MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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ATOM 11 CD PRO A 2 -17.888 28.234 0.859 1.00 86.75 C
HETATM 12 N HYP A 3 -17.899 23.693 0.595 1.00 94.17 N
HETATM 13 CA HYP A 3 -17.112 22.498 1.061 1.00 91.87 C
HETATM 14 C HYP A 3 -15.617 22.730 0.908 1.00 94.68 C
HETATM 15 O HYP A 3 -15.175 23.414 -0.046 1.00 92.46 O
HETATM 16 CB HYP A 3 -17.606 21.391 0.145 1.00 90.97 C
HETATM 17 CG HYP A 3 -18.987 21.824 -0.349 1.00 89.69 C
HETATM 18 CD HYP A 3 -18.815 23.344 -0.486 1.00 92.92 C
HETATM 19 OD1 HYP A 3 -19.995 21.551 0.570 1.00 90.33 O
ATOM 20 N GLY A 4 -14.839 22.190 1.847 1.00 91.62 N
ATOM 21 CA GLY A 4 -13.401 22.324 1.787 1.00 90.88 C
ATOM 22 C GLY A 4 -12.822 21.448 0.682 1.00 91.24 C
ATOM 23 O GLY A 4 -13.536 20.651 0.068 1.00 90.14 O
ATOM 24 N PRO A 5 -11.517 21.582 0.424 1.00 93.14 N
ATOM 25 CA PRO A 5 -10.882 20.787 -0.621 1.00 93.07 C
ATOM 26 C PRO A 5 -10.808 19.312 -0.224 1.00 93.20 C
ATOM 27 O PRO A 5 -10.844 18.977 0.955 1.00 92.26 O
ATOM 28 CB PRO A 5 -9.494 21.411 -0.754 1.00 91.13 C
ATOM 29 CG PRO A 5 -9.235 21.959 0.612 1.00 89.05 C
ATOM 30 CD PRO A 5 -10.573 22.486 1.066 1.00 90.74 C
HETATM 31 N HYP A 6 -10.714 18.471 -1.200 1.00 93.46 N
HETATM 32 CA HYP A 6 -10.495 17.013 -0.925 1.00 93.07 C
HETATM 33 C HYP A 6 -9.272 16.732 -0.130 1.00 92.57 C
HETATM 34 O HYP A 6 -8.264 17.480 -0.264 1.00 90.53 O
HETATM 35 CB HYP A 6 -10.438 16.408 -2.335 1.00 89.49 C
HETATM 36 CG HYP A 6 -11.234 17.368 -3.196 1.00 88.63 C
HETATM 37 CD HYP A 6 -10.869 18.716 -2.595 1.00 92.15 C
HETATM 38 OD1 HYP A 6 -12.613 17.134 -3.089 1.00 88.70 O
ATOM 39 N GLY A 7 -9.307 15.724 0.762 1.00 94.02 N
ATOM 40 CA GLY A 7 -8.170 15.371 1.584 1.00 93.45 C
ATOM 41 C GLY A 7 -7.064 14.739 0.750 1.00 93.93 C
ATOM 42 O GLY A 7 -7.241 14.463 -0.437 1.00 93.59 O
