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 3e65_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ N 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.176 176.000 0.294 0.000 1.003 77 Q CA 0.000 55.842 55.803 0.065 0.000 1.022 77 Q CB 0.000 28.761 28.738 0.039 0.000 1.108 78 Y N -3.037 117.355 120.300 0.154 0.000 2.638 78 Y HA 0.883 5.433 4.550 0.000 0.000 0.335 78 Y C -0.812 175.111 175.900 0.038 0.000 1.155 78 Y CA -2.196 55.994 58.100 0.149 0.000 1.046 78 Y CB 1.039 39.545 38.460 0.077 0.000 1.303 78 Y HN 0.098 nan 8.280 nan 0.000 0.460 79 V N 2.790 122.851 119.914 0.245 0.000 2.435 79 V HA 0.493 4.613 4.120 0.000 0.000 0.290 79 V C -0.071 176.173 176.094 0.250 0.000 1.030 79 V CA -0.868 61.476 62.300 0.073 0.000 0.881 79 V CB 1.369 33.066 31.823 -0.210 0.000 0.983 79 V HN 0.799 nan 8.190 nan 0.000 0.445 80 R N 4.458 125.093 120.500 0.226 0.000 2.347 80 R HA 0.425 4.765 4.340 0.000 0.000 0.304 80 R C -0.994 175.375 176.300 0.115 0.000 1.072 80 R CA -0.246 56.000 56.100 0.245 0.000 0.980 80 R CB 0.381 30.805 30.300 0.207 0.000 0.986 80 R HN 0.505 nan 8.270 nan 0.000 0.448 81 I N 4.163 124.773 120.570 0.066 0.000 2.465 81 I HA 0.327 4.497 4.170 0.000 0.000 0.291 81 I C -0.358 175.695 176.117 -0.106 0.000 1.014 81 I CA -0.583 60.709 61.300 -0.014 0.000 1.093 81 I CB 1.731 39.702 38.000 -0.047 0.000 1.267 81 I HN 0.628 nan 8.210 nan 0.000 0.431 82 K N 4.732 125.057 120.400 -0.124 0.000 2.316 82 K HA 0.392 4.712 4.320 0.000 0.000 0.251 82 K C -0.704 175.747 176.600 -0.247 0.000 0.934 82 K CA -0.600 55.514 56.287 -0.290 0.000 0.802 82 K CB 1.720 33.883 32.500 -0.561 0.000 1.171 82 K HN 0.486 nan 8.250 nan 0.000 0.426 83 N N 4.150 122.706 118.700 -0.240 0.000 2.546 83 N HA 0.115 4.855 4.740 0.000 0.000 0.238 83 N C -0.346 175.115 175.510 -0.080 0.000 0.984 83 N CA -0.461 52.559 53.050 -0.050 0.000 0.935 83 N CB 0.324 38.795 38.487 -0.026 0.000 1.122 83 N HN 0.662 nan 8.380 nan 0.000 0.510 84 W N 2.146 123.515 121.300 0.115 0.000 2.721 84 W HA 0.149 4.809 4.660 0.000 0.000 0.245 84 W C 2.018 178.581 176.519 0.074 0.000 1.276 84 W CA 0.251 57.661 57.345 0.108 0.000 1.342 84 W CB 0.145 29.700 29.460 0.157 0.000 1.135 84 W HN 0.644 nan 8.180 nan 0.000 0.654 85 G N -0.701 108.235 108.800 0.227 0.000 2.494 85 G HA2 -0.112 3.848 3.960 0.000 0.000 0.216 85 G HA3 -0.112 3.848 3.960 0.000 0.000 0.216 85 G C 1.300 176.220 174.900 0.033 0.000 1.140 85 G CA 1.136 46.276 45.100 0.068 0.000 0.801 85 G HN 0.264 nan 8.290 nan 0.000 0.536 86 S N -2.081 113.632 115.700 0.021 0.000 2.787 86 S HA 0.404 4.875 4.470 0.000 0.000 0.255 86 S C 1.671 176.240 174.600 -0.052 0.000 1.051 86 S CA 0.945 59.136 58.200 -0.015 0.000 1.124 86 S CB 0.447 63.635 63.200 -0.021 0.000 1.104 86 S HN 1.396 nan 8.310 nan 0.000 0.623 87 G N 1.523 110.271 108.800 -0.085 0.000 2.196 87 G HA2 -0.369 3.591 3.960 0.000 0.000 0.268 87 G HA3 -0.369 3.591 3.960 0.000 0.000 0.268 87 G C -0.041 174.747 174.900 -0.187 0.000 0.975 87 G CA 0.657 45.657 45.100 -0.166 0.000 0.648 87 G HN 0.794 nan 8.290 nan 0.000 0.538 88 E N 0.766 120.876 120.200 -0.151 0.000 2.465 88 E HA 0.335 4.685 4.350 0.000 0.000 0.260 88 E C 0.679 177.152 176.600 -0.212 0.000 0.980 88 E CA -0.054 56.250 56.400 -0.161 0.000 0.927 88 E CB 0.152 29.772 29.700 -0.132 0.000 0.934 88 E HN 0.221 nan 8.360 nan 0.000 0.459 89 I N 5.720 126.154 120.570 -0.226 0.000 2.460 89 I HA 0.358 4.529 4.170 0.000 0.000 0.298 89 I C -0.123 175.775 176.117 -0.365 0.000 0.989 89 I CA -0.655 60.491 61.300 -0.256 0.000 1.173 89 I CB 0.857 38.738 38.000 -0.198 0.000 1.338 89 I HN 0.588 nan 8.210 nan 0.000 0.456 90 L N 5.123 126.125 121.223 -0.368 0.000 2.388 90 L HA 0.460 4.800 4.340 0.000 0.000 0.264 90 L C -0.940 175.784 176.870 -0.243 0.000 0.998 90 L CA -0.829 53.734 54.840 -0.462 0.000 0.817 90 L CB 2.362 44.014 42.059 -0.678 0.000 1.338 90 L HN 0.450 nan 8.230 nan 0.000 0.414 91 H N 1.230 120.231 119.070 -0.114 0.000 2.551 91 H HA 0.272 4.828 4.556 0.000 0.000 0.321 91 H C -1.086 174.359 175.328 0.195 0.000 1.028 91 H CA -0.771 55.218 56.048 -0.097 0.000 1.215 91 H CB 1.677 31.109 29.762 -0.550 0.000 1.414 91 H HN 0.419 nan 8.280 nan 0.000 0.480 92 D N 2.156 122.811 120.400 0.424 0.000 2.274 92 D HA 0.087 4.727 4.640 0.000 0.000 0.239 92 D C 0.724 177.230 176.300 0.343 0.000 1.104 92 D CA -0.158 54.080 54.000 0.396 0.000 0.840 92 D CB 1.354 42.372 40.800 0.363 0.000 1.100 92 D HN 0.653 nan 8.370 nan 0.000 0.477 93 T N 1.042 115.733 114.554 0.227 0.000 2.964 93 T HA -0.043 4.308 4.350 0.000 0.000 0.249 93 T C 1.911 176.594 174.700 -0.028 0.000 1.000 93 T CA -0.227 61.980 62.100 0.178 0.000 0.992 93 T CB -0.031 68.941 68.868 0.174 0.000 1.087 93 T HN 0.244 nan 8.240 nan 0.000 0.489 94 L N 3.244 124.441 121.223 -0.044 0.000 2.187 94 L HA -0.130 4.210 4.340 0.000 0.000 0.213 94 L C 2.559 179.224 176.870 -0.343 0.000 1.100 94 L CA 1.873 56.647 54.840 -0.111 0.000 0.765 94 L CB -0.886 41.153 42.059 -0.033 0.000 0.904 94 L HN 0.595 nan 8.230 nan 0.000 0.437 95 H N -2.640 115.997 119.070 -0.721 0.000 2.518 95 H HA -0.187 4.369 4.556 0.000 0.000 0.289 95 H C 1.719 176.663 175.328 -0.640 0.000 1.051 95 H CA 1.869 57.167 56.048 -1.250 0.000 1.280 95 H CB -0.914 28.165 29.762 -1.139 0.000 1.380 95 H HN 0.567 nan 8.280 nan 0.000 0.566 96 H N 1.055 119.613 119.070 -0.852 0.000 2.423 96 H HA 0.026 4.582 4.556 0.000 0.000 0.297 96 H C 1.681 176.838 175.328 -0.286 0.000 1.075 96 H CA 0.947 56.667 56.048 -0.546 0.000 1.342 96 H CB 0.402 29.898 29.762 -0.444 0.000 1.395 96 H HN 0.181 nan 8.280 nan 0.000 0.530 97 K N 0.755 121.078 120.400 -0.127 0.000 2.525 97 K HA 0.137 4.457 4.320 0.000 0.000 0.192 97 K C 0.755 177.327 176.600 -0.046 0.000 1.029 97 K CA 0.314 56.567 56.287 -0.057 0.000 1.029 97 K CB 0.295 32.777 32.500 -0.030 0.000 0.814 97 K HN 0.170 nan 8.250 nan 0.000 0.503 98 A N 2.447 125.208 122.820 -0.099 0.000 3.029 98 A HA 0.034 4.354 4.320 0.000 0.000 0.251 98 A C 1.666 179.232 177.584 -0.030 0.000 1.749 98 A CA 0.173 52.178 52.037 -0.053 0.000 1.386 98 A CB -0.986 17.961 19.000 -0.089 0.000 1.043 98 A HN 0.382 nan 8.150 nan 0.000 0.638 99 T N -0.933 113.617 114.554 -0.007 0.000 2.751 99 T HA -0.201 4.149 4.350 0.000 0.000 0.268 99 T C 1.371 176.088 174.700 0.027 0.000 1.045 99 T CA 1.509 63.621 62.100 0.020 0.000 1.142 99 T CB -1.068 67.832 68.868 0.053 0.000 0.851 99 T HN 0.923 nan 8.240 nan 0.000 0.474 100 S N 1.148 116.854 115.700 0.009 0.000 2.606 100 S HA 0.319 4.790 4.470 0.000 0.000 0.257 100 S C 0.084 174.712 174.600 0.046 0.000 1.327 100 S CA -0.678 57.534 58.200 0.020 0.000 0.984 100 S CB 0.544 63.739 63.200 -0.008 0.000 0.941 100 S HN 0.498 nan 8.310 nan 0.000 0.576 101 D N -1.307 119.141 120.400 0.079 0.000 2.530 101 D HA 0.670 5.311 4.640 0.000 0.000 0.282 101 D C -0.776 175.676 176.300 0.254 0.000 1.204 101 D CA -0.540 53.535 54.000 0.124 0.000 1.093 101 D CB 0.620 41.476 40.800 0.094 0.000 1.154 101 D HN 0.378 nan 8.370 nan 0.000 0.593 102 F N -1.864 118.096 119.950 0.018 0.000 3.129 102 F HA 0.243 4.770 4.527 0.000 0.000 0.326 102 F C 1.351 177.170 175.800 0.032 0.000 1.202 102 F CA 0.171 58.186 58.000 0.025 0.000 0.929 102 F CB 0.665 39.684 39.000 0.032 0.000 1.473 102 F HN 0.405 nan 8.300 nan 0.000 0.512 103 T N -1.355 112.751 114.554 -0.746 0.000 2.739 103 T HA 0.027 4.377 4.350 0.000 0.000 0.249 103 T C 0.910 175.496 174.700 -0.190 0.000 1.050 103 T CA 0.871 62.673 62.100 -0.497 0.000 1.165 103 T CB -1.073 67.377 68.868 -0.696 0.000 0.872 103 T HN 0.544 nan 8.240 nan 0.000 0.411 104 C N 3.743 122.976 119.300 -0.113 0.000 2.298 104 C HA 0.116 4.576 4.460 0.000 0.000 0.395 104 C C 1.760 176.777 174.990 0.043 0.000 1.526 104 C CA -0.668 58.365 59.018 0.025 0.000 1.458 104 C CB -1.131 26.686 27.740 0.128 0.000 2.506 104 C HN 0.598 nan 8.230 nan 0.000 0.604 105 K N 2.374 122.787 120.400 0.022 0.000 1.992 105 K HA -0.049 4.271 4.320 0.000 0.000 0.207 105 K C 1.577 178.199 176.600 0.037 0.000 1.021 105 K CA 1.547 57.848 56.287 0.024 0.000 1.018 105 K CB -0.201 32.307 32.500 0.014 0.000 1.129 105 K HN 0.817 nan 8.250 nan 0.000 0.471 106 S N -0.987 114.730 115.700 0.028 0.000 2.687 106 S HA 0.226 4.697 4.470 0.000 0.000 0.247 106 S C 0.842 175.457 174.600 0.024 0.000 1.050 106 S CA -0.463 57.754 58.200 0.029 0.000 1.063 106 S CB 0.578 63.792 63.200 0.023 0.000 1.039 106 S HN 0.292 nan 8.310 nan 0.000 0.580 107 K N 1.202 121.615 120.400 0.022 0.000 2.585 107 K HA 0.253 4.573 4.320 0.000 0.000 0.210 107 K C -0.001 176.610 176.600 0.018 0.000 1.294 107 K CA 0.408 56.705 56.287 0.018 0.000 1.025 107 K CB 1.416 33.924 32.500 0.013 0.000 1.076 107 K HN 0.414 nan 8.250 nan 0.000 0.613 108 S N -0.543 115.169 115.700 0.020 0.000 2.751 108 S HA 0.628 5.098 4.470 0.000 0.000 0.310 108 S C -0.764 173.853 174.600 0.027 0.000 1.128 108 S CA -0.827 57.384 58.200 0.018 0.000 0.931 108 S CB 2.205 65.412 63.200 0.011 0.000 1.177 108 S HN 0.180 nan 8.310 nan 0.000 0.530 109 C N 1.253 120.567 119.300 0.024 0.000 2.599 109 C HA 0.595 5.055 4.460 0.000 0.000 0.354 109 C C -0.807 174.195 174.990 0.021 0.000 1.092 109 C CA -0.618 58.422 59.018 0.037 0.000 1.280 109 C CB -0.471 27.299 27.740 0.050 0.000 1.829 109 C HN 0.826 nan 8.230 nan 0.000 0.454 110 L N 5.910 127.130 121.223 -0.006 0.000 2.928 110 L HA 0.345 4.685 4.340 0.000 0.000 0.236 110 L C 1.957 178.828 176.870 0.002 0.000 1.290 110 L CA 0.980 55.806 54.840 -0.024 0.000 1.099 110 L CB -0.257 41.752 42.059 -0.084 0.000 1.437 110 L HN 0.991 nan 8.230 nan 0.000 0.493 111 G N -0.121 108.715 108.800 0.059 0.000 2.442 111 G HA2 -0.279 3.681 3.960 0.000 0.000 0.219 111 G HA3 -0.279 3.681 3.960 0.000 0.000 0.219 111 G C 1.579 176.562 174.900 0.138 0.000 1.141 111 G CA 1.125 46.297 45.100 0.119 0.000 0.763 111 G HN 0.545 nan 8.290 nan 0.000 0.554 112 S N -0.176 115.592 115.700 0.113 0.000 2.593 112 S HA 0.299 4.769 4.470 0.000 0.000 0.217 112 S C 0.822 175.503 174.600 0.135 0.000 0.966 112 S CA -0.541 57.743 58.200 0.140 0.000 0.914 112 S CB -0.008 63.257 63.200 0.108 0.000 0.776 112 S HN 0.050 nan 8.310 nan 0.000 0.523 113 I N 2.654 123.283 