REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jff_1_A DATA FIRST_RESID 2 DATA SEQUENCE RECISIHVGQ AGVQIGNACW ELYCLEHGIQ PDGXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXH VPRAVFVDLE PTVIDEVRTG TYRQLFHPEQ LITGKEDAAN DATA SEQUENCE NYARGHYTIG KEIIDLVLDR IRKLADQCTG LQGFSVFHSF GGGTGSGFTS DATA SEQUENCE LLMERLSVDY GKKSKLEFSI YPAPQVSTAV VEPYNSILTT HTTLEHSDCA DATA SEQUENCE FMVDNEAIYD ICRRNLDIER PTYTNLNRLI GQIVSSITAS LRFDGALNVD DATA SEQUENCE LTEFQTNLVP YPRGHFPLAT YAPVISAEKA YHEQLSVAEI TNACFEPANQ DATA SEQUENCE MVKCDPRHGK YMACCLLYRG DVVPKDVNAA IATIKTKRTI QFVDWCPTGF DATA SEQUENCE KVGINYEPPT VVPGGDLAKV QRAVCMLSNT TAIAEAWARL DHKFDLMYAK DATA SEQUENCE RAFVHWYVGE GMEEGEFSEA REDMAALEKD YEEVGVDS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.304 176.300 0.007 0.000 0.893 2 R CA 0.000 56.106 56.100 0.009 0.000 0.921 2 R CB 0.000 30.308 30.300 0.013 0.000 0.687 3 E N 0.219 120.414 120.200 -0.007 0.000 2.602 3 E HA 0.313 4.680 4.350 0.028 0.000 0.255 3 E C -1.019 175.560 176.600 -0.035 0.000 1.268 3 E CA -0.139 56.259 56.400 -0.004 0.000 1.007 3 E CB 1.756 31.458 29.700 0.004 0.000 1.208 3 E HN 0.210 nan 8.360 nan 0.000 0.584 4 C N 1.852 121.144 119.300 -0.012 0.000 2.982 4 C HA 0.380 4.857 4.460 0.028 0.000 0.372 4 C C -0.286 174.724 174.990 0.032 0.000 1.061 4 C CA -0.602 58.389 59.018 -0.044 0.000 1.309 4 C CB -1.239 26.500 27.740 -0.002 0.000 1.766 4 C HN 0.585 nan 8.230 nan 0.000 0.504 5 I N 4.117 124.678 120.570 -0.015 0.000 3.246 5 I HA 0.318 4.505 4.170 0.028 0.000 0.280 5 I C 0.689 176.891 176.117 0.141 0.000 1.239 5 I CA 0.861 62.221 61.300 0.101 0.000 1.336 5 I CB 0.949 39.042 38.000 0.154 0.000 1.383 5 I HN 0.821 nan 8.210 nan 0.000 0.617 6 S N 3.821 119.585 115.700 0.107 0.000 2.572 6 S HA 0.630 5.118 4.470 0.028 0.000 0.274 6 S C -0.647 173.840 174.600 -0.189 0.000 1.150 6 S CA -0.859 57.340 58.200 -0.002 0.000 0.944 6 S CB 1.544 64.822 63.200 0.129 0.000 1.071 6 S HN 0.519 nan 8.310 nan 0.000 0.479 7 I N -0.239 120.201 120.570 -0.216 0.000 2.437 7 I HA 0.510 4.697 4.170 0.028 0.000 0.279 7 I C -1.304 174.706 176.117 -0.178 0.000 1.028 7 I CA -0.767 60.417 61.300 -0.192 0.000 1.142 7 I CB 0.338 38.285 38.000 -0.088 0.000 1.266 7 I HN 0.612 nan 8.210 nan 0.000 0.461 8 H N 4.753 123.752 119.070 -0.118 0.000 2.846 8 H HA 0.419 4.992 4.556 0.028 0.000 0.278 8 H C -0.199 175.158 175.328 0.047 0.000 1.117 8 H CA -0.297 55.769 56.048 0.030 0.000 1.406 8 H CB 1.228 30.915 29.762 -0.126 0.000 1.445 8 H HN 0.508 nan 8.280 nan 0.000 0.469 9 V N 3.737 123.771 119.914 0.199 0.000 2.483 9 V HA 0.744 4.881 4.120 0.028 0.000 0.295 9 V C 0.324 176.500 176.094 0.138 0.000 1.035 9 V CA 0.447 62.816 62.300 0.115 0.000 0.896 9 V CB 0.931 32.855 31.823 0.167 0.000 0.986 9 V HN 1.108 nan 8.190 nan 0.000 0.447 10 G N 4.456 113.276 108.800 0.033 0.000 2.785 10 G HA2 -0.178 3.800 3.960 0.028 0.000 0.686 10 G HA3 -0.178 3.800 3.960 0.028 0.000 0.686 10 G C 0.150 175.066 174.900 0.026 0.000 1.155 10 G CA 0.445 45.571 45.100 0.042 0.000 0.760 10 G HN 1.240 nan 8.290 nan 0.000 0.624 11 Q N 1.091 120.888 119.800 -0.005 0.000 2.047 11 Q HA -0.230 4.127 4.340 0.028 0.000 0.211 11 Q C 2.927 178.904 176.000 -0.038 0.000 1.005 11 Q CA 3.604 59.389 55.803 -0.030 0.000 0.866 11 Q CB -0.344 28.376 28.738 -0.030 0.000 0.938 11 Q HN 1.763 nan 8.270 nan 0.000 0.414 12 A N 0.548 123.345 122.820 -0.037 0.000 1.849 12 A HA -0.191 4.146 4.320 0.028 0.000 0.217 12 A C 2.388 179.954 177.584 -0.030 0.000 1.202 12 A CA 2.057 54.043 52.037 -0.086 0.000 0.629 12 A CB -1.803 17.148 19.000 -0.081 0.000 0.834 12 A HN 0.684 nan 8.150 nan 0.000 0.447 13 G N -1.312 107.531 108.800 0.072 0.000 2.516 13 G HA2 -0.070 3.907 3.960 0.028 0.000 0.221 13 G HA3 -0.070 3.907 3.960 0.028 0.000 0.221 13 G C 1.306 176.300 174.900 0.156 0.000 1.107 13 G CA 1.329 46.533 45.100 0.173 0.000 0.747 13 G HN 0.389 nan 8.290 nan 0.000 0.567 14 V N -0.317 119.644 119.914 0.079 0.000 2.685 14 V HA -0.084 4.053 4.120 0.028 0.000 0.244 14 V C 2.742 178.768 176.094 -0.114 0.000 1.054 14 V CA 1.525 63.854 62.300 0.048 0.000 1.076 14 V CB -0.076 31.745 31.823 -0.003 0.000 0.725 14 V HN 0.410 nan 8.190 nan 0.000 0.467 15 Q N -0.120 119.606 119.800 -0.124 0.000 2.046 15 Q HA -0.129 4.228 4.340 0.028 0.000 0.200 15 Q C 2.350 178.245 176.000 -0.174 0.000 0.975 15 Q CA 1.922 57.631 55.803 -0.156 0.000 0.836 15 Q CB -0.191 28.452 28.738 -0.158 0.000 0.896 15 Q HN 0.598 nan 8.270 nan 0.000 0.428 16 I N 0.925 121.390 120.570 -0.176 0.000 2.286 16 I HA -0.187 4.000 4.170 0.028 0.000 0.248 16 I C 1.991 177.927 176.117 -0.301 0.000 1.115 16 I CA 1.411 62.576 61.300 -0.225 0.000 1.392 16 I CB -0.364 37.516 38.000 -0.199 0.000 1.065 16 I HN 0.218 nan 8.210 nan 0.000 0.418 17 G N 0.617 109.265 108.800 -0.253 0.000 2.433 17 G HA2 -0.381 3.596 3.960 0.028 0.000 0.216 17 G HA3 -0.381 3.596 3.960 0.028 0.000 0.216 17 G C 1.368 176.125 174.900 -0.239 0.000 1.186 17 G CA 1.152 46.036 45.100 -0.360 0.000 0.779 17 G HN 0.461 nan 8.290 nan 0.000 0.543 18 N N 0.763 119.329 118.700 -0.224 0.000 2.137 18 N HA -0.050 4.708 4.740 0.028 0.000 0.190 18 N C 2.310 177.699 175.510 -0.203 0.000 1.017 18 N CA 1.675 54.603 53.050 -0.203 0.000 0.859 18 N CB -0.234 38.105 38.487 -0.245 0.000 1.002 18 N HN 0.309 nan 8.380 nan 0.000 0.428 19 A N -0.092 122.599 122.820 -0.216 0.000 1.840 19 A HA -0.145 4.192 4.320 0.028 0.000 0.214 19 A C 2.735 180.152 177.584 -0.279 0.000 1.198 19 A CA 1.477 53.377 52.037 -0.228 0.000 0.608 19 A CB -1.495 17.385 19.000 -0.200 0.000 0.839 19 A HN 0.639 nan 8.150 nan 0.000 0.443 20 C N -1.541 117.563 119.300 -0.326 0.000 2.413 20 C HA -0.132 4.345 4.460 0.028 0.000 0.277 20 C C 2.453 177.061 174.990 -0.636 0.000 1.265 20 C CA 1.152 59.891 59.018 -0.465 0.000 1.752 20 C CB -1.582 25.852 27.740 -0.510 0.000 1.998 20 C HN 0.687 nan 8.230 nan 0.000 0.489 21 W N 1.014 121.984 121.300 -0.551 0.000 2.467 21 W HA -0.022 4.655 4.660 0.029 0.000 0.275 21 W C 2.490 178.794 176.519 -0.359 0.000 1.239 21 W CA 1.606 58.717 57.345 -0.390 0.000 1.266 21 W CB -0.286 29.116 29.460 -0.097 0.000 1.112 21 W HN 0.630 nan 8.180 nan 0.000 0.576 22 E N 0.599 120.549 120.200 -0.417 0.000 2.008 22 E HA -0.247 4.120 4.350 0.028 0.000 0.191 22 E C 2.274 178.741 176.600 -0.222 0.000 0.986 22 E CA 1.173 57.248 56.400 -0.541 0.000 0.807 22 E CB -0.708 28.700 29.700 -0.487 0.000 0.766 22 E HN 0.003 nan 8.360 nan 0.000 0.450 23 L N 0.836 121.935 121.223 -0.208 0.000 2.123 23 L HA -0.284 4.073 4.340 0.028 0.000 0.217 23 L C 1.986 178.842 176.870 -0.024 0.000 1.081 23 L CA 1.848 56.624 54.840 -0.106 0.000 0.772 23 L CB -0.696 41.286 42.059 -0.129 0.000 0.890 23 L HN 0.388 nan 8.230 nan 0.000 0.437 24 Y N -0.794 119.334 120.300 -0.287 0.000 2.009 24 Y HA -0.460 4.107 4.550 0.029 0.000 0.260 24 Y C 2.966 178.713 175.900 -0.255 0.000 1.118 24 Y CA 1.445 59.321 58.100 -0.374 0.000 1.087 24 Y CB -0.991 37.111 38.460 -0.596 0.000 0.970 24 Y HN 0.544 nan 8.280 nan 0.000 0.481 25 C N 0.405 119.742 119.300 0.062 0.000 2.392 25 C HA -0.236 4.241 4.460 0.028 0.000 0.276 25 C C 2.479 177.529 174.990 0.100 0.000 1.212 25 C CA 0.670 59.757 59.018 0.115 0.000 1.791 25 C CB -1.792 26.070 27.740 0.203 0.000 2.063 25 C HN 0.668 nan 8.230 nan 0.000 0.481 26 L N 2.736 124.013 121.223 0.090 0.000 2.129 26 L HA -0.140 4.217 4.340 0.028 0.000 0.212 26 L C 2.487 179.385 176.870 0.046 0.000 1.087 26 L CA 2.625 57.509 54.840 0.074 0.000 0.757 26 L CB -0.915 41.181 42.059 0.061 0.000 0.896 26 L HN 0.764 nan 8.230 nan 0.000 0.434 27 E N -3.305 116.892 120.200 -0.004 0.000 2.569 27 E HA 0.030 4.397 4.350 0.028 0.000 0.205 27 E C 0.479 177.100 176.600 0.035 0.000 1.006 27 E CA 0.016 56.411 56.400 -0.009 0.000 0.985 27 E CB -0.305 29.363 29.700 -0.054 0.000 1.060 27 E HN 0.676 nan 8.360 nan 0.000 0.460 28 H N -0.462 118.608 119.070 0.001 0.000 3.230 28 H HA 0.228 4.801 4.556 0.029 0.000 0.259 28 H C 0.660 175.973 175.328 -0.024 0.000 1.195 28 H CA -0.205 55.818 56.048 -0.040 0.000 1.112 28 H CB 1.476 31.189 29.762 -0.082 0.000 1.638 28 H HN 0.359 nan 8.280 nan 0.000 0.624 29 G N 2.037 110.905 108.800 0.113 0.000 2.283 29 G HA2 -0.293 3.684 3.960 0.028 0.000 0.280 29 G HA3 -0.293 3.684 3.960 0.028 0.000 0.280 29 G C 0.054 174.984 174.900 0.051 0.000 1.029 29 G CA 0.459 45.597 45.100 0.063 0.000 0.840 29 G HN 0.419 nan 8.290 nan 0.000 0.505 30 I N 0.866 121.480 120.570 0.073 0.000 2.503 30 I HA 0.179 4.366 4.170 0.028 0.000 0.277 30 I C 0.993 177.143 176.117 0.056 0.000 1.078 30 I CA -0.702 60.635 61.300 0.061 0.000 1.184 30 I CB 0.632 38.681 38.000 0.081 0.000 1.353 30 I HN 0.243 nan 8.210 nan 0.000 0.490 31 Q N 5.265 125.079 119.800 0.023 0.000 3.067 31 Q HA -0.030 4.327 4.340 0.028 0.000 0.206 31 Q C -1.242 174.720 176.000 -0.064 0.000 1.160 31 Q CA -0.757 55.036 55.803 -0.017 0.000 1.181 31 Q CB -0.114 28.611 28.738 -0.022 0.000 1.354 31 Q HN 0.307 nan 8.270 nan 0.000 0.675 32 P HA -0.242 nan 4.420 nan 0.000 0.224 32 P C -0.622 176.612 177.300 -0.111 0.000 1.153 32 P CA 1.682 64.644 63.100 -0.230 0.000 0.947 32 P CB 0.158 31.744 31.700 -0.190 0.000 0.790 33 D N -0.694 119.673 120.400 -0.056 0.000 2.464 33 D HA 0.384 5.041 4.640 0.028 0.000 0.243 33 D C 0.458 176.762 176.300 0.008 0.000 1.104 33 D CA -0.046 53.945 54.000 -0.014 0.000 0.883 33 D CB 1.180 41.973 40.800 -0.012 0.000 1.050 33 D HN 0.048 nan 8.370 nan 0.000 0.524 62 V N 3.033 122.857 119.914 -0.150 0.000 2.823 62 V HA 0.274 4.411 4.120 0.028 0.000 0.296 62 V C -2.073 173.917 176.094 -0.173 0.000 1.250 62 V CA -0.969 61.206 62.300 -0.208 0.000 0.939 62 V CB 1.785 33.400 31.823 -0.347 0.000 1.062 62 V HN 0.485 nan 8.190 nan 0.000 0.433 63 P HA 0.303 nan 4.420 nan 0.000 0.313 63 P C -0.403 177.006 177.300 0.183 0.000 1.332 63 P CA -0.037 63.218 63.100 0.259 0.000 0.777 63 P CB 0.345 32.226 31.700 0.302 0.000 1.599 64 R N -2.124 118.564 120.500 0.314 0.000 2.410 64 R HA 0.674 5.032 4.340 0.028 0.000 0.288 64 R C -0.597 175.801 176.300 0.163 0.000 1.023 64 R CA -0.204 56.012 56.100 0.193 0.000 1.161 64 R CB -0.012 30.418 30.300 0.217 0.000 1.390 64 R HN 0.497 nan 8.270 nan 0.000 0.703 65 A N 0.434 123.267 122.820 0.022 0.000 2.534 65 A HA 0.859 5.196 4.320 0.028 0.000 0.300 65 A C -1.059 176.403 177.584 -0.203 0.000 1.223 65 A CA -0.408 51.547 52.037 -0.137 0.000 0.666 65 A CB 1.480 20.259 19.000 -0.369 0.000 1.316 65 A HN 0.243 nan 8.150 nan 0.000 0.468 66 V N -3.333 116.379 119.914 -0.337 0.000 3.181 66 V HA 0.935 5.072 4.120 0.028 0.000 0.308 66 V C -1.503 174.241 176.094 -0.583 0.000 1.214 66 V CA -1.009 61.113 62.300 -0.295 0.000 1.053 66 V CB 1.790 33.556 31.823 -0.095 0.000 1.069 66 V HN 0.906 nan 8.190 nan 0.000 0.441 67 F N 0.899 120.812 119.950 -0.062 0.000 2.539 67 F HA 0.788 5.332 4.527 0.028 0.000 0.328 67 F C -0.259 175.463 175.800 -0.130 0.000 1.148 67 F CA -0.751 57.182 58.000 -0.111 0.000 0.940 67 F CB 2.299 41.154 39.000 -0.242 0.000 1.194 67 F HN 0.454 nan 8.300 nan 0.000 0.438 68 V N 2.099 122.005 119.914 -0.013 0.000 2.555 68 V HA 0.724 4.862 4.120 0.028 0.000 0.302 68 V C -1.040 174.904 176.094 -0.251 0.000 1.038 68 V CA -0.541 61.630 62.300 -0.215 0.000 0.887 68 V CB 1.948 33.473 31.823 -0.497 0.000 0.991 68 V HN 0.694 nan 8.190 nan 0.000 0.434 69 D N 2.271 122.515 120.400 -0.260 0.000 2.706 69 D HA 0.329 4.986 4.640 0.028 0.000 0.227 69 D C -0.352 175.850 176.300 -0.165 0.000 1.233 69 D CA -0.543 53.338 54.000 -0.198 0.000 0.768 69 D CB 1.885 42.617 40.800 -0.114 0.000 1.490 69 D HN 0.357 nan 8.370 nan 0.000 0.458 70 L N 1.387 122.533 121.223 -0.128 0.000 2.700 70 L HA 0.368 4.725 4.340 0.028 0.000 0.234 70 L C 0.533 177.369 176.870 -0.056 0.000 1.156 70 L CA 0.094 54.885 54.840 -0.081 0.000 0.946 70 L CB 0.184 42.210 42.059 -0.054 0.000 1.216 70 L HN 0.287 nan 8.230 nan 0.000 0.493 71 E N 1.601 121.764 120.200 -0.061 0.000 2.235 71 E HA 0.203 4.570 4.350 0.028 0.000 0.252 71 E C -1.787 174.779 176.600 -0.056 0.000 0.886 71 E CA -1.797 54.573 56.400 -0.049 0.000 0.767 71 E CB 2.118 31.792 29.700 -0.043 0.000 1.205 71 E HN -0.132 nan 8.360 nan 0.000 0.421 72 P HA -0.208 nan 4.420 nan 0.000 0.214 72 P C 1.198 178.462 177.300 -0.061 0.000 1.163 72 P CA 1.422 64.489 63.100 -0.055 0.000 0.889 72 P CB 0.129 31.804 31.700 -0.042 0.000 0.790 73 T N 0.180 114.704 114.554 -0.050 0.000 2.792 73 T HA -0.120 4.247 4.350 0.028 0.000 0.268 73 T C 1.889 176.550 174.700 -0.065 0.000 1.059 73 T CA 1.638 63.707 62.100 -0.050 0.000 1.136 73 T CB -0.838 68.007 68.868 -0.037 0.000 0.846 73 T HN -0.031 nan 8.240 nan 0.000 0.489 74 V N 0.848 120.718 119.914 -0.074 0.000 2.446 74 V HA -0.014 4.123 4.120 0.028 0.000 0.244 74 V C 2.354 178.362 176.094 -0.144 0.000 1.039 74 V CA 0.826 63.071 62.300 -0.093 0.000 1.045 74 V CB -0.368 31.407 31.823 -0.080 0.000 0.681 74 V HN 0.406 nan 8.190 nan 0.000 0.459 75 I N 0.588 121.067 120.570 -0.151 0.000 2.546 75 I HA -0.145 4.042 4.170 0.028 0.000 0.255 75 I C 2.080 178.067 176.117 -0.217 0.000 1.163 75 I CA 1.366 62.534 61.300 -0.219 0.000 1.457 75 I CB -1.251 36.651 38.000 -0.164 0.000 1.092 75 I HN 0.329 nan 8.210 nan 0.000 0.434 76 D N 1.031 121.345 120.400 -0.144 0.000 2.144 76 D HA -0.172 4.485 4.640 0.028 0.000 0.199 76 D C 2.016 178.240 176.300 -0.126 0.000 0.984 76 D CA 0.863 54.794 54.000 -0.115 0.000 0.834 76 D CB 0.083 40.837 40.800 -0.077 0.000 0.955 76 D HN 0.179 nan 8.370 nan 0.000 0.465 77 E N -0.142 119.976 120.200 -0.136 0.000 2.267 77 E HA -0.091 4.276 4.350 0.028 0.000 0.197 77 E C 1.944 178.445 176.600 -0.164 0.000 0.998 77 E CA 0.347 56.672 56.400 -0.125 0.000 0.830 77 E CB -0.016 29.614 29.700 -0.117 0.000 0.751 77 E HN 0.249 nan 8.360 nan 0.000 0.491 78 V N 0.259 120.010 119.914 -0.270 0.000 3.354 78 V HA 0.008 4.145 4.120 0.028 0.000 0.258 78 V C 1.958 177.904 176.094 -0.247 0.000 1.159 78 V CA 0.669 62.743 62.300 -0.377 0.000 1.125 78 V CB -0.195 31.146 31.823 -0.803 0.000 0.774 78 V HN 0.106 nan 8.190 nan 0.000 0.464 79 R N -0.765 119.628 120.500 -0.178 0.000 2.265 79 R HA 0.094 4.452 4.340 0.028 0.000 0.194 79 R C 1.919 178.190 176.300 -0.048 0.000 0.931 79 R CA 0.970 57.013 56.100 -0.095 0.000 1.032 79 R CB 0.193 30.439 30.300 -0.090 0.000 0.980 79 R HN 0.407 nan 8.270 nan 0.000 0.497 80 T N -0.690 113.832 114.554 -0.053 0.000 3.114 80 T HA 0.158 4.525 4.350 0.028 0.000 0.240 80 T C 