ATOM 43 N PRO A 8 -5.895 14.501 1.373 1.00 91.04 N
ATOM 44 CA PRO A 8 -4.772 13.902 0.658 1.00 91.09 C
ATOM 45 C PRO A 8 -5.042 12.427 0.343 1.00 91.13 C
ATOM 46 O PRO A 8 -5.862 11.789 0.994 1.00 89.93 O
ATOM 47 CB PRO A 8 -3.609 14.071 1.629 1.00 89.19 C
ATOM 48 CG PRO A 8 -4.277 14.033 2.966 1.00 88.17 C
ATOM 49 CD PRO A 8 -5.565 14.792 2.762 1.00 89.92 C
HETATM 50 N HYP A 9 -4.353 11.891 -0.594 1.00 93.37 N
HETATM 51 CA HYP A 9 -4.427 10.457 -0.941 1.00 91.55 C
HETATM 52 C HYP A 9 -4.004 9.596 0.193 1.00 93.26 C
HETATM 53 O HYP A 9 -3.131 10.001 0.985 1.00 89.80 O
HETATM 54 CB HYP A 9 -3.393 10.319 -2.125 1.00 89.91 C
HETATM 55 CG HYP A 9 -3.353 11.689 -2.717 1.00 87.85 C
HETATM 56 CD HYP A 9 -3.522 12.594 -1.506 1.00 89.88 C
HETATM 57 OD1 HYP A 9 -4.434 11.877 -3.602 1.00 83.58 O
ATOM 58 N GLY A 10 -4.593 8.409 0.322 1.00 93.79 N
ATOM 59 CA GLY A 10 -4.244 7.489 1.378 1.00 92.30 C
ATOM 60 C GLY A 10 -2.820 6.991 1.226 1.00 92.50 C
ATOM 61 O GLY A 10 -2.203 7.116 0.161 1.00 91.56 O
ATOM 62 N ALA A 11 -2.284 6.424 2.310 1.00 91.37 N
ATOM 63 CA ALA A 11 -0.927 5.898 2.293 1.00 90.89 C
ATOM 64 C ALA A 11 -0.822 4.675 1.390 1.00 90.72 C
ATOM 65 O ALA A 11 -1.763 3.893 1.269 1.00 87.69 O
ATOM 66 CB ALA A 11 -0.501 5.533 3.710 1.00 87.73 C
ATOM 67 N MET A 12 0.352 4.501 0.762 1.00 88.24 N
ATOM 68 CA MET A 12 0.589 3.329 -0.071 1.00 87.17 C
ATOM 69 C MET A 12 0.570 2.084 0.812 1.00 88.04 C
ATOM 70 O MET A 12 0.994 2.128 1.966 1.00 81.96 O
ATOM 71 CB MET A 12 1.945 3.461 -0.783 1.00 82.05 C
ATOM 72 CG MET A 12 2.223 2.363 -1.792 1.00 77.82 C
ATOM 73 SD MET A 12 3.733 2.663 -2.729 1.00 73.69 S
ATOM 74 CE MET A 12 3.253 4.078 -3.684 1.00 68.87 C
ATOM 75 N GLY A 13 0.051 1.000 0.258 1.00 92.08 N
ATOM 76 CA GLY A 13 -0.030 -0.243 1.007 1.00 90.76 C