120.570 0.098 0.000 2.533 113 I HA 0.134 4.304 4.170 0.000 0.000 0.284 113 I C 1.630 177.823 176.117 0.127 0.000 1.109 113 I CA 0.095 61.443 61.300 0.080 0.000 1.412 113 I CB 0.068 38.083 38.000 0.026 0.000 1.396 113 I HN 0.326 nan 8.210 nan 0.000 0.543 114 M N 4.822 124.503 119.600 0.136 0.000 2.064 114 M HA -0.103 4.377 4.480 0.000 0.000 0.260 114 M C 0.348 176.698 176.300 0.084 0.000 1.073 114 M CA 1.615 57.027 55.300 0.186 0.000 1.124 114 M CB -0.138 32.560 32.600 0.164 0.000 1.326 114 M HN 0.514 nan 8.290 nan 0.000 0.410 115 N N 1.263 119.956 118.700 -0.011 0.000 3.012 115 N HA 0.317 5.057 4.740 0.000 0.000 0.270 115 N C -2.465 173.050 175.510 0.008 0.000 1.469 115 N CA -0.758 52.242 53.050 -0.084 0.000 0.928 115 N CB 0.409 38.755 38.487 -0.236 0.000 1.219 115 N HN 0.253 nan 8.380 nan 0.000 0.492 116 P HA 0.218 nan 4.420 nan 0.000 0.276 116 P C 0.603 177.927 177.300 0.040 0.000 1.244 116 P CA -0.352 62.752 63.100 0.005 0.000 0.801 116 P CB 2.009 33.670 31.700 -0.065 0.000 1.006 117 K N 0.427 120.830 120.400 0.006 0.000 2.152 117 K HA -0.115 4.205 4.320 0.000 0.000 0.206 117 K C 2.088 178.720 176.600 0.052 0.000 1.048 117 K CA 1.999 58.300 56.287 0.023 0.000 0.933 117 K CB -0.410 32.088 32.500 -0.004 0.000 0.721 117 K HN 0.560 nan 8.250 nan 0.000 0.447 118 S N 0.825 116.538 115.700 0.021 0.000 2.442 118 S HA -0.073 4.397 4.470 0.000 0.000 0.236 118 S C 1.634 176.363 174.600 0.214 0.000 1.007 118 S CA 0.821 59.066 58.200 0.075 0.000 0.965 118 S CB -0.223 62.969 63.200 -0.012 0.000 0.773 118 S HN 0.231 nan 8.310 nan 0.000 0.504 119 L N 1.040 122.410 121.223 0.244 0.000 2.640 119 L HA 0.286 4.626 4.340 0.000 0.000 0.230 119 L C -0.096 177.085 176.870 0.519 0.000 1.123 119 L CA -0.037 55.032 54.840 0.383 0.000 0.900 119 L CB 0.160 42.404 42.059 0.309 0.000 1.146 119 L HN 0.207 nan 8.230 nan 0.000 0.484 120 T N -0.049 114.727 114.554 0.370 0.000 2.807 120 T HA 0.422 4.772 4.350 0.000 0.000 0.279 120 T C -0.419 174.322 174.700 0.068 0.000 0.993 120 T CA -0.457 61.806 62.100 0.272 0.000 0.970 120 T CB 2.248 71.213 68.868 0.163 0.000 0.950 120 T HN -0.093 nan 8.240 nan 0.000 0.441 121 R N 2.072 122.574 120.500 0.003 0.000 2.310 121 R HA 0.576 4.916 4.340 0.000 0.000 0.316 121 R C 0.552 176.811 176.300 -0.069 0.000 1.004 121 R CA -0.424 55.568 56.100 -0.180 0.000 0.900 121 R CB 0.092 30.169 30.300 -0.372 0.000 1.152 121 R HN 0.829 nan 8.270 nan 0.000 0.513 122 G N 3.612 112.370 108.800 -0.069 0.000 2.631 122 G HA2 0.258 4.218 3.960 0.000 0.000 0.271 122 G HA3 0.258 4.218 3.960 0.000 0.000 0.271 122 G C -1.956 172.912 174.900 -0.055 0.000 1.302 122 G CA -0.817 44.249 45.100 -0.056 0.000 1.002 122 G HN 0.582 nan 8.290 nan 0.000 0.519 123 P HA 0.378 nan 4.420 nan 0.000 0.277 123 P C -0.634 176.645 177.300 -0.036 0.000 1.271 123 P CA -0.337 62.736 63.100 -0.045 0.000 0.795 123 P CB 1.302 32.969 31.700 -0.055 0.000 1.101 124 R N -0.487 119.997 120.500 -0.026 0.000 2.855 124 R HA 0.342 4.682 4.340 0.000 0.000 0.266 124 R C -0.271 176.020 176.300 -0.015 0.000 1.034 124 R CA -0.506 55.583 56.100 -0.019 0.000 0.944 124 R CB 1.204 31.497 30.300 -0.013 0.000 1.219 124 R HN 0.440 nan 8.270 nan 0.000 0.474 125 D N -0.640 119.754 120.400 -0.010 0.000 2.525 125 D HA 0.150 4.790 4.640 0.000 0.000 0.231 125 D C -0.439 175.863 176.300 0.004 0.000 1.216 125 D CA -0.066 53.929 54.000 -0.008 0.000 0.813 125 D CB 0.682 41.474 40.800 -0.014 0.000 1.108 125 D HN 0.216 nan 8.370 nan 0.000 0.524 126 K N 0.218 120.623 120.400 0.008 0.000 2.508 126 K HA 0.532 4.852 4.320 0.000 0.000 0.260 126 K C -2.994 173.616 176.600 0.015 0.000 0.949 126 K CA -1.891 54.404 56.287 0.014 0.000 0.834 126 K CB 2.494 35.000 32.500 0.010 0.000 1.365 126 K HN -0.223 nan 8.250 nan 0.000 0.437 127 P HA 0.014 nan 4.420 nan 0.000 0.270 127 P C -0.749 176.560 177.300 0.015 0.000 1.223 127 P CA -0.152 62.959 63.100 0.018 0.000 0.785 127 P CB 0.343 32.056 31.700 0.023 0.000 0.923 128 T N 3.898 118.462 114.554 0.016 0.000 2.829 128 T HA 0.126 4.476 4.350 0.000 0.000 0.293 128 T C -2.044 172.671 174.700 0.025 0.000 0.970 128 T CA -0.530 61.584 62.100 0.023 0.000 1.168 128 T CB -0.724 68.165 68.868 0.037 0.000 0.911 128 T HN 0.306 nan 8.240 nan 0.000 0.535 129 P HA -0.011 nan 4.420 nan 0.000 0.264 129 P C 1.239 178.542 177.300 0.004 0.000 1.183 129 P CA -0.406 62.699 63.100 0.008 0.000 0.763 129 P CB 0.429 32.130 31.700 0.002 0.000 0.807 130 L N 4.823 126.048 121.223 0.002 0.000 1.978 130 L HA -0.236 4.104 4.340 0.000 0.000 0.218 130 L C 1.882 178.736 176.870 -0.026 0.000 1.075 130 L CA 2.710 57.548 54.840 -0.004 0.000 0.767 130 L CB -1.214 40.843 42.059 -0.004 0.000 0.890 130 L HN 0.550 nan 8.230 nan 0.000 0.434 131 E N -0.553 119.628 120.200 -0.031 0.000 2.171 131 E HA -0.310 4.040 4.350 0.000 0.000 0.197 131 E C 1.961 178.509 176.600 -0.087 0.000 0.997 131 E CA 1.922 58.293 56.400 -0.049 0.000 0.810 131 E CB -0.390 29.288 29.700 -0.037 0.000 0.738 131 E HN 0.749 nan 8.360 nan 0.000 0.467 132 E N 0.087 120.237 120.200 -0.083 0.000 2.075 132 E HA -0.096 4.254 4.350 0.000 0.000 0.190 132 E C 2.065 178.537 176.600 -0.214 0.000 0.969 132 E CA 0.429 56.741 56.400 -0.147 0.000 0.815 132 E CB -0.034 29.640 29.700 -0.042 0.000 0.776 132 E HN 0.291 nan 8.360 nan 0.000 0.457 133 L N 1.248 122.441 121.223 -0.050 0.000 1.989 133 L HA -0.159 4.181 4.340 0.000 0.000 0.211 133 L C 2.348 179.221 176.870 0.006 0.000 1.071 133 L CA 1.509 56.372 54.840 0.039 0.000 0.749 133 L CB -0.847 41.263 42.059 0.085 0.000 0.890 133 L HN 0.296 nan 8.230 nan 0.000 0.431 134 L N 0.093 121.292 121.223 -0.040 0.000 2.021 134 L HA -0.167 4.173 4.340 0.000 0.000 0.215 134 L C -0.449 176.384 176.870 -0.061 0.000 1.074 134 L CA 2.356 57.159 54.840 -0.061 0.000 0.760 134 L CB -1.846 40.177 42.059 -0.059 0.000 0.889 134 L HN 0.221 nan 8.230 nan 0.000 0.433 135 P HA -0.124 nan 4.420 nan 0.000 0.217 135 P C 1.238 178.551 177.300 0.022 0.000 1.150 135 P CA 1.442 64.492 63.100 -0.084 0.000 0.832 135 P CB -0.170 31.430 31.700 -0.166 0.000 0.787 136 H N -0.487 118.623 119.070 0.067 0.000 2.357 136 H HA 0.039 4.595 4.556 0.000 0.000 0.301 136 H C 1.988 177.410 175.328 0.157 0.000 1.082 136 H CA 1.386 57.499 56.048 0.108 0.000 1.342 136 H CB -1.143 28.683 29.762 0.106 0.000 1.389 136 H HN 0.035 nan 8.280 nan 0.000 0.511 137 A N 1.131 124.091 122.820 0.235 0.000 1.883 137 A HA -0.132 4.188 4.320 0.000 0.000 0.217 137 A C 2.672 180.345 177.584 0.147 0.000 1.186 137 A CA 1.527 53.657 52.037 0.155 0.000 0.624 137 A CB -0.872 17.985 19.000 -0.238 0.000 0.822 137 A HN 0.315 nan 8.150 nan 0.000 0.444 138 I N -0.732 119.884 120.570 0.076 0.000 2.226 138 I HA -0.222 3.949 4.170 0.000 0.000 0.245 138 I C 2.651 178.849 176.117 0.135 0.000 1.100 138 I CA 1.460 62.808 61.300 0.079 0.000 1.374 138 I CB -0.338 37.682 38.000 0.033 0.000 1.057 138 I HN 0.383 nan 8.210 nan 0.000 0.413 139 E N 1.111 121.411 120.200 0.166 0.000 2.058 139 E HA -0.273 4.077 4.350 0.000 0.000 0.194 139 E C 2.138 178.864 176.600 0.211 0.000 0.997 139 E CA 1.681 58.186 56.400 0.175 0.000 0.801 139 E CB -0.278 29.542 29.700 0.200 0.000 0.746 139 E HN 0.431 nan 8.360 nan 0.000 0.450 140 F N 1.420 121.461 119.950 0.152 0.000 2.134 140 F HA -0.197 4.330 4.527 0.000 0.000 0.299 140 F C 2.148 178.053 175.800 0.174 0.000 1.097 140 F CA 1.062 59.170 58.000 0.182 0.000 1.264 140 F CB -0.265 38.862 39.000 0.211 0.000 1.001 140 F HN -0.022 nan 8.300 nan 0.000 0.479 141 I N 0.930 121.529 120.570 0.047 0.000 2.208 141 I HA -0.320 3.850 4.170 0.000 0.000 0.245 141 I C 2.011 178.094 176.117 -0.058 0.000 1.097 141 I CA 1.276 62.575 61.300 -0.001 0.000 1.363 141 I CB -1.671 36.439 38.000 0.184 0.000 1.051 141 I HN 0.246 nan 8.210 nan 0.000 0.413 142 N N 0.714 119.420 118.700 0.010 0.000 2.120 142 N HA -0.220 4.520 4.740 0.000 0.000 0.188 142 N C 1.858 177.255 175.510 -0.188 0.000 1.024 142 N CA 1.047 54.087 53.050 -0.016 0.000 0.852 142 N CB -0.392 38.158 38.487 0.104 0.000 1.003 142 N HN 0.512 nan 8.380 nan 0.000 0.424 143 Q N -0.387 119.324 119.800 -0.149 0.000 2.084 143 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 143 Q C 2.013 177.778 176.000 -0.393 0.000 0.978 143 Q CA 1.151 56.873 55.803 -0.134 0.000 0.844 143 Q CB -0.161 28.612 28.738 0.058 0.000 0.898 143 Q HN 0.500 nan 8.270 nan 0.000 0.426 144 Y N -0.364 119.427 120.300 -0.848 0.000 2.089 144 Y HA -0.314 4.236 4.550 0.000 0.000 0.282 144 Y C 1.643 176.678 175.900 -1.441 0.000 1.139 144 Y CA 2.028 59.266 58.100 -1.436 0.000 1.123 144 Y CB -0.366 37.256 38.460 -1.397 0.000 0.980 144 Y HN 0.166 nan 8.280 nan 0.000 0.493 145 Y N 0.020 119.521 120.300 -1.332 0.000 2.352 145 Y HA -0.038 4.512 4.550 0.000 0.000 0.292 145 Y C 2.557 177.759 175.900 -1.163 0.000 1.136 145 Y CA 1.227 58.356 58.100 -1.619 0.000 1.227 145 Y CB -0.786 36.883 38.460 -1.318 0.000 0.991 145 Y HN 0.263 nan 8.280 nan 0.000 0.545 146 G N -1.827 106.584 108.800 -0.648 0.000 2.598 146 G HA2 -0.187 3.773 3.960 0.000 0.000 0.215 146 G HA3 -0.187 3.773 3.960 0.000 0.000 0.215 146 G C 1.811 176.528 174.900 -0.306 0.000 1.131 146 G CA 0.921 45.815 45.100 -0.343 0.000 0.785 146 G HN 0.407 nan 8.290 nan 0.000 0.539 147 S N -0.117 115.278 115.700 -0.508 0.000 2.436 147 S HA 0.201 4.671 4.470 0.000 0.000 0.228 147 S C 0.886 175.438 174.600 -0.081 0.000 1.014 147 S CA -0.575 57.456 58.200 -0.281 0.000 0.950 147 S CB -0.380 62.553 63.200 -0.445 0.000 0.784 147 S HN 0.254 nan 8.310 nan 0.000 0.504 148 F N 2.191 121.959 119.950 -0.304 0.000 2.572 148 F HA 0.134 4.661 4.527 0.000 0.000 0.370 148 F C 1.623 177.355 175.800 -0.114 0.000 1.103 148 F CA -0.400 57.470 58.000 -0.216 0.000 1.286 148 F CB 0.608 39.475 39.000 -0.223 0.000 1.105 148 F HN 0.169 nan 8.300 nan 0.000 0.583 149 K N 1.172 121.635 120.400 0.106 0.000 2.228 149 K HA -0.050 4.270 4.320 0.000 0.000 0.202 149 K C 0.133 176.758 176.600 0.042 0.000 1.051 149 K CA 0.936 57.253 56.287 0.050 0.000 0.960 149 K CB 0.272 32.785 32.500 0.021 0.000 0.743 149 K HN 0.493 nan 8.250 nan 0.000 0.458 150 E N 1.312 121.537 120.200 0.041 0.000 2.256 150 E HA 0.189 4.539 4.350 0.000 