1.043 175.735 174.700 -0.014 0.000 0.983 80 T CA 0.538 62.620 62.100 -0.029 0.000 1.151 80 T CB 0.230 69.077 68.868 -0.034 0.000 0.974 80 T HN 0.325 nan 8.240 nan 0.000 0.442 81 G N 1.734 110.523 108.800 -0.017 0.000 2.468 81 G HA2 0.345 4.322 3.960 0.028 0.000 0.264 81 G HA3 0.345 4.322 3.960 0.028 0.000 0.264 81 G C 0.056 174.986 174.900 0.051 0.000 1.460 81 G CA -0.360 44.747 45.100 0.010 0.000 1.060 81 G HN 0.341 nan 8.290 nan 0.000 0.543 82 T N -0.865 113.748 114.554 0.098 0.000 2.716 82 T HA 0.059 4.426 4.350 0.028 0.000 0.335 82 T C -0.075 174.805 174.700 0.301 0.000 1.081 82 T CA 0.820 63.017 62.100 0.163 0.000 1.073 82 T CB -0.086 68.956 68.868 0.290 0.000 0.993 82 T HN 0.481 nan 8.240 nan 0.000 0.547 83 Y N -1.087 119.285 120.300 0.119 0.000 3.225 83 Y HA -0.248 4.319 4.550 0.028 0.000 0.211 83 Y C 1.746 177.835 175.900 0.316 0.000 1.223 83 Y CA 0.494 58.730 58.100 0.227 0.000 1.284 83 Y CB -1.759 36.913 38.460 0.353 0.000 1.367 83 Y HN 0.575 nan 8.280 nan 0.000 0.566 84 R N 0.106 120.735 120.500 0.215 0.000 2.057 84 R HA -0.108 4.249 4.340 0.028 0.000 0.229 84 R C 1.699 178.126 176.300 0.212 0.000 1.136 84 R CA 1.414 57.618 56.100 0.174 0.000 0.952 84 R CB 0.025 30.367 30.300 0.069 0.000 0.848 84 R HN 0.329 nan 8.270 nan 0.000 0.430 85 Q N 0.510 120.388 119.800 0.130 0.000 2.320 85 Q HA 0.010 4.368 4.340 0.028 0.000 0.201 85 Q C 0.949 177.007 176.000 0.096 0.000 0.910 85 Q CA 0.115 55.979 55.803 0.101 0.000 0.946 85 Q CB 0.714 29.475 28.738 0.038 0.000 1.062 85 Q HN 0.190 nan 8.270 nan 0.000 0.503 86 L N -0.155 121.118 121.223 0.083 0.000 2.591 86 L HA 0.230 4.587 4.340 0.028 0.000 0.228 86 L C -0.590 176.105 176.870 -0.292 0.000 1.133 86 L CA 0.565 55.340 54.840 -0.108 0.000 0.880 86 L CB 0.032 41.983 42.059 -0.181 0.000 1.033 86 L HN -0.137 nan 8.230 nan 0.000 0.450 87 F N -2.103 117.979 119.950 0.220 0.000 2.611 87 F HA 0.465 5.010 4.527 0.030 0.000 0.324 87 F C -0.048 175.930 175.800 0.298 0.000 1.061 87 F CA -0.943 57.214 58.000 0.260 0.000 0.954 87 F CB 0.842 39.944 39.000 0.170 0.000 1.301 87 F HN -0.245 nan 8.300 nan 0.000 0.482 88 H N 2.268 121.504 119.070 0.276 0.000 2.488 88 H HA 0.269 4.842 4.556 0.028 0.000 0.322 88 H C -1.832 173.586 175.328 0.149 0.000 1.078 88 H CA -2.499 53.649 56.048 0.165 0.000 1.260 88 H CB 1.103 30.940 29.762 0.124 0.000 1.425 88 H HN 0.186 nan 8.280 nan 0.000 0.471 89 P HA -0.146 nan 4.420 nan 0.000 0.231 89 P C 0.111 177.478 177.300 0.112 0.000 1.154 89 P CA 1.033 64.195 63.100 0.104 0.000 0.762 89 P CB 0.385 32.115 31.700 0.051 0.000 0.790 90 E N 0.044 120.344 120.200 0.167 0.000 2.307 90 E HA -0.059 4.308 4.350 0.028 0.000 0.195 90 E C 1.598 178.274 176.600 0.127 0.000 0.975 90 E CA 0.300 56.782 56.400 0.137 0.000 0.878 90 E CB -0.084 29.711 29.700 0.158 0.000 0.845 90 E HN 0.511 nan 8.360 nan 0.000 0.488 91 Q N 0.688 120.590 119.800 0.170 0.000 2.212 91 Q HA 0.207 4.564 4.340 0.028 0.000 0.213 91 Q C -0.054 176.050 176.000 0.174 0.000 0.874 91 Q CA 0.060 55.950 55.803 0.145 0.000 0.965 91 Q CB 0.160 28.993 28.738 0.159 0.000 1.074 91 Q HN 0.143 nan 8.270 nan 0.000 0.473 92 L N 1.797 123.101 121.223 0.135 0.000 2.417 92 L HA 0.443 4.800 4.340 0.028 0.000 0.259 92 L C -1.085 175.808 176.870 0.039 0.000 1.023 92 L CA -0.830 54.065 54.840 0.092 0.000 0.901 92 L CB 1.109 43.175 42.059 0.012 0.000 1.227 92 L HN 0.165 nan 8.230 nan 0.000 0.454 93 I N 2.319 122.907 120.570 0.030 0.000 2.396 93 I HA 0.464 4.652 4.170 0.028 0.000 0.292 93 I C 0.639 176.729 176.117 -0.045 0.000 0.999 93 I CA 0.225 61.522 61.300 -0.006 0.000 1.310 93 I CB 1.871 39.866 38.000 -0.009 0.000 1.404 93 I HN 0.499 nan 8.210 nan 0.000 0.496 94 T N 1.589 116.116 114.554 -0.044 0.000 2.900 94 T HA 0.776 5.144 4.350 0.028 0.000 0.303 94 T C -0.334 174.339 174.700 -0.045 0.000 1.142 94 T CA -0.870 61.194 62.100 -0.059 0.000 1.007 94 T CB 1.704 70.541 68.868 -0.052 0.000 1.156 94 T HN 0.738 nan 8.240 nan 0.000 0.490 95 G N 2.047 110.817 108.800 -0.051 0.000 3.749 95 G HA2 0.384 4.361 3.960 0.028 0.000 0.339 95 G HA3 0.384 4.361 3.960 0.028 0.000 0.339 95 G C 0.788 175.671 174.900 -0.027 0.000 1.513 95 G CA -0.645 44.436 45.100 -0.031 0.000 1.035 95 G HN 1.067 nan 8.290 nan 0.000 0.480 96 K N 0.960 121.346 120.400 -0.023 0.000 2.296 96 K HA -0.301 4.036 4.320 0.028 0.000 0.206 96 K C 0.999 177.589 176.600 -0.017 0.000 1.042 96 K CA 1.709 57.984 56.287 -0.020 0.000 0.934 96 K CB -0.085 32.407 32.500 -0.014 0.000 0.727 96 K HN 0.550 nan 8.250 nan 0.000 0.480 97 E N 1.281 121.474 120.200 -0.012 0.000 4.479 97 E HA -0.098 4.270 4.350 0.028 0.000 0.582 97 E C -0.429 176.163 176.600 -0.013 0.000 0.647 97 E CA 1.238 57.633 56.400 -0.007 0.000 3.960 97 E CB 0.024 29.725 29.700 0.001 0.000 2.109 97 E HN 0.386 nan 8.360 nan 0.000 0.296 98 D N -1.412 118.981 120.400 -0.011 0.000 2.498 98 D HA 0.383 5.040 4.640 0.028 0.000 0.247 98 D C -0.237 176.049 176.300 -0.023 0.000 1.070 98 D CA -0.245 53.743 54.000 -0.020 0.000 0.842 98 D CB 1.835 42.622 40.800 -0.021 0.000 1.361 98 D HN 0.374 nan 8.370 nan 0.000 0.484 99 A N 2.281 125.082 122.820 -0.032 0.000 1.826 99 A HA 0.447 4.784 4.320 0.028 0.000 0.214 99 A C 0.802 178.371 177.584 -0.026 0.000 1.212 99 A CA 1.157 53.178 52.037 -0.027 0.000 0.605 99 A CB -0.874 18.108 19.000 -0.030 0.000 0.861 99 A HN 1.524 nan 8.150 nan 0.000 0.447 100 A N -1.019 121.766 122.820 -0.057 0.000 2.302 100 A HA -0.118 4.219 4.320 0.028 0.000 0.634 100 A C -0.036 177.508 177.584 -0.066 0.000 0.278 100 A CA 0.453 52.431 52.037 -0.099 0.000 0.218 100 A CB -2.128 16.819 19.000 -0.089 0.000 3.675 100 A HN 0.625 nan 8.150 nan 0.000 0.507 101 N N 1.815 120.454 118.700 -0.103 0.000 2.715 101 N HA 0.034 4.791 4.740 0.028 0.000 0.254 101 N C 0.133 175.651 175.510 0.014 0.000 1.306 101 N CA 0.492 53.521 53.050 -0.035 0.000 0.956 101 N CB -0.112 38.336 38.487 -0.064 0.000 1.296 101 N HN 0.784 nan 8.380 nan 0.000 0.512 102 N N -0.125 118.604 118.700 0.048 0.000 2.371 102 N HA -0.047 4.710 4.740 0.028 0.000 0.291 102 N C 0.268 176.030 175.510 0.421 0.000 1.053 102 N CA -0.660 52.513 53.050 0.206 0.000 0.870 102 N CB 0.708 39.032 38.487 -0.271 0.000 1.503 102 N HN -0.031 nan 8.380 nan 0.000 0.485 103 Y N 4.142 124.758 120.300 0.526 0.000 1.911 103 Y HA -0.354 4.213 4.550 0.027 0.000 0.244 103 Y C 2.280 178.403 175.900 0.372 0.000 1.139 103 Y CA 3.617 61.914 58.100 0.327 0.000 1.070 103 Y CB -0.955 37.568 38.460 0.105 0.000 0.919 103 Y HN 0.741 nan 8.280 nan 0.000 0.497 104 A N 0.579 123.621 122.820 0.370 0.000 1.879 104 A HA -0.482 3.855 4.320 0.028 0.000 0.234 104 A C 2.369 180.081 177.584 0.213 0.000 1.742 104 A CA 3.515 55.712 52.037 0.266 0.000 0.775 104 A CB -1.651 17.668 19.000 0.532 0.000 0.849 104 A HN 0.712 nan 8.150 nan 0.000 0.487 105 R N -0.959 119.666 120.500 0.209 0.000 2.096 105 R HA -0.145 4.212 4.340 0.028 0.000 0.240 105 R C 2.310 178.676 176.300 0.110 0.000 1.139 105 R CA 2.182 58.365 56.100 0.138 0.000 0.952 105 R CB -0.879 29.470 30.300 0.082 0.000 0.854 105 R HN 0.547 nan 8.270 nan 0.000 0.436 106 G N -1.160 107.697 108.800 0.094 0.000 2.408 106 G HA2 -0.299 3.678 3.960 0.028 0.000 0.217 106 G HA3 -0.299 3.678 3.960 0.028 0.000 0.217 106 G C 1.194 176.123 174.900 0.048 0.000 1.150 106 G CA 1.168 46.319 45.100 0.085 0.000 0.776 106 G HN 0.536 nan 8.290 nan 0.000 0.542 107 H N -1.151 117.820 119.070 -0.165 0.000 2.266 107 H HA 0.143 4.716 4.556 0.028 0.000 0.308 107 H C 1.878 177.078 175.328 -0.215 0.000 1.057 107 H CA 1.064 56.932 56.048 -0.299 0.000 1.330 107 H CB -0.021 29.341 29.762 -0.666 0.000 1.400 107 H HN 0.281 nan 8.280 nan 0.000 0.503 108 Y N 0.656 121.000 120.300 0.075 0.000 3.287 108 Y HA -0.096 4.472 4.550 0.029 0.000 0.222 108 Y C 2.609 178.523 175.900 0.024 0.000 0.849 108 Y CA 1.015 59.161 58.100 0.077 0.000 0.934 108 Y CB -1.088 37.426 38.460 0.091 0.000 1.133 108 Y HN 0.211 nan 8.280 nan 0.000 0.522 109 T N 1.196 115.905 114.554 0.257 0.000 1.944 109 T HA -0.384 3.983 4.350 0.028 0.000 0.155 109 T C 1.729 176.483 174.700 0.089 0.000 1.860 109 T CA 2.655 64.842 62.100 0.144 0.000 0.978 109 T CB -1.002 67.945 68.868 0.132 0.000 0.826 109 T HN 0.504 nan 8.240 nan 0.000 0.400 110 I N 0.259 120.877 120.570 0.080 0.000 2.086 110 I HA -0.028 4.159 4.170 0.028 0.000 0.233 110 I C 2.721 178.872 176.117 0.056 0.000 1.060 110 I CA 1.922 63.257 61.300 0.058 0.000 1.326 110 I CB -1.063 36.967 38.000 0.049 0.000 1.067 110 I HN 0.539 nan 8.210 nan 0.000 0.398 111 G N 1.255 110.099 108.800 0.074 0.000 2.681 111 G HA2 -0.387 3.590 3.960 0.028 0.000 0.224 111 G HA3 -0.387 3.590 3.960 0.028 0.000 0.224 111 G C 1.725 176.663 174.900 0.064 0.000 1.100 111 G CA 1.145 46.322 45.100 0.129 0.000 0.743 111 G HN 0.300 nan 8.290 nan 0.000 0.612 112 K N 0.559 120.943 120.400 -0.026 0.000 1.991 112 K HA -0.098 4.239 4.320 0.028 0.000 0.212 112 K C 2.421 179.006 176.600 -0.025 0.000 1.049 112 K CA 1.621 57.861 56.287 -0.078 0.000 0.932 112 K CB -0.690 31.772 32.500 -0.063 0.000 0.717 112 K HN 0.527 nan 8.250 nan 0.000 0.441 113 E N 0.035 120.240 120.200 0.008 0.000 2.197 113 E HA -0.227 4.140 4.350 0.028 0.000 0.205 113 E C 1.847 178.465 176.600 0.030 0.000 1.029 113 E CA 1.474 57.884 56.400 0.017 0.000 0.828 113 E CB -0.090 29.624 29.700 0.024 0.000 0.737 113 E HN 0.244 nan 8.360 nan 0.000 0.464 114 I N 0.509 121.117 120.570 0.064 0.000 2.400 114 I HA -0.178 4.009 4.170 0.028 0.000 0.248 114 I C 2.427 178.618 176.117 0.123 0.000 1.109 114 I CA 0.410 61.768 61.300 0.096 0.000 1.425 114 I CB -1.162 36.911 38.000 0.122 0.000 1.094 114 I HN 0.180 nan 8.210 nan 0.000 0.425 115 I N 2.062 122.705 120.570 0.122 0.000 2.130 115 I HA -0.416 3.771 4.170 0.028 0.000 0.241 115 I C 2.210 178.320 176.117 -0.012 0.000 1.023 115 I CA 2.014 63.314 61.300 -0.001 0.000 1.293 115 I CB -0.690 37.180 38.000 -0.217 0.000 1.001 115 I HN 0.323 nan 8.210 nan 0.000 0.407 116 D N 0.240 120.626 120.400 -0.024 0.000 2.242 116 D HA -0.276 4.381 4.640 0.028 0.000 0.193 116 D C 2.066 178.372 176.300 0.010 0.000 1.005 116 D CA 2.201 56.192 54.000 -0.016 0.000 0.856 116 D CB -0.581 40.214 40.800 -0.010 0.000 1.001 116 D HN 0.347 nan 8.370 nan 0.000 0.452 117 L N 1.276 122.515 121.223 0.025 0.000 2.034 117 L HA -0.243 4.114 4.340 0.028 0.000 0.217 117 L C 2.479 179.377 176.870 0.047 0.000 1.077 117 L CA 1.595 56.456 54.840 0.035 0.000 0.769 117 L CB -0.827 41.254 42.059 0.037 0.000 0.890 117 L HN -0.041 nan 8.230 nan 0.000 0.435 118 V N -0.507 119.453 119.914 0.077 0.000 2.219 118 V HA -0.378 3.759 4.120 0.028 0.000 0.248 118 V C 2.601 178.725 176.094 0.049 0.000 1.053 118 V CA 2.229 64.591 62.300 0.104 0.000 1.009 118 V CB -0.814 31.168 31.823 0.265 0.000 0.636 118 V HN 0.498 nan 8.190 nan 0.000 0.445 119 L N -0.187 121.045 121.223 0.015 0.000 1.991 119 L HA -0.324 4.033 4.340 0.028 0.000 0.221 119 L C 2.583 179.467 176.870 0.024 0.000 1.079 119 L CA 2.271 57.105 54.840 -0.010 0.000 0.778 119 L CB -0.963 41.081 42.059 -0.024 0.000 0.893 119 L HN 0.453 nan 8.230 nan 0.000 0.437 120 D N -0.536 119.882 120.400 0.029 0.000 2.200 120 D HA -0.237 4.420 4.640 0.028 0.000 0.192 120 D C 2.254 178.584 176.300 0.050 0.000 1.008 120 D CA 1.413 55.437 54.000 0.040 0.000 0.872 120 D CB -0.022 40.799 40.800 0.034 0.000 0.923 120 D HN 0.229 nan 8.370 nan 0.000 0.447 121 R N 0.514 121.041 120.500 0.044 0.000 2.073 121 R HA -0.033 4.324 4.340 0.028 0.000 0.229 121 R C 2.422 178.751 176.300 0.048 0.000 1.120 121 R CA 0.431 56.558 56.100 0.046 0.000 0.967 121 R CB -0.889 29.434 30.300 0.039 0.000 0.862 121 R HN 0.463 nan 8.270 nan 0.000 0.436 122 I N -1.468 119.120 120.570 0.030 0.000 3.605 122 I HA 0.080 4.267 4.170 0.028 0.000 0.301 122 I C 1.042 177.222 176.117 0.105 0.000 1.267 122 I CA 0.765 62.077 61.300 0.020 0.000 1.236 122 I CB -0.011 37.916 38.000 -0.122 0.000 1.010 122 I HN -0.059 nan 8.210 nan 0.000 0.491 123 R N 0.414 120.998 120.500 0.140 0.000 2.435 123 R HA 0.232 4.589 4.340 0.028 0.000 0.221 123 R C 1.908 178.295 176.300 0.145 0.000 0.885 123 R CA -0.052 56.179 56.100 0.219 0.000 1.018 123 R CB 0.334 30.736 30.300 0.169 0.000 1.259 123 R HN 0.213 nan 8.270 nan 0.000 0.597 124 K N 0.476 120.936 120.400 0.099 0.000 2.211 124 K HA 0.169 4.506 4.320 0.028 0.000 0.201 124 K C 1.658 178.300 176.600 0.070 0.000 1.052 124 K CA 0.512 56.844 56.287 0.075 0.000 0.973 124 K CB 0.389 32.925 32.500 0.061 0.000 0.766 124 K HN 0.055 nan 8.250 nan 0.000 0.466 125 L N -0.042 121.224 121.223 0.071 0.000 2.375 125 L HA 0.062 4.419 4.340 0.028 0.000 0.215 125 L C 1.965 178.880 176.870 0.075 0.000 1.108 125 L CA 0.327 55.201 54.840 0.057 0.000 0.830 125 L CB 0.059 42.145 42.059 0.046 0.000 0.959 125 L HN 0.118 nan 8.230 nan 0.000 0.457 126 A N -1.238 121.652 122.820 0.117 0.000 2.123 126 A HA -0.145 4.192 4.320 0.028 0.000 0.214 126 A C 1.878 179.546 177.584 0.139 0.000 1.152 126 A CA 1.041 53.164 52.037 0.144 0.000 0.728 126 A CB -0.183 18.967 19.000 0.251 0.000 0.814 126 A HN 0.319 nan 8.150 nan 0.000 0.464 127 D N -0.731 119.741 120.400 0.120 0.000 2.214 127 D HA -0.142 4.515 4.640 0.028 0.000 0.217 127 D C 2.085 178.424 176.300 0.064 0.000 0.973 127 D CA 1.229 55.285 54.000 0.093 0.000 0.880 127 D CB -0.181 40.667 40.800 0.081 0.000 1.031 127 D HN 0.581 nan 8.370 nan 0.000 0.468 128 Q N 0.979 120.812 119.800 0.055 0.000 2.197 128 Q HA -0.185 4.172 4.340 0.028 0.000 0.211 128 Q C 1.592 177.614 176.000 0.037 0.000 0.993 128 Q CA 1.623 57.451 55.803 0.042 0.000 0.883 128 Q CB -0.348 28.410 28.738 0.033 0.000 0.916 128 Q HN 0.461 nan 8.270 nan 0.000 0.418 129 C N 0.076 119.398 119.300 0.038 0.000 2.894 129 C HA 0.425 4.902 4.460 0.028 0.000 0.266 129 C C 0.488 175.495 174.990 0.029 0.000 1.773 129 C CA -0.227 58.809 59.018 0.030 0.000 1.953 129 C CB -0.093 27.661 27.740 0.024 0.000 1.978 129 C HN 0.467 nan 8.230 nan 0.000 0.615 130 T N -0.641 113.926 114.554 0.022 0.000 2.906 130 T HA 0.593 4.960 4.350 0.028 0.000 0.302 130 T C 0.215 174.923 174.700 0.013 0.000 1.002 130 T CA 0.539 62.651 62.100 0.019 0.000 0.988 130 T CB 0.363 69.242 68.868 0.017 0.000 0.972 130 T HN 2.214 nan 8.240 nan 0.000 0.447 131 G N 3.882 112.691 108.800 0.015 0.000 2.193 131 G HA2 -0.160 3.817 3.960 0.028 0.000 0.232 131 G HA3 -0.160 3.817 3.960 0.028 0.000 0.232 131 G C 0.074 174.970 174.900 -0.006 0.000 0.628 131 G CA 0.448 45.553 