ATOM 77 C GLY A 13 1.327 -0.827 1.357 1.00 92.03 C
ATOM 78 O GLY A 13 2.356 -0.380 0.830 1.00 92.05 O
ATOM 79 N PRO A 14 1.370 -1.831 2.246 1.00 90.62 N
ATOM 80 CA PRO A 14 2.633 -2.445 2.647 1.00 90.95 C
ATOM 81 C PRO A 14 3.229 -3.277 1.522 1.00 91.44 C
ATOM 82 O PRO A 14 2.522 -3.688 0.605 1.00 90.54 O
ATOM 83 CB PRO A 14 2.239 -3.316 3.838 1.00 89.21 C
ATOM 84 CG PRO A 14 0.830 -3.688 3.539 1.00 88.20 C
ATOM 85 CD PRO A 14 0.235 -2.435 2.936 1.00 89.66 C
HETATM 86 N HYP A 15 4.511 -3.547 1.615 1.00 89.86 N
HETATM 87 CA HYP A 15 5.195 -4.418 0.655 1.00 91.47 C
HETATM 88 C HYP A 15 4.609 -5.824 0.630 1.00 93.18 C
HETATM 89 O HYP A 15 4.054 -6.278 1.657 1.00 86.17 O
HETATM 90 CB HYP A 15 6.624 -4.442 1.230 1.00 88.42 C
HETATM 91 CG HYP A 15 6.753 -3.143 2.007 1.00 84.83 C
HETATM 92 CD HYP A 15 5.385 -2.973 2.581 1.00 88.39 C
HETATM 93 OD1 HYP A 15 7.038 -2.053 1.159 1.00 87.48 O
ATOM 94 N GLY A 16 4.652 -6.467 -0.490 1.00 94.11 N
ATOM 95 CA GLY A 16 4.182 -7.825 -0.584 1.00 93.48 C
ATOM 96 C GLY A 16 5.103 -8.760 0.182 1.00 94.22 C
ATOM 97 O GLY A 16 6.159 -8.351 0.667 1.00 94.10 O
ATOM 98 N PRO A 17 4.716 -10.052 0.302 1.00 91.60 N
ATOM 99 CA PRO A 17 5.537 -11.011 1.031 1.00 92.17 C
ATOM 100 C PRO A 17 6.841 -11.301 0.299 1.00 92.43 C
ATOM 101 O PRO A 17 6.931 -11.141 -0.909 1.00 91.75 O
ATOM 102 CB PRO A 17 4.646 -12.249 1.119 1.00 90.15 C
ATOM 103 CG PRO A 17 3.775 -12.134 -0.085 1.00 87.47 C
ATOM 104 CD PRO A 17 3.492 -10.661 -0.217 1.00 88.92 C
HETATM 105 N HYP A 18 7.839 -11.773 1.032 1.00 93.36 N
HETATM 106 CA HYP A 18 9.119 -12.136 0.435 1.00 93.39 C
HETATM 107 C HYP A 18 8.985 -13.270 -0.570 1.00 93.55 C
HETATM 108 O HYP A 18 8.113 -14.157 -0.412 1.00 90.70 O
HETATM 109 CB HYP A 18 9.909 -12.631 1.655 1.00 91.46 C
HETATM 110 CG HYP A 18 9.319 -11.940 2.843 1.00 90.36 C