0.000 0.243 150 E C -1.167 175.487 176.600 0.089 0.000 0.925 150 E CA -0.300 56.118 56.400 0.030 0.000 0.748 150 E CB 1.325 31.013 29.700 -0.019 0.000 1.206 150 E HN 0.291 nan 8.360 nan 0.000 0.428 151 A N 3.360 126.246 122.820 0.110 0.000 2.587 151 A HA -0.043 4.277 4.320 0.000 0.000 0.233 151 A C 0.376 178.057 177.584 0.163 0.000 1.049 151 A CA 0.574 52.704 52.037 0.154 0.000 0.754 151 A CB 0.191 19.246 19.000 0.091 0.000 0.977 151 A HN 0.408 nan 8.150 nan 0.000 0.509 152 K N 3.533 124.086 120.400 0.256 0.000 2.682 152 K HA 0.217 4.537 4.320 0.000 0.000 0.189 152 K C 0.431 177.114 176.600 0.139 0.000 1.062 152 K CA -0.646 55.766 56.287 0.209 0.000 0.997 152 K CB 0.476 33.163 32.500 0.311 0.000 1.405 152 K HN 0.634 nan 8.250 nan 0.000 0.588 153 I N 1.294 121.911 120.570 0.078 0.000 2.113 153 I HA -0.354 3.816 4.170 0.000 0.000 0.242 153 I C 1.918 178.010 176.117 -0.042 0.000 1.057 153 I CA 1.896 63.206 61.300 0.017 0.000 1.314 153 I CB -0.575 37.421 38.000 -0.006 0.000 1.022 153 I HN 0.559 nan 8.210 nan 0.000 0.408 154 E N 0.491 120.679 120.200 -0.022 0.000 2.058 154 E HA -0.239 4.111 4.350 0.000 0.000 0.194 154 E C 2.101 178.668 176.600 -0.056 0.000 0.997 154 E CA 1.444 57.822 56.400 -0.036 0.000 0.801 154 E CB -0.156 29.539 29.700 -0.008 0.000 0.746 154 E HN 0.585 nan 8.360 nan 0.000 0.450 155 E N -0.236 119.950 120.200 -0.024 0.000 2.110 155 E HA -0.215 4.135 4.350 0.000 0.000 0.193 155 E C 2.074 178.459 176.600 -0.358 0.000 0.988 155 E CA 0.855 57.239 56.400 -0.027 0.000 0.804 155 E CB -0.228 29.594 29.700 0.204 0.000 0.745 155 E HN 0.442 nan 8.360 nan 0.000 0.458 156 H N 0.995 119.585 119.070 -0.800 0.000 2.267 156 H HA -0.114 4.442 4.556 0.000 0.000 0.297 156 H C 2.282 177.277 175.328 -0.554 0.000 1.080 156 H CA 1.255 56.564 56.048 -1.230 0.000 1.278 156 H CB 0.041 29.366 29.762 -0.728 0.000 1.365 156 H HN 0.054 nan 8.280 nan 0.000 0.489 157 L N 0.310 121.353 121.223 -0.299 0.000 2.042 157 L HA -0.173 4.167 4.340 0.000 0.000 0.210 157 L C 3.055 179.843 176.870 -0.137 0.000 1.076 157 L CA 0.900 55.593 54.840 -0.245 0.000 0.749 157 L CB -0.575 41.364 42.059 -0.199 0.000 0.893 157 L HN 0.412 nan 8.230 nan 0.000 0.432 158 A N 0.173 122.929 122.820 -0.106 0.000 1.902 158 A HA -0.240 4.080 4.320 0.000 0.000 0.217 158 A C 2.377 179.954 177.584 -0.012 0.000 1.181 158 A CA 1.813 53.824 52.037 -0.044 0.000 0.623 158 A CB -0.448 18.544 19.000 -0.015 0.000 0.818 158 A HN 0.279 nan 8.150 nan 0.000 0.443 159 R N -0.024 120.469 120.500 -0.011 0.000 2.075 159 R HA 0.060 4.400 4.340 0.000 0.000 0.232 159 R C 1.898 178.235 176.300 0.062 0.000 1.126 159 R CA 1.382 57.533 56.100 0.086 0.000 0.963 159 R CB -0.849 29.593 30.300 0.237 0.000 0.858 159 R HN 0.510 nan 8.270 nan 0.000 0.435 160 L N 0.273 121.509 121.223 0.021 0.000 2.012 160 L HA -0.196 4.144 4.340 0.000 0.000 0.210 160 L C 2.556 179.413 176.870 -0.023 0.000 1.073 160 L CA 2.131 56.974 54.840 0.005 0.000 0.748 160 L CB -0.556 41.479 42.059 -0.040 0.000 0.891 160 L HN 0.416 nan 8.230 nan 0.000 0.431 161 E N 0.070 120.251 120.200 -0.031 0.000 2.051 161 E HA -0.253 4.097 4.350 0.000 0.000 0.192 161 E C 2.191 178.783 176.600 -0.013 0.000 0.991 161 E CA 1.244 57.627 56.400 -0.028 0.000 0.799 161 E CB -0.033 29.648 29.700 -0.031 0.000 0.748 161 E HN 0.447 nan 8.360 nan 0.000 0.449 162 A N 0.597 123.421 122.820 0.006 0.000 1.883 162 A HA -0.172 4.149 4.320 0.000 0.000 0.217 162 A C 2.452 180.047 177.584 0.019 0.000 1.186 162 A CA 1.737 53.789 52.037 0.025 0.000 0.624 162 A CB -0.883 18.148 19.000 0.052 0.000 0.822 162 A HN 0.246 nan 8.150 nan 0.000 0.444 163 V N -0.257 119.659 119.914 0.003 0.000 2.343 163 V HA -0.241 3.879 4.120 0.000 0.000 0.247 163 V C 2.757 178.778 176.094 -0.121 0.000 1.051 163 V CA 2.495 64.749 62.300 -0.076 0.000 1.036 163 V CB -1.308 30.417 31.823 -0.164 0.000 0.654 163 V HN 0.630 nan 8.190 nan 0.000 0.451 164 T N -0.313 114.189 114.554 -0.087 0.000 2.684 164 T HA -0.242 4.108 4.350 0.000 0.000 0.267 164 T C 1.942 176.617 174.700 -0.043 0.000 1.036 164 T CA 1.707 63.763 62.100 -0.074 0.000 1.148 164 T CB -0.230 68.606 68.868 -0.053 0.000 0.863 164 T HN 0.474 nan 8.240 nan 0.000 0.436 165 K N 0.654 121.041 120.400 -0.022 0.000 2.057 165 K HA -0.093 4.227 4.320 0.000 0.000 0.206 165 K C 2.455 179.061 176.600 0.010 0.000 1.050 165 K CA 1.184 57.469 56.287 -0.005 0.000 0.935 165 K CB -0.160 32.341 32.500 0.002 0.000 0.715 165 K HN 0.452 nan 8.250 nan 0.000 0.439 166 E N 1.247 121.460 120.200 0.022 0.000 2.058 166 E HA -0.212 4.138 4.350 0.000 0.000 0.194 166 E C 1.978 178.613 176.600 0.058 0.000 0.997 166 E CA 1.242 57.674 56.400 0.054 0.000 0.801 166 E CB -0.039 29.719 29.700 0.098 0.000 0.746 166 E HN 0.231 nan 8.360 nan 0.000 0.450 167 I N 0.823 121.415 120.570 0.038 0.000 2.226 167 I HA -0.261 3.909 4.170 0.000 0.000 0.245 167 I C 2.281 178.414 176.117 0.026 0.000 1.100 167 I CA 1.399 62.725 61.300 0.044 0.000 1.374 167 I CB -0.300 37.695 38.000 -0.009 0.000 1.057 167 I HN 0.173 nan 8.210 nan 0.000 0.413 168 E N 0.177 120.381 120.200 0.007 0.000 2.153 168 E HA -0.195 4.155 4.350 0.000 0.000 0.194 168 E C 2.116 178.723 176.600 0.012 0.000 0.988 168 E CA 1.953 58.355 56.400 0.004 0.000 0.811 168 E CB -0.085 29.612 29.700 -0.005 0.000 0.746 168 E HN 0.623 nan 8.360 nan 0.000 0.466 169 T N -2.217 112.347 114.554 0.017 0.000 3.031 169 T HA -0.034 4.316 4.350 0.000 0.000 0.254 169 T C 2.098 176.813 174.700 0.025 0.000 1.060 169 T CA 1.139 63.251 62.100 0.019 0.000 1.135 169 T CB -0.037 68.842 68.868 0.019 0.000 0.896 169 T HN 0.187 nan 8.240 nan 0.000 0.472 170 T N -2.507 112.068 114.554 0.034 0.000 2.990 170 T HA 0.513 4.863 4.350 0.000 0.000 0.249 170 T C 1.962 176.686 174.700 0.040 0.000 1.039 170 T CA 0.836 62.958 62.100 0.038 0.000 1.036 170 T CB -0.064 68.833 68.868 0.048 0.000 0.994 170 T HN 0.908 nan 8.240 nan 0.000 0.489 171 G N 0.106 108.933 108.800 0.046 0.000 2.194 171 G HA2 -0.137 3.823 3.960 0.000 0.000 0.236 171 G HA3 -0.137 3.823 3.960 0.000 0.000 0.236 171 G C 0.224 175.166 174.900 0.071 0.000 0.987 171 G CA 0.520 45.648 45.100 0.046 0.000 0.635 171 G HN 1.029 nan 8.290 nan 0.000 0.520 172 T N -1.388 113.227 114.554 0.102 0.000 2.649 172 T HA 0.680 5.030 4.350 0.000 0.000 0.305 172 T C -1.768 173.093 174.700 0.270 0.000 1.409 172 T CA 0.575 62.774 62.100 0.165 0.000 1.021 172 T CB 1.211 70.118 68.868 0.065 0.000 1.726 172 T HN 1.717 nan 8.240 nan 0.000 0.475 173 Y N -0.360 119.947 120.300 0.013 0.000 2.656 173 Y HA 0.786 5.337 4.550 0.000 0.000 0.334 173 Y C -1.546 174.372 175.900 0.030 0.000 1.179 173 Y CA -1.211 56.907 58.100 0.028 0.000 1.050 173 Y CB 0.840 39.329 38.460 0.048 0.000 1.308 173 Y HN 0.432 nan 8.280 nan 0.000 0.456 174 Q N 2.564 122.380 119.800 0.026 0.000 2.282 174 Q HA 0.520 4.860 4.340 0.000 0.000 0.260 174 Q C -0.842 175.163 176.000 0.008 0.000 0.964 174 Q CA -0.728 55.044 55.803 -0.052 0.000 0.880 174 Q CB 2.726 31.477 28.738 0.022 0.000 1.286 174 Q HN 0.858 nan 8.270 nan 0.000 0.445 175 L N 1.393 122.591 121.223 -0.042 0.000 2.399 175 L HA 0.352 4.692 4.340 0.000 0.000 0.266 175 L C 1.108 178.003 176.870 0.042 0.000 1.114 175 L CA -0.498 54.366 54.840 0.041 0.000 0.804 175 L CB 0.908 42.974 42.059 0.011 0.000 1.146 175 L HN 0.683 nan 8.230 nan 0.000 0.451 176 T N -1.219 113.357 114.554 0.037 0.000 2.816 176 T HA 0.137 4.487 4.350 0.000 0.000 0.282 176 T C 0.888 175.582 174.700 -0.010 0.000 0.993 176 T CA -0.682 61.427 62.100 0.015 0.000 0.994 176 T CB 1.018 69.891 68.868 0.008 0.000 1.025 176 T HN 0.448 nan 8.240 nan 0.000 0.529 177 L N 0.621 121.842 121.223 -0.004 0.000 2.017 177 L HA -0.003 4.337 4.340 0.000 0.000 0.208 177 L C 2.059 178.929 176.870 0.000 0.000 1.073 177 L CA 1.926 56.758 54.840 -0.013 0.000 0.745 177 L CB -1.206 40.846 42.059 -0.011 0.000 0.894 177 L HN 0.724 nan 8.230 nan 0.000 0.432 178 D N -0.398 120.014 120.400 0.020 0.000 2.178 178 D HA -0.187 4.453 4.640 0.000 0.000 0.201 178 D C 2.056 178.394 176.300 0.063 0.000 0.980 178 D CA 1.330 55.381 54.000 0.084 0.000 0.842 178 D CB 0.080 40.978 40.800 0.162 0.000 0.948 178 D HN 0.556 nan 8.370 nan 0.000 0.472 179 E N 0.073 120.171 120.200 -0.171 0.000 2.047 179 E HA -0.132 4.218 4.350 0.000 0.000 0.191 179 E C 2.073 178.784 176.600 0.185 0.000 0.987 179 E CA 0.219 56.480 56.400 -0.231 0.000 0.799 179 E CB -0.051 29.506 29.700 -0.238 0.000 0.752 179 E HN 0.079 nan 8.360 nan 0.000 0.449 180 L N 1.359 122.612 121.223 0.049 0.000 2.012 180 L HA -0.185 4.155 4.340 0.000 0.000 0.210 180 L C 2.046 178.921 176.870 0.009 0.000 1.073 180 L CA 1.599 56.420 54.840 -0.032 0.000 0.748 180 L CB -0.331 41.654 42.059 -0.123 0.000 0.891 180 L HN 0.137 nan 8.230 nan 0.000 0.431 181 I N -1.297 119.304 120.570 0.052 0.000 2.208 181 I HA -0.348 3.822 4.170 0.000 0.000 0.245 181 I C 2.409 178.631 176.117 0.175 0.000 1.097 181 I CA 1.865 63.207 61.300 0.069 0.000 1.363 181 I CB -0.466 37.576 38.000 0.070 0.000 1.051 181 I HN 0.338 nan 8.210 nan 0.000 0.413 182 F N 1.722 121.765 119.950 0.155 0.000 2.134 182 F HA -0.242 4.285 4.527 0.000 0.000 0.299 182 F C 2.504 178.451 175.800 0.246 0.000 1.097 182 F CA 1.576 59.725 58.000 0.249 0.000 1.264 182 F CB -0.189 39.039 39.000 0.380 0.000 1.001 182 F HN -0.002 nan 8.300 nan 0.000 0.479 183 A N 0.062 123.019 122.820 0.228 0.000 1.902 183 A HA -0.220 4.101 4.320 0.000 0.000 0.217 183 A C 2.246 179.751 177.584 -0.132 0.000 1.181 183 A CA 2.469 54.522 52.037 0.027 0.000 0.623 183 A CB -1.644 17.312 19.000 -0.072 0.000 0.818 183 A HN 0.560 nan 8.150 nan 0.000 0.443 184 T N -1.890 112.620 114.554 -0.073 0.000 2.821 184 T HA -0.114 4.237 4.350 0.000 0.000 0.267 184 T C 1.809 176.561 174.700 0.085 0.000 1.046 184 T CA 1.601 63.691 62.100 -0.018 0.000 1.139 184 T CB -0.288 68.584 68.868 0.007 0.000 0.871 184 T HN 0.525 nan 8.240 nan 0.000 0.454 185 K N 0.082 120.543 120.400 0.101 0.000 2.103 185 K HA 0.133 4.453 4.320 0.000 0.000 0.204 185 K C 2.470 179.160 176.600 0.151 0.000 1.052 185 K CA 1.002 57.446 56.287 0.263 0.000 0.945 185 K CB -0.177 32.490 32.500 0.278 0.000 0.722 185 K HN 0.239 nan 8.250 