45.100 0.009 0.000 1.056 131 G HN 1.112 nan 8.290 nan 0.000 0.328 132 L N -0.623 120.586 121.223 -0.023 0.000 2.543 132 L HA 0.844 5.201 4.340 0.028 0.000 0.231 132 L C 1.185 177.999 176.870 -0.093 0.000 1.194 132 L CA -0.701 54.098 54.840 -0.068 0.000 0.823 132 L CB 0.843 42.830 42.059 -0.121 0.000 1.374 132 L HN 0.282 nan 8.230 nan 0.000 0.507 133 Q N -0.731 118.984 119.800 -0.142 0.000 2.288 133 Q HA 0.456 4.813 4.340 0.028 0.000 0.256 133 Q C 0.003 175.857 176.000 -0.243 0.000 0.835 133 Q CA 0.528 56.252 55.803 -0.133 0.000 0.958 133 Q CB 1.210 29.908 28.738 -0.066 0.000 1.125 133 Q HN 1.097 nan 8.270 nan 0.000 0.513 134 G N -0.786 107.757 108.800 -0.427 0.000 2.327 134 G HA2 0.326 4.303 3.960 0.028 0.000 0.291 134 G HA3 0.326 4.303 3.960 0.028 0.000 0.291 134 G C -1.827 172.598 174.900 -0.792 0.000 1.290 134 G CA -0.692 43.987 45.100 -0.703 0.000 0.857 134 G HN 0.030 nan 8.290 nan 0.000 0.520 135 F N 1.419 121.303 119.950 -0.110 0.000 2.445 135 F HA 0.579 5.124 4.527 0.029 0.000 0.348 135 F C 0.740 176.475 175.800 -0.108 0.000 1.125 135 F CA -1.039 56.893 58.000 -0.113 0.000 0.983 135 F CB 2.060 40.962 39.000 -0.163 0.000 1.198 135 F HN 0.464 nan 8.300 nan 0.000 0.436 136 S N 2.056 117.788 115.700 0.054 0.000 2.414 136 S HA 0.494 4.981 4.470 0.028 0.000 0.290 136 S C -0.343 174.131 174.600 -0.209 0.000 1.160 136 S CA -0.669 57.490 58.200 -0.067 0.000 1.069 136 S CB 0.270 63.462 63.200 -0.014 0.000 1.012 136 S HN 0.406 nan 8.310 nan 0.000 0.510 137 V N 4.510 124.302 119.914 -0.203 0.000 2.546 137 V HA 0.403 4.540 4.120 0.028 0.000 0.284 137 V C -0.477 175.477 176.094 -0.233 0.000 1.050 137 V CA -0.490 61.707 62.300 -0.172 0.000 0.981 137 V CB 0.311 32.080 31.823 -0.090 0.000 0.990 137 V HN 0.860 nan 8.190 nan 0.000 0.474 138 F N 5.512 125.491 119.950 0.049 0.000 2.434 138 F HA 0.532 5.076 4.527 0.028 0.000 0.355 138 F C 0.274 176.252 175.800 0.296 0.000 1.115 138 F CA -0.488 57.620 58.000 0.180 0.000 1.010 138 F CB 0.827 39.859 39.000 0.053 0.000 1.234 138 F HN 0.703 nan 8.300 nan 0.000 0.439 139 H N -0.594 118.680 119.070 0.340 0.000 2.946 139 H HA 0.543 5.116 4.556 0.028 0.000 0.365 139 H C -1.336 174.193 175.328 0.334 0.000 1.197 139 H CA -1.837 54.390 56.048 0.299 0.000 1.131 139 H CB 1.497 31.425 29.762 0.276 0.000 1.849 139 H HN 0.199 nan 8.280 nan 0.000 0.555 140 S N 2.301 118.095 115.700 0.156 0.000 2.514 140 S HA 0.164 4.651 4.470 0.028 0.000 0.179 140 S C 0.495 175.221 174.600 0.209 0.000 1.409 140 S CA -0.618 57.648 58.200 0.111 0.000 1.138 140 S CB -0.867 62.397 63.200 0.108 0.000 1.217 140 S HN 0.478 nan 8.310 nan 0.000 0.493 141 F N 2.395 122.273 119.950 -0.121 0.000 2.166 141 F HA -0.365 4.178 4.527 0.028 0.000 0.241 141 F C 2.010 177.899 175.800 0.147 0.000 1.130 141 F CA 2.264 60.306 58.000 0.069 0.000 1.673 141 F CB -1.102 37.961 39.000 0.106 0.000 0.760 141 F HN 0.530 nan 8.300 nan 0.000 0.433 142 G N -0.059 108.937 108.800 0.327 0.000 3.717 142 G HA2 0.493 4.470 3.960 0.028 0.000 0.258 142 G HA3 0.493 4.470 3.960 0.028 0.000 0.258 142 G C 0.273 175.285 174.900 0.186 0.000 1.088 142 G CA 0.406 45.643 45.100 0.228 0.000 1.737 142 G HN 0.743 nan 8.290 nan 0.000 0.648 143 G N -0.747 108.168 108.800 0.192 0.000 3.176 143 G HA2 0.561 4.538 3.960 0.028 0.000 0.272 143 G HA3 0.561 4.538 3.960 0.028 0.000 0.272 143 G C 0.662 175.670 174.900 0.181 0.000 1.349 143 G CA 0.141 45.336 45.100 0.158 0.000 0.953 143 G HN 0.326 nan 8.290 nan 0.000 0.559 144 G N -1.284 107.598 108.800 0.138 0.000 2.599 144 G HA2 0.153 4.130 3.960 0.028 0.000 0.210 144 G HA3 0.153 4.130 3.960 0.028 0.000 0.210 144 G C 1.468 176.455 174.900 0.145 0.000 1.177 144 G CA 1.566 46.752 45.100 0.142 0.000 0.835 144 G HN 0.577 nan 8.290 nan 0.000 0.575 145 T N 0.948 115.562 114.554 0.099 0.000 2.995 145 T HA 0.072 4.439 4.350 0.028 0.000 0.269 145 T C 2.311 177.102 174.700 0.150 0.000 1.091 145 T CA 1.245 63.391 62.100 0.076 0.000 1.128 145 T CB -0.054 68.794 68.868 -0.035 0.000 0.891 145 T HN 0.311 nan 8.240 nan 0.000 0.492 146 G N 1.276 110.185 108.800 0.182 0.000 2.426 146 G HA2 -0.083 3.894 3.960 0.028 0.000 0.214 146 G HA3 -0.083 3.894 3.960 0.028 0.000 0.214 146 G C 1.851 176.966 174.900 0.358 0.000 1.156 146 G CA 0.928 46.190 45.100 0.269 0.000 0.802 146 G HN 0.595 nan 8.290 nan 0.000 0.534 147 S N 0.804 116.690 115.700 0.310 0.000 2.303 147 S HA 0.199 4.686 4.470 0.028 0.000 0.207 147 S C 2.403 177.223 174.600 0.367 0.000 1.025 147 S CA 1.365 59.756 58.200 0.318 0.000 0.953 147 S CB -1.160 62.215 63.200 0.292 0.000 0.932 147 S HN 0.406 nan 8.310 nan 0.000 0.472 148 G N 1.801 110.819 108.800 0.363 0.000 2.806 148 G HA2 -0.181 3.796 3.960 0.028 0.000 0.214 148 G HA3 -0.181 3.796 3.960 0.028 0.000 0.214 148 G C 1.094 176.059 174.900 0.108 0.000 1.331 148 G CA 1.058 46.215 45.100 0.095 0.000 0.807 148 G HN 0.466 nan 8.290 nan 0.000 0.644 149 F N 2.075 121.987 119.950 -0.063 0.000 2.100 149 F HA -0.345 4.199 4.527 0.028 0.000 0.293 149 F C 3.051 178.768 175.800 -0.139 0.000 1.137 149 F CA 3.574 61.494 58.000 -0.133 0.000 1.252 149 F CB -0.996 37.964 39.000 -0.067 0.000 0.934 149 F HN 0.265 nan 8.300 nan 0.000 0.524 150 T N -0.049 114.622 114.554 0.196 0.000 2.624 150 T HA -0.340 4.027 4.350 0.028 0.000 0.266 150 T C 2.043 176.621 174.700 -0.203 0.000 1.050 150 T CA 2.090 64.176 62.100 -0.023 0.000 1.163 150 T CB -1.201 67.677 68.868 0.017 0.000 0.861 150 T HN 0.438 nan 8.240 nan 0.000 0.443 151 S N 2.076 117.744 115.700 -0.053 0.000 2.406 151 S HA -0.203 4.284 4.470 0.028 0.000 0.242 151 S C 1.944 176.445 174.600 -0.165 0.000 1.079 151 S CA 1.936 60.137 58.200 0.002 0.000 1.133 151 S CB -0.621 62.811 63.200 0.386 0.000 1.005 151 S HN 0.651 nan 8.310 nan 0.000 0.443 152 L N -0.135 120.843 121.223 -0.408 0.000 2.446 152 L HA 0.383 4.740 4.340 0.028 0.000 0.219 152 L C 1.785 178.355 176.870 -0.500 0.000 1.116 152 L CA 0.893 55.416 54.840 -0.529 0.000 0.844 152 L CB -1.124 40.389 42.059 -0.909 0.000 0.970 152 L HN 0.176 nan 8.230 nan 0.000 0.457 153 L N -0.220 120.645 121.223 -0.596 0.000 1.988 153 L HA -0.025 4.332 4.340 0.028 0.000 0.207 153 L C 2.464 179.144 176.870 -0.317 0.000 1.071 153 L CA 1.782 56.314 54.840 -0.514 0.000 0.744 153 L CB -0.441 41.307 42.059 -0.518 0.000 0.893 153 L HN 0.227 nan 8.230 nan 0.000 0.433 154 M N -0.810 118.631 119.600 -0.266 0.000 2.202 154 M HA -0.187 4.310 4.480 0.028 0.000 0.262 154 M C 2.170 178.429 176.300 -0.067 0.000 1.063 154 M CA 1.412 56.606 55.300 -0.176 0.000 1.097 154 M CB -0.730 31.776 32.600 -0.156 0.000 1.382 154 M HN 0.413 nan 8.290 nan 0.000 0.413 155 E N 0.902 120.999 120.200 -0.171 0.000 2.023 155 E HA -0.186 4.181 4.350 0.028 0.000 0.196 155 E C 1.930 178.577 176.600 0.078 0.000 1.003 155 E CA 1.382 57.719 56.400 -0.105 0.000 0.809 155 E CB -0.168 29.358 29.700 -0.289 0.000 0.755 155 E HN 0.386 nan 8.360 nan 0.000 0.449 156 R N 0.163 120.611 120.500 -0.086 0.000 2.293 156 R HA -0.058 4.299 4.340 0.028 0.000 0.219 156 R C 2.431 178.714 176.300 -0.029 0.000 1.091 156 R CA 0.367 56.425 56.100 -0.070 0.000 1.004 156 R CB -0.112 30.107 30.300 -0.136 0.000 0.865 156 R HN 0.265 nan 8.270 nan 0.000 0.469 157 L N -0.737 120.456 121.223 -0.050 0.000 2.084 157 L HA -0.053 4.304 4.340 0.028 0.000 0.202 157 L C 2.170 179.093 176.870 0.090 0.000 1.074 157 L CA 0.834 55.653 54.840 -0.035 0.000 0.757 157 L CB -0.420 41.463 42.059 -0.294 0.000 0.918 157 L HN 0.010 nan 8.230 nan 0.000 0.444 158 S N -0.290 115.443 115.700 0.055 0.000 2.461 158 S HA -0.143 4.344 4.470 0.028 0.000 0.246 158 S C 1.762 176.337 174.600 -0.042 0.000 1.007 158 S CA 1.162 59.351 58.200 -0.018 0.000 0.976 158 S CB -0.167 62.896 63.200 -0.227 0.000 0.763 158 S HN 0.211 nan 8.310 nan 0.000 0.508 159 V N 0.468 120.377 119.914 -0.009 0.000 2.922 159 V HA 0.056 4.193 4.120 0.028 0.000 0.242 159 V C 2.003 178.085 176.094 -0.021 0.000 1.094 159 V CA 0.823 63.105 62.300 -0.031 0.000 1.106 159 V CB -0.240 31.562 31.823 -0.034 0.000 0.799 159 V HN 0.363 nan 8.190 nan 0.000 0.474 160 D N -0.490 119.920 120.400 0.016 0.000 2.323 160 D HA -0.065 4.592 4.640 0.028 0.000 0.209 160 D C 0.064 176.197 176.300 -0.277 0.000 0.973 160 D CA 0.914 54.845 54.000 -0.116 0.000 0.874 160 D CB 0.330 41.091 40.800 -0.065 0.000 0.930 160 D HN 0.568 nan 8.370 nan 0.000 0.521 161 Y N -1.473 118.858 120.300 0.051 0.000 2.810 161 Y HA 0.316 4.883 4.550 0.028 0.000 0.255 161 Y C 1.565 177.507 175.900 0.071 0.000 0.979 161 Y CA -0.564 57.597 58.100 0.102 0.000 1.106 161 Y CB 0.818 39.439 38.460 0.268 0.000 1.209 161 Y HN -0.199 nan 8.280 nan 0.000 0.646 162 G N 0.538 109.414 108.800 0.127 0.000 2.517 162 G HA2 -0.314 3.663 3.960 0.028 0.000 0.222 162 G HA3 -0.314 3.663 3.960 0.028 0.000 0.222 162 G C 1.351 176.288 174.900 0.061 0.000 1.109 162 G CA 0.612 45.747 45.100 0.059 0.000 0.746 162 G HN 0.316 nan 8.290 nan 0.000 0.576 163 K N 0.420 120.866 120.400 0.078 0.000 3.165 163 K HA 0.147 4.485 4.320 0.028 0.000 0.270 163 K C 0.067 176.704 176.600 0.061 0.000 1.111 163 K CA 0.113 56.433 56.287 0.054 0.000 1.216 163 K CB -0.298 32.226 32.500 0.041 0.000 1.229 163 K HN 0.139 nan 8.250 nan 0.000 0.435 164 K N -0.872 119.564 120.400 0.060 0.000 2.395 164 K HA 0.240 4.577 4.320 0.028 0.000 0.272 164 K C -0.986 175.608 176.600 -0.010 0.000 0.984 164 K CA -0.860 55.428 56.287 0.002 0.000 0.816 164 K CB 1.347 33.815 32.500 -0.053 0.000 1.504 164 K HN -0.149 nan 8.250 nan 0.000 0.375 165 S N 0.957 116.615 115.700 -0.070 0.000 2.489 165 S HA 0.361 4.848 4.470 0.028 0.000 0.291 165 S C -0.789 173.804 174.600 -0.011 0.000 1.151 165 S CA -0.520 57.651 58.200 -0.047 0.000 1.082 165 S CB 0.728 63.890 63.200 -0.063 0.000 1.019 165 S HN 0.276 nan 8.310 nan 0.000 0.492 166 K N 2.689 123.097 120.400 0.013 0.000 2.679 166 K HA 0.359 4.696 4.320 0.028 0.000 0.188 166 K C -1.567 175.010 176.600 -0.038 0.000 1.055 166 K CA -0.281 56.037 56.287 0.052 0.000 1.006 166 K CB 0.566 33.101 32.500 0.059 0.000 1.317 166 K HN 0.275 nan 8.250 nan 0.000 0.584 167 L N 3.225 124.415 121.223 -0.055 0.000 2.255 167 L HA 0.202 4.559 4.340 0.028 0.000 0.289 167 L C 0.168 176.997 176.870 -0.069 0.000 1.046 167 L CA -0.129 54.632 54.840 -0.132 0.000 0.816 167 L CB 0.689 42.675 42.059 -0.121 0.000 1.197 167 L HN 0.441 nan 8.230 nan 0.000 0.427 168 E N 3.475 123.632 120.200 -0.071 0.000 2.134 168 E HA 0.216 4.583 4.350 0.028 0.000 0.278 168 E C -1.014 175.686 176.600 0.166 0.000 0.959 168 E CA -0.533 55.891 56.400 0.041 0.000 0.783 168 E CB 1.067 30.803 29.700 0.059 0.000 1.095 168 E HN 0.383 nan 8.360 nan 0.000 0.399 169 F N 3.797 123.771 119.950 0.040 0.000 2.368 169 F HA 0.149 4.693 4.527 0.028 0.000 0.362 169 F C 0.051 176.002 175.800 0.253 0.000 1.137 169 F CA -0.538 57.548 58.000 0.143 0.000 1.161 169 F CB 0.687 39.610 39.000 -0.128 0.000 1.265 169 F HN 0.580 nan 8.300 nan 0.000 0.530 170 S N 5.287 121.278 115.700 0.485 0.000 2.690 170 S HA 0.642 5.129 4.470 0.028 0.000 0.291 170 S C -0.479 174.241 174.600 0.200 0.000 1.138 170 S CA -0.806 57.539 58.200 0.242 0.000 1.013 170 S CB 2.083 65.341 63.200 0.096 0.000 1.053 170 S HN 0.570 nan 8.310 nan 0.000 0.539 171 I N 2.837 123.451 120.570 0.074 0.000 2.750 171 I HA 0.191 4.378 4.170 0.028 0.000 0.279 171 I C -0.803 175.344 176.117 0.050 0.000 1.206 171 I CA -0.687 60.651 61.300 0.062 0.000 1.101 171 I CB 0.415 38.453 38.000 0.065 0.000 1.431 171 I HN 0.698 nan 8.210 nan 0.000 0.551 172 Y N 7.103 127.255 120.300 -0.247 0.000 2.411 172 Y HA 0.383 4.950 4.550 0.028 0.000 0.333 172 Y C -2.334 173.515 175.900 -0.085 0.000 1.186 172 Y CA -3.333 54.592 58.100 -0.292 0.000 1.381 172 Y CB 0.051 38.081 38.460 -0.717 0.000 1.273 172 Y HN 0.296 nan 8.280 nan 0.000 0.546 173 P HA -0.098 nan 4.420 nan 0.000 0.258 173 P C -0.902 176.593 177.300 0.326 0.000 1.128 173 P CA 1.310 64.637 63.100 0.378 0.000 0.760 173 P CB -0.058 31.798 31.700 0.259 0.000 0.715 174 A N 7.948 130.873 122.820 0.176 0.000 2.548 174 A HA 0.112 4.449 4.320 0.028 0.000 0.247 174 A C -0.487 177.172 177.584 0.124 0.000 1.067 174 A CA -0.685 51.416 52.037 0.105 0.000 0.757 174 A CB -0.538 18.522 19.000 0.099 0.000 0.996 174 A HN 0.474 nan 8.150 nan 0.000 0.504 175 P HA -0.206 nan 4.420 nan 0.000 0.218 175 P C 0.608 177.955 177.300 0.078 0.000 1.146 175 P CA 1.779 64.931 63.100 0.085 0.000 0.820 175 P CB 0.295 32.012 31.700 0.028 0.000 0.778 176 Q N -2.319 117.524 119.800 0.072 0.000 2.104 176 Q HA 0.133 4.490 4.340 0.028 0.000 0.240 176 Q C 0.259 176.302 176.000 0.071 0.000 0.743 176 Q CA 0.045 55.887 55.803 0.065 0.000 0.920 176 Q CB 1.251 30.018 28.738 0.048 0.000 1.198 176 Q HN -0.010 nan 8.270 nan 0.000 0.465 177 V N 2.667 122.632 119.914 0.085 0.000 2.584 177 V HA 0.157 4.294 4.120 0.028 0.000 0.319 177 V C 0.452 176.612 176.094 0.109 0.000 1.363 177 V CA -0.199 62.158 62.300 0.096 0.000 1.518 177 V CB -0.135 31.762 31.823 0.124 0.000 1.514 177 V HN 0.231 nan 8.190 nan 0.000 0.553 178 S N 0.783 116.542 115.700 0.100 0.000 2.641 178 S HA 0.408 4.895 4.470 0.028 0.000 0.261 178 S C 0.762 175.419 174.600 0.094 0.000 1.257 178 S CA 0.343 58.607 58.200 0.107 0.000 0.983 178 S CB 1.856 65.116 63.200 0.101 0.000 0.990 178 S HN 0.371 nan 8.310 nan 0.000 0.572 179 T N 0.747 115.357 114.554 0.093 0.000 3.478 179 T HA 0.527 4.894 4.350 0.028 0.000 0.223 179 T C 0.917 175.642 174.700 0.041 0.000 0.958 179 T CA 0.383 62.529 62.100 0.077 0.000 1.324 179 T CB -0.948 67.983 68.868 0.105 0.000 1.262 179 T HN 1.049 nan 8.240 nan 0.000 0.379 180 A N 1.473 124.315 122.820 0.036 0.000 2.586 180 A HA 0.202 4.539 4.320 0.028 0.000 0.231 180 A C 1.601 179.154 177.584 -0.051 0.000 1.055 180 A CA -0.057 51.971 52.037 -0.014 0.000 0.756 180 A CB -0.056 18.946 19.000 0.005 0.000 0.988 180 A HN 0.316 nan 8.150 nan 0.000 0.509 181 V N 2.348 122.172 119.914 -0.149 0.000 2.591 181 V HA -0.166 3.971 4.120 0.028 0.000 0.249 181 V C 2.242 178.172 176.094 -0.273 0.000 1.053 181 V CA 2.054 64.227 62.300 -0.211 0.000 1.068 181 V CB -0.807 30.801 31.823 -0.358 0.000 0.689 181 V HN 0.947 nan 8.190 nan 0.000 0.462 182 V N -1.661 118.072 119.914 -0.302 0.000 2.992 182 V HA 0.018 4.155 4.120 0.028 0.000 0.250 182 V C 2.029 178.135 176.094 0.019 0.000 1.090 182 V CA 1.367 63.573 62.300 -0.156 0.000 1.101 182 V CB -0.363 31.475 31.823 0.024 0.000 0.743 182 V HN 0.545 nan 8.190 nan 0.000 