ATOM 11 CD PRO A 2 -17.888 28.234 0.859 1.00 86.75 C

HETATM 12 N HYP A 3 -17.899 23.693 0.595 1.00 94.17 N

HETATM 13 CA HYP A 3 -17.112 22.498 1.061 1.00 91.87 C

HETATM 14 C HYP A 3 -15.617 22.730 0.908 1.00 94.68 C

HETATM 15 O HYP A 3 -15.175 23.414 -0.046 1.00 92.46 O

HETATM 16 CB HYP A 3 -17.606 21.391 0.145 1.00 90.97 C

HETATM 17 CG HYP A 3 -18.987 21.824 -0.349 1.00 89.69 C

HETATM 18 CD HYP A 3 -18.815 23.344 -0.486 1.00 92.92 C

HETATM 19 OD1 HYP A 3 -19.995 21.551 0.570 1.00 90.33 O

ATOM 20 N GLY A 4 -14.839 22.190 1.847 1.00 91.62 N

ATOM 21 CA GLY A 4 -13.401 22.324 1.787 1.00 90.88 C

ATOM 22 C GLY A 4 -12.822 21.448 0.682 1.00 91.24 C

ATOM 23 O GLY A 4 -13.536 20.651 0.068 1.00 90.14 O

ATOM 24 N PRO A 5 -11.517 21.582 0.424 1.00 93.14 N

ATOM 25 CA PRO A 5 -10.882 20.787 -0.621 1.00 93.07 C

ATOM 26 C PRO A 5 -10.808 19.312 -0.224 1.00 93.20 C

ATOM 27 O PRO A 5 -10.844 18.977 0.955 1.00 92.26 O

ATOM 28 CB PRO A 5 -9.494 21.411 -0.754 1.00 91.13 C

ATOM 29 CG PRO A 5 -9.235 21.959 0.612 1.00 89.05 C

ATOM 30 CD PRO A 5 -10.573 22.486 1.066 1.00 90.74 C

HETATM 31 N HYP A 6 -10.714 18.471 -1.200 1.00 93.46 N

HETATM 32 CA HYP A 6 -10.495 17.013 -0.925 1.00 93.07 C

HETATM 33 C HYP A 6 -9.272 16.732 -0.130 1.00 92.57 C

HETATM 34 O HYP A 6 -8.264 17.480 -0.264 1.00 90.53 O

HETATM 35 CB HYP A 6 -10.438 16.408 -2.335 1.00 89.49 C

HETATM 36 CG HYP A 6 -11.234 17.368 -3.196 1.00 88.63 C

HETATM 37 CD HYP A 6 -10.869 18.716 -2.595 1.00 92.15 C

HETATM 38 OD1 HYP A 6 -12.613 17.134 -3.089 1.00 88.70 O

ATOM 39 N GLY A 7 -9.307 15.724 0.762 1.00 94.02 N

ATOM 40 CA GLY A 7 -8.170 15.371 1.584 1.00 93.45 C

ATOM 41 C GLY A 7 -7.064 14.739 0.750 1.00 93.93 C

ATOM 42 O GLY A 7 -7.241 14.463 -0.437 1.00 93.59 O

ATOM 43 N PRO A 8 -5.895 14.501 1.373 1.00 91.04 N

ATOM 44 CA PRO A 8 -4.772 13.902 0.658 1.00 91.09 C

ATOM 45 C PRO A 8 -5.042 12.427 0.343 1.00 91.13 C

ATOM 46 O PRO A 8 -5.862 11.789 0.994 1.00 89.93 O

ATOM 47 CB PRO A 8 -3.609 14.071 1.629 1.00 89.19 C

ATOM 48 CG PRO A 8 -4.277 14.033 2.966 1.00 88.17 C

ATOM 49 CD PRO A 8 -5.565 14.792 2.762 1.00 89.92 C

HETATM 50 N HYP A 9 -4.353 11.891 -0.594 1.00 93.37 N

HETATM 51 CA HYP A 9 -4.427 10.457 -0.941 1.00 91.55 C

HETATM 52 C HYP A 9 -4.004 9.596 0.193 1.00 93.26 C

HETATM 53 O HYP A 9 -3.131 10.001 0.985 1.00 89.80 O

HETATM 54 CB HYP A 9 -3.393 10.319 -2.125 1.00 89.91 C

HETATM 55 CG HYP A 9 -3.353 11.689 -2.717 1.00 87.85 C

HETATM 56 CD HYP A 9 -3.522 12.594 -1.506 1.00 89.88 C

HETATM 57 OD1 HYP A 9 -4.434 11.877 -3.602 1.00 83.58 O

ATOM 58 N GLY A 10 -4.593 8.409 0.322 1.00 93.79 N

ATOM 59 CA GLY A 10 -4.244 7.489 1.378 1.00 92.30 C

ATOM 60 C GLY A 10 -2.820 6.991 1.226 1.00 92.50 C