nan 0.000 0.443 186 M N 0.416 119.921 119.600 -0.157 0.000 2.132 186 M HA -0.050 4.430 4.480 0.000 0.000 0.263 186 M C 2.404 178.559 176.300 -0.241 0.000 1.065 186 M CA 1.313 56.420 55.300 -0.322 0.000 1.122 186 M CB -0.976 31.316 32.600 -0.514 0.000 1.365 186 M HN 0.135 nan 8.290 nan 0.000 0.411 187 A N -0.733 121.922 122.820 -0.276 0.000 1.933 187 A HA -0.210 4.110 4.320 0.000 0.000 0.218 187 A C 2.010 179.466 177.584 -0.213 0.000 1.175 187 A CA 1.421 53.168 52.037 -0.484 0.000 0.628 187 A CB -1.094 17.198 19.000 -1.179 0.000 0.814 187 A HN 0.672 nan 8.150 nan 0.000 0.444 188 W N 0.936 122.159 121.300 -0.127 0.000 2.379 188 W HA -0.111 4.549 4.660 0.000 0.000 0.307 188 W C 2.296 178.734 176.519 -0.135 0.000 1.200 188 W CA 1.472 58.788 57.345 -0.047 0.000 1.297 188 W CB -0.717 28.731 29.460 -0.019 0.000 1.140 188 W HN 0.358 nan 8.180 nan 0.000 0.507 189 R N 0.369 120.787 120.500 -0.137 0.000 2.127 189 R HA -0.178 4.163 4.340 0.000 0.000 0.238 189 R C 1.257 177.399 176.300 -0.263 0.000 1.134 189 R CA 1.780 57.624 56.100 -0.427 0.000 0.975 189 R CB -0.493 29.329 30.300 -0.797 0.000 0.865 189 R HN 0.067 nan 8.270 nan 0.000 0.447 190 N N 0.059 118.645 118.700 -0.191 0.000 2.322 190 N HA 0.060 4.800 4.740 0.000 0.000 0.194 190 N C -0.735 174.701 175.510 -0.123 0.000 1.126 190 N CA 0.456 53.434 53.050 -0.121 0.000 0.845 190 N CB 1.006 39.468 38.487 -0.042 0.000 0.976 190 N HN 0.152 nan 8.380 nan 0.000 0.475 191 A N 1.671 124.398 122.820 -0.154 0.000 2.437 191 A HA 0.337 4.658 4.320 0.000 0.000 0.303 191 A C -1.341 176.175 177.584 -0.113 0.000 1.324 191 A CA -1.094 50.809 52.037 -0.224 0.000 0.983 191 A CB 0.473 19.406 19.000 -0.112 0.000 1.142 191 A HN -0.024 nan 8.150 nan 0.000 0.541 192 P HA -0.122 nan 4.420 nan 0.000 0.220 192 P C 1.052 178.304 177.300 -0.079 0.000 1.148 192 P CA 1.107 64.167 63.100 -0.067 0.000 0.803 192 P CB 0.165 31.832 31.700 -0.054 0.000 0.782 193 R N -2.028 118.385 120.500 -0.146 0.000 2.334 193 R HA 0.151 4.491 4.340 0.000 0.000 0.220 193 R C 0.170 176.475 176.300 0.007 0.000 0.917 193 R CA -0.146 55.888 56.100 -0.109 0.000 1.073 193 R CB -0.457 29.572 30.300 -0.451 0.000 1.056 193 R HN 0.189 nan 8.270 nan 0.000 0.506 194 C N 0.675 119.959 119.300 -0.026 0.000 2.273 194 C HA 0.322 4.782 4.460 0.000 0.000 0.328 194 C C 1.712 176.679 174.990 -0.038 0.000 1.275 194 C CA -0.839 58.194 59.018 0.025 0.000 1.704 194 C CB -0.398 27.416 27.740 0.124 0.000 2.326 194 C HN 0.561 nan 8.230 nan 0.000 0.517 195 I N 4.183 124.708 120.570 -0.075 0.000 3.428 195 I HA 0.172 4.342 4.170 0.000 0.000 0.286 195 I C 1.740 177.921 176.117 0.107 0.000 1.287 195 I CA 1.003 62.225 61.300 -0.129 0.000 1.396 195 I CB 0.086 38.002 38.000 -0.140 0.000 1.062 195 I HN 0.922 nan 8.210 nan 0.000 0.471 196 G N -0.021 108.832 108.800 0.087 0.000 3.523 196 G HA2 0.056 4.016 3.960 0.000 0.000 0.270 196 G HA3 0.056 4.016 3.960 0.000 0.000 0.270 196 G C 1.131 176.031 174.900 0.001 0.000 1.134 196 G CA -0.387 44.748 45.100 0.058 0.000 0.825 196 G HN 0.241 nan 8.290 nan 0.000 0.534 197 R N -0.133 120.293 120.500 -0.122 0.000 2.341 197 R HA 0.120 4.460 4.340 0.000 0.000 0.213 197 R C 2.004 177.807 176.300 -0.828 0.000 1.082 197 R CA 0.234 55.960 56.100 -0.622 0.000 1.017 197 R CB -0.188 29.739 30.300 -0.622 0.000 0.860 197 R HN 0.449 nan 8.270 nan 0.000 0.473 198 I N 0.580 120.859 120.570 -0.484 0.000 2.614 198 I HA -0.236 3.934 4.170 0.000 0.000 0.258 198 I C 1.157 177.179 176.117 -0.157 0.000 1.189 198 I CA 1.214 62.412 61.300 -0.171 0.000 1.462 198 I CB 0.162 38.170 38.000 0.014 0.000 1.092 198 I HN 0.246 nan 8.210 nan 0.000 0.442 199 Q N 0.466 120.097 119.800 -0.282 0.000 2.360 199 Q HA -0.094 4.246 4.340 0.000 0.000 0.202 199 Q C 1.616 177.184 176.000 -0.720 0.000 0.915 199 Q CA 0.269 55.902 55.803 -0.282 0.000 0.943 199 Q CB -0.152 28.577 28.738 -0.015 0.000 1.064 199 Q HN 0.768 nan 8.270 nan 0.000 0.511 200 W N 1.335 121.855 121.300 -1.300 0.000 2.296 200 W HA -0.251 4.409 4.660 0.000 0.000 0.296 200 W C 1.197 177.387 176.519 -0.549 0.000 1.220 200 W CA 1.617 58.021 57.345 -1.568 0.000 1.223 200 W CB -1.203 27.596 29.460 -1.103 0.000 1.139 200 W HN 0.171 nan 8.180 nan 0.000 0.534 201 S N 0.213 115.164 115.700 -1.249 0.000 2.558 201 S HA -0.006 4.464 4.470 0.000 0.000 0.217 201 S C 0.499 174.868 174.600 -0.384 0.000 0.975 201 S CA 0.224 57.818 58.200 -1.010 0.000 0.912 201 S CB -0.572 61.878 63.200 -1.250 0.000 0.776 201 S HN 0.181 nan 8.310 nan 0.000 0.526 202 N N 1.286 119.867 118.700 -0.198 0.000 2.699 202 N HA 0.531 5.271 4.740 0.000 0.000 0.232 202 N C -1.450 174.167 175.510 0.178 0.000 1.027 202 N CA -0.565 52.485 53.050 -0.001 0.000 0.920 202 N CB 0.736 39.242 38.487 0.032 0.000 1.148 202 N HN 0.412 nan 8.380 nan 0.000 0.509 203 L N 1.988 123.277 121.223 0.109 0.000 2.505 203 L HA 0.466 4.806 4.340 0.000 0.000 0.266 203 L C -1.122 175.712 176.870 -0.061 0.000 0.954 203 L CA -0.613 54.279 54.840 0.088 0.000 0.852 203 L CB 1.955 44.121 42.059 0.177 0.000 1.282 203 L HN 0.355 nan 8.230 nan 0.000 0.403 204 Q N 3.023 122.732 119.800 -0.152 0.000 2.267 204 Q HA 0.642 4.982 4.340 0.000 0.000 0.255 204 Q C -1.687 173.960 176.000 -0.589 0.000 0.923 204 Q CA -0.220 55.325 55.803 -0.430 0.000 0.925 204 Q CB 1.555 29.894 28.738 -0.666 0.000 1.195 204 Q HN 0.533 nan 8.270 nan 0.000 0.417 205 V N 5.738 125.294 119.914 -0.598 0.000 2.384 205 V HA 0.431 4.551 4.120 0.000 0.000 0.287 205 V C -0.881 174.839 176.094 -0.624 0.000 1.020 205 V CA -0.594 61.411 62.300 -0.491 0.000 0.850 205 V CB 0.683 32.352 31.823 -0.256 0.000 0.987 205 V HN 0.668 nan 8.190 nan 0.000 0.436 206 F N 2.670 122.472 119.950 -0.248 0.000 2.361 206 F HA 0.369 4.896 4.527 0.000 0.000 0.364 206 F C 0.490 176.125 175.800 -0.276 0.000 1.120 206 F CA -1.087 56.764 58.000 -0.249 0.000 1.102 206 F CB 0.972 39.824 39.000 -0.248 0.000 1.183 206 F HN 0.446 nan 8.300 nan 0.000 0.476 207 D N 3.353 123.709 120.400 -0.074 0.000 2.374 207 D HA 0.363 5.003 4.640 0.000 0.000 0.240 207 D C 0.157 176.328 176.300 -0.216 0.000 1.229 207 D CA 0.129 54.040 54.000 -0.149 0.000 0.895 207 D CB 0.928 41.668 40.800 -0.099 0.000 1.046 207 D HN 0.586 nan 8.370 nan 0.000 0.498 208 A N 4.586 127.162 122.820 -0.406 0.000 2.701 208 A HA 0.178 4.498 4.320 0.000 0.000 0.297 208 A C 1.568 178.947 177.584 -0.340 0.000 1.197 208 A CA -0.438 51.234 52.037 -0.609 0.000 0.963 208 A CB 0.016 18.221 19.000 -1.324 0.000 1.175 208 A HN 0.540 nan 8.150 nan 0.000 0.531 209 R N 0.785 121.170 120.500 -0.191 0.000 2.285 209 R HA -0.088 4.252 4.340 0.000 0.000 0.213 209 R C 1.065 177.313 176.300 -0.086 0.000 1.068 209 R CA 1.187 57.227 56.100 -0.100 0.000 1.004 209 R CB 0.028 30.317 30.300 -0.019 0.000 0.873 209 R HN 0.711 nan 8.270 nan 0.000 0.467 210 N N -0.341 118.324 118.700 -0.059 0.000 2.280 210 N HA -0.051 4.689 4.740 0.000 0.000 0.192 210 N C 0.343 175.881 175.510 0.046 0.000 1.109 210 N CA -0.221 52.829 53.050 0.000 0.000 0.855 210 N CB -0.419 38.084 38.487 0.028 0.000 0.974 210 N HN 0.001 nan 8.380 nan 0.000 0.482 211 C N 1.244 120.562 119.300 0.030 0.000 2.702 211 C HA 0.351 4.811 4.460 0.000 0.000 0.411 211 C C 1.771 176.900 174.990 0.231 0.000 1.286 211 C CA 0.674 59.796 59.018 0.173 0.000 1.979 211 C CB -0.067 27.824 27.740 0.252 0.000 2.728 211 C HN 0.679 nan 8.230 nan 0.000 0.652 212 S N 1.079 116.997 115.700 0.363 0.000 2.658 212 S HA 0.183 4.653 4.470 0.000 0.000 0.277 212 S C 0.254 175.050 174.600 0.326 0.000 1.078 212 S CA 0.444 58.896 58.200 0.420 0.000 1.124 212 S CB -0.261 63.081 63.200 0.236 0.000 1.016 212 S HN 1.038 nan 8.310 nan 0.000 0.543 213 T N -0.909 113.795 114.554 0.251 0.000 2.950 213 T HA 0.848 5.198 4.350 0.000 0.000 0.288 213 T C 1.251 176.024 174.700 0.121 0.000 1.035 213 T CA -0.175 62.011 62.100 0.143 0.000 1.028 213 T CB 1.533 70.475 68.868 0.122 0.000 1.109 213 T HN 0.293 nan 8.240 nan 0.000 0.514 214 A N 0.446 123.303 122.820 0.062 0.000 1.969 214 A HA -0.048 4.272 4.320 0.000 0.000 0.218 214 A C 2.306 179.834 177.584 -0.092 0.000 1.169 214 A CA 1.926 53.979 52.037 0.027 0.000 0.635 214 A CB -1.130 17.966 19.000 0.159 0.000 0.810 214 A HN 0.884 nan 8.150 nan 0.000 0.445 215 Q N 0.446 120.279 119.800 0.056 0.000 2.084 215 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 215 Q C 1.747 177.760 176.000 0.021 0.000 0.978 215 Q CA 2.291 58.109 55.803 0.025 0.000 0.844 215 Q CB -0.422 28.421 28.738 0.176 0.000 0.898 215 Q HN 0.739 nan 8.270 nan 0.000 0.426 216 E N -0.474 119.776 120.200 0.084 0.000 2.110 216 E HA -0.170 4.180 4.350 0.000 0.000 0.193 216 E C 2.052 178.785 176.600 0.221 0.000 0.988 216 E CA 1.315 57.788 56.400 0.121 0.000 0.804 216 E CB -0.154 29.669 29.700 0.206 0.000 0.745 216 E HN 0.466 nan 8.360 nan 0.000 0.458 217 M N 0.002 119.740 119.600 0.229 0.000 2.086 217 M HA -0.163 4.317 4.480 0.000 0.000 0.261 217 M C 2.233 178.641 176.300 0.181 0.000 1.067 217 M CA 1.291 56.763 55.300 0.286 0.000 1.116 217 M CB -0.319 32.254 32.600 -0.046 0.000 1.348 217 M HN 0.114 nan 8.290 nan 0.000 0.407 218 F N 1.486 121.274 119.950 -0.270 0.000 2.126 218 F HA -0.278 4.249 4.527 0.000 0.000 0.299 218 F C 2.287 177.992 175.800 -0.158 0.000 1.096 218 F CA 1.857 59.637 58.000 -0.366 0.000 1.255 218 F CB -0.520 37.958 39.000 -0.870 0.000 0.997 218 F HN 0.189 nan 8.300 nan 0.000 0.479 219 Q N -1.101 118.552 119.800 -0.245 0.000 2.079 219 Q HA -0.209 4.131 4.340 0.000 0.000 0.200 219 Q C 2.210 178.031 176.000 -0.298 0.000 0.974 219 Q CA 1.579 57.174 55.803 -0.346 0.000 0.840 219 Q CB -0.515 28.072 28.738 -0.252 0.000 0.898 219 Q HN 0.537 nan 8.270 nan 0.000 0.430 220 H N 0.376 119.392 119.070 -0.090 0.000 2.353 220 H HA -0.064 4.492 4.556 0.000 0.000 0.300 220 H C 2.158 177.415 175.328 -0.118 0.000 1.090 220 H CA 1.192 57.178 56.048 -0.104 0.000 1.327 220 H CB -0.021 29.732 29.762 -0.016 0.000 1.383 220 H HN 0.251 nan 8.280 nan 0.000 0.508 221 I N -0.135 120.486 120.570 0.085 0.000 2.252 221 I HA -0.273 3.897 4.170 0.000 0.000 0.245 221 I C 2.682 178.738 176.117 -0.100 0.000 1.102 221 I CA 0.715 62.026 61.300 0.018 0.000 1.385 221 I CB -0.279 37.750 