0.468 183 E N 2.100 122.332 120.200 0.053 0.000 2.782 183 E HA -0.343 4.024 4.350 0.028 0.000 0.241 183 E C -0.047 176.648 176.600 0.157 0.000 0.998 183 E CA 3.686 60.156 56.400 0.116 0.000 1.535 183 E CB -1.749 28.012 29.700 0.101 0.000 1.442 183 E HN 0.549 nan 8.360 nan 0.000 0.461 184 P HA -0.220 nan 4.420 nan 0.000 0.216 184 P C 1.119 178.639 177.300 0.366 0.000 1.153 184 P CA 2.166 65.391 63.100 0.209 0.000 0.858 184 P CB -0.451 31.359 31.700 0.182 0.000 0.789 185 Y N 0.666 121.113 120.300 0.245 0.000 2.114 185 Y HA -0.220 4.346 4.550 0.026 0.000 0.282 185 Y C 2.490 178.414 175.900 0.039 0.000 1.165 185 Y CA 0.782 59.003 58.100 0.201 0.000 1.148 185 Y CB -0.688 37.919 38.460 0.246 0.000 0.972 185 Y HN 0.022 nan 8.280 nan 0.000 0.504 186 N N -0.328 118.545 118.700 0.288 0.000 2.381 186 N HA -0.112 4.645 4.740 0.028 0.000 0.182 186 N C 1.621 177.140 175.510 0.015 0.000 1.025 186 N CA 1.495 54.653 53.050 0.179 0.000 0.888 186 N CB -0.241 38.407 38.487 0.268 0.000 0.965 186 N HN 0.364 nan 8.380 nan 0.000 0.438 187 S N -0.700 115.015 115.700 0.024 0.000 2.502 187 S HA 0.212 4.699 4.470 0.028 0.000 0.215 187 S C 1.573 176.053 174.600 -0.201 0.000 1.009 187 S CA -0.272 57.877 58.200 -0.085 0.000 0.908 187 S CB 0.247 63.559 63.200 0.186 0.000 0.801 187 S HN -0.003 nan 8.310 nan 0.000 0.505 188 I N 1.536 122.004 120.570 -0.171 0.000 3.226 188 I HA 0.232 4.419 4.170 0.028 0.000 0.277 188 I C 1.741 177.569 176.117 -0.481 0.000 1.243 188 I CA 0.620 61.712 61.300 -0.348 0.000 1.459 188 I CB -0.728 36.957 38.000 -0.526 0.000 1.093 188 I HN 0.335 nan 8.210 nan 0.000 0.453 189 L N -0.142 120.751 121.223 -0.551 0.000 2.354 189 L HA -0.030 4.327 4.340 0.028 0.000 0.212 189 L C 2.118 178.606 176.870 -0.636 0.000 1.091 189 L CA 0.762 55.072 54.840 -0.884 0.000 0.828 189 L CB -0.344 40.690 42.059 -1.708 0.000 0.973 189 L HN 0.121 nan 8.230 nan 0.000 0.461 190 T N -2.368 111.917 114.554 -0.448 0.000 3.043 190 T HA -0.109 4.258 4.350 0.028 0.000 0.263 190 T C 1.847 176.357 174.700 -0.318 0.000 1.094 190 T CA 1.233 63.168 62.100 -0.275 0.000 1.127 190 T CB 0.115 68.787 68.868 -0.326 0.000 0.905 190 T HN 0.177 nan 8.240 nan 0.000 0.490 191 T N 1.294 115.612 114.554 -0.394 0.000 2.809 191 T HA -0.142 4.225 4.350 0.028 0.000 0.260 191 T C 1.985 176.613 174.700 -0.119 0.000 1.039 191 T CA 1.078 63.055 62.100 -0.205 0.000 1.141 191 T CB -0.368 68.301 68.868 -0.331 0.000 0.869 191 T HN 0.579 nan 8.240 nan 0.000 0.437 192 H N -0.389 118.504 119.070 -0.296 0.000 2.423 192 H HA 0.025 4.599 4.556 0.029 0.000 0.297 192 H C 2.163 177.377 175.328 -0.190 0.000 1.075 192 H CA 1.964 57.863 56.048 -0.249 0.000 1.342 192 H CB -0.613 28.962 29.762 -0.310 0.000 1.395 192 H HN 0.350 nan 8.280 nan 0.000 0.530 193 T N -0.731 113.666 114.554 -0.261 0.000 3.014 193 T HA -0.048 4.319 4.350 0.028 0.000 0.263 193 T C 1.927 176.420 174.700 -0.345 0.000 1.078 193 T CA 1.484 63.370 62.100 -0.357 0.000 1.135 193 T CB -0.358 68.470 68.868 -0.067 0.000 0.895 193 T HN 0.442 nan 8.240 nan 0.000 0.480 194 T N 0.899 115.332 114.554 -0.202 0.000 3.044 194 T HA 0.145 4.512 4.350 0.028 0.000 0.255 194 T C 1.754 176.422 174.700 -0.053 0.000 1.073 194 T CA 0.439 62.452 62.100 -0.146 0.000 1.125 194 T CB -0.316 68.512 68.868 -0.066 0.000 0.908 194 T HN 0.215 nan 8.240 nan 0.000 0.480 195 L N 2.166 123.360 121.223 -0.048 0.000 2.034 195 L HA -0.091 4.267 4.340 0.028 0.000 0.217 195 L C 1.593 178.455 176.870 -0.014 0.000 1.077 195 L CA 1.962 56.791 54.840 -0.018 0.000 0.769 195 L CB -0.428 41.616 42.059 -0.025 0.000 0.890 195 L HN 0.205 nan 8.230 nan 0.000 0.435 196 E N -1.386 118.834 120.200 0.033 0.000 2.359 196 E HA 0.027 4.394 4.350 0.028 0.000 0.187 196 E C 0.805 177.490 176.600 0.141 0.000 1.081 196 E CA 0.301 56.748 56.400 0.078 0.000 0.929 196 E CB -0.231 29.508 29.700 0.065 0.000 1.086 196 E HN 0.724 nan 8.360 nan 0.000 0.462 197 H N -1.899 117.108 119.070 -0.105 0.000 3.838 197 H HA 0.151 4.725 4.556 0.029 0.000 0.255 197 H C 0.554 175.830 175.328 -0.086 0.000 1.074 197 H CA -0.130 55.864 56.048 -0.090 0.000 1.143 197 H CB 1.031 30.735 29.762 -0.098 0.000 1.479 197 H HN -0.062 nan 8.280 nan 0.000 0.644 198 S N 0.229 115.935 115.700 0.009 0.000 2.652 198 S HA 0.076 4.563 4.470 0.028 0.000 0.270 198 S C 0.478 175.022 174.600 -0.093 0.000 1.243 198 S CA -0.282 57.883 58.200 -0.057 0.000 0.999 198 S CB 1.359 64.495 63.200 -0.107 0.000 0.973 198 S HN 0.188 nan 8.310 nan 0.000 0.544 199 D N 0.250 120.588 120.400 -0.104 0.000 2.414 199 D HA 0.227 4.884 4.640 0.028 0.000 0.237 199 D C -0.172 176.033 176.300 -0.158 0.000 0.975 199 D CA 0.530 54.466 54.000 -0.106 0.000 0.917 199 D CB 0.326 41.083 40.800 -0.072 0.000 1.061 199 D HN 0.385 nan 8.370 nan 0.000 0.480 200 C N 0.661 119.822 119.300 -0.232 0.000 2.716 200 C HA 0.779 5.256 4.460 0.028 0.000 0.366 200 C C -1.372 173.319 174.990 -0.498 0.000 1.073 200 C CA -0.682 58.123 59.018 -0.356 0.000 1.260 200 C CB 0.368 27.873 27.740 -0.391 0.000 1.755 200 C HN 0.279 nan 8.230 nan 0.000 0.475 201 A N 5.495 128.035 122.820 -0.467 0.000 2.256 201 A HA 0.743 5.080 4.320 0.028 0.000 0.317 201 A C -0.613 176.800 177.584 -0.285 0.000 1.318 201 A CA -0.259 51.592 52.037 -0.310 0.000 0.894 201 A CB 0.130 19.025 19.000 -0.175 0.000 1.165 201 A HN 0.770 nan 8.150 nan 0.000 0.525 202 F N 1.852 121.686 119.950 -0.194 0.000 2.418 202 F HA 0.497 5.041 4.527 0.028 0.000 0.341 202 F C 0.812 176.390 175.800 -0.370 0.000 1.120 202 F CA 0.290 58.027 58.000 -0.438 0.000 1.232 202 F CB 1.167 39.502 39.000 -1.107 0.000 1.175 202 F HN 0.389 nan 8.300 nan 0.000 0.569 203 M N 3.366 122.920 119.600 -0.077 0.000 2.327 203 M HA 0.512 5.009 4.480 0.028 0.000 0.298 203 M C -1.494 174.766 176.300 -0.067 0.000 1.065 203 M CA -0.798 54.455 55.300 -0.077 0.000 0.916 203 M CB 2.475 34.999 32.600 -0.127 0.000 1.630 203 M HN 0.208 nan 8.290 nan 0.000 0.442 204 V N 2.174 122.099 119.914 0.018 0.000 2.447 204 V HA 0.230 4.367 4.120 0.028 0.000 0.292 204 V C -0.973 175.075 176.094 -0.076 0.000 1.021 204 V CA -0.614 61.711 62.300 0.042 0.000 0.850 204 V CB 1.937 33.923 31.823 0.271 0.000 1.005 204 V HN 0.779 nan 8.190 nan 0.000 0.426 205 D N 4.230 124.524 120.400 -0.177 0.000 2.339 205 D HA 0.050 4.707 4.640 0.028 0.000 0.256 205 D C 1.097 177.301 176.300 -0.160 0.000 1.214 205 D CA 0.165 54.032 54.000 -0.222 0.000 0.877 205 D CB 1.201 41.825 40.800 -0.292 0.000 1.111 205 D HN 0.539 nan 8.370 nan 0.000 0.478 206 N N 3.929 122.549 118.700 -0.134 0.000 2.061 206 N HA -0.251 4.506 4.740 0.028 0.000 0.193 206 N C 1.396 176.701 175.510 -0.341 0.000 1.030 206 N CA 1.814 54.743 53.050 -0.201 0.000 0.856 206 N CB 0.002 38.432 38.487 -0.095 0.000 1.023 206 N HN 0.691 nan 8.380 nan 0.000 0.424 207 E N -0.280 119.820 120.200 -0.167 0.000 2.015 207 E HA -0.078 4.289 4.350 0.028 0.000 0.191 207 E C 1.669 178.241 176.600 -0.046 0.000 0.991 207 E CA 1.298 57.664 56.400 -0.056 0.000 0.802 207 E CB -0.436 29.295 29.700 0.051 0.000 0.759 207 E HN 0.367 nan 8.360 nan 0.000 0.447 208 A N 0.547 123.325 122.820 -0.071 0.000 2.245 208 A HA -0.129 4.208 4.320 0.028 0.000 0.217 208 A C 1.973 179.523 177.584 -0.056 0.000 1.171 208 A CA 0.987 52.988 52.037 -0.060 0.000 0.688 208 A CB -0.623 18.317 19.000 -0.101 0.000 0.781 208 A HN 0.432 nan 8.150 nan 0.000 0.479 209 I N -2.829 117.679 120.570 -0.103 0.000 2.867 209 I HA -0.100 4.087 4.170 0.028 0.000 0.265 209 I C 2.043 178.158 176.117 -0.003 0.000 1.162 209 I CA 0.496 61.742 61.300 -0.089 0.000 1.471 209 I CB -0.174 37.729 38.000 -0.161 0.000 1.123 209 I HN 0.444 nan 8.210 nan 0.000 0.440 210 Y N 1.444 121.746 120.300 0.003 0.000 2.181 210 Y HA -0.293 4.274 4.550 0.028 0.000 0.288 210 Y C 2.419 178.313 175.900 -0.009 0.000 1.146 210 Y CA 0.701 58.800 58.100 -0.001 0.000 1.164 210 Y CB -0.083 38.377 38.460 0.000 0.000 0.982 210 Y HN 0.222 nan 8.280 nan 0.000 0.515 211 D N 0.649 121.144 120.400 0.158 0.000 2.116 211 D HA -0.233 4.424 4.640 0.028 0.000 0.193 211 D C 2.014 178.349 176.300 0.057 0.000 0.998 211 D CA 1.773 55.821 54.000 0.079 0.000 0.836 211 D CB -0.488 40.338 40.800 0.043 0.000 0.951 211 D HN 0.400 nan 8.370 nan 0.000 0.449 212 I N 0.833 121.432 120.570 0.048 0.000 2.335 212 I HA -0.270 3.917 4.170 0.028 0.000 0.251 212 I C 2.356 178.497 176.117 0.041 0.000 1.129 212 I CA 0.710 62.030 61.300 0.033 0.000 1.402 212 I CB -0.313 37.699 38.000 0.021 0.000 1.069 212 I HN 0.064 nan 8.210 nan 0.000 0.424 213 C N -0.014 119.329 119.300 0.072 0.000 2.481 213 C HA 0.007 4.484 4.460 0.028 0.000 0.275 213 C C 2.781 177.793 174.990 0.037 0.000 1.419 213 C CA 0.155 59.214 59.018 0.067 0.000 1.773 213 C CB -1.052 26.766 27.740 0.129 0.000 1.862 213 C HN 0.470 nan 8.230 nan 0.000 0.530 214 R N 1.105 121.627 120.500 0.036 0.000 2.087 214 R HA 0.092 4.449 4.340 0.028 0.000 0.213 214 R C 2.183 178.485 176.300 0.003 0.000 1.137 214 R CA 0.686 56.791 56.100 0.009 0.000 1.022 214 R CB -0.140 30.164 30.300 0.007 0.000 0.920 214 R HN 0.435 nan 8.270 nan 0.000 0.451 215 R N -0.205 120.301 120.500 0.010 0.000 2.127 215 R HA 0.121 4.478 4.340 0.028 0.000 0.217 215 R C 0.684 176.984 176.300 -0.000 0.000 1.074 215 R CA 0.949 57.050 56.100 0.003 0.000 0.991 215 R CB 0.035 30.339 30.300 0.006 0.000 0.895 215 R HN 0.287 nan 8.270 nan 0.000 0.450 216 N N 0.270 118.972 118.700 0.005 0.000 2.535 216 N HA 0.126 4.883 4.740 0.028 0.000 0.294 216 N C -0.500 175.009 175.510 -0.001 0.000 1.408 216 N CA 0.011 53.062 53.050 0.002 0.000 0.927 216 N CB 0.994 39.487 38.487 0.011 0.000 1.276 216 N HN -0.015 nan 8.380 nan 0.000 0.505 217 L N -0.165 121.052 121.223 -0.010 0.000 4.496 217 L HA 0.067 4.425 4.340 0.028 0.000 0.483 217 L C -1.239 175.617 176.870 -0.023 0.000 0.838 217 L CA 0.528 55.358 54.840 -0.017 0.000 2.078 217 L CB 0.023 42.081 42.059 -0.002 0.000 2.403 217 L HN 0.116 nan 8.230 nan 0.000 0.565 218 D N 1.962 122.352 120.400 -0.017 0.000 4.733 218 D HA -0.181 4.476 4.640 0.028 0.000 0.239 218 D C -0.511 175.777 176.300 -0.021 0.000 1.075 218 D CA 1.663 55.651 54.000 -0.020 0.000 1.258 218 D CB -0.625 40.157 40.800 -0.029 0.000 0.761 218 D HN 0.504 nan 8.370 nan 0.000 0.378 219 I N 0.456 121.014 120.570 -0.020 0.000 2.772 219 I HA 0.100 4.287 4.170 0.028 0.000 0.280 219 I C 0.177 176.270 176.117 -0.041 0.000 1.623 219 I CA -0.893 60.392 61.300 -0.025 0.000 1.119 219 I CB 1.386 39.377 38.000 -0.015 0.000 1.545 219 I HN -0.090 nan 8.210 nan 0.000 0.419 220 E N 3.580 123.747 120.200 -0.054 0.000 2.463 220 E HA 0.104 4.471 4.350 0.028 0.000 0.193 220 E C 0.514 177.054 176.600 -0.101 0.000 1.041 220 E CA 0.054 56.403 56.400 -0.084 0.000 0.879 220 E CB 0.561 30.217 29.700 -0.073 0.000 0.997 220 E HN 0.459 nan 8.360 nan 0.000 0.478 221 R N 1.964 122.419 120.500 -0.074 0.000 3.472 221 R HA 0.229 4.586 4.340 0.028 0.000 0.322 221 R C -2.602 173.666 176.300 -0.052 0.000 1.330 221 R CA -1.600 54.459 56.100 -0.068 0.000 1.387 221 R CB 0.050 30.323 30.300 -0.044 0.000 1.446 221 R HN -0.115 nan 8.270 nan 0.000 0.628 222 P HA 0.247 nan 4.420 nan 0.000 0.291 222 P C -0.793 176.523 177.300 0.026 0.000 1.378 222 P CA -0.133 62.972 63.100 0.008 0.000 0.853 222 P CB 1.539 33.279 31.700 0.067 0.000 1.002 223 T N 2.071 116.650 114.554 0.042 0.000 2.899 223 T HA 0.088 4.456 4.350 0.028 0.000 0.295 223 T C 1.067 175.862 174.700 0.159 0.000 1.033 223 T CA -0.000 62.128 62.100 0.047 0.000 1.084 223 T CB 0.504 69.396 68.868 0.041 0.000 0.979 223 T HN 0.352 nan 8.240 nan 0.000 0.532 224 Y N 0.719 121.062 120.300 0.073 0.000 2.193 224 Y HA -0.241 4.326 4.550 0.027 0.000 0.285 224 Y C 3.050 178.959 175.900 0.015 0.000 1.166 224 Y CA 0.967 59.102 58.100 0.059 0.000 1.181 224 Y CB -0.045 38.436 38.460 0.035 0.000 0.976 224 Y HN 0.639 nan 8.280 nan 0.000 0.520 225 T N 0.152 114.813 114.554 0.178 0.000 3.026 225 T HA -0.160 4.207 4.350 0.028 0.000 0.271 225 T C 1.365 176.091 174.700 0.044 0.000 1.149 225 T CA 1.317 63.460 62.100 0.071 0.000 1.088 225 T CB -0.257 68.639 68.868 0.048 0.000 0.857 225 T HN 0.374 nan 8.240 nan 0.000 0.551 226 N N 0.369 119.116 118.700 0.078 0.000 2.414 226 N HA 0.193 4.950 4.740 0.028 0.000 0.189 226 N C 1.932 177.458 175.510 0.026 0.000 1.039 226 N CA 0.579 53.657 53.050 0.047 0.000 0.889 226 N CB -0.463 38.066 38.487 0.070 0.000 1.085 226 N HN 0.336 nan 8.380 nan 0.000 0.442 227 L N 1.671 122.934 121.223 0.067 0.000 2.089 227 L HA -0.210 4.147 4.340 0.028 0.000 0.213 227 L C 1.713 178.549 176.870 -0.056 0.000 1.079 227 L CA 1.084 55.923 54.840 -0.001 0.000 0.758 227 L CB -0.629 41.426 42.059 -0.006 0.000 0.891 227 L HN 0.179 nan 8.230 nan 0.000 0.433 228 N N 0.416 119.084 118.700 -0.054 0.000 2.166 228 N HA -0.140 4.617 4.740 0.028 0.000 0.186 228 N C 1.914 177.346 175.510 -0.131 0.000 1.019 228 N CA 1.161 54.143 53.050 -0.114 0.000 0.856 228 N CB -0.232 38.187 38.487 -0.114 0.000 0.993 228 N HN 0.424 nan 8.380 nan 0.000 0.426 229 R N 0.208 120.650 120.500 -0.096 0.000 2.120 229 R HA -0.045 4.312 4.340 0.028 0.000 0.234 229 R C 1.888 178.106 176.300 -0.138 0.000 1.123 229 R CA 0.525 56.559 56.100 -0.108 0.000 0.975 229 R CB -0.256 30.002 30.300 -0.070 0.000 0.866 229 R HN 0.121 nan 8.270 nan 0.000 0.446 230 L N 1.240 122.387 121.223 -0.127 0.000 1.982 230 L HA -0.112 4.246 4.340 0.028 0.000 0.206 230 L C 2.050 178.817 176.870 -0.172 0.000 1.078 230 L CA 1.623 56.367 54.840 -0.159 0.000 0.749 230 L CB -0.586 41.407 42.059 -0.110 0.000 0.894 230 L HN 0.006 nan 8.230 nan 0.000 0.436 231 I N -0.011 120.476 120.570 -0.139 0.000 2.248 231 I HA -0.209 3.978 4.170 0.028 0.000 0.248 231 I C 2.542 178.537 176.117 -0.204 0.000 1.107 231 I CA 1.423 62.634 61.300 -0.148 0.000 1.373 231 I CB -2.678 35.203 38.000 -0.199 0.000 1.055 231 I HN 0.402 nan 8.210 nan 0.000 0.418 232 G N 0.097 108.766 108.800 -0.218 0.000 2.537 232 G HA2 -0.294 3.683 3.960 0.028 0.000 0.220 232 G HA3 -0.294 3.683 3.960 0.028 0.000 0.220 232 G C 1.621 176.409 174.900 -0.187 0.000 1.111 232 G CA 1.031 45.990 45.100 -0.235 0.000 0.748 232 G HN 0.441 nan 8.290 nan 0.000 0.564 233 Q N -0.234 119.453 119.800 -0.189 0.000 2.252 233 Q HA 0.187 4.544 4.340 0.028 0.000 0.195 233 Q C 2.333 178.273 176.000 -0.100 0.000 0.974 233 Q CA 0.028 55.706 55.803 -0.208 0.000 0.846 233 Q CB -0.538 27.926 28.738 -0.456 0.000 0.943 233 Q HN 0.181 nan 8.270 nan 0.000 0.516 234 I N 