ATOM 61 O GLY A 10 -2.203 7.116 0.161 1.00 91.56 O

ATOM 62 N ALA A 11 -2.284 6.424 2.310 1.00 91.37 N

ATOM 63 CA ALA A 11 -0.927 5.898 2.293 1.00 90.89 C

ATOM 64 C ALA A 11 -0.822 4.675 1.390 1.00 90.72 C

ATOM 65 O ALA A 11 -1.763 3.893 1.269 1.00 87.69 O

ATOM 66 CB ALA A 11 -0.501 5.533 3.710 1.00 87.73 C

ATOM 67 N MET A 12 0.352 4.501 0.762 1.00 88.24 N

ATOM 68 CA MET A 12 0.589 3.329 -0.071 1.00 87.17 C

ATOM 69 C MET A 12 0.570 2.084 0.812 1.00 88.04 C

ATOM 70 O MET A 12 0.994 2.128 1.966 1.00 81.96 O

ATOM 71 CB MET A 12 1.945 3.461 -0.783 1.00 82.05 C

ATOM 72 CG MET A 12 2.223 2.363 -1.792 1.00 77.82 C

ATOM 73 SD MET A 12 3.733 2.663 -2.729 1.00 73.69 S

ATOM 74 CE MET A 12 3.253 4.078 -3.684 1.00 68.87 C

ATOM 75 N GLY A 13 0.051 1.000 0.258 1.00 92.08 N

ATOM 76 CA GLY A 13 -0.030 -0.243 1.007 1.00 90.76 C

ATOM 77 C GLY A 13 1.327 -0.827 1.357 1.00 92.03 C

ATOM 78 O GLY A 13 2.356 -0.380 0.830 1.00 92.05 O

ATOM 79 N PRO A 14 1.370 -1.831 2.246 1.00 90.62 N

ATOM 80 CA PRO A 14 2.633 -2.445 2.647 1.00 90.95 C

ATOM 81 C PRO A 14 3.229 -3.277 1.522 1.00 91.44 C

ATOM 82 O PRO A 14 2.522 -3.688 0.605 1.00 90.54 O

ATOM 83 CB PRO A 14 2.239 -3.316 3.838 1.00 89.21 C

ATOM 84 CG PRO A 14 0.830 -3.688 3.539 1.00 88.20 C

ATOM 85 CD PRO A 14 0.235 -2.435 2.936 1.00 89.66 C

HETATM 86 N HYP A 15 4.511 -3.547 1.615 1.00 89.86 N

HETATM 87 CA HYP A 15 5.195 -4.418 0.655 1.00 91.47 C

HETATM 88 C HYP A 15 4.609 -5.824 0.630 1.00 93.18 C

HETATM 89 O HYP A 15 4.054 -6.278 1.657 1.00 86.17 O

HETATM 90 CB HYP A 15 6.624 -4.442 1.230 1.00 88.42 C

HETATM 91 CG HYP A 15 6.753 -3.143 2.007 1.00 84.83 C

HETATM 92 CD HYP A 15 5.385 -2.973 2.581 1.00 88.39 C

HETATM 93 OD1 HYP A 15 7.038 -2.053 1.159 1.00 87.48 O

ATOM 94 N GLY A 16 4.652 -6.467 -0.490 1.00 94.11 N

ATOM 95 CA GLY A 16 4.182 -7.825 -0.584 1.00 93.48 C

ATOM 96 C GLY A 16 5.103 -8.760 0.182 1.00 94.22 C

ATOM 97 O GLY A 16 6.159 -8.351 0.667 1.00 94.10 O

ATOM 98 N PRO A 17 4.716 -10.052 0.302 1.00 91.60 N

ATOM 99 CA PRO A 17 5.537 -11.011 1.031 1.00 92.17 C

ATOM 100 C PRO A 17 6.841 -11.301 0.299 1.00 92.43 C

ATOM 101 O PRO A 17 6.931 -11.141 -0.909 1.00 91.75 O

ATOM 102 CB PRO A 17 4.646 -12.249 1.119 1.00 90.15 C

ATOM 103 CG PRO A 17 3.775 -12.134 -0.085 1.00 87.47 C

ATOM 104 CD PRO A 17 3.492 -10.661 -0.217 1.00 88.92 C

HETATM 105 N HYP A 18 7.839 -11.773 1.032 1.00 93.36 N

HETATM 106 CA HYP A 18 9.119 -12.136 0.435 1.00 93.39 C

HETATM 107 C HYP A 18 8.985 -13.270 -0.570 1.00 93.55 C

HETATM 108 O HYP A 18 8.113 -14.157 -0.412 1.00 90.70 O

HETATM 109 CB HYP A 18 9.909 -12.631 1.655 1.00 91.46 C

HETATM 110 CG HYP A 18 9.319 -11.940 2.843 1.00 90.36 C