38.000 0.049 0.000 1.064 221 I HN 0.202 nan 8.210 nan 0.000 0.414 222 C N 0.367 119.510 119.300 -0.261 0.000 2.429 222 C HA -0.143 4.317 4.460 0.000 0.000 0.277 222 C C 2.975 177.860 174.990 -0.175 0.000 1.262 222 C CA 0.680 59.528 59.018 -0.283 0.000 1.733 222 C CB -1.126 26.318 27.740 -0.494 0.000 2.010 222 C HN 0.443 nan 8.230 nan 0.000 0.483 223 R N 0.179 120.554 120.500 -0.208 0.000 2.081 223 R HA -0.136 4.205 4.340 0.000 0.000 0.235 223 R C 2.046 178.220 176.300 -0.211 0.000 1.131 223 R CA 1.894 57.853 56.100 -0.235 0.000 0.960 223 R CB -0.906 29.182 30.300 -0.354 0.000 0.856 223 R HN 0.774 nan 8.270 nan 0.000 0.436 224 H N -0.061 118.821 119.070 -0.313 0.000 2.290 224 H HA -0.062 4.494 4.556 0.000 0.000 0.298 224 H C 2.251 177.605 175.328 0.044 0.000 1.087 224 H CA 2.258 58.220 56.048 -0.144 0.000 1.291 224 H CB -0.080 29.648 29.762 -0.057 0.000 1.369 224 H HN 0.143 nan 8.280 nan 0.000 0.492 225 I N -0.004 120.691 120.570 0.210 0.000 2.163 225 I HA -0.269 3.902 4.170 0.000 0.000 0.243 225 I C 2.430 178.615 176.117 0.113 0.000 1.085 225 I CA 0.931 62.313 61.300 0.137 0.000 1.347 225 I CB -0.245 37.768 38.000 0.022 0.000 1.044 225 I HN 0.329 nan 8.210 nan 0.000 0.408 226 L N 0.307 121.568 121.223 0.063 0.000 1.994 226 L HA -0.279 4.061 4.340 0.000 0.000 0.208 226 L C 2.513 179.432 176.870 0.082 0.000 1.071 226 L CA 1.961 56.829 54.840 0.046 0.000 0.745 226 L CB -1.069 40.995 42.059 0.008 0.000 0.892 226 L HN 0.272 nan 8.230 nan 0.000 0.431 227 Y N 0.245 120.562 120.300 0.028 0.000 2.097 227 Y HA -0.252 4.298 4.550 0.000 0.000 0.282 227 Y C 2.382 178.345 175.900 0.105 0.000 1.152 227 Y CA 2.277 60.428 58.100 0.085 0.000 1.136 227 Y CB -0.681 37.890 38.460 0.186 0.000 0.975 227 Y HN 0.254 nan 8.280 nan 0.000 0.498 228 A N -0.635 122.290 122.820 0.175 0.000 1.902 228 A HA -0.183 4.137 4.320 0.000 0.000 0.217 228 A C 2.216 179.825 177.584 0.041 0.000 1.181 228 A CA 2.308 54.417 52.037 0.119 0.000 0.623 228 A CB -1.361 17.823 19.000 0.307 0.000 0.818 228 A HN 0.543 nan 8.150 nan 0.000 0.443 229 T N -0.163 114.426 114.554 0.059 0.000 2.777 229 T HA -0.125 4.225 4.350 0.000 0.000 0.266 229 T C 1.136 175.832 174.700 -0.007 0.000 1.040 229 T CA 1.298 63.428 62.100 0.050 0.000 1.141 229 T CB -0.443 68.458 68.868 0.053 0.000 0.868 229 T HN 0.665 nan 8.240 nan 0.000 0.444 230 N N 1.524 120.190 118.700 -0.057 0.000 2.708 230 N HA -0.269 4.471 4.740 0.000 0.000 0.251 230 N C 0.007 175.487 175.510 -0.051 0.000 1.017 230 N CA 1.001 53.997 53.050 -0.090 0.000 0.742 230 N CB -1.889 36.496 38.487 -0.170 0.000 0.943 230 N HN 0.459 nan 8.380 nan 0.000 0.539 231 N N -1.529 117.155 118.700 -0.028 0.000 2.725 231 N HA -0.200 4.540 4.740 0.000 0.000 0.249 231 N C 0.960 176.453 175.510 -0.028 0.000 1.103 231 N CA 2.501 55.536 53.050 -0.024 0.000 0.707 231 N CB -1.252 37.218 38.487 -0.027 0.000 1.043 231 N HN 1.315 nan 8.380 nan 0.000 0.553 232 G N -1.062 107.728 108.800 -0.017 0.000 2.259 232 G HA2 -0.315 3.645 3.960 0.000 0.000 0.217 232 G HA3 -0.315 3.645 3.960 0.000 0.000 0.217 232 G C 0.014 174.905 174.900 -0.015 0.000 1.001 232 G CA 0.163 45.254 45.100 -0.014 0.000 0.627 232 G HN 0.689 nan 8.290 nan 0.000 0.501 233 N N 2.124 120.802 118.700 -0.037 0.000 2.968 233 N HA 0.324 5.064 4.740 0.000 0.000 0.271 233 N C 0.823 176.308 175.510 -0.041 0.000 1.174 233 N CA -0.577 52.436 53.050 -0.061 0.000 1.096 233 N CB -0.431 38.014 38.487 -0.070 0.000 1.403 233 N HN 0.320 nan 8.380 nan 0.000 0.522 234 I N 1.963 122.539 120.570 0.010 0.000 2.826 234 I HA -0.106 4.064 4.170 0.000 0.000 0.295 234 I C 0.832 177.054 176.117 0.174 0.000 1.213 234 I CA 0.784 62.156 61.300 0.119 0.000 1.436 234 I CB -0.345 37.813 38.000 0.264 0.000 1.348 234 I HN 0.284 nan 8.210 nan 0.000 0.570 235 R N 3.932 124.509 120.500 0.128 0.000 2.561 235 R HA 0.400 4.740 4.340 0.000 0.000 0.297 235 R C -0.431 175.991 176.300 0.204 0.000 0.969 235 R CA -0.686 55.498 56.100 0.140 0.000 0.879 235 R CB 1.923 32.146 30.300 -0.128 0.000 1.178 235 R HN 0.539 nan 8.270 nan 0.000 0.445 236 S N 1.502 117.326 115.700 0.207 0.000 2.531 236 S HA 0.491 4.961 4.470 0.000 0.000 0.279 236 S C -0.316 174.325 174.600 0.069 0.000 1.305 236 S CA -0.282 57.956 58.200 0.064 0.000 1.058 236 S CB 1.230 64.387 63.200 -0.072 0.000 0.899 236 S HN 0.693 nan 8.310 nan 0.000 0.493 237 A N 2.956 125.783 122.820 0.012 0.000 2.606 237 A HA 0.846 5.166 4.320 0.000 0.000 0.293 237 A C -1.264 176.288 177.584 -0.053 0.000 1.082 237 A CA -0.676 51.287 52.037 -0.122 0.000 0.685 237 A CB 1.225 20.111 19.000 -0.189 0.000 1.284 237 A HN 0.800 nan 8.150 nan 0.000 0.408 238 I N 0.340 120.853 120.570 -0.096 0.000 2.722 238 I HA 0.617 4.787 4.170 0.000 0.000 0.295 238 I C -1.191 174.997 176.117 0.118 0.000 1.161 238 I CA -0.164 61.225 61.300 0.147 0.000 1.032 238 I CB 2.431 40.463 38.000 0.053 0.000 1.244 238 I HN 0.597 nan 8.210 nan 0.000 0.421 239 T N 6.315 121.006 114.554 0.229 0.000 2.791 239 T HA 0.414 4.764 4.350 0.000 0.000 0.288 239 T C -0.631 173.935 174.700 -0.222 0.000 0.999 239 T CA -0.350 61.757 62.100 0.012 0.000 0.952 239 T CB 1.419 70.287 68.868 0.001 0.000 0.938 239 T HN 0.261 nan 8.240 nan 0.000 0.444 240 V N 5.219 124.945 119.914 -0.313 0.000 2.348 240 V HA 0.429 4.549 4.120 0.000 0.000 0.270 240 V C -0.210 175.657 176.094 -0.377 0.000 1.037 240 V CA -0.675 61.445 62.300 -0.300 0.000 0.872 240 V CB -0.214 31.392 31.823 -0.361 0.000 1.002 240 V HN 0.753 nan 8.190 nan 0.000 0.464 241 F N 5.275 125.200 119.950 -0.043 0.000 2.362 241 F HA 0.454 4.981 4.527 0.000 0.000 0.311 241 F C -1.762 173.986 175.800 -0.088 0.000 1.161 241 F CA -2.366 55.546 58.000 -0.146 0.000 1.085 241 F CB 0.588 39.519 39.000 -0.115 0.000 1.311 241 F HN 0.302 nan 8.300 nan 0.000 0.524 242 P HA -0.033 nan 4.420 nan 0.000 0.262 242 P C -1.133 176.140 177.300 -0.046 0.000 1.182 242 P CA -0.039 62.960 63.100 -0.168 0.000 0.761 242 P CB 0.225 31.634 31.700 -0.485 0.000 0.795 243 Q N 3.270 122.962 119.800 -0.180 0.000 2.524 243 Q HA 0.073 4.413 4.340 0.000 0.000 0.246 243 Q C 0.173 176.013 176.000 -0.267 0.000 1.063 243 Q CA -0.474 54.954 55.803 -0.624 0.000 0.945 243 Q CB 0.660 28.753 28.738 -1.076 0.000 1.292 243 Q HN 0.342 nan 8.270 nan 0.000 0.518 244 R N 0.927 121.273 120.500 -0.257 0.000 2.489 244 R HA 0.027 4.367 4.340 0.000 0.000 0.287 244 R C 0.202 176.455 176.300 -0.078 0.000 1.053 244 R CA 0.682 56.732 56.100 -0.084 0.000 1.036 244 R CB 0.604 30.863 30.300 -0.068 0.000 0.966 244 R HN 0.934 nan 8.270 nan 0.000 0.432 245 S N 2.459 118.162 115.700 0.005 0.000 2.612 245 S HA -0.043 4.427 4.470 0.000 0.000 0.193 245 S C 0.819 175.439 174.600 0.034 0.000 0.898 245 S CA 0.362 58.568 58.200 0.010 0.000 0.872 245 S CB -0.033 63.184 63.200 0.028 0.000 0.843 245 S HN 0.833 nan 8.310 nan 0.000 0.611 246 D N -0.233 120.220 120.400 0.089 0.000 2.433 246 D HA 0.305 4.945 4.640 0.000 0.000 0.211 246 D C 1.357 177.693 176.300 0.060 0.000 1.114 246 D CA 0.681 54.729 54.000 0.080 0.000 0.837 246 D CB 0.040 40.909 40.800 0.115 0.000 0.984 246 D HN 0.830 nan 8.370 nan 0.000 0.505 247 G N 1.121 109.958 108.800 0.063 0.000 2.195 247 G HA2 -0.343 3.617 3.960 0.000 0.000 0.246 247 G HA3 -0.343 3.617 3.960 0.000 0.000 0.246 247 G C 1.049 175.950 174.900 0.002 0.000 0.984 247 G CA 0.439 45.556 45.100 0.027 0.000 0.633 247 G HN 0.442 nan 8.290 nan 0.000 0.525 248 K N -0.274 120.117 120.400 -0.016 0.000 2.354 248 K HA 0.205 4.526 4.320 0.000 0.000 0.194 248 K C 0.689 177.069 176.600 -0.366 0.000 1.038 248 K CA 0.257 56.430 56.287 -0.190 0.000 1.052 248 K CB 0.230 32.571 32.500 -0.265 0.000 0.861 248 K HN 0.554 nan 8.250 nan 0.000 0.535 249 H N 0.977 120.065 119.070 0.030 0.000 2.481 249 H HA 0.185 4.741 4.556 0.000 0.000 0.273 249 H C -0.789 174.579 175.328 0.068 0.000 1.145 249 H CA -0.546 55.522 56.048 0.034 0.000 0.964 249 H CB 0.241 30.040 29.762 0.062 0.000 1.722 249 H HN 0.031 nan 8.280 nan 0.000 0.573 250 D N 0.834 121.299 120.400 0.109 0.000 2.424 250 D HA 0.036 4.676 4.640 0.000 0.000 0.244 250 D C 0.034 176.395 176.300 0.101 0.000 1.134 250 D CA 0.399 54.483 54.000 0.140 0.000 0.881 250 D CB 0.624 41.473 40.800 0.083 0.000 1.191 250 D HN 0.073 nan 8.370 nan 0.000 0.445 251 F N 2.647 122.619 119.950 0.036 0.000 2.411 251 F HA 0.373 4.900 4.527 0.000 0.000 0.350 251 F C 0.910 176.706 175.800 -0.005 0.000 1.114 251 F CA -0.209 57.781 58.000 -0.016 0.000 1.135 251 F CB 0.793 39.774 39.000 -0.032 0.000 1.120 251 F HN -0.121 nan 8.300 nan 0.000 0.495 252 R N 3.744 124.304 120.500 0.100 0.000 2.626 252 R HA 0.486 4.826 4.340 0.000 0.000 0.274 252 R C -1.829 174.582 176.300 0.184 0.000 1.031 252 R CA -1.109 55.079 56.100 0.146 0.000 0.898 252 R CB 2.187 32.592 30.300 0.174 0.000 1.222 252 R HN 0.493 nan 8.270 nan 0.000 0.455 253 L N 1.906 123.234 121.223 0.174 0.000 2.265 253 L HA 0.350 4.690 4.340 0.000 0.000 0.289 253 L C 0.625 177.701 176.870 0.343 0.000 1.033 253 L CA -0.175 54.783 54.840 0.196 0.000 0.814 253 L CB 0.836 42.945 42.059 0.084 0.000 1.203 253 L HN 0.579 nan 8.230 nan 0.000 0.423 254 W N 0.724 122.095 121.300 0.118 0.000 2.519 254 W HA 0.000 4.660 4.660 0.000 0.000 0.266 254 W C 0.708 177.402 176.519 0.291 0.000 1.253 254 W CA -0.392 57.131 57.345 0.297 0.000 1.274 254 W CB -0.916 28.798 29.460 0.423 0.000 1.114 254 W HN 0.477 nan 8.180 nan 0.000 0.596 255 N N -0.481 118.387 118.700 0.279 0.000 2.508 255 N HA 0.032 4.772 4.740 0.000 0.000 0.264 255 N C 1.099 176.502 175.510 -0.179 0.000 1.216 255 N CA 0.395 53.329 53.050 -0.193 0.000 0.943 255 N CB 0.849 39.271 38.487 -0.108 0.000 1.113 255 N HN -0.294 nan 8.380 nan 0.000 0.447 256 S N 0.274 115.795 115.700 -0.298 0.000 2.395 256 S HA -0.001 4.469 4.470 0.000 0.000 0.225 256 S C 0.138 174.647 174.600 -0.152 0.000 1.027 256 S CA 1.029 59.135 58.200 -0.157 0.000 0.965 256 S CB 0.058 63.185 63.200 -0.122 0.000 0.812 256 S HN 0.557 nan 8.310 nan 0.000 0.482 257 Q N -0.965 118.724 119.800 -0.185 0.000 2.451 257 Q HA 0.517 4.857 4.340 0.000 0.000 0.281 257 Q C 0.560 176.436 176.000 -0.208 0.000 1.099 257 Q CA -0.419 55.277 55.803 -0.179 0.000 0.806 257 Q