0.737 121.245 120.570 -0.103 0.000 2.236 234 I HA -0.226 3.961 4.170 0.028 0.000 0.249 234 I C 1.596 177.805 176.117 0.152 0.000 1.102 234 I CA 1.372 62.744 61.300 0.120 0.000 1.365 234 I CB -0.509 37.582 38.000 0.152 0.000 1.051 234 I HN 0.151 nan 8.210 nan 0.000 0.420 235 V N 0.187 120.150 119.914 0.082 0.000 2.427 235 V HA -0.202 3.935 4.120 0.028 0.000 0.248 235 V C 2.714 178.918 176.094 0.183 0.000 1.051 235 V CA 1.786 64.165 62.300 0.131 0.000 1.048 235 V CB -0.814 31.008 31.823 -0.001 0.000 0.666 235 V HN 0.498 nan 8.190 nan 0.000 0.456 236 S N 0.628 116.418 115.700 0.151 0.000 2.419 236 S HA -0.195 4.292 4.470 0.028 0.000 0.235 236 S C 2.244 176.968 174.600 0.207 0.000 1.019 236 S CA 1.910 60.257 58.200 0.245 0.000 0.982 236 S CB -0.351 62.949 63.200 0.167 0.000 0.789 236 S HN 0.811 nan 8.310 nan 0.000 0.490 237 S N 0.563 116.380 115.700 0.195 0.000 2.436 237 S HA 0.038 4.525 4.470 0.028 0.000 0.228 237 S C 1.666 176.380 174.600 0.190 0.000 1.014 237 S CA 0.374 58.687 58.200 0.188 0.000 0.950 237 S CB -0.381 62.943 63.200 0.206 0.000 0.784 237 S HN 0.409 nan 8.310 nan 0.000 0.504 238 I N 2.390 123.069 120.570 0.181 0.000 2.265 238 I HA -0.027 4.160 4.170 0.028 0.000 0.225 238 I C 2.602 178.826 176.117 0.178 0.000 1.061 238 I CA 1.341 62.742 61.300 0.167 0.000 1.357 238 I CB -1.987 36.011 38.000 -0.003 0.000 1.150 238 I HN 0.310 nan 8.210 nan 0.000 0.402 239 T N 1.439 116.088 114.554 0.158 0.000 2.558 239 T HA -0.028 4.339 4.350 0.028 0.000 0.247 239 T C 1.880 176.659 174.700 0.131 0.000 1.146 239 T CA 1.586 63.777 62.100 0.151 0.000 1.289 239 T CB -0.833 68.159 68.868 0.206 0.000 0.905 239 T HN 0.470 nan 8.240 nan 0.000 0.397 240 A N 2.089 124.945 122.820 0.060 0.000 2.467 240 A HA -0.340 3.997 4.320 0.028 0.000 0.251 240 A C 2.495 180.160 177.584 0.135 0.000 2.121 240 A CA 4.272 56.254 52.037 -0.092 0.000 1.025 240 A CB -1.823 17.082 19.000 -0.157 0.000 0.632 240 A HN 0.818 nan 8.150 nan 0.000 0.490 241 S N -1.059 114.754 115.700 0.190 0.000 2.383 241 S HA -0.140 4.347 4.470 0.028 0.000 0.229 241 S C 1.822 176.539 174.600 0.195 0.000 1.030 241 S CA 1.844 60.197 58.200 0.256 0.000 1.002 241 S CB -0.552 62.730 63.200 0.137 0.000 0.829 241 S HN 0.645 nan 8.310 nan 0.000 0.467 242 L N 2.053 123.386 121.223 0.183 0.000 2.027 242 L HA 0.156 4.513 4.340 0.028 0.000 0.206 242 L C 2.577 179.564 176.870 0.195 0.000 1.074 242 L CA 1.594 56.543 54.840 0.181 0.000 0.745 242 L CB -0.865 41.346 42.059 0.253 0.000 0.898 242 L HN 0.213 nan 8.230 nan 0.000 0.433 243 R N -0.804 119.813 120.500 0.196 0.000 2.377 243 R HA -0.061 4.296 4.340 0.028 0.000 0.207 243 R C 0.392 176.827 176.300 0.224 0.000 1.075 243 R CA 0.089 56.290 56.100 0.169 0.000 1.035 243 R CB -0.866 29.505 30.300 0.118 0.000 0.857 243 R HN 0.336 nan 8.270 nan 0.000 0.475 244 F N 1.864 121.854 119.950 0.067 0.000 2.420 244 F HA 0.156 4.700 4.527 0.028 0.000 0.342 244 F C -0.325 175.515 175.800 0.067 0.000 1.113 244 F CA -1.403 56.633 58.000 0.061 0.000 1.059 244 F CB 0.992 40.045 39.000 0.088 0.000 1.128 244 F HN -0.050 nan 8.300 nan 0.000 0.475 245 D N 3.050 123.845 120.400 0.658 0.000 2.461 245 D HA 0.362 5.019 4.640 0.028 0.000 0.231 245 D C 0.312 176.611 176.300 -0.001 0.000 1.208 245 D CA 1.493 55.659 54.000 0.276 0.000 0.879 245 D CB 0.693 41.667 40.800 0.291 0.000 1.220 245 D HN 0.909 nan 8.370 nan 0.000 0.480 246 G N -1.645 107.161 108.800 0.010 0.000 2.430 246 G HA2 0.488 4.465 3.960 0.028 0.000 0.300 246 G HA3 0.488 4.465 3.960 0.028 0.000 0.300 246 G C -0.253 174.665 174.900 0.029 0.000 1.330 246 G CA -0.208 44.880 45.100 -0.020 0.000 0.813 246 G HN 0.464 nan 8.290 nan 0.000 0.487 247 A N -1.218 121.624 122.820 0.037 0.000 2.208 247 A HA 0.508 4.845 4.320 0.028 0.000 0.209 247 A C 0.943 178.531 177.584 0.007 0.000 1.161 247 A CA 1.295 53.350 52.037 0.030 0.000 0.782 247 A CB -0.116 18.902 19.000 0.029 0.000 0.816 247 A HN 1.200 nan 8.150 nan 0.000 0.477 248 L N -0.021 121.205 121.223 0.004 0.000 3.035 248 L HA 0.249 4.606 4.340 0.028 0.000 0.338 248 L C -0.705 176.174 176.870 0.014 0.000 1.292 248 L CA -0.453 54.388 54.840 0.001 0.000 0.764 248 L CB -0.283 41.766 42.059 -0.017 0.000 1.187 248 L HN 0.136 nan 8.230 nan 0.000 0.574 249 N N 0.367 119.084 118.700 0.028 0.000 2.058 249 N HA -0.005 4.752 4.740 0.028 0.000 0.272 249 N C -0.464 175.077 175.510 0.052 0.000 1.224 249 N CA 0.823 53.902 53.050 0.049 0.000 0.826 249 N CB 0.760 39.284 38.487 0.061 0.000 1.062 249 N HN 0.091 nan 8.380 nan 0.000 0.472 250 V N 1.456 121.421 119.914 0.084 0.000 2.509 250 V HA 0.108 4.245 4.120 0.028 0.000 0.289 250 V C 0.201 176.417 176.094 0.204 0.000 1.026 250 V CA -1.033 61.320 62.300 0.088 0.000 0.872 250 V CB 1.711 33.537 31.823 0.004 0.000 1.017 250 V HN 0.582 nan 8.190 nan 0.000 0.436 251 D N 2.483 122.992 120.400 0.182 0.000 2.363 251 D HA 0.213 4.870 4.640 0.028 0.000 0.240 251 D C 1.160 177.669 176.300 0.348 0.000 1.236 251 D CA -0.067 54.056 54.000 0.206 0.000 0.927 251 D CB 1.490 42.367 40.800 0.129 0.000 1.150 251 D HN 0.382 nan 8.370 nan 0.000 0.458 252 L N 0.895 122.259 121.223 0.235 0.000 2.017 252 L HA -0.211 4.146 4.340 0.028 0.000 0.208 252 L C 2.528 179.551 176.870 0.254 0.000 1.073 252 L CA 1.577 56.526 54.840 0.181 0.000 0.745 252 L CB -0.825 41.233 42.059 -0.001 0.000 0.894 252 L HN 0.561 nan 8.230 nan 0.000 0.432 253 T N -1.705 112.940 114.554 0.152 0.000 2.597 253 T HA -0.270 4.097 4.350 0.028 0.000 0.267 253 T C 1.578 176.387 174.700 0.182 0.000 1.053 253 T CA 1.492 63.663 62.100 0.120 0.000 1.165 253 T CB -0.589 68.321 68.868 0.070 0.000 0.863 253 T HN 0.328 nan 8.240 nan 0.000 0.427 254 E N 0.882 121.195 120.200 0.189 0.000 2.196 254 E HA -0.232 4.135 4.350 0.028 0.000 0.222 254 E C 1.770 178.456 176.600 0.144 0.000 1.072 254 E CA 1.806 58.288 56.400 0.136 0.000 0.902 254 E CB -0.607 29.155 29.700 0.103 0.000 0.780 254 E HN 0.513 nan 8.360 nan 0.000 0.467 255 F N 1.312 121.307 119.950 0.076 0.000 2.014 255 F HA -0.310 4.234 4.527 0.029 0.000 0.299 255 F C 3.002 178.828 175.800 0.045 0.000 1.224 255 F CA 2.172 60.227 58.000 0.093 0.000 1.200 255 F CB -1.395 37.693 39.000 0.147 0.000 0.948 255 F HN 0.155 nan 8.300 nan 0.000 0.520 256 Q N -0.465 119.492 119.800 0.262 0.000 2.207 256 Q HA -0.304 4.053 4.340 0.028 0.000 0.215 256 Q C 1.726 177.760 176.000 0.058 0.000 1.006 256 Q CA 2.597 58.457 55.803 0.094 0.000 0.903 256 Q CB -1.623 27.136 28.738 0.035 0.000 0.947 256 Q HN 0.506 nan 8.270 nan 0.000 0.414 257 T N 1.502 116.094 114.554 0.065 0.000 2.639 257 T HA -0.092 4.275 4.350 0.028 0.000 0.261 257 T C 1.583 176.297 174.700 0.024 0.000 1.053 257 T CA 1.338 63.455 62.100 0.028 0.000 1.158 257 T CB -0.330 68.555 68.868 0.029 0.000 0.863 257 T HN 0.415 nan 8.240 nan 0.000 0.413 258 N N 0.867 119.586 118.700 0.031 0.000 2.550 258 N HA 0.120 4.877 4.740 0.028 0.000 0.186 258 N C 1.406 176.943 175.510 0.045 0.000 1.110 258 N CA 0.493 53.557 53.050 0.023 0.000 0.912 258 N CB 0.096 38.576 38.487 -0.012 0.000 0.968 258 N HN 0.347 nan 8.380 nan 0.000 0.448 259 L N 0.269 121.533 121.223 0.069 0.000 2.642 259 L HA 0.168 4.525 4.340 0.028 0.000 0.233 259 L C 0.403 177.349 176.870 0.126 0.000 1.077 259 L CA 0.117 55.021 54.840 0.107 0.000 0.879 259 L CB 0.761 42.910 42.059 0.149 0.000 1.151 259 L HN -0.099 nan 8.230 nan 0.000 0.495 260 V N -2.463 117.495 119.914 0.073 0.000 2.384 260 V HA 0.425 4.562 4.120 0.028 0.000 0.287 260 V C -2.194 173.859 176.094 -0.068 0.000 1.020 260 V CA -1.319 61.017 62.300 0.059 0.000 0.850 260 V CB 1.625 33.435 31.823 -0.020 0.000 0.987 260 V HN -0.054 nan 8.190 nan 0.000 0.436 261 P HA 0.257 nan 4.420 nan 0.000 0.230 261 P C -0.852 175.781 177.300 -1.111 0.000 1.168 261 P CA 0.712 63.481 63.100 -0.552 0.000 0.793 261 P CB 0.072 31.531 31.700 -0.403 0.000 0.851 262 Y N -1.999 118.155 120.300 -0.243 0.000 2.504 262 Y HA 0.272 4.839 4.550 0.028 0.000 0.344 262 Y C -1.571 174.059 175.900 -0.450 0.000 1.023 262 Y CA -2.410 55.492 58.100 -0.331 0.000 1.020 262 Y CB 1.195 39.513 38.460 -0.237 0.000 1.282 262 Y HN -0.266 nan 8.280 nan 0.000 0.454 263 P HA -0.268 nan 4.420 nan 0.000 0.221 263 P C -0.103 177.109 177.300 -0.146 0.000 1.153 263 P CA 1.352 64.381 63.100 -0.119 0.000 0.858 263 P CB 0.183 31.847 31.700 -0.060 0.000 0.783 264 R N 0.509 120.912 120.500 -0.161 0.000 2.504 264 R HA 0.085 4.442 4.340 0.028 0.000 0.291 264 R C 1.701 177.955 176.300 -0.076 0.000 0.974 264 R CA 0.681 56.761 56.100 -0.032 0.000 1.077 264 R CB -1.397 29.022 30.300 0.198 0.000 0.926 264 R HN 0.138 nan 8.270 nan 0.000 0.407 265 G N 3.526 112.245 108.800 -0.135 0.000 3.241 265 G HA2 -0.183 3.794 3.960 0.028 0.000 0.199 265 G HA3 -0.183 3.794 3.960 0.028 0.000 0.199 265 G C 0.295 174.902 174.900 -0.487 0.000 1.210 265 G CA 0.039 44.968 45.100 -0.285 0.000 1.182 265 G HN 0.707 nan 8.290 nan 0.000 0.508 266 H N -0.855 118.036 119.070 -0.298 0.000 3.142 266 H HA -0.180 4.393 4.556 0.028 0.000 0.292 266 H C -0.361 174.872 175.328 -0.157 0.000 0.927 266 H CA 0.493 56.542 56.048 0.002 0.000 1.334 266 H CB 0.161 30.073 29.762 0.250 0.000 1.179 266 H HN 0.252 nan 8.280 nan 0.000 0.586 267 F N 4.434 124.595 119.950 0.351 0.000 2.311 267 F HA 0.283 4.827 4.527 0.028 0.000 0.371 267 F C -2.050 173.804 175.800 0.091 0.000 1.083 267 F CA -3.043 55.080 58.000 0.204 0.000 1.113 267 F CB 0.393 39.591 39.000 0.330 0.000 1.349 267 F HN 0.272 nan 8.300 nan 0.000 0.470 268 P HA 0.402 nan 4.420 nan 0.000 0.279 268 P C -0.722 176.631 177.300 0.087 0.000 1.282 268 P CA -0.421 62.752 63.100 0.121 0.000 0.788 268 P CB 1.617 33.414 31.700 0.163 0.000 1.139 269 L N -0.681 120.561 121.223 0.032 0.000 2.346 269 L HA 0.729 5.086 4.340 0.028 0.000 0.274 269 L C 0.295 177.171 176.870 0.010 0.000 1.007 269 L CA -1.209 53.613 54.840 -0.030 0.000 0.818 269 L CB 1.635 43.621 42.059 -0.123 0.000 1.284 269 L HN 0.283 nan 8.230 nan 0.000 0.424 270 A N 1.510 124.328 122.820 -0.004 0.000 2.310 270 A HA 0.844 5.181 4.320 0.028 0.000 0.299 270 A C -0.234 177.360 177.584 0.017 0.000 1.147 270 A CA -0.235 51.814 52.037 0.020 0.000 0.818 270 A CB 0.894 19.937 19.000 0.072 0.000 1.096 270 A HN 0.722 nan 8.150 nan 0.000 0.495 271 T N 0.935 115.501 114.554 0.020 0.000 2.916 271 T HA 0.529 4.896 4.350 0.028 0.000 0.305 271 T C -1.623 173.119 174.700 0.069 0.000 1.119 271 T CA -0.163 61.942 62.100 0.007 0.000 1.008 271 T CB 1.088 69.906 68.868 -0.083 0.000 1.129 271 T HN 0.542 nan 8.240 nan 0.000 0.480 272 Y N 0.508 120.765 120.300 -0.071 0.000 2.536 272 Y HA 0.682 5.249 4.550 0.029 0.000 0.347 272 Y C 0.520 176.372 175.900 -0.079 0.000 1.000 272 Y CA -0.613 57.446 58.100 -0.069 0.000 1.051 272 Y CB 1.579 40.016 38.460 -0.038 0.000 1.259 272 Y HN 0.734 nan 8.280 nan 0.000 0.468 273 A N 3.312 125.915 122.820 -0.362 0.000 1.922 273 A HA 0.284 4.621 4.320 0.028 0.000 0.216 273 A C -1.905 175.660 177.584 -0.032 0.000 1.370 273 A CA 0.114 52.036 52.037 -0.190 0.000 0.627 273 A CB -1.401 17.431 19.000 -0.280 0.000 1.060 273 A HN 0.569 nan 8.150 nan 0.000 0.487 274 P HA 0.178 nan 4.420 nan 0.000 0.252 274 P C -0.232 177.198 177.300 0.217 0.000 1.694 274 P CA 0.197 63.352 63.100 0.092 0.000 1.163 274 P CB -0.228 31.520 31.700 0.080 0.000 1.934 275 V N 1.621 121.636 119.914 0.168 0.000 2.838 275 V HA 0.270 4.407 4.120 0.028 0.000 0.356 275 V C 0.562 176.699 176.094 0.071 0.000 1.302 275 V CA -0.621 61.758 62.300 0.133 0.000 1.495 275 V CB -0.407 31.479 31.823 0.105 0.000 1.505 275 V HN 0.255 nan 8.190 nan 0.000 0.574 276 I N 2.153 122.769 120.570 0.078 0.000 2.577 276 I HA 0.532 4.719 4.170 0.028 0.000 0.300 276 I C 0.650 176.780 176.117 0.021 0.000 0.990 276 I CA 0.219 61.545 61.300 0.043 0.000 1.283 276 I CB 2.282 40.323 38.000 0.069 0.000 1.411 276 I HN 0.580 nan 8.210 nan 0.000 0.515 277 S N 5.847 121.517 115.700 -0.050 0.000 2.528 277 S HA 0.420 4.907 4.470 0.028 0.000 0.277 277 S C 0.418 174.926 174.600 -0.153 0.000 1.297 277 S CA -0.623 57.525 58.200 -0.087 0.000 1.052 277 S CB 1.135 64.265 63.200 -0.116 0.000 0.917 277 S HN 0.769 nan 8.310 nan 0.000 0.492 278 A N 2.291 125.103 122.820 -0.014 0.000 3.033 278 A HA 0.344 4.681 4.320 0.028 0.000 0.250 278 A C 0.979 178.607 177.584 0.075 0.000 1.633 278 A CA -0.386 51.736 52.037 0.140 0.000 1.290 278 A CB -0.733 18.378 19.000 0.185 0.000 1.048 278 A HN 0.970 nan 8.150 nan 0.000 0.648 279 E N -1.062 119.007 120.200 -0.219 0.000 2.628 279 E HA -0.021 4.346 4.350 0.028 0.000 0.275 279 E C 0.783 177.227 176.600 -0.261 0.000 1.118 279 E CA 0.051 56.384 56.400 -0.112 0.000 1.989 279 E CB -0.123 29.552 29.700 -0.042 0.000 2.738 279 E HN 0.387 nan 8.360 nan 0.000 1.053 280 K N 2.131 122.367 120.400 -0.273 0.000 2.001 280 K HA 0.097 4.434 4.320 0.028 0.000 0.221 280 K C 0.866 177.277 176.600 -0.314 0.000 0.991 280 K CA 1.222 57.376 56.287 -0.222 0.000 1.047 280 K CB -0.491 31.915 32.500 -0.157 0.000 0.867 280 K HN 0.169 nan 8.250 nan 0.000 0.469 281 A N -0.402 122.245 122.820 -0.288 0.000 2.386 281 A HA 0.268 4.605 4.320 0.028 0.000 0.246 281 A C -0.980 176.385 177.584 -0.366 0.000 1.089 281 A CA 0.382 52.298 52.037 -0.201 0.000 0.790 281 A CB -0.086 18.860 19.000 -0.090 0.000 1.042 281 A HN 0.517 nan 8.150 nan 0.000 0.497 282 Y N 0.247 120.587 120.300 0.066 0.000 2.347 282 Y HA 0.203 4.770 4.550 0.029 0.000 0.339 282 Y C 0.337 176.301 175.900 0.106 0.000 1.152 282 Y CA -0.469 57.675 58.100 0.073 0.000 1.321 282 Y CB 1.187 39.672 38.460 0.042 0.000 1.137 282 Y HN 0.965 nan 8.280 nan 0.000 0.486 283 H N 2.019 121.219 119.070 0.216 0.000 3.058 283 H HA 0.115 4.688 4.556 0.029 0.000 0.266 283 H C 0.978 176.372 175.328 0.111 0.000 1.135 283 H CA 0.677 56.797 56.048 0.120 0.000 1.174 283 H CB 0.625 30.433 29.762 0.077 0.000 1.581 283 H HN 0.828 nan 8.280 nan 0.000 0.553 284 E N 0.832 121.225 120.200 0.321 0.000 2.755 284 E HA -0.315 4.052 4.350 0.028 0.000 0.241 284 E C 0.577 177.284 176.600 0.179 0.000 0.977 284 E CA 1.834 58.366 56.400 0.219 0.000 1.398 284 E CB -0.552 29.219 29.700 0.117 0.000 1.343 284 E HN 0.352 nan 8.360 nan 0.000 0.482 285 Q N 0.628 120.491 119.800 0.106 0.000 2.504 285 Q HA -0.026 4.332 4.340 0.028 0.000 0.263 285 Q C -0.681 175.418 176.000 0.165 0.000 1.343 285 Q CA 0.498 56.344 55.803 0.071 0.000 0.924 285 Q CB -0.188 28.542 28.738 -0.014 0.000 1.551 285 Q HN 0.134 nan 8.270 nan 0.000 0.520 286 