CB 1.224 29.892 28.738 -0.116 0.000 1.419 257 Q HN 0.001 nan 8.270 nan 0.000 0.427 258 L N 0.167 121.261 121.223 -0.216 0.000 2.027 258 L HA 0.054 4.394 4.340 0.000 0.000 0.206 258 L C 0.307 177.026 176.870 -0.253 0.000 1.074 258 L CA 1.038 55.757 54.840 -0.202 0.000 0.745 258 L CB 0.072 42.008 42.059 -0.205 0.000 0.898 258 L HN 0.507 nan 8.230 nan 0.000 0.433 259 I N -0.148 120.188 120.570 -0.390 0.000 2.406 259 I HA 0.462 4.632 4.170 0.000 0.000 0.290 259 I C -0.370 175.146 176.117 -1.002 0.000 0.999 259 I CA -0.330 60.560 61.300 -0.683 0.000 1.124 259 I CB 1.507 38.995 38.000 -0.853 0.000 1.289 259 I HN 0.071 nan 8.210 nan 0.000 0.441 260 R N 4.406 124.421 120.500 -0.808 0.000 2.634 260 R HA 0.494 4.834 4.340 0.000 0.000 0.263 260 R C -1.952 174.149 176.300 -0.331 0.000 1.060 260 R CA -0.655 55.121 56.100 -0.541 0.000 0.898 260 R CB 1.189 31.349 30.300 -0.232 0.000 1.253 260 R HN 0.286 nan 8.270 nan 0.000 0.461 261 Y N 1.298 121.622 120.300 0.040 0.000 2.320 261 Y HA 0.658 5.208 4.550 0.000 0.000 0.324 261 Y C 0.885 176.828 175.900 0.072 0.000 1.190 261 Y CA -0.353 57.816 58.100 0.116 0.000 1.215 261 Y CB 1.456 40.092 38.460 0.294 0.000 1.221 261 Y HN 0.751 nan 8.280 nan 0.000 0.486 262 A N 1.325 124.270 122.820 0.207 0.000 2.346 262 A HA 0.650 4.970 4.320 0.000 0.000 0.252 262 A C 0.445 177.897 177.584 -0.221 0.000 1.089 262 A CA 0.228 52.212 52.037 -0.088 0.000 0.797 262 A CB -0.165 18.719 19.000 -0.194 0.000 1.047 262 A HN 0.909 nan 8.150 nan 0.000 0.494 263 G N -0.542 108.009 108.800 -0.415 0.000 2.643 263 G HA2 0.582 4.542 3.960 0.000 0.000 0.305 263 G HA3 0.582 4.542 3.960 0.000 0.000 0.305 263 G C -1.384 173.261 174.900 -0.427 0.000 1.387 263 G CA -0.262 44.656 45.100 -0.303 0.000 0.982 263 G HN 0.529 nan 8.290 nan 0.000 0.501 264 Y N 0.701 121.037 120.300 0.061 0.000 2.425 264 Y HA 0.420 4.970 4.550 0.000 0.000 0.344 264 Y C 0.251 176.202 175.900 0.085 0.000 0.969 264 Y CA -1.053 57.099 58.100 0.087 0.000 1.052 264 Y CB 2.650 41.195 38.460 0.142 0.000 1.215 264 Y HN 0.273 nan 8.280 nan 0.000 0.451 265 Q N 4.318 124.266 119.800 0.246 0.000 2.441 265 Q HA 0.267 4.607 4.340 0.000 0.000 0.234 265 Q C -0.560 175.537 176.000 0.162 0.000 1.078 265 Q CA -0.355 55.540 55.803 0.153 0.000 0.907 265 Q CB 0.566 29.368 28.738 0.107 0.000 1.269 265 Q HN 0.662 nan 8.270 nan 0.000 0.502 266 M N 3.771 123.451 119.600 0.133 0.000 2.232 266 M HA 0.088 4.568 4.480 0.000 0.000 0.321 266 M C -1.243 175.072 176.300 0.023 0.000 1.101 266 M CA -1.988 53.355 55.300 0.071 0.000 1.181 266 M CB -0.710 31.913 32.600 0.037 0.000 1.432 266 M HN 0.172 nan 8.290 nan 0.000 0.457 267 P HA -0.161 nan 4.420 nan 0.000 0.216 267 P C 0.454 177.742 177.300 -0.020 0.000 1.150 267 P CA 1.343 64.424 63.100 -0.032 0.000 0.837 267 P CB -0.029 31.628 31.700 -0.071 0.000 0.786 268 D N -1.990 118.397 120.400 -0.021 0.000 2.363 268 D HA 0.055 4.695 4.640 0.000 0.000 0.226 268 D C 1.462 177.761 176.300 -0.002 0.000 1.020 268 D CA 0.789 54.781 54.000 -0.014 0.000 0.892 268 D CB -0.921 39.868 40.800 -0.019 0.000 0.900 268 D HN 0.259 nan 8.370 nan 0.000 0.531 269 G N -0.069 108.736 108.800 0.008 0.000 2.241 269 G HA2 -0.284 3.676 3.960 0.000 0.000 0.244 269 G HA3 -0.284 3.676 3.960 0.000 0.000 0.244 269 G C 0.580 175.494 174.900 0.023 0.000 0.998 269 G CA 0.419 45.529 45.100 0.016 0.000 0.621 269 G HN 0.818 nan 8.290 nan 0.000 0.519 270 T N 0.247 114.814 114.554 0.021 0.000 2.898 270 T HA 0.624 4.974 4.350 0.000 0.000 0.301 270 T C 0.477 175.202 174.700 0.042 0.000 1.049 270 T CA -0.440 61.674 62.100 0.024 0.000 1.095 270 T CB 1.568 70.446 68.868 0.017 0.000 0.976 270 T HN 0.409 nan 8.240 nan 0.000 0.539 271 I N 2.043 122.635 120.570 0.036 0.000 2.353 271 I HA 0.424 4.594 4.170 0.000 0.000 0.293 271 I C 0.564 176.707 176.117 0.042 0.000 0.992 271 I CA -0.514 60.813 61.300 0.045 0.000 1.268 271 I CB 1.280 39.290 38.000 0.016 0.000 1.387 271 I HN 0.791 nan 8.210 nan 0.000 0.478 272 R N 3.585 124.145 120.500 0.099 0.000 2.562 272 R HA 0.632 4.972 4.340 0.000 0.000 0.298 272 R C 0.241 176.601 176.300 0.099 0.000 0.961 272 R CA 0.216 56.380 56.100 0.106 0.000 0.881 272 R CB 1.655 32.061 30.300 0.177 0.000 1.159 272 R HN 0.913 nan 8.270 nan 0.000 0.450 273 G N 2.697 111.476 108.800 -0.035 0.000 2.484 273 G HA2 -0.258 3.702 3.960 0.000 0.000 0.225 273 G HA3 -0.258 3.702 3.960 0.000 0.000 0.225 273 G C -1.156 173.510 174.900 -0.388 0.000 1.250 273 G CA -0.051 44.990 45.100 -0.099 0.000 0.926 273 G HN 0.641 nan 8.290 nan 0.000 0.581 274 D N 1.766 122.049 120.400 -0.196 0.000 2.393 274 D HA 0.571 5.211 4.640 0.000 0.000 0.232 274 D C 1.551 177.793 176.300 -0.097 0.000 1.192 274 D CA 0.799 54.684 54.000 -0.191 0.000 0.882 274 D CB 0.706 41.663 40.800 0.260 0.000 1.038 274 D HN 0.939 nan 8.370 nan 0.000 0.499 275 A N 3.733 126.471 122.820 -0.138 0.000 2.084 275 A HA -0.138 4.182 4.320 0.000 0.000 0.221 275 A C 2.009 179.597 177.584 0.007 0.000 1.161 275 A CA 1.761 53.768 52.037 -0.049 0.000 0.653 275 A CB -0.201 18.774 19.000 -0.041 0.000 0.802 275 A HN 0.601 nan 8.150 nan 0.000 0.457 276 A N -0.591 122.254 122.820 0.041 0.000 2.119 276 A HA 0.072 4.392 4.320 0.000 0.000 0.217 276 A C 1.988 179.617 177.584 0.074 0.000 1.153 276 A CA 1.796 53.876 52.037 0.072 0.000 0.692 276 A CB -0.755 18.310 19.000 0.108 0.000 0.799 276 A HN 0.787 nan 8.150 nan 0.000 0.458 277 T N -3.003 111.589 114.554 0.064 0.000 3.176 277 T HA 0.372 4.722 4.350 0.000 0.000 0.263 277 T C 1.361 176.080 174.700 0.031 0.000 1.021 277 T CA -0.043 62.097 62.100 0.066 0.000 0.905 277 T CB -0.403 68.510 68.868 0.075 0.000 1.057 277 T HN 0.230 nan 8.240 nan 0.000 0.558 278 L N 0.707 121.935 121.223 0.009 0.000 1.990 278 L HA -0.132 4.208 4.340 0.000 0.000 0.213 278 L C 2.928 179.792 176.870 -0.011 0.000 1.072 278 L CA 2.208 57.041 54.840 -0.011 0.000 0.755 278 L CB -0.460 41.605 42.059 0.009 0.000 0.889 278 L HN 0.426 nan 8.230 nan 0.000 0.432 279 E N -0.359 119.843 120.200 0.004 0.000 2.077 279 E HA -0.274 4.076 4.350 0.000 0.000 0.193 279 E C 2.128 178.664 176.600 -0.108 0.000 0.989 279 E CA 1.328 57.705 56.400 -0.040 0.000 0.800 279 E CB -0.118 29.572 29.700 -0.017 0.000 0.746 279 E HN 0.372 nan 8.360 nan 0.000 0.452 280 F N 0.927 120.749 119.950 -0.213 0.000 2.234 280 F HA -0.119 4.408 4.527 0.000 0.000 0.299 280 F C 2.228 177.908 175.800 -0.201 0.000 1.087 280 F CA 1.613 59.448 58.000 -0.275 0.000 1.340 280 F CB -0.281 38.592 39.000 -0.212 0.000 1.031 280 F HN -0.026 nan 8.300 nan 0.000 0.500 281 T N -0.347 114.159 114.554 -0.080 0.000 2.746 281 T HA -0.243 4.107 4.350 0.000 0.000 0.267 281 T C 1.749 176.387 174.700 -0.103 0.000 1.039 281 T CA 1.578 63.597 62.100 -0.135 0.000 1.142 281 T CB -0.309 68.464 68.868 -0.157 0.000 0.866 281 T HN 0.227 nan 8.240 nan 0.000 0.444 282 Q N 0.782 120.524 119.800 -0.096 0.000 2.124 282 Q HA -0.037 4.303 4.340 0.000 0.000 0.202 282 Q C 2.100 178.024 176.000 -0.125 0.000 0.977 282 Q CA 1.121 56.888 55.803 -0.060 0.000 0.850 282 Q CB -0.710 27.999 28.738 -0.049 0.000 0.901 282 Q HN 0.422 nan 8.270 nan 0.000 0.429 283 L N -0.379 120.687 121.223 -0.262 0.000 2.046 283 L HA -0.163 4.177 4.340 0.000 0.000 0.208 283 L C 2.069 178.765 176.870 -0.289 0.000 1.077 283 L CA 1.800 56.454 54.840 -0.309 0.000 0.747 283 L CB -0.961 40.796 42.059 -0.503 0.000 0.896 283 L HN 0.391 nan 8.230 nan 0.000 0.432 284 C N -0.471 118.596 119.300 -0.387 0.000 2.429 284 C HA -0.119 4.341 4.460 0.000 0.000 0.277 284 C C 2.728 177.756 174.990 0.062 0.000 1.262 284 C CA 0.825 59.693 59.018 -0.249 0.000 1.733 284 C CB -0.916 26.572 27.740 -0.420 0.000 2.010 284 C HN 0.582 nan 8.230 nan 0.000 0.483 285 I N 1.184 121.836 120.570 0.136 0.000 2.226 285 I HA -0.190 3.980 4.170 0.000 0.000 0.245 285 I C 1.963 178.093 176.117 0.022 0.000 1.100 285 I CA 1.552 62.932 61.300 0.134 0.000 1.374 285 I CB -0.598 37.464 38.000 0.104 0.000 1.057 285 I HN 0.307 nan 8.210 nan 0.000 0.413 286 D N 0.751 121.134 120.400 -0.028 0.000 2.264 286 D HA -0.076 4.564 4.640 0.000 0.000 0.208 286 D C 1.937 178.190 176.300 -0.079 0.000 0.966 286 D CA 1.070 55.032 54.000 -0.064 0.000 0.864 286 D CB -0.056 40.690 40.800 -0.090 0.000 0.933 286 D HN 0.334 nan 8.370 nan 0.000 0.499 287 L N -0.974 120.211 121.223 -0.064 0.000 2.611 287 L HA 0.256 4.596 4.340 0.000 0.000 0.229 287 L C 1.391 178.232 176.870 -0.048 0.000 1.137 287 L CA 0.252 55.051 54.840 -0.068 0.000 0.901 287 L CB 0.214 42.224 42.059 -0.081 0.000 1.098 287 L HN 0.127 nan 8.230 nan 0.000 0.456 288 G N -1.178 107.610 108.800 -0.020 0.000 2.184 288 G HA2 -0.289 3.671 3.960 0.000 0.000 0.206 288 G HA3 -0.289 3.671 3.960 0.000 0.000 0.206 288 G C -0.160 174.757 174.900 0.028 0.000 0.995 288 G CA -0.427 44.660 45.100 -0.020 0.000 0.651 288 G HN 0.280 nan 8.290 nan 0.000 0.511 289 W N 3.327 124.558 121.300 -0.115 0.000 2.190 289 W HA 0.638 5.298 4.660 0.000 0.000 0.330 289 W C 0.097 176.573 176.519 -0.072 0.000 1.299 289 W CA -0.612 56.674 57.345 -0.097 0.000 1.215 289 W CB 0.716 30.116 29.460 -0.100 0.000 1.147 289 W HN -0.086 nan 8.180 nan 0.000 0.563 290 K N 8.344 128.250 120.400 -0.823 0.000 2.267 290 K HA 0.235 4.555 4.320 0.000 0.000 0.282 290 K C -2.323 173.468 176.600 -1.348 0.000 1.078 290 K CA -2.025 53.788 56.287 -0.791 0.000 0.903 290 K CB 0.339 32.556 32.500 -0.473 0.000 1.111 290 K HN 0.335 nan 8.250 nan 0.000 0.475 291 P HA 0.202 nan 4.420 nan 0.000 0.271 291 P C -0.134 176.676 177.300 -0.816 0.000 1.220 291 P CA -0.171 62.309 63.100 -1.033 0.000 0.768 291 P CB 0.834 32.030 31.700 -0.839 0.000 0.848 292 R N 1.764 121.904 120.500 -0.601 0.000 2.334 292 R HA 0.112 4.452 4.340 0.000 0.000 0.212 292 R C 0.004 176.151 176.300 -0.256 0.000 0.897 292 R CA -0.192 55.739 56.100 -0.282 0.000 1.056 292 R CB -0.399 29.858 30.300 -0.072 0.000 1.046 292 R HN 0.431 nan 8.270 nan 0.000 0.513 293 Y N -0.482 119.356 120.300 -0.770 0.000 3.305 293 Y HA -0.273 4.277 4.550 0.000 0.000 0.212 293 Y C 0.732 176.415 175.900 -0.362 0.000 1.248 293 Y CA 0.552 58.067 58.100 -0.975 0.000 1.359 293 Y CB -1.958 36.149 38.460 -0.588 0.000 1.407 293 Y HN 0.223 