L N 2.500 123.825 121.223 0.170 0.000 2.599 286 L HA 0.128 4.485 4.340 0.028 0.000 0.241 286 L C 0.096 177.022 176.870 0.094 0.000 1.207 286 L CA -0.359 54.586 54.840 0.175 0.000 0.987 286 L CB 0.364 42.497 42.059 0.123 0.000 1.318 286 L HN 0.377 nan 8.230 nan 0.000 0.458 287 S N 0.590 116.341 115.700 0.084 0.000 2.536 287 S HA -0.061 4.426 4.470 0.028 0.000 0.294 287 S C 1.695 176.329 174.600 0.056 0.000 1.289 287 S CA 0.183 58.416 58.200 0.055 0.000 1.035 287 S CB 0.293 63.519 63.200 0.043 0.000 0.783 287 S HN 0.352 nan 8.310 nan 0.000 0.497 288 V N 3.764 123.714 119.914 0.060 0.000 2.230 288 V HA -0.397 3.740 4.120 0.028 0.000 0.256 288 V C 3.069 179.215 176.094 0.088 0.000 1.064 288 V CA 2.993 65.353 62.300 0.100 0.000 1.050 288 V CB -2.076 29.808 31.823 0.100 0.000 0.666 288 V HN 1.224 nan 8.190 nan 0.000 0.457 289 A N -0.883 121.971 122.820 0.058 0.000 2.082 289 A HA -0.367 3.970 4.320 0.028 0.000 0.224 289 A C 1.995 179.607 177.584 0.045 0.000 1.179 289 A CA 2.749 54.812 52.037 0.043 0.000 0.670 289 A CB -0.536 18.478 19.000 0.023 0.000 0.817 289 A HN 0.747 nan 8.150 nan 0.000 0.475 290 E N -0.490 119.736 120.200 0.044 0.000 2.065 290 E HA 0.050 4.418 4.350 0.028 0.000 0.191 290 E C 1.972 178.587 176.600 0.024 0.000 0.960 290 E CA 0.843 57.260 56.400 0.027 0.000 0.824 290 E CB -0.524 29.184 29.700 0.013 0.000 0.793 290 E HN 0.790 nan 8.360 nan 0.000 0.459 291 I N -0.550 120.030 120.570 0.016 0.000 2.502 291 I HA -0.213 3.974 4.170 0.028 0.000 0.258 291 I C 1.500 177.596 176.117 -0.035 0.000 1.172 291 I CA 1.445 62.729 61.300 -0.026 0.000 1.430 291 I CB -0.471 37.492 38.000 -0.061 0.000 1.086 291 I HN -0.060 nan 8.210 nan 0.000 0.440 292 T N 0.956 115.535 114.554 0.042 0.000 2.978 292 T HA -0.050 4.317 4.350 0.028 0.000 0.262 292 T C 1.729 176.552 174.700 0.205 0.000 1.063 292 T CA 1.313 63.479 62.100 0.110 0.000 1.140 292 T CB -0.345 68.662 68.868 0.231 0.000 0.886 292 T HN 0.422 nan 8.240 nan 0.000 0.470 293 N N 1.796 120.587 118.700 0.151 0.000 2.354 293 N HA 0.072 4.829 4.740 0.028 0.000 0.179 293 N C 1.661 177.266 175.510 0.159 0.000 1.021 293 N CA 0.904 54.060 53.050 0.177 0.000 0.887 293 N CB -0.273 38.264 38.487 0.084 0.000 0.974 293 N HN 0.324 nan 8.380 nan 0.000 0.437 294 A N -0.953 121.910 122.820 0.073 0.000 2.239 294 A HA 0.043 4.380 4.320 0.028 0.000 0.209 294 A C 2.157 179.738 177.584 -0.005 0.000 1.171 294 A CA 0.388 52.442 52.037 0.028 0.000 0.768 294 A CB -0.759 18.238 19.000 -0.005 0.000 0.790 294 A HN 0.491 nan 8.150 nan 0.000 0.478 295 C N -2.394 116.888 119.300 -0.030 0.000 2.518 295 C HA 0.187 4.664 4.460 0.028 0.000 0.283 295 C C 1.960 176.792 174.990 -0.263 0.000 1.351 295 C CA 0.241 59.132 59.018 -0.211 0.000 1.745 295 C CB -1.227 26.269 27.740 -0.407 0.000 2.107 295 C HN 0.702 nan 8.230 nan 0.000 0.502 296 F N 2.119 122.082 119.950 0.022 0.000 2.710 296 F HA 0.055 4.599 4.527 0.029 0.000 0.298 296 F C 1.222 177.050 175.800 0.047 0.000 1.137 296 F CA 0.203 58.232 58.000 0.048 0.000 1.444 296 F CB -0.507 38.495 39.000 0.004 0.000 1.111 296 F HN 0.352 nan 8.300 nan 0.000 0.580 297 E N 3.619 123.915 120.200 0.161 0.000 2.324 297 E HA 0.024 4.391 4.350 0.028 0.000 0.271 297 E C -1.908 174.725 176.600 0.055 0.000 1.028 297 E CA -1.654 54.803 56.400 0.095 0.000 0.890 297 E CB 0.370 30.106 29.700 0.060 0.000 1.004 297 E HN 0.071 nan 8.360 nan 0.000 0.431 298 P HA -0.213 nan 4.420 nan 0.000 0.222 298 P C 0.483 177.777 177.300 -0.010 0.000 1.142 298 P CA 1.144 64.248 63.100 0.006 0.000 0.788 298 P CB 0.157 31.856 31.700 -0.002 0.000 0.767 299 A N -0.178 122.643 122.820 0.001 0.000 2.840 299 A HA 0.203 4.540 4.320 0.028 0.000 0.269 299 A C 0.602 178.185 177.584 -0.003 0.000 1.439 299 A CA -0.063 51.972 52.037 -0.003 0.000 1.083 299 A CB -1.564 17.438 19.000 0.003 0.000 1.019 299 A HN 0.184 nan 8.150 nan 0.000 0.607 300 N N -0.222 118.471 118.700 -0.011 0.000 2.471 300 N HA 0.014 4.771 4.740 0.028 0.000 0.253 300 N C 0.176 175.676 175.510 -0.018 0.000 1.451 300 N CA 0.167 53.213 53.050 -0.006 0.000 1.068 300 N CB 0.156 38.643 38.487 -0.000 0.000 1.396 300 N HN 0.514 nan 8.380 nan 0.000 0.524 301 Q N 0.150 119.929 119.800 -0.035 0.000 2.135 301 Q HA 0.332 4.689 4.340 0.028 0.000 0.231 301 Q C -0.116 175.849 176.000 -0.058 0.000 0.817 301 Q CA -0.367 55.405 55.803 -0.051 0.000 1.073 301 Q CB 0.114 28.805 28.738 -0.077 0.000 1.176 301 Q HN 0.227 nan 8.270 nan 0.000 0.478 302 M N 0.398 119.969 119.600 -0.048 0.000 2.210 302 M HA -0.192 4.305 4.480 0.028 0.000 0.198 302 M C -0.935 175.299 176.300 -0.111 0.000 0.319 302 M CA 0.413 55.677 55.300 -0.060 0.000 0.399 302 M CB -1.531 31.061 32.600 -0.015 0.000 1.227 302 M HN 0.302 nan 8.290 nan 0.000 0.931 303 V N 0.066 119.894 119.914 -0.142 0.000 2.859 303 V HA 0.200 4.337 4.120 0.028 0.000 0.276 303 V C -0.281 175.691 176.094 -0.204 0.000 1.496 303 V CA -0.803 61.363 62.300 -0.223 0.000 0.929 303 V CB 2.238 33.901 31.823 -0.268 0.000 1.147 303 V HN 0.374 nan 8.190 nan 0.000 0.449 304 K N 4.296 124.565 120.400 -0.218 0.000 3.322 304 K HA 0.226 4.563 4.320 0.028 0.000 0.291 304 K C 0.304 176.798 176.600 -0.177 0.000 1.131 304 K CA 0.578 56.770 56.287 -0.157 0.000 1.185 304 K CB -0.585 31.843 32.500 -0.120 0.000 1.338 304 K HN 0.631 nan 8.250 nan 0.000 0.380 305 C N 2.196 121.373 119.300 -0.205 0.000 2.660 305 C HA 0.235 4.712 4.460 0.028 0.000 0.265 305 C C -0.751 174.131 174.990 -0.180 0.000 1.573 305 C CA -0.940 57.949 59.018 -0.215 0.000 1.751 305 C CB -1.306 26.252 27.740 -0.304 0.000 3.033 305 C HN 0.606 nan 8.230 nan 0.000 0.511 306 D N 3.036 123.360 120.400 -0.125 0.000 3.046 306 D HA -0.100 4.557 4.640 0.028 0.000 0.213 306 D C -2.074 174.158 176.300 -0.112 0.000 1.074 306 D CA 0.184 54.129 54.000 -0.093 0.000 0.785 306 D CB 0.218 40.987 40.800 -0.052 0.000 1.160 306 D HN 0.292 nan 8.370 nan 0.000 0.524 307 P HA -0.054 nan 4.420 nan 0.000 0.233 307 P C 0.890 178.137 177.300 -0.088 0.000 1.576 307 P CA 0.121 63.119 63.100 -0.170 0.000 0.962 307 P CB -0.347 31.276 31.700 -0.127 0.000 1.859 308 R N 1.725 122.200 120.500 -0.042 0.000 2.355 308 R HA -0.181 4.176 4.340 0.028 0.000 0.219 308 R C 1.113 177.521 176.300 0.180 0.000 1.107 308 R CA 1.623 57.766 56.100 0.072 0.000 1.021 308 R CB -0.152 30.219 30.300 0.118 0.000 0.852 308 R HN 0.503 nan 8.270 nan 0.000 0.475 309 H N -6.070 112.956 119.070 -0.072 0.000 1.811 309 H HA -0.052 4.521 4.556 0.028 0.000 0.116 309 H C 0.316 175.589 175.328 -0.091 0.000 0.940 309 H CA 0.146 56.157 56.048 -0.061 0.000 0.424 309 H CB -1.091 28.646 29.762 -0.042 0.000 0.324 309 H HN 0.113 nan 8.280 nan 0.000 0.220 310 G N 4.091 112.329 108.800 -0.936 0.000 2.138 310 G HA2 0.167 4.144 3.960 0.028 0.000 0.263 310 G HA3 0.167 4.144 3.960 0.028 0.000 0.263 310 G C -0.191 174.436 174.900 -0.454 0.000 1.103 310 G CA 0.006 44.654 45.100 -0.753 0.000 1.014 310 G HN 0.382 nan 8.290 nan 0.000 0.418 311 K N 2.396 122.610 120.400 -0.311 0.000 2.322 311 K HA 0.152 4.489 4.320 0.028 0.000 0.283 311 K C -0.262 176.178 176.600 -0.267 0.000 1.042 311 K CA -0.232 55.922 56.287 -0.220 0.000 0.958 311 K CB 0.832 33.251 32.500 -0.134 0.000 0.984 311 K HN 0.525 nan 8.250 nan 0.000 0.473 312 Y N 2.208 122.259 120.300 -0.415 0.000 2.511 312 Y HA -0.106 4.461 4.550 0.029 0.000 0.347 312 Y C 1.533 177.286 175.900 -0.246 0.000 1.257 312 Y CA 0.469 58.319 58.100 -0.415 0.000 1.469 312 Y CB 0.471 38.463 38.460 -0.780 0.000 1.353 312 Y HN 0.560 nan 8.280 nan 0.000 0.617 313 M N 0.058 119.706 119.600 0.080 0.000 2.241 313 M HA 0.731 5.228 4.480 0.028 0.000 0.374 313 M C -0.553 175.871 176.300 0.206 0.000 0.922 313 M CA -0.163 55.185 55.300 0.081 0.000 1.031 313 M CB 1.012 33.695 32.600 0.139 0.000 1.864 313 M HN 0.446 nan 8.290 nan 0.000 0.636 314 A N 0.947 123.898 122.820 0.218 0.000 2.319 314 A HA 0.537 4.874 4.320 0.028 0.000 0.298 314 A C -1.224 176.413 177.584 0.088 0.000 1.003 314 A CA -0.842 51.285 52.037 0.150 0.000 0.901 314 A CB -0.137 18.959 19.000 0.160 0.000 1.042 314 A HN 0.468 nan 8.150 nan 0.000 0.352 315 C N 0.767 120.033 119.300 -0.057 0.000 2.563 315 C HA 0.768 5.245 4.460 0.028 0.000 0.314 315 C C 0.464 175.402 174.990 -0.087 0.000 1.199 315 C CA -0.722 58.233 59.018 -0.104 0.000 1.564 315 C CB 0.976 28.531 27.740 -0.309 0.000 2.173 315 C HN 1.261 nan 8.230 nan 0.000 0.485 316 C N 4.448 123.731 119.300 -0.029 0.000 2.357 316 C HA 0.516 4.993 4.460 0.028 0.000 0.300 316 C C 0.004 175.001 174.990 0.011 0.000 1.074 316 C CA -0.394 58.597 59.018 -0.044 0.000 1.566 316 C CB -1.968 25.677 27.740 -0.158 0.000 1.791 316 C HN 0.891 nan 8.230 nan 0.000 0.415 317 L N 5.982 127.275 121.223 0.117 0.000 2.536 317 L HA 0.215 4.572 4.340 0.028 0.000 0.282 317 L C 0.100 177.111 176.870 0.235 0.000 1.147 317 L CA 0.425 55.383 54.840 0.196 0.000 0.936 317 L CB 0.093 42.448 42.059 0.492 0.000 1.279 317 L HN 0.534 nan 8.230 nan 0.000 0.461 318 L N 4.322 125.592 121.223 0.077 0.000 2.283 318 L HA 0.295 4.652 4.340 0.028 0.000 0.287 318 L C -0.426 176.473 176.870 0.047 0.000 1.073 318 L CA -0.315 54.588 54.840 0.104 0.000 0.822 318 L CB 0.116 42.220 42.059 0.075 0.000 1.186 318 L HN 0.356 nan 8.230 nan 0.000 0.436 319 Y N 3.186 123.464 120.300 -0.037 0.000 2.496 319 Y HA 0.692 5.259 4.550 0.029 0.000 0.331 319 Y C 0.241 176.104 175.900 -0.063 0.000 1.140 319 Y CA -0.968 57.095 58.100 -0.062 0.000 1.166 319 Y CB 1.601 40.026 38.460 -0.057 0.000 1.249 319 Y HN 0.498 nan 8.280 nan 0.000 0.479 320 R N 0.276 120.820 120.500 0.074 0.000 2.604 320 R HA 0.761 5.118 4.340 0.028 0.000 0.270 320 R C -0.478 175.810 176.300 -0.019 0.000 1.052 320 R CA -0.511 55.594 56.100 0.009 0.000 0.902 320 R CB 1.735 32.042 30.300 0.012 0.000 1.233 320 R HN 0.993 nan 8.270 nan 0.000 0.455 321 G N 1.393 110.146 108.800 -0.078 0.000 2.472 321 G HA2 -0.150 3.827 3.960 0.028 0.000 0.205 321 G HA3 -0.150 3.827 3.960 0.028 0.000 0.205 321 G C -1.521 173.251 174.900 -0.214 0.000 1.270 321 G CA -0.386 44.644 45.100 -0.117 0.000 0.974 321 G HN 0.664 nan 8.290 nan 0.000 0.542 322 D N 1.137 121.429 120.400 -0.181 0.000 2.383 322 D HA 0.435 5.092 4.640 0.028 0.000 0.245 322 D C -0.027 176.206 176.300 -0.112 0.000 1.263 322 D CA 0.526 54.410 54.000 -0.194 0.000 0.936 322 D CB 1.094 41.812 40.800 -0.138 0.000 1.053 322 D HN 0.481 nan 8.370 nan 0.000 0.507 323 V N 2.730 122.568 119.914 -0.126 0.000 2.569 323 V HA 0.162 4.299 4.120 0.028 0.000 0.301 323 V C 0.235 176.263 176.094 -0.110 0.000 1.044 323 V CA -0.963 61.285 62.300 -0.088 0.000 0.874 323 V CB 2.402 34.189 31.823 -0.059 0.000 1.002 323 V HN 0.121 nan 8.190 nan 0.000 0.424 324 V N 7.499 127.356 119.914 -0.094 0.000 2.408 324 V HA 0.189 4.326 4.120 0.028 0.000 0.267 324 V C -1.285 174.741 176.094 -0.114 0.000 1.047 324 V CA -1.171 61.077 62.300 -0.087 0.000 0.937 324 V CB 1.515 33.299 31.823 -0.064 0.000 0.999 324 V HN 0.737 nan 8.190 nan 0.000 0.472 325 P HA -0.210 nan 4.420 nan 0.000 0.218 325 P C 1.707 178.932 177.300 -0.125 0.000 1.147 325 P CA 1.200 64.221 63.100 -0.131 0.000 0.827 325 P CB 0.232 31.876 31.700 -0.093 0.000 0.778 326 K N -0.334 120.009 120.400 -0.096 0.000 2.062 326 K HA -0.135 4.203 4.320 0.028 0.000 0.205 326 K C 1.485 178.027 176.600 -0.095 0.000 1.051 326 K CA 1.377 57.612 56.287 -0.086 0.000 0.941 326 K CB -0.627 31.835 32.500 -0.064 0.000 0.719 326 K HN 0.015 nan 8.250 nan 0.000 0.440 327 D N 0.654 120.998 120.400 -0.092 0.000 2.149 327 D HA -0.164 4.493 4.640 0.028 0.000 0.194 327 D C 1.938 178.172 176.300 -0.110 0.000 1.001 327 D CA 1.303 55.254 54.000 -0.083 0.000 0.849 327 D CB -0.092 40.666 40.800 -0.069 0.000 0.939 327 D HN 0.063 nan 8.370 nan 0.000 0.449 328 V N 0.682 120.488 119.914 -0.181 0.000 2.273 328 V HA -0.107 4.030 4.120 0.028 0.000 0.242 328 V C 1.572 177.554 176.094 -0.187 0.000 1.035 328 V CA 0.912 63.060 62.300 -0.252 0.000 1.013 328 V CB -0.570 30.986 31.823 -0.445 0.000 0.652 328 V HN 0.153 nan 8.190 nan 0.000 0.452 329 N N 0.584 119.184 118.700 -0.168 0.000 3.085 329 N HA 0.184 4.941 4.740 0.028 0.000 0.313 329 N C 0.393 175.826 175.510 -0.129 0.000 1.277 329 N CA 0.851 53.814 53.050 -0.145 0.000 1.150 329 N CB 0.530 38.947 38.487 -0.117 0.000 1.437 329 N HN 0.582 nan 8.380 nan 0.000 0.558 330 A N -0.683 122.057 122.820 -0.134 0.000 1.428 330 A HA 0.205 4.543 4.320 0.028 0.000 0.209 330 A C 1.617 179.134 177.584 -0.113 0.000 1.887 330 A CA 0.587 52.557 52.037 -0.112 0.000 1.545 330 A CB -0.894 18.055 19.000 -0.085 0.000 1.456 330 A HN 0.253 nan 8.150 nan 0.000 0.330 331 A N 0.340 123.104 122.820 -0.093 0.000 1.972 331 A HA 0.052 4.389 4.320 0.028 0.000 0.219 331 A C 1.920 179.441 177.584 -0.105 0.000 1.169 331 A CA 1.741 53.743 52.037 -0.058 0.000 0.635 331 A CB -0.624 18.379 19.000 0.005 0.000 0.810 331 A HN 0.543 nan 8.150 nan 0.000 0.446 332 I N -0.838 119.625 120.570 -0.179 0.000 2.406 332 I HA -0.152 4.035 4.170 0.028 0.000 0.249 332 I C 2.918 178.779 176.117 -0.426 0.000 1.122 332 I CA 0.728 61.803 61.300 -0.375 0.000 1.431 332 I CB -0.251 37.462 38.000 -0.478 0.000 1.087 332 I HN 0.352 nan 8.210 nan 0.000 0.424 333 A N 0.139 122.785 122.820 -0.290 0.000 1.883 333 A HA -0.265 4.072 4.320 0.028 0.000 0.217 333 A C 2.407 179.869 177.584 -0.202 0.000 1.186 333 A CA 2.603 54.496 52.037 -0.240 0.000 0.624 333 A CB -1.190 17.709 19.000 -0.168 0.000 0.822 333 A HN 0.341 nan 8.150 nan 0.000 0.444 334 T N -0.158 114.299 114.554 -0.162 0.000 2.699 334 T HA -0.146 4.221 4.350 0.028 0.000 0.268 334 T C 1.787 176.397 174.700 -0.150 0.000 1.036 334 T CA 1.701 63.725 62.100 -0.126 0.000 1.147 334 T CB -0.436 68.377 68.868 -0.091 0.000 0.862 334 T HN 0.301 nan 8.240 nan 0.000 0.446 335 I N 0.954 121.400 120.570 -0.207 0.000 2.163 335 I HA -0.054 4.133 4.170 0.028 0.000 0.240 335 I C 2.430 178.420 176.117 -0.212 0.000 1.081 335 I CA 1.302 62.452 61.300 -0.251 0.000 1.353 335 I CB -1.498 36.281 38.000 -0.367 0.000 1.054 335 I HN 0.207 nan 8.210 nan 0.000 0.407 336 K N 1.464 121.695 120.400 -0.281 0.000 2.374 336 K HA -0.183 4.155 4.320 0.028 0.000 0.202 336 K C 1.150 177.681 176.600 -0.116 0.000 1.044 336 K CA 1.677 57.833 56.287 -0.218 0.000 0.933 336 K CB -0.539 31.776 32.500 -0.309 0.000 0.745 336 K HN 0.568 nan 8.250 nan 0.000 0.474 337 T N -3.711 110.776 114.554 -0.112 0.000 3.266 337 T HA 0.318 4.685 4.350 0.028 0.000 0.278 337 T C 0.912 175.577 