nan 8.280 nan 0.000 0.572 294 G N -0.565 108.239 108.800 0.007 0.000 2.552 294 G HA2 0.551 4.511 3.960 0.000 0.000 0.324 294 G HA3 0.551 4.511 3.960 0.000 0.000 0.324 294 G C 0.482 175.474 174.900 0.153 0.000 1.217 294 G CA -0.852 44.313 45.100 0.109 0.000 0.989 294 G HN 0.259 nan 8.290 nan 0.000 0.490 295 R N -1.329 119.153 120.500 -0.030 0.000 2.153 295 R HA 0.143 4.483 4.340 0.000 0.000 0.218 295 R C -0.005 175.933 176.300 -0.603 0.000 1.072 295 R CA 0.842 56.755 56.100 -0.310 0.000 0.990 295 R CB -0.042 29.943 30.300 -0.524 0.000 0.889 295 R HN 0.362 nan 8.270 nan 0.000 0.452 296 F N 0.576 120.501 119.950 -0.040 0.000 2.577 296 F HA 0.269 4.796 4.527 0.000 0.000 0.342 296 F C -1.016 174.726 175.800 -0.096 0.000 1.479 296 F CA -1.340 56.371 58.000 -0.482 0.000 1.110 296 F CB 0.690 39.230 39.000 -0.766 0.000 1.306 296 F HN -0.289 nan 8.300 nan 0.000 0.554 297 D N 1.513 122.102 120.400 0.314 0.000 2.316 297 D HA 0.220 4.860 4.640 0.000 0.000 0.245 297 D C 0.159 176.745 176.300 0.476 0.000 1.171 297 D CA 0.046 54.298 54.000 0.420 0.000 0.856 297 D CB 2.218 43.330 40.800 0.520 0.000 1.090 297 D HN -0.046 nan 8.370 nan 0.000 0.476 298 V N 3.937 124.099 119.914 0.414 0.000 2.485 298 V HA -0.006 4.114 4.120 0.000 0.000 0.287 298 V C 0.991 177.134 176.094 0.081 0.000 1.022 298 V CA -0.283 62.150 62.300 0.223 0.000 1.067 298 V CB 0.122 32.024 31.823 0.131 0.000 0.967 298 V HN 0.343 nan 8.190 nan 0.000 0.479 299 L N 8.568 129.742 121.223 -0.082 0.000 2.461 299 L HA 0.288 4.628 4.340 0.000 0.000 0.272 299 L C -1.661 175.036 176.870 -0.288 0.000 1.197 299 L CA -1.242 53.411 54.840 -0.312 0.000 0.836 299 L CB 0.582 42.531 42.059 -0.182 0.000 1.105 299 L HN 0.480 nan 8.230 nan 0.000 0.477 300 P HA 0.179 nan 4.420 nan 0.000 0.279 300 P C -0.972 176.275 177.300 -0.088 0.000 1.252 300 P CA -0.552 62.385 63.100 -0.273 0.000 0.811 300 P CB 0.945 32.362 31.700 -0.473 0.000 1.035 301 L N 1.186 122.435 121.223 0.043 0.000 2.360 301 L HA 0.221 4.561 4.340 0.000 0.000 0.276 301 L C 0.220 177.164 176.870 0.123 0.000 1.121 301 L CA -0.643 54.268 54.840 0.118 0.000 0.845 301 L CB 0.811 42.984 42.059 0.191 0.000 1.143 301 L HN 0.096 nan 8.230 nan 0.000 0.452 302 V N 6.047 126.046 119.914 0.143 0.000 2.294 302 V HA 0.334 4.454 4.120 0.000 0.000 0.272 302 V C 0.104 176.194 176.094 -0.007 0.000 1.027 302 V CA -0.321 61.999 62.300 0.034 0.000 0.823 302 V CB 1.017 32.894 31.823 0.090 0.000 1.030 302 V HN 0.494 nan 8.190 nan 0.000 0.457 303 L N 4.765 125.967 121.223 -0.034 0.000 2.296 303 L HA 0.607 4.947 4.340 0.000 0.000 0.286 303 L C -0.055 176.687 176.870 -0.213 0.000 1.023 303 L CA -0.367 54.428 54.840 -0.074 0.000 0.812 303 L CB 1.702 43.746 42.059 -0.025 0.000 1.223 303 L HN 0.599 nan 8.230 nan 0.000 0.421 304 Q N 3.003 122.669 119.800 -0.224 0.000 2.347 304 Q HA 0.689 5.029 4.340 0.000 0.000 0.262 304 Q C -1.214 174.579 176.000 -0.344 0.000 0.980 304 Q CA -0.583 55.054 55.803 -0.276 0.000 0.867 304 Q CB 1.883 30.562 28.738 -0.098 0.000 1.242 304 Q HN 0.777 nan 8.270 nan 0.000 0.453 305 A N 3.941 126.498 122.820 -0.438 0.000 2.331 305 A HA 0.409 4.729 4.320 0.000 0.000 0.320 305 A C -0.252 176.866 177.584 -0.777 0.000 1.138 305 A CA -0.272 51.259 52.037 -0.844 0.000 0.790 305 A CB 0.982 19.694 19.000 -0.480 0.000 1.206 305 A HN 1.031 nan 8.150 nan 0.000 0.470 306 D N 1.508 121.168 120.400 -1.232 0.000 2.751 306 D HA -0.141 4.499 4.640 0.000 0.000 0.233 306 D C 1.226 177.452 176.300 -0.124 0.000 1.149 306 D CA 2.735 56.507 54.000 -0.380 0.000 0.682 306 D CB -1.056 39.683 40.800 -0.103 0.000 1.068 306 D HN 2.116 nan 8.370 nan 0.000 0.429 307 G N -1.493 107.201 108.800 -0.177 0.000 2.189 307 G HA2 -0.372 3.589 3.960 0.000 0.000 0.267 307 G HA3 -0.372 3.589 3.960 0.000 0.000 0.267 307 G C 0.315 175.183 174.900 -0.054 0.000 0.975 307 G CA 0.667 45.711 45.100 -0.092 0.000 0.644 307 G HN 0.538 nan 8.290 nan 0.000 0.537 308 Q N 0.987 120.725 119.800 -0.103 0.000 2.382 308 Q HA 0.312 4.653 4.340 0.000 0.000 0.229 308 Q C 0.259 176.190 176.000 -0.114 0.000 1.006 308 Q CA -0.368 55.399 55.803 -0.060 0.000 0.916 308 Q CB 0.340 29.034 28.738 -0.074 0.000 1.235 308 Q HN 0.402 nan 8.270 nan 0.000 0.512 309 D N 2.658 123.026 120.400 -0.054 0.000 2.506 309 D HA 0.045 4.685 4.640 0.000 0.000 0.234 309 D C -2.011 174.068 176.300 -0.367 0.000 1.143 309 D CA -0.616 53.267 54.000 -0.195 0.000 0.871 309 D CB -0.029 40.832 40.800 0.102 0.000 1.190 309 D HN 0.214 nan 8.370 nan 0.000 0.459 310 P HA 0.079 nan 4.420 nan 0.000 0.268 310 P C -0.625 176.452 177.300 -0.372 0.000 1.205 310 P CA -0.003 62.666 63.100 -0.718 0.000 0.771 310 P CB 0.908 31.704 31.700 -1.507 0.000 0.858 311 E N 0.825 120.883 120.200 -0.235 0.000 2.212 311 E HA 0.383 4.733 4.350 0.000 0.000 0.268 311 E C -0.685 175.787 176.600 -0.213 0.000 0.902 311 E CA -1.182 55.100 56.400 -0.196 0.000 0.779 311 E CB 1.923 31.565 29.700 -0.097 0.000 1.172 311 E HN 0.164 nan 8.360 nan 0.000 0.409 312 V N 3.408 123.089 119.914 -0.387 0.000 2.465 312 V HA 0.342 4.462 4.120 0.000 0.000 0.279 312 V C -0.688 175.043 176.094 -0.606 0.000 1.045 312 V CA -0.284 61.826 62.300 -0.316 0.000 0.938 312 V CB 0.073 31.771 31.823 -0.208 0.000 0.986 312 V HN 0.524 nan 8.190 nan 0.000 0.467 313 F N 1.987 121.787 119.950 -0.251 0.000 2.579 313 F HA 0.399 4.926 4.527 0.000 0.000 0.325 313 F C 0.500 176.151 175.800 -0.247 0.000 1.162 313 F CA -0.656 57.073 58.000 -0.451 0.000 0.946 313 F CB 1.451 39.884 39.000 -0.945 0.000 1.211 313 F HN 0.433 nan 8.300 nan 0.000 0.447 314 E N 3.864 124.067 120.200 0.004 0.000 2.360 314 E HA 0.223 4.573 4.350 0.000 0.000 0.269 314 E C -0.163 176.587 176.600 0.250 0.000 1.022 314 E CA -0.115 56.367 56.400 0.137 0.000 0.887 314 E CB 1.492 31.305 29.700 0.188 0.000 0.990 314 E HN 0.519 nan 8.360 nan 0.000 0.426 315 I N 5.054 125.769 120.570 0.242 0.000 2.452 315 I HA 0.068 4.238 4.170 0.000 0.000 0.287 315 I C -2.009 174.234 176.117 0.210 0.000 1.079 315 I CA -1.907 59.553 61.300 0.268 0.000 1.387 315 I CB 0.321 38.404 38.000 0.138 0.000 1.404 315 I HN 0.128 nan 8.210 nan 0.000 0.522 316 P HA 0.048 nan 4.420 nan 0.000 0.261 316 P C -2.006 175.356 177.300 0.103 0.000 1.203 316 P CA -0.776 62.413 63.100 0.149 0.000 0.767 316 P CB 0.150 31.921 31.700 0.118 0.000 0.785 317 P HA -0.218 nan 4.420 nan 0.000 0.217 317 P C 0.817 178.156 177.300 0.065 0.000 1.148 317 P CA 1.402 64.555 63.100 0.089 0.000 0.834 317 P CB -0.006 31.750 31.700 0.093 0.000 0.783 318 D N -1.280 119.153 120.400 0.056 0.000 2.310 318 D HA -0.049 4.591 4.640 0.000 0.000 0.212 318 D C 1.674 177.992 176.300 0.030 0.000 0.965 318 D CA 0.871 54.894 54.000 0.039 0.000 0.879 318 D CB -0.071 40.749 40.800 0.033 0.000 0.921 318 D HN 0.284 nan 8.370 nan 0.000 0.510 319 L N 0.220 121.462 121.223 0.032 0.000 2.477 319 L HA 0.069 4.409 4.340 0.000 0.000 0.220 319 L C 0.550 177.436 176.870 0.026 0.000 1.106 319 L CA 0.110 54.962 54.840 0.020 0.000 0.851 319 L CB 0.612 42.674 42.059 0.004 0.000 0.994 319 L HN -0.241 nan 8.230 nan 0.000 0.462 320 V N 2.343 122.278 119.914 0.035 0.000 2.339 320 V HA 0.134 4.254 4.120 0.000 0.000 0.261 320 V C 0.026 176.149 176.094 0.048 0.000 1.058 320 V CA -0.413 61.909 62.300 0.037 0.000 0.897 320 V CB 1.116 32.962 31.823 0.039 0.000 1.052 320 V HN 0.050 nan 8.190 nan 0.000 0.480 321 L N 5.902 127.155 121.223 0.049 0.000 2.349 321 L HA 0.515 4.855 4.340 0.000 0.000 0.275 321 L C 0.108 177.002 176.870 0.041 0.000 1.115 321 L CA 0.700 55.560 54.840 0.033 0.000 0.820 321 L CB 0.759 42.831 42.059 0.021 0.000 1.135 321 L HN 0.675 nan 8.230 nan 0.000 0.445 322 E N 3.046 123.247 120.200 0.002 0.000 2.359 322 E HA 0.628 4.978 4.350 0.000 0.000 0.266 322 E C -1.536 174.990 176.600 -0.123 0.000 0.920 322 E CA -1.041 55.349 56.400 -0.016 0.000 0.788 322 E CB 2.498 32.218 29.700 0.034 0.000 1.279 322 E HN 0.371 nan 8.360 nan 0.000 0.438 323 V N 1.571 121.378 119.914 -0.180 0.000 2.444 323 V HA 0.267 4.387 4.120 0.000 0.000 0.294 323 V C -0.166 175.865 176.094 -0.105 0.000 1.022 323 V CA -0.841 61.300 62.300 -0.264 0.000 0.850 323 V CB 1.633 33.052 31.823 -0.673 0.000 0.992 323 V HN 0.846 nan 8.190 nan 0.000 0.426 324 T N 3.567 118.078 114.554 -0.071 0.000 2.832 324 T HA 0.505 4.855 4.350 0.000 0.000 0.296 324 T C -0.095 174.635 174.700 0.050 0.000 0.968 324 T CA -0.746 61.349 62.100 -0.008 0.000 1.107 324 T CB 0.737 69.605 68.868 -0.001 0.000 0.916 324 T HN 0.311 nan 8.240 nan 0.000 0.517 325 M N 3.270 122.948 119.600 0.130 0.000 2.162 325 M HA 0.401 4.881 4.480 0.000 0.000 0.356 325 M C 0.232 176.695 176.300 0.271 0.000 1.303 325 M CA 0.120 55.561 55.300 0.235 0.000 1.116 325 M CB -0.019 32.821 32.600 0.401 0.000 1.632 325 M HN 0.793 nan 8.290 nan 0.000 0.469 326 E N 0.942 121.252 120.200 0.183 0.000 2.367 326 E HA 0.388 4.738 4.350 0.000 0.000 0.273 326 E C -1.173 175.429 176.600 0.004 0.000 0.903 326 E CA -0.769 55.735 56.400 0.173 0.000 0.764 326 E CB 2.728 32.526 29.700 0.163 0.000 1.252 326 E HN 0.523 nan 8.360 nan 0.000 0.446 327 H N 2.903 121.848 119.070 -0.208 0.000 2.469 327 H HA 0.226 4.782 4.556 0.000 0.000 0.342 327 H C -1.866 173.169 175.328 -0.489 0.000 1.115 327 H CA -2.361 53.399 56.048 -0.480 0.000 1.204 327 H CB 1.848 31.255 29.762 -0.592 0.000 1.492 327 H HN 0.333 nan 8.280 nan 0.000 0.499 328 P HA -0.112 nan 4.420 nan 0.000 0.222 328 P C 0.570 177.687 177.300 -0.304 0.000 1.147 328 P CA 1.086 63.694 63.100 -0.820 0.000 0.790 328 P CB 0.780 31.879 31.700 -1.002 0.000 0.780 329 K N -1.374 118.975 120.400 -0.084 0.000 2.424 329 K HA 0.130 4.450 4.320 0.000 0.000 0.200 329 K C 0.906 177.492 176.600 -0.023 0.000 1.279 329 K CA 0.269 56.509 56.287 -0.080 0.000 0.918 329 K CB -0.188 32.201 32.500 -0.185 0.000 1.287 329 K HN 0.282 nan 8.250 nan 0.000 0.502 330 Y N 2.988 123.160 120.300 -0.212 0.000 2.613 330 Y HA 0.088 4.638 4.550 0.000 0.000 0.354 330 Y C 1.255 176.861 175.900 -0.491 0.000 1.063 330 Y CA -0.490 57.225 58.100 -0.642 0.000 1.384 330 Y CB 0.342 37.929 38.460 -1.455 0.000 1.199 330 Y HN 0.082 nan 8.280 nan 0.000 0.517 331 E N 3.669 123.830 120.200 -0.065 0.000 2.204 