174.700 -0.058 0.000 1.010 337 T CA -0.633 61.423 62.100 -0.074 0.000 0.909 337 T CB 0.336 69.158 68.868 -0.076 0.000 1.122 337 T HN 0.035 nan 8.240 nan 0.000 0.536 338 K N 0.583 120.947 120.400 -0.061 0.000 2.361 338 K HA 0.191 4.528 4.320 0.028 0.000 0.194 338 K C 1.237 177.820 176.600 -0.028 0.000 1.032 338 K CA -0.406 55.848 56.287 -0.054 0.000 1.048 338 K CB 0.140 32.590 32.500 -0.084 0.000 0.842 338 K HN -0.028 nan 8.250 nan 0.000 0.526 339 R N -1.142 119.353 120.500 -0.009 0.000 3.297 339 R HA -0.225 4.132 4.340 0.028 0.000 0.236 339 R C 1.273 177.579 176.300 0.011 0.000 0.828 339 R CA 2.537 58.645 56.100 0.012 0.000 1.802 339 R CB -2.492 27.811 30.300 0.005 0.000 1.548 339 R HN 0.247 nan 8.270 nan 0.000 0.579 340 T N 0.919 115.472 114.554 -0.002 0.000 3.139 340 T HA 0.039 4.406 4.350 0.028 0.000 0.267 340 T C 1.520 176.221 174.700 0.001 0.000 1.164 340 T CA 1.204 63.305 62.100 0.002 0.000 1.075 340 T CB -0.126 68.742 68.868 0.000 0.000 0.904 340 T HN 0.431 nan 8.240 nan 0.000 0.540 341 I N 0.717 121.279 120.570 -0.013 0.000 3.941 341 I HA 0.194 4.381 4.170 0.028 0.000 0.335 341 I C 0.591 176.683 176.117 -0.041 0.000 1.402 341 I CA -0.396 60.876 61.300 -0.045 0.000 1.112 341 I CB -0.105 37.793 38.000 -0.170 0.000 1.043 341 I HN 0.114 nan 8.210 nan 0.000 0.395 342 Q N 1.846 121.658 119.800 0.019 0.000 3.744 342 Q HA -0.208 4.149 4.340 0.028 0.000 0.369 342 Q C -1.251 174.755 176.000 0.010 0.000 1.252 342 Q CA 0.798 56.628 55.803 0.046 0.000 1.059 342 Q CB 0.079 28.829 28.738 0.020 0.000 1.213 342 Q HN 0.386 nan 8.270 nan 0.000 0.540 343 F N 2.570 122.511 119.950 -0.014 0.000 2.380 343 F HA 0.324 4.868 4.527 0.029 0.000 0.321 343 F C 0.600 176.310 175.800 -0.150 0.000 1.103 343 F CA -0.712 57.261 58.000 -0.044 0.000 1.067 343 F CB 0.879 39.852 39.000 -0.045 0.000 1.265 343 F HN 0.268 nan 8.300 nan 0.000 0.517 344 V N 1.674 121.536 119.914 -0.087 0.000 3.367 344 V HA -0.145 3.992 4.120 0.028 0.000 0.304 344 V C 0.955 176.830 176.094 -0.365 0.000 1.131 344 V CA 0.160 62.218 62.300 -0.403 0.000 1.233 344 V CB 0.351 31.550 31.823 -1.040 0.000 1.021 344 V HN 0.766 nan 8.190 nan 0.000 0.497 345 D N 1.395 121.569 120.400 -0.376 0.000 2.087 345 D HA -0.103 4.554 4.640 0.028 0.000 0.201 345 D C 1.911 178.154 176.300 -0.094 0.000 0.980 345 D CA 1.534 55.446 54.000 -0.146 0.000 0.849 345 D CB -0.105 40.692 40.800 -0.004 0.000 1.001 345 D HN 0.876 nan 8.370 nan 0.000 0.452 346 W N 0.882 122.246 121.300 0.106 0.000 2.831 346 W HA 0.005 4.682 4.660 0.028 0.000 0.260 346 W C 0.072 176.647 176.519 0.094 0.000 1.261 346 W CA -0.441 56.965 57.345 0.100 0.000 1.291 346 W CB -1.295 28.240 29.460 0.125 0.000 1.137 346 W HN -0.053 nan 8.180 nan 0.000 0.661 347 C N 4.054 123.353 119.300 -0.001 0.000 2.356 347 C HA 0.308 4.785 4.460 0.028 0.000 0.324 347 C C -0.262 174.719 174.990 -0.015 0.000 1.167 347 C CA -1.980 57.060 59.018 0.035 0.000 1.420 347 C CB 0.546 28.166 27.740 -0.200 0.000 2.036 347 C HN -0.047 nan 8.230 nan 0.000 0.435 348 P HA 0.003 nan 4.420 nan 0.000 0.208 348 P C 0.351 177.604 177.300 -0.079 0.000 1.200 348 P CA 1.735 64.825 63.100 -0.016 0.000 0.924 348 P CB -0.127 31.580 31.700 0.012 0.000 0.774 349 T N -3.261 111.261 114.554 -0.053 0.000 2.809 349 T HA 0.695 5.062 4.350 0.028 0.000 0.284 349 T C 0.090 174.774 174.700 -0.026 0.000 0.992 349 T CA -0.655 61.400 62.100 -0.075 0.000 0.957 349 T CB 1.376 70.222 68.868 -0.038 0.000 0.942 349 T HN 0.183 nan 8.240 nan 0.000 0.439 350 G N 2.408 111.166 108.800 -0.070 0.000 4.713 350 G HA2 0.557 4.534 3.960 0.028 0.000 0.318 350 G HA3 0.557 4.534 3.960 0.028 0.000 0.318 350 G C -1.020 173.820 174.900 -0.100 0.000 1.435 350 G CA -0.571 44.517 45.100 -0.019 0.000 0.965 350 G HN 0.655 nan 8.290 nan 0.000 0.542 351 F N 1.350 121.281 119.950 -0.033 0.000 2.902 351 F HA 0.387 4.932 4.527 0.029 0.000 0.368 351 F C 0.122 175.924 175.800 0.003 0.000 1.202 351 F CA -0.992 57.014 58.000 0.009 0.000 1.109 351 F CB 2.180 41.153 39.000 -0.044 0.000 1.418 351 F HN -0.051 nan 8.300 nan 0.000 0.527 352 K N 3.918 124.388 120.400 0.117 0.000 2.250 352 K HA 0.342 4.679 4.320 0.028 0.000 0.285 352 K C -0.777 175.874 176.600 0.085 0.000 1.097 352 K CA -0.137 56.184 56.287 0.056 0.000 0.913 352 K CB 0.823 33.304 32.500 -0.031 0.000 1.179 352 K HN 0.337 nan 8.250 nan 0.000 0.462 353 V N 3.581 123.545 119.914 0.084 0.000 2.372 353 V HA 0.254 4.391 4.120 0.028 0.000 0.261 353 V C 0.850 176.960 176.094 0.027 0.000 1.055 353 V CA -0.622 61.719 62.300 0.070 0.000 0.930 353 V CB 0.987 32.803 31.823 -0.011 0.000 1.031 353 V HN 0.745 nan 8.190 nan 0.000 0.479 354 G N 5.922 114.765 108.800 0.072 0.000 2.384 354 G HA2 0.683 4.660 3.960 0.028 0.000 0.316 354 G HA3 0.683 4.660 3.960 0.028 0.000 0.316 354 G C -0.712 174.240 174.900 0.086 0.000 1.160 354 G CA -0.431 44.700 45.100 0.051 0.000 0.936 354 G HN 0.622 nan 8.290 nan 0.000 0.455 355 I N 2.872 123.457 120.570 0.025 0.000 2.378 355 I HA 0.305 4.492 4.170 0.028 0.000 0.291 355 I C -0.659 175.454 176.117 -0.006 0.000 0.992 355 I CA -0.949 60.356 61.300 0.007 0.000 1.154 355 I CB 1.813 39.781 38.000 -0.054 0.000 1.315 355 I HN 0.321 nan 8.210 nan 0.000 0.448 356 N N 3.880 122.569 118.700 -0.017 0.000 2.525 356 N HA 0.325 5.082 4.740 0.028 0.000 0.288 356 N C -0.038 175.417 175.510 -0.091 0.000 1.242 356 N CA -0.495 52.498 53.050 -0.095 0.000 0.905 356 N CB 1.770 40.185 38.487 -0.120 0.000 1.258 356 N HN 0.481 nan 8.380 nan 0.000 0.551 357 Y N 0.721 120.848 120.300 -0.287 0.000 2.296 357 Y HA 0.141 4.708 4.550 0.028 0.000 0.271 357 Y C 0.638 176.467 175.900 -0.119 0.000 1.102 357 Y CA 0.403 58.396 58.100 -0.178 0.000 1.147 357 Y CB -0.142 38.218 38.460 -0.167 0.000 1.070 357 Y HN 0.565 nan 8.280 nan 0.000 0.495 358 E N 3.418 123.724 120.200 0.176 0.000 2.820 358 E HA -0.058 4.309 4.350 0.028 0.000 0.251 358 E C -2.374 174.280 176.600 0.090 0.000 0.944 358 E CA -1.383 55.151 56.400 0.223 0.000 0.955 358 E CB 0.251 30.170 29.700 0.365 0.000 0.904 358 E HN 0.098 nan 8.360 nan 0.000 0.513 359 P HA 0.060 nan 4.420 nan 0.000 0.272 359 P C -2.495 174.856 177.300 0.084 0.000 1.254 359 P CA -1.035 62.092 63.100 0.046 0.000 0.795 359 P CB -0.354 31.368 31.700 0.037 0.000 1.022 360 P HA 0.103 nan 4.420 nan 0.000 0.274 360 P C -0.572 176.789 177.300 0.102 0.000 1.264 360 P CA 0.431 63.606 63.100 0.125 0.000 0.795 360 P CB 0.067 31.877 31.700 0.184 0.000 1.064 361 T N -0.610 113.997 114.554 0.088 0.000 3.187 361 T HA 0.287 4.654 4.350 0.028 0.000 0.328 361 T C -0.383 174.343 174.700 0.044 0.000 0.951 361 T CA -0.432 61.707 62.100 0.065 0.000 1.049 361 T CB 0.268 69.170 68.868 0.057 0.000 1.015 361 T HN 0.007 nan 8.240 nan 0.000 0.461 362 V N 3.152 123.094 119.914 0.045 0.000 2.732 362 V HA 0.246 4.383 4.120 0.028 0.000 0.297 362 V C 0.909 177.019 176.094 0.027 0.000 1.060 362 V CA -0.702 61.616 62.300 0.029 0.000 1.038 362 V CB 1.361 33.210 31.823 0.044 0.000 1.003 362 V HN 0.679 nan 8.190 nan 0.000 0.481 363 V N 6.943 126.865 119.914 0.013 0.000 2.720 363 V HA -0.013 4.125 4.120 0.028 0.000 0.307 363 V C -0.896 175.217 176.094 0.031 0.000 1.071 363 V CA -0.357 61.955 62.300 0.020 0.000 1.199 363 V CB 0.313 32.141 31.823 0.009 0.000 0.900 363 V HN 0.882 nan 8.190 nan 0.000 0.494 364 P HA -0.140 nan 4.420 nan 0.000 0.220 364 P C 0.837 178.159 177.300 0.037 0.000 1.155 364 P CA 1.884 65.006 63.100 0.038 0.000 0.880 364 P CB 0.171 31.893 31.700 0.038 0.000 0.790 365 G N -2.662 106.159 108.800 0.035 0.000 5.252 365 G HA2 0.394 4.371 3.960 0.028 0.000 0.214 365 G HA3 0.394 4.371 3.960 0.028 0.000 0.214 365 G C 0.675 175.593 174.900 0.030 0.000 0.817 365 G CA 0.216 45.337 45.100 0.035 0.000 0.715 365 G HN 0.354 nan 8.290 nan 0.000 0.480 366 G N 0.464 109.280 108.800 0.026 0.000 2.620 366 G HA2 0.302 4.279 3.960 0.028 0.000 0.200 366 G HA3 0.302 4.279 3.960 0.028 0.000 0.200 366 G C 0.462 175.374 174.900 0.020 0.000 1.710 366 G CA 0.986 46.097 45.100 0.019 0.000 0.919 366 G HN 0.182 nan 8.290 nan 0.000 0.455 367 D N -0.702 119.708 120.400 0.017 0.000 2.557 367 D HA 0.097 4.754 4.640 0.028 0.000 0.317 367 D C 0.023 176.334 176.300 0.019 0.000 1.403 367 D CA -0.105 53.904 54.000 0.016 0.000 0.886 367 D CB 0.478 41.282 40.800 0.007 0.000 1.363 367 D HN 0.184 nan 8.370 nan 0.000 0.458 368 L N 1.016 122.252 121.223 0.023 0.000 2.290 368 L HA 0.575 4.932 4.340 0.028 0.000 0.284 368 L C 1.881 178.795 176.870 0.074 0.000 1.078 368 L CA -0.648 54.209 54.840 0.029 0.000 0.815 368 L CB 1.074 43.133 42.059 0.001 0.000 1.162 368 L HN -0.196 nan 8.230 nan 0.000 0.435 369 A N 3.706 126.588 122.820 0.103 0.000 1.891 369 A HA -0.259 4.078 4.320 0.028 0.000 0.221 369 A C 1.179 178.870 177.584 0.179 0.000 1.394 369 A CA 2.329 54.481 52.037 0.191 0.000 0.730 369 A CB -0.400 18.724 19.000 0.205 0.000 0.845 369 A HN 0.934 nan 8.150 nan 0.000 0.471 370 K N -2.745 117.738 120.400 0.139 0.000 2.200 370 K HA -0.019 4.318 4.320 0.028 0.000 0.983 370 K C -0.867 175.786 176.600 0.089 0.000 0.818 370 K CA 0.755 57.103 56.287 0.102 0.000 1.005 370 K CB -2.039 30.507 32.500 0.077 0.000 3.207 370 K HN 0.587 nan 8.250 nan 0.000 0.189 371 V N 3.222 123.195 119.914 0.098 0.000 3.463 371 V HA 0.422 4.559 4.120 0.028 0.000 0.302 371 V C 1.107 177.234 176.094 0.054 0.000 1.097 371 V CA -0.422 61.924 62.300 0.076 0.000 1.003 371 V CB 1.631 33.506 31.823 0.085 0.000 1.229 371 V HN 0.540 nan 8.190 nan 0.000 0.444 372 Q N 1.596 121.417 119.800 0.034 0.000 2.211 372 Q HA 0.380 4.737 4.340 0.028 0.000 0.301 372 Q C -0.377 175.625 176.000 0.003 0.000 0.884 372 Q CA -0.126 55.687 55.803 0.017 0.000 1.115 372 Q CB 0.581 29.322 28.738 0.004 0.000 1.217 372 Q HN 0.744 nan 8.270 nan 0.000 0.451 373 R N -2.081 118.425 120.500 0.009 0.000 4.106 373 R HA 0.608 4.965 4.340 0.028 0.000 0.252 373 R C -2.234 174.037 176.300 -0.049 0.000 0.977 373 R CA -0.466 55.628 56.100 -0.010 0.000 1.118 373 R CB -0.102 30.199 30.300 0.002 0.000 1.237 373 R HN 0.042 nan 8.270 nan 0.000 0.587 374 A N 1.710 124.454 122.820 -0.126 0.000 2.609 374 A HA 0.765 5.102 4.320 0.028 0.000 0.291 374 A C -1.500 175.796 177.584 -0.479 0.000 1.096 374 A CA -0.707 51.128 52.037 -0.337 0.000 0.684 374 A CB 2.454 21.184 19.000 -0.449 0.000 1.282 374 A HN 0.497 nan 8.150 nan 0.000 0.412 375 V N 0.962 120.466 119.914 -0.684 0.000 2.398 375 V HA 0.274 4.412 4.120 0.028 0.000 0.282 375 V C -0.446 175.300 176.094 -0.580 0.000 1.014 375 V CA -0.586 61.277 62.300 -0.729 0.000 0.838 375 V CB 0.790 32.150 31.823 -0.772 0.000 1.018 375 V HN 1.150 nan 8.190 nan 0.000 0.432 376 C N 4.401 123.465 119.300 -0.393 0.000 2.116 376 C HA 0.748 5.225 4.460 0.028 0.000 0.367 376 C C 0.285 175.214 174.990 -0.102 0.000 1.039 376 C CA -1.077 57.853 59.018 -0.146 0.000 1.465 376 C CB -1.272 26.494 27.740 0.044 0.000 1.783 376 C HN 0.872 nan 8.230 nan 0.000 0.470 377 M N 4.090 123.604 119.600 -0.144 0.000 2.209 377 M HA 0.834 5.331 4.480 0.028 0.000 0.355 377 M C -0.776 175.491 176.300 -0.056 0.000 1.171 377 M CA -0.078 55.154 55.300 -0.114 0.000 1.069 377 M CB 0.624 33.094 32.600 -0.216 0.000 1.622 377 M HN 0.527 nan 8.290 nan 0.000 0.459 378 L N 2.430 123.662 121.223 0.015 0.000 2.323 378 L HA 1.071 5.429 4.340 0.028 0.000 0.265 378 L C -0.394 176.534 176.870 0.097 0.000 1.012 378 L CA -0.603 54.286 54.840 0.081 0.000 0.820 378 L CB 1.585 43.757 42.059 0.189 0.000 1.334 378 L HN 1.015 nan 8.230 nan 0.000 0.427 379 S N -0.640 115.124 115.700 0.107 0.000 2.595 379 S HA 0.439 4.926 4.470 0.028 0.000 0.270 379 S C -1.600 173.031 174.600 0.051 0.000 1.145 379 S CA -0.917 57.346 58.200 0.106 0.000 0.825 379 S CB 0.941 64.250 63.200 0.183 0.000 1.107 379 S HN 0.902 nan 8.310 nan 0.000 0.461 380 N N 0.704 119.438 118.700 0.057 0.000 2.425 380 N HA 0.589 5.346 4.740 0.028 0.000 0.268 380 N C -0.895 174.526 175.510 -0.149 0.000 0.991 380 N CA -0.239 52.810 53.050 -0.002 0.000 0.931 380 N CB 1.025 39.592 38.487 0.133 0.000 1.130 380 N HN 0.848 nan 8.380 nan 0.000 0.493 381 T N 0.105 114.457 114.554 -0.336 0.000 2.848 381 T HA 0.181 4.548 4.350 0.028 0.000 0.285 381 T C 0.831 175.212 174.700 -0.530 0.000 0.995 381 T CA -0.686 61.118 62.100 -0.494 0.000 0.970 381 T CB 1.515 69.972 68.868 -0.684 0.000 0.976 381 T HN 0.283 nan 8.240 nan 0.000 0.441 382 T N 2.334 116.617 114.554 -0.453 0.000 3.118 382 T HA 0.016 4.383 4.350 0.028 0.000 0.269 382 T C 2.085 176.488 174.700 -0.495 0.000 1.166 382 T CA 1.021 62.871 62.100 -0.416 0.000 1.073 382 T CB -0.563 68.161 68.868 -0.239 0.000 0.884 382 T HN 0.852 nan 8.240 nan 0.000 0.550 383 A N 1.901 124.386 122.820 -0.557 0.000 1.873 383 A HA -0.012 4.325 4.320 0.028 0.000 0.215 383 A C 2.053 179.438 177.584 -0.331 0.000 1.186 383 A CA 0.834 52.561 52.037 -0.517 0.000 0.616 383 A CB -0.432 18.285 19.000 -0.471 0.000 0.823 383 A HN 0.464 nan 8.150 nan 0.000 0.442 384 I N 0.570 120.914 120.570 -0.377 0.000 2.761 384 I HA -0.276 3.911 4.170 0.028 0.000 0.266 384 I C 2.700 178.776 176.117 -0.069 0.000 1.239 384 I CA 1.120 62.222 61.300 -0.330 0.000 1.451 384 I CB -1.744 35.998 38.000 -0.429 0.000 1.096 384 I HN 0.384 nan 8.210 nan 0.000 0.465 385 A N 0.582 123.419 122.820 0.027 0.000 1.958 385 A HA -0.221 4.116 4.320 0.028 0.000 0.221 385 A C 2.193 179.901 177.584 0.206 0.000 1.178 385 A CA 1.541 53.719 52.037 0.236 0.000 0.642 385 A CB -0.254 18.896 19.000 0.250 0.000 0.816 385 A HN 0.380 nan 8.150 nan 0.000 0.453 386 E N -0.512 119.766 120.200 0.131 0.000 1.987 386 E HA -0.017 4.350 4.350 0.028 0.000 0.198 386 E C 2.444 179.090 176.600 0.076 0.000 0.968 386 E CA 0.961 57.422 56.400 0.102 0.000 0.867 386 E CB -1.191 28.549 29.700 0.066 0.000 0.819 386 E HN 0.450 nan 8.360 nan 0.000 0.516 387 A N 1.086 123.892 122.820 -0.024 0.000 1.997 387 A HA -0.266 4.072 4.320 0.028 0.000 0.226 387 A C 2.225 179.898 177.584 0.148 0.000 1.327 387 A CA 2.553 54.587 52.037 -0.005 0.000 0.693 387 A CB -1.627 17.208 19.000 -0.274 0.000 0.832 387 A HN 0.515 nan 8.150 nan 0.000 0.497 388 W N -1.118 120.268 121.300 0.144 0.000 2.407 388 W HA 0.070 4.747 4.660 0.027 0.000 0.305 388 W C 2.865 179.408 176.519 0.040 0.000 1.196 388 W CA 0.610 57.981 57.345 0.042 0.000 1.311 388 W CB -0.296 29.167 29.460 0.006 0.000 1.135 388 W HN 0.485 nan 8.180 nan 0.000 0.514 389 A N 1.113 124.123 122.820 0.317 0.000 1.848 389 A HA -0.278 4.059 4.320 0.028 0.000 0.217 389 A C 1.956 179.658 177.584 0.197 0.000 1.220 389 A CA 2.033 54.197 52.037 0.212 0.000 0.645 389 A CB -1.085 18.012 19.000 0.162 0.000 0.842 389 A HN 0.148 nan 8.150 nan 0.000 0.451 390 R N -0.981 119.613 120.500 0.157 0.000 2.226 390 R HA -0.146 4.211 4.340 0.028 0.000 0.246 390 R C 1.824 178.228 176.300 0.173 0.000 1.161 390 R CA 1.447 57.623 56.100 0.127 0.000 0.997 390 R CB -1.075 29.278 30.300 0.089 0.000 0.870 390 R HN 0.590 nan 8.270 nan 0.000 0.465 391 L N 0.297 121.640 121.223 0.201 0.000 2.463 391 L HA 0.015 4.372 4.340 0.028 0.000 0.219 391 L C 1.817 178.802 176.870 0.191 0.000 1.088 391 L CA 0.927 55.876 54.840 0.181 0.000 0.849 391 L CB -0.039 42.096 42.059 0.127 0.000 1.012 391 L HN -0.078 nan 8.230 nan 0.000 0.468 392 D N -1.161 119.350 120.400 0.185 0.000 2.110 392 D HA -0.263 4.395 4.640 0.028 0.000 0.202 392 D C 2.061 178.490 176.300 0.215 0.000 0.975 392 D CA 1.342 55.415 54.000 0.123 0.000 0.839 392 D CB -0.193 40.647 40.800 0.067 0.000 0.996 392 D HN 0.414 nan 8.370 nan 0.000 0.464 393 H N 1.179 120.326 119.070 0.129 0.000 2.289 393 H HA -0.154 4.418 4.556 0.028 0.000 0.294 393 H C 2.047 177.470 175.328 0.158 0.000 1.095 393 H CA 2.082 58.209 56.048 0.131 0.000 1.256 393 H CB -0.028 29.795 29.762 0.102 0.000 1.359 393 H HN 0.104 nan 8.280 nan 0.000 0.487 394 K N -0.501 120.111 120.400 0.353 0.000 2.013 394 K HA -0.272 4.066 4.320 0.028 0.000 0.225 394 K C 2.278 178.993 176.600 0.190 0.000 1.056 394 K CA 2.285 58.721 56.287 0.250 0.000 0.971 394 K CB -0.645 31.973 32.500 0.196 0.000 0.731 394 K HN 0.179 nan 8.250 nan 0.000 0.450 395 F N 2.316 122.300 119.950 0.056 0.000 2.039 395 F HA -0.422 4.124 4.527 0.031 0.000 0.296 395 F C 2.033 177.904 175.800 0.118 0.000 1.119 395 F CA 2.207 60.242 58.000 0.060 0.000 1.211 395 F CB -0.386 38.666 39.000 0.086 0.000 0.956 395 F HN 0.224 nan 8.300 nan 0.000 0.496 396 D N 0.698 121.356 120.400 0.430 0.000 2.127 396 D HA -0.265 4.392 4.640 0.028 0.000 0.190 396 D C 2.492 178.861 176.300 0.116 0.000 1.000 396 D CA 2.094 56.264 54.000 0.284 0.000 0.839 396 D CB -0.899 39.966 40.800 0.109 0.000 0.955 396 D HN 0.362 nan 8.370 nan 0.000 0.446 397 L N 0.014 121.247 121.223 0.017 0.000 2.030 397 L HA -0.288 4.069 4.340 0.028 0.000 0.222 397 L C 2.742 179.617 176.870 0.009 0.000 1.082 397 L CA 1.519 56.361 54.840 0.004 0.000 0.785 397 L CB -0.440 41.641 42.059 0.037 0.000 0.895 397 L HN 0.131 nan 8.230 nan 0.000 0.439 398 M N -2.394 117.194 119.600 -0.020 0.000 2.123 398 M HA -0.206 4.291 4.480 0.028 0.000 0.263 398 M C 2.366 178.697 176.300 0.053 0.000 1.069 398 M CA 1.538 56.813 55.300 -0.041 0.000 1.133 398 M CB -0.553 31.916 32.600 -0.219 0.000 1.356 398 M HN 0.107 nan 8.290 nan 0.000 0.415 399 Y N 1.459 121.739 120.300 -0.033 0.000 2.207 399 Y HA -0.224 4.343 4.550 0.028 0.000 0.287 399 Y C 2.387 178.288 175.900 0.001 0.000 1.156 399 Y CA 1.415 59.533 58.100 0.030 0.000 1.182 399 Y CB -0.583 37.871 38.460 -0.009 0.000 0.979 399 Y HN 0.213 nan 8.280 nan 0.000 0.521 400 A N -0.320 122.508 122.820 0.012 0.000 2.148 400 A HA -0.216 4.121 4.320 0.028 0.000 0.222 400 A C 1.950 179.450 177.584 -0.140 0.000 1.161 400 A CA 2.085 54.084 52.037 -0.063 0.000 0.662 400 A CB -0.455 18.543 19.000 -0.004 0.000 0.799 400 A HN 0.561 nan 8.150 nan 0.000 0.466 401 K N -2.629 117.686 120.400 -0.142 0.000 2.483 401 K HA 0.163 4.500 4.320 0.028 0.000 0.206 401 K C 0.181 176.671 176.600 -0.183 0.000 1.086 401 K CA -0.305 55.893 56.287 -0.148 0.000 1.052 401 K CB 0.756 33.194 32.500 -0.104 0.000 0.904 401 K HN 0.224 nan 8.250 nan 0.000 0.557 402 R N -1.379 118.981 120.500 -0.233 0.000 3.943 402 R HA -0.284 4.073 4.340 0.028 0.000 0.459 402 R C 1.055 177.325 176.300 -0.050 0.000 0.939 402 R CA 1.177 57.143 56.100 -0.224 0.000 1.515 402 R CB -2.521 27.626 30.300 -0.256 0.000 2.164 402 R HN 0.393 nan 8.270 nan 0.000 0.516 403 A N 0.897 123.664 122.820 -0.088 0.000 4.689 403 A HA -0.296 4.041 4.320 0.028 0.000 0.656 403 A C 0.935 178.401 177.584 -0.196 0.000 1.423 403 A CA 2.290 54.178 52.037 -0.250 0.000 2.108 403 A CB -1.659 17.239 19.000 -0.171 0.000 1.483 403 A HN 0.315 nan 8.150 nan 0.000 0.733 404 F N -0.083 120.112 119.950 0.409 0.000 2.818 404 F HA 0.303 4.843 4.527 0.021 0.000 0.303 404 F C 1.536 177.584 175.800 0.412 0.000 1.250 404 F CA 0.290 58.581 58.000 0.484 0.000 1.409 404 F CB -0.946 38.379 39.000 0.542 0.000 1.183 404 F HN 0.136 nan 8.300 nan 0.000 0.534 405 V N 0.883 120.965 119.914 0.281 0.000 2.379 405 V HA -0.263 3.874 4.120 0.028 0.000 0.245 405 V C 2.865 179.008 176.094 0.081 0.000 1.044 405 V CA 1.967 64.301 62.300 0.057 0.000 1.036 405 V CB -0.689 30.991 31.823 -0.238 0.000 0.664 405 V HN 0.643 nan 8.190 nan 0.000 0.453 406 H N -2.243 116.761 119.070 -0.109 0.000 2.539 406 H HA -0.251 4.319 4.556 0.024 0.000 0.292 406 H C 1.916 177.135 175.328 -0.182 0.000 1.069 406 H CA 1.589 57.517 56.048 -0.201 0.000 1.244 406 H CB -0.674 28.878 29.762 -0.349 0.000 1.365 406 H HN 0.618 nan 8.280 nan 0.000 0.575 407 W N 0.129 121.142 121.300 -0.479 0.000 2.658 407 W HA 0.028 4.695 4.660 0.012 0.000 0.263 407 W C 1.393 177.720 176.519 -0.320 0.000 1.274 407 W CA 0.155 57.191 57.345 -0.516 0.000 1.343 407 W CB 0.092 29.229 29.460 -0.539 0.000 1.106 407 W HN 0.123 nan 8.180 nan 0.000 0.615 408 Y N -1.524 118.918 120.300 0.238 0.000 2.353 408 Y HA -0.101 4.469 4.550 0.033 0.000 0.294 408 Y C 2.271 178.252 175.900 0.134 0.000 1.135 408 Y CA 0.527 58.773 58.100 0.243 0.000 1.176 408 Y CB -1.061 37.669 38.460 0.450 0.000 1.124 408 Y HN -0.364 nan 8.280 nan 0.000 0.537 409 V N 0.236 120.299 119.914 0.249 0.000 2.250 409 V HA -0.335 3.802 4.120 0.028 0.000 0.250 409 V C 2.362 178.503 176.094 0.079 0.000 1.060 409 V CA 2.117 64.486 62.300 0.115 0.000 1.030 409 V CB -1.580 30.268 31.823 0.042 0.000 0.643 409 V HN 0.594 nan 8.190 nan 0.000 0.445 410 G N -0.192 108.646 108.800 0.063 0.000 2.843 410 G HA2 -0.084 3.893 3.960 0.028 0.000 0.205 410 G HA3 -0.084 3.893 3.960 0.028 0.000 0.205 410 G C 0.766 175.718 174.900 0.088 0.000 1.160 410 G CA 0.332 45.464 45.100 0.053 0.000 0.819 410 G HN 0.577 nan 8.290 nan 0.000 0.516 411 E N -0.104 120.161 120.200 0.108 0.000 3.105 411 E HA 0.242 4.609 4.350 0.028 0.000 0.198 411 E C 0.925 177.574 176.600 0.082 0.000 0.976 411 E CA -0.099 56.372 56.400 0.118 0.000 1.219 411 E CB 0.288 30.084 29.700 0.159 0.000 1.081 411 E HN 0.301 nan 8.360 nan 0.000 0.464 412 G N 1.970 110.792 108.800 0.037 0.000 2.353 412 G HA2 -0.246 3.732 3.960 0.028 0.000 0.294 412 G HA3 -0.246 3.732 3.960 0.028 0.000 0.294 412 G C 0.136 174.846 174.900 -0.317 0.000 1.077 412 G CA 0.557 45.639 45.100 -0.030 0.000 1.098 412 G HN 0.092 nan 8.290 nan 0.000 0.511 413 M N -1.327 118.147 119.600 -0.210 0.000 3.079 413 M HA 0.692 5.190 4.480 0.028 0.000 0.277 413 M C -0.312 175.964 176.300 -0.040 0.000 1.317 413 M CA -0.494 54.645 55.300 -0.269 0.000 0.793 413 M CB 2.070 34.623 32.600 -0.079 0.000 1.690 413 M HN 0.295 nan 8.290 nan 0.000 0.451 414 E N -0.711 119.517 120.200 0.047 0.000 2.447 414 E HA 0.209 4.576 4.350 0.028 0.000 0.279 414 E C -0.198 176.491 176.600 0.147 0.000 1.053 414 E CA -0.699 55.744 56.400 0.071 0.000 0.840 414 E CB 0.955 30.674 29.700 0.030 0.000 1.409 414 E HN 0.602 nan 8.360 nan 0.000 0.461 415 E N 0.751 121.004 120.200 0.089 0.000 2.333 415 E HA -0.141 4.226 4.350 0.028 0.000 0.198 415 E C 1.306 177.992 176.600 0.143 0.000 1.007 415 E CA 1.514 57.989 56.400 0.123 0.000 0.845 415 E CB -0.184 29.564 29.700 0.081 0.000 0.766 415 E HN 0.669 nan 8.360 nan 0.000 0.507 416 G N 1.448 110.302 108.800 0.090 0.000 2.637 416 G HA2 -0.260 3.717 3.960 0.028 0.000 0.215 416 G HA3 -0.260 3.717 3.960 0.028 0.000 0.215 416 G C 1.404 176.309 174.900 0.008 0.000 1.289 416 G CA 0.553 45.681 45.100 0.045 0.000 0.816 416 G HN 0.220 nan 8.290 nan 0.000 0.580 417 E N 0.267 120.455 120.200 -0.020 0.000 2.197 417 E HA -0.172 4.195 4.350 0.028 0.000 0.205 417 E C 2.184 178.584 176.600 -0.332 0.000 1.029 417 E CA 1.020 57.313 56.400 -0.177 0.000 0.828 417 E CB -0.326 29.248 29.700 -0.211 0.000 0.737 417 E HN 0.465 nan 8.360 nan 0.000 0.464 418 F N 0.481 120.264 119.950 -0.278 0.000 2.025 418 F HA -0.080 4.463 4.527 0.028 0.000 0.291 418 F C 2.867 178.428 175.800 -0.399 0.000 1.150 418 F CA 1.114 58.906 58.000 -0.348 0.000 1.166 418 F CB -1.038 37.727 39.000 -0.393 0.000 0.995 418 F HN -0.140 nan 8.300 nan 0.000 0.474 419 S N -0.280 115.342 115.700 -0.131 0.000 2.392 419 S HA -0.200 4.287 4.470 0.028 0.000 0.232 419 S C 1.660 176.176 174.600 -0.140 0.000 1.041 419 S CA 1.583 59.702 58.200 -0.134 0.000 1.026 419 S CB -0.427 62.797 63.200 0.040 0.000 0.845 419 S HN 0.374 nan 8.310 nan 0.000 0.465 420 E N 0.301 120.415 120.200 -0.143 0.000 2.502 420 E HA 0.175 4.542 4.350 0.028 0.000 0.194 420 E C 1.496 177.948 176.600 -0.247 0.000 1.062 420 E CA 0.475 56.791 56.400 -0.140 0.000 0.867 420 E CB 0.035 29.690 29.700 -0.074 0.000 0.888 420 E HN 0.518 nan 8.360 nan 0.000 0.510 421 A N 0.942 123.490 122.820 -0.453 0.000 2.288 421 A HA 0.103 4.440 4.320 0.028 0.000 0.216 421 A C 2.021 179.284 177.584 -0.535 0.000 1.199 421 A CA 0.063 51.679 52.037 -0.701 0.000 0.891 421 A CB 0.162 18.465 19.000 -1.162 0.000 0.923 421 A HN -0.032 nan 8.150 nan 0.000 0.500 422 R N 0.940 121.151 120.500 -0.483 0.000 2.057 422 R HA 0.041 4.398 4.340 0.028 0.000 0.224 422 R C 1.608 177.737 176.300 -0.286 0.000 1.136 422 R CA 1.972 57.778 56.100 -0.491 0.000 0.968 422 R CB -0.653 29.412 30.300 -0.392 0.000 0.863 422 R HN 0.538 nan 8.270 nan 0.000 0.433 423 E N 0.637 120.721 120.200 -0.193 0.000 2.130 423 E HA -0.243 4.125 4.350 0.028 0.000 0.196 423 E C 1.383 177.911 176.600 -0.121 0.000 0.998 423 E CA 1.425 57.754 56.400 -0.119 0.000 0.806 423 E CB -0.233 29.420 29.700 -0.078 0.000 0.738 423 E HN 0.428 nan 8.360 nan 0.000 0.459 424 D N 0.847 121.165 120.400 -0.136 0.000 2.137 424 D HA -0.201 4.456 4.640 0.028 0.000 0.193 424 D C 1.968 178.176 176.300 -0.153 0.000 0.993 424 D CA 1.356 55.298 54.000 -0.097 0.000 0.846 424 D CB -0.136 40.658 40.800 -0.009 0.000 0.990 424 D HN 0.100 nan 8.370 nan 0.000 0.448 425 M N 0.280 119.741 119.600 -0.232 0.000 2.202 425 M HA -0.193 4.304 4.480 0.028 0.000 0.262 425 M C 2.342 178.522 176.300 -0.201 0.000 1.063 425 M CA 1.259 56.388 55.300 -0.285 0.000 1.097 425 M CB -0.336 32.039 32.600 -0.374 0.000 1.382 425 M HN 0.108 nan 8.290 nan 0.000 0.413 426 A N 0.662 123.389 122.820 -0.155 0.000 1.896 426 A HA -0.194 4.143 4.320 0.028 0.000 0.220 426 A C 2.092 179.636 177.584 -0.067 0.000 1.206 426 A CA 2.227 54.210 52.037 -0.089 0.000 0.647 426 A CB -0.973 17.984 19.000 -0.071 0.000 0.828 426 A HN 0.563 nan 8.150 nan 0.000 0.455 427 A N -1.957 120.817 122.820 -0.077 0.000 2.265 427 A HA 0.381 4.718 4.320 0.028 0.000 0.213 427 A C 1.516 179.054 177.584 -0.077 0.000 1.255 427 A CA 0.970 52.972 52.037 -0.058 0.000 0.862 427 A CB -0.342 18.626 19.000 -0.054 0.000 0.852 427 A HN 0.576 nan 8.150 nan 0.000 0.484 428 L N -1.520 119.632 121.223 -0.119 0.000 2.672 428 L HA 0.264 4.621 4.340 0.028 0.000 0.236 428 L C 1.747 178.565 176.870 -0.087 0.000 1.092 428 L CA 1.299 56.023 54.840 -0.193 0.000 0.887 428 L CB 0.052 41.889 42.059 -0.370 0.000 1.168 428 L HN 0.528 nan 8.230 nan 0.000 0.502 429 E N -0.540 119.653 120.200 -0.011 0.000 2.250 429 E HA -0.106 4.261 4.350 0.028 0.000 0.192 429 E C 1.441 178.105 176.600 0.107 0.000 0.986 429 E CA 0.457 56.913 56.400 0.093 0.000 0.849 429 E CB 0.283 30.025 29.700 0.070 0.000 0.797 429 E HN 0.458 nan 8.360 nan 0.000 0.482 430 K N 0.792 121.227 120.400 0.059 0.000 2.166 430 K HA -0.061 4.277 4.320 0.028 0.000 0.201 430 K C 1.996 178.646 176.600 0.084 0.000 1.052 430 K CA 0.937 57.262 56.287 0.063 0.000 0.969 430 K CB -0.055 32.462 32.500 0.027 0.000 0.761 430 K HN 0.121 nan 8.250 nan 0.000 0.459 431 D N 1.200 121.640 120.400 0.066 0.000 2.077 431 D HA -0.217 4.441 4.640 0.028 0.000 0.193 431 D C 1.485 177.932 176.300 0.245 0.000 0.989 431 D CA 1.386 55.441 54.000 0.091 0.000 0.831 431 D CB -0.282 40.536 40.800 0.030 0.000 0.979 431 D HN 0.312 nan 8.370 nan 0.000 0.449 432 Y N 0.129 120.504 120.300 0.125 0.000 2.651 432 Y HA -0.136 4.431 4.550 0.028 0.000 0.296 432 Y C 2.297 178.276 175.900 0.131 0.000 1.150 432 Y CA 0.464 58.641 58.100 0.130 0.000 1.348 432 Y CB 0.334 38.878 38.460 0.140 0.000 0.983 432 Y HN 0.181 nan 8.280 nan 0.000 0.555 433 E N 0.381 120.744 120.200 0.272 0.000 2.132 433 E HA -0.093 4.274 4.350 0.028 0.000 0.193 433 E C 1.686 178.389 176.600 0.172 0.000 0.951 433 E CA 0.565 57.082 56.400 0.195 0.000 0.843 433 E CB 0.119 29.908 29.700 0.149 0.000 0.807 433 E HN 0.365 nan 8.360 nan 0.000 0.467 434 E N -0.027 120.262 120.200 0.148 0.000 2.047 434 E HA -0.115 4.252 4.350 0.028 0.000 0.191 434 E C 1.852 178.554 176.600 0.169 0.000 0.987 434 E CA 1.307 57.778 56.400 0.118 0.000 0.799 434 E CB 0.106 29.839 29.700 0.053 0.000 0.752 434 E HN 0.111 nan 8.360 nan 0.000 0.449 435 V N 0.568 120.607 119.914 0.209 0.000 3.330 435 V HA -0.064 4.073 4.120 0.028 0.000 0.273 435 V C 0.856 177.295 176.094 0.574 0.000 1.179 435 V CA 1.185 63.696 62.300 0.350 0.000 1.174 435 V CB -0.749 31.333 31.823 0.432 0.000 0.794 435 V HN 0.299 nan 8.190 nan 0.000 0.527 436 G N -2.448 106.563 108.800 0.350 0.000 2.782 436 G HA2 0.440 4.417 3.960 0.028 0.000 0.304 436 G HA3 0.440 4.417 3.960 0.028 0.000 0.304 436 G C 0.131 175.138 174.900 0.178 0.000 1.315 436 G CA 0.202 45.454 45.100 0.254 0.000 0.791 436 G HN 0.121 nan 8.290 nan 0.000 0.519 437 V N -1.288 118.701 119.914 0.125 0.000 1.645 437 V HA -0.235 3.903 4.120 0.028 0.000 0.045 437 V C 0.382 176.537 176.094 0.102 0.000 0.716 437 V CA 2.463 64.830 62.300 0.112 0.000 1.625 437 V CB -1.710 30.187 31.823 0.123 0.000 1.729 437 V HN 0.991 nan 8.190 nan 0.000 0.794 438 D N -1.119 119.358 120.400 0.127 0.000 2.527 438 D HA 0.709 5.366 4.640 0.028 0.000 0.233 438 D C -0.100 176.288 176.300 0.146 0.000 1.063 438 D CA 0.496 54.569 54.000 0.122 0.000 0.880 438 D CB 2.174 43.046 40.800 0.121 0.000 1.457 438 D HN 0.475 nan 8.370 nan 0.000 0.475 439 S N 0.000 115.772 115.700 0.120 0.000 2.498 439 S HA 0.000 4.487 4.470 0.028 0.000 0.327 439 S CA 0.000 58.278 58.200 0.130 0.000 1.107 439 S CB 0.000 63.254 63.200 0.090 0.000 0.593 439 S HN 0.000 nan 8.310 nan 0.000 0.517