331 E HA -0.194 4.156 4.350 0.000 0.000 0.195 331 E C 1.524 178.171 176.600 0.078 0.000 0.990 331 E CA 1.079 57.498 56.400 0.032 0.000 0.821 331 E CB -0.041 29.715 29.700 0.095 0.000 0.750 331 E HN 0.867 nan 8.360 nan 0.000 0.477 332 W N -0.234 121.157 121.300 0.151 0.000 2.595 332 W HA -0.045 4.615 4.660 0.000 0.000 0.257 332 W C 1.416 178.001 176.519 0.109 0.000 1.267 332 W CA -0.171 57.226 57.345 0.087 0.000 1.300 332 W CB -0.884 28.581 29.460 0.008 0.000 1.120 332 W HN -0.048 nan 8.180 nan 0.000 0.618 333 F N 3.238 123.010 119.950 -0.297 0.000 2.161 333 F HA -0.308 4.219 4.527 0.000 0.000 0.300 333 F C 3.068 178.895 175.800 0.045 0.000 1.089 333 F CA 2.801 60.695 58.000 -0.176 0.000 1.282 333 F CB -0.447 38.380 39.000 -0.289 0.000 1.010 333 F HN -0.120 nan 8.300 nan 0.000 0.485 334 Q N 1.147 121.087 119.800 0.233 0.000 2.181 334 Q HA -0.258 4.082 4.340 0.000 0.000 0.205 334 Q C 1.666 177.736 176.000 0.117 0.000 0.980 334 Q CA 2.096 58.006 55.803 0.178 0.000 0.862 334 Q CB -0.581 28.244 28.738 0.145 0.000 0.905 334 Q HN 0.584 nan 8.270 nan 0.000 0.429 335 E N 0.480 120.757 120.200 0.128 0.000 2.333 335 E HA -0.104 4.246 4.350 0.000 0.000 0.198 335 E C 2.074 178.707 176.600 0.055 0.000 1.007 335 E CA 0.659 57.120 56.400 0.102 0.000 0.845 335 E CB -0.114 29.666 29.700 0.133 0.000 0.766 335 E HN 0.403 nan 8.360 nan 0.000 0.507 336 L N -0.277 120.947 121.223 0.000 0.000 2.275 336 L HA -0.023 4.317 4.340 0.000 0.000 0.215 336 L C 1.592 178.461 176.870 -0.002 0.000 1.119 336 L CA 0.621 55.418 54.840 -0.072 0.000 0.790 336 L CB -0.497 41.384 42.059 -0.297 0.000 0.919 336 L HN 0.295 nan 8.230 nan 0.000 0.443 337 G N 0.769 109.597 108.800 0.047 0.000 2.198 337 G HA2 -0.286 3.674 3.960 0.000 0.000 0.260 337 G HA3 -0.286 3.674 3.960 0.000 0.000 0.260 337 G C 0.143 175.149 174.900 0.177 0.000 1.025 337 G CA -0.005 45.162 45.100 0.111 0.000 0.769 337 G HN 0.252 nan 8.290 nan 0.000 0.507 338 L N -0.445 120.825 121.223 0.078 0.000 2.375 338 L HA 0.718 5.058 4.340 0.000 0.000 0.271 338 L C 0.717 177.535 176.870 -0.085 0.000 1.107 338 L CA -0.223 54.627 54.840 0.017 0.000 0.806 338 L CB 1.355 43.296 42.059 -0.196 0.000 1.146 338 L HN 0.521 nan 8.230 nan 0.000 0.447 339 K N 1.091 121.261 120.400 -0.383 0.000 2.578 339 K HA 0.529 4.849 4.320 0.000 0.000 0.287 339 K C -1.971 174.591 176.600 -0.062 0.000 1.010 339 K CA -1.074 55.068 56.287 -0.242 0.000 0.889 339 K CB 2.218 34.496 32.500 -0.370 0.000 1.514 339 K HN 0.567 nan 8.250 nan 0.000 0.424 340 W N 1.642 122.875 121.300 -0.112 0.000 3.146 340 W HA 0.327 4.987 4.660 0.000 0.000 0.319 340 W C -1.322 175.199 176.519 0.003 0.000 1.258 340 W CA -0.801 56.526 57.345 -0.029 0.000 1.189 340 W CB 1.597 30.918 29.460 -0.230 0.000 1.412 340 W HN 0.693 nan 8.180 nan 0.000 0.567 341 Y N 0.906 121.040 120.300 -0.277 0.000 2.326 341 Y HA 0.534 5.084 4.550 0.000 0.000 0.333 341 Y C 0.776 176.833 175.900 0.262 0.000 1.240 341 Y CA 0.079 58.131 58.100 -0.080 0.000 1.365 341 Y CB 0.235 38.536 38.460 -0.264 0.000 1.289 341 Y HN 0.335 nan 8.280 nan 0.000 0.548 342 A N 2.301 125.335 122.820 0.357 0.000 2.132 342 A HA 0.121 4.441 4.320 0.000 0.000 0.213 342 A C 0.395 178.316 177.584 0.561 0.000 1.154 342 A CA 0.123 52.429 52.037 0.449 0.000 0.753 342 A CB -0.218 18.889 19.000 0.179 0.000 0.826 342 A HN 0.661 nan 8.150 nan 0.000 0.469 343 L N 2.063 123.571 121.223 0.475 0.000 2.264 343 L HA 0.425 4.765 4.340 0.000 0.000 0.287 343 L C -2.597 174.453 176.870 0.299 0.000 1.039 343 L CA -2.185 52.850 54.840 0.325 0.000 0.829 343 L CB 1.461 43.629 42.059 0.182 0.000 1.211 343 L HN -0.050 nan 8.230 nan 0.000 0.427 344 P HA 0.397 nan 4.420 nan 0.000 0.284 344 P C -1.478 175.750 177.300 -0.121 0.000 1.432 344 P CA -0.304 62.674 63.100 -0.204 0.000 0.929 344 P CB 1.318 32.483 31.700 -0.891 0.000 1.158 345 A N 4.074 126.836 122.820 -0.096 0.000 2.359 345 A HA 0.510 4.830 4.320 0.000 0.000 0.303 345 A C -0.509 176.913 177.584 -0.270 0.000 1.066 345 A CA -0.699 51.231 52.037 -0.179 0.000 0.730 345 A CB 1.434 20.325 19.000 -0.181 0.000 1.211 345 A HN 0.278 nan 8.150 nan 0.000 0.439 346 V N 1.889 121.533 119.914 -0.450 0.000 2.530 346 V HA 0.481 4.601 4.120 0.000 0.000 0.282 346 V C 1.074 176.776 176.094 -0.654 0.000 1.048 346 V CA 0.892 62.861 62.300 -0.550 0.000 0.997 346 V CB 1.360 32.766 31.823 -0.696 0.000 0.987 346 V HN 1.229 nan 8.190 nan 0.000 0.477 347 A N 3.815 126.405 122.820 -0.383 0.000 2.551 347 A HA 0.207 4.527 4.320 0.000 0.000 0.252 347 A C 1.071 178.568 177.584 -0.145 0.000 1.199 347 A CA 0.153 52.027 52.037 -0.271 0.000 0.972 347 A CB 0.006 18.901 19.000 -0.176 0.000 1.153 347 A HN 0.804 nan 8.150 nan 0.000 0.559 348 N N -0.607 118.015 118.700 -0.130 0.000 2.204 348 N HA 0.248 4.988 4.740 0.000 0.000 0.219 348 N C -0.000 175.523 175.510 0.022 0.000 1.151 348 N CA -0.134 52.896 53.050 -0.035 0.000 0.867 348 N CB -0.268 38.200 38.487 -0.033 0.000 1.043 348 N HN 0.363 nan 8.380 nan 0.000 0.516 349 M N 0.522 120.130 119.600 0.013 0.000 2.368 349 M HA 0.360 4.840 4.480 0.000 0.000 0.311 349 M C -0.449 175.989 176.300 0.230 0.000 1.168 349 M CA -0.867 54.518 55.300 0.143 0.000 1.044 349 M CB 2.060 34.760 32.600 0.167 0.000 1.506 349 M HN 0.057 nan 8.290 nan 0.000 0.475 350 L N 2.583 123.981 121.223 0.292 0.000 2.322 350 L HA 0.533 4.873 4.340 0.000 0.000 0.281 350 L C -1.369 175.743 176.870 0.405 0.000 1.014 350 L CA -1.018 54.014 54.840 0.320 0.000 0.815 350 L CB 1.289 43.494 42.059 0.244 0.000 1.247 350 L HN 0.591 nan 8.230 nan 0.000 0.421 351 L N 5.143 126.607 121.223 0.402 0.000 2.265 351 L HA 0.426 4.766 4.340 0.000 0.000 0.288 351 L C -0.341 176.689 176.870 0.266 0.000 1.058 351 L CA 0.382 55.386 54.840 0.272 0.000 0.809 351 L CB 0.944 43.132 42.059 0.216 0.000 1.179 351 L HN 0.629 nan 8.230 nan 0.000 0.429 352 E N 5.025 125.340 120.200 0.192 0.000 2.156 352 E HA 0.478 4.829 4.350 0.000 0.000 0.279 352 E C -1.832 174.800 176.600 0.052 0.000 0.965 352 E CA -0.376 56.135 56.400 0.185 0.000 0.789 352 E CB 1.766 31.680 29.700 0.356 0.000 1.098 352 E HN 0.532 nan 8.360 nan 0.000 0.397 353 V N 3.323 123.241 119.914 0.007 0.000 2.752 353 V HA 0.471 4.591 4.120 0.000 0.000 0.302 353 V C 0.291 176.291 176.094 -0.156 0.000 1.133 353 V CA 0.441 62.641 62.300 -0.167 0.000 0.919 353 V CB 1.306 32.922 31.823 -0.345 0.000 1.026 353 V HN 0.863 nan 8.190 nan 0.000 0.429 354 G N 4.424 113.179 108.800 -0.075 0.000 2.379 354 G HA2 0.067 4.027 3.960 0.000 0.000 0.297 354 G HA3 0.067 4.027 3.960 0.000 0.000 0.297 354 G C 1.622 176.689 174.900 0.278 0.000 1.004 354 G CA 1.490 46.704 45.100 0.189 0.000 0.921 354 G HN 2.737 nan 8.290 nan 0.000 0.511 355 G N -1.946 106.964 108.800 0.183 0.000 2.284 355 G HA2 -0.258 3.702 3.960 0.000 0.000 0.247 355 G HA3 -0.258 3.702 3.960 0.000 0.000 0.247 355 G C 0.605 175.563 174.900 0.096 0.000 1.012 355 G CA 0.520 45.755 45.100 0.226 0.000 0.618 355 G HN 1.281 nan 8.290 nan 0.000 0.521 356 L N 0.683 121.916 121.223 0.017 0.000 2.436 356 L HA 0.632 4.972 4.340 0.000 0.000 0.265 356 L C 0.412 177.200 176.870 -0.137 0.000 1.168 356 L CA -0.238 54.513 54.840 -0.148 0.000 0.815 356 L CB 0.876 42.758 42.059 -0.294 0.000 1.109 356 L HN 0.223 nan 8.230 nan 0.000 0.462 357 E N 1.595 121.633 120.200 -0.270 0.000 2.246 357 E HA 0.396 4.746 4.350 0.000 0.000 0.266 357 E C -1.592 174.811 176.600 -0.329 0.000 0.880 357 E CA -0.420 55.889 56.400 -0.152 0.000 0.762 357 E CB 2.000 31.656 29.700 -0.074 0.000 1.180 357 E HN 0.256 nan 8.360 nan 0.000 0.416 358 F N 3.259 123.237 119.950 0.046 0.000 2.307 358 F HA 0.304 4.831 4.527 0.000 0.000 0.369 358 F C -1.811 174.064 175.800 0.126 0.000 1.076 358 F CA -2.112 55.933 58.000 0.076 0.000 1.149 358 F CB 1.360 40.401 39.000 0.069 0.000 1.410 358 F HN 0.364 nan 8.300 nan 0.000 0.481 359 P HA -0.091 nan 4.420 nan 0.000 0.225 359 P C -0.101 177.331 177.300 0.221 0.000 1.148 359 P CA 0.810 64.022 63.100 0.187 0.000 0.779 359 P CB 0.422 32.205 31.700 0.139 0.000 0.780 360 A N -0.061 122.939 122.820 0.300 0.000 2.375 360 A HA 0.560 4.880 4.320 0.000 0.000 0.291 360 A C -0.376 177.479 177.584 0.453 0.000 1.160 360 A CA -0.441 51.792 52.037 0.326 0.000 0.747 360 A CB 0.330 19.484 19.000 0.257 0.000 1.170 360 A HN 0.266 nan 8.150 nan 0.000 0.458 361 C N 1.109 120.606 119.300 0.329 0.000 3.166 361 C HA 0.496 4.956 4.460 0.000 0.000 0.277 361 C C -2.969 172.113 174.990 0.153 0.000 0.984 361 C CA -1.535 57.641 59.018 0.263 0.000 1.142 361 C CB -0.086 27.817 27.740 0.271 0.000 1.721 361 C HN 0.583 nan 8.230 nan 0.000 0.628 362 P HA 0.434 nan 4.420 nan 0.000 0.271 362 P C -0.666 176.569 177.300 -0.107 0.000 1.216 362 P CA 0.770 63.749 63.100 -0.202 0.000 0.776 362 P CB 0.676 32.274 31.700 -0.171 0.000 0.881 363 F N 0.228 120.090 119.950 -0.148 0.000 2.626 363 F HA 0.678 5.205 4.527 0.000 0.000 0.311 363 F C -0.609 175.092 175.800 -0.164 0.000 1.088 363 F CA -1.136 56.786 58.000 -0.130 0.000 0.949 363 F CB 1.645 40.431 39.000 -0.358 0.000 1.322 363 F HN 0.362 nan 8.300 nan 0.000 0.461 364 N N -0.320 118.465 118.700 0.142 0.000 2.732 364 N HA 0.754 5.494 4.740 0.000 0.000 0.259 364 N C -1.224 174.230 175.510 -0.094 0.000 1.402 364 N CA -0.441 52.622 53.050 0.021 0.000 0.829 364 N CB 1.977 40.526 38.487 0.104 0.000 1.495 364 N HN 1.067 nan 8.380 nan 0.000 0.511 365 G N -0.965 107.755 108.800 -0.133 0.000 3.187 365 G HA2 0.652 4.612 3.960 0.000 0.000 0.175 365 G HA3 0.652 4.612 3.960 0.000 0.000 0.175 365 G C -1.838 173.056 174.900 -0.011 0.000 1.112 365 G CA -0.607 44.355 45.100 -0.230 0.000 0.821 365 G HN 0.714 nan 8.290 nan 0.000 0.636 366 W N -1.586 119.705 121.300 -0.015 0.000 2.929 366 W HA 0.832 5.492 4.660 0.000 0.000 0.345 366 W C -1.517 174.976 176.519 -0.044 0.000 1.151 366 W CA -2.181 55.169 57.345 0.008 0.000 1.111 366 W CB 0.416 29.921 29.460 0.075 0.000 1.449 366 W HN 0.406 nan 8.180 nan 0.000 0.572 367 Y N 2.225 122.717 120.300 0.320 0.000 2.326 367 Y HA 0.330 4.880 4.550 0.000 0.000 0.333 367 Y C 0.638 176.573 175.900 0.059 0.000 1.240 367 Y CA -0.641 57.508 58.100 0.082 0.000 1.365 367 Y CB 1.273 39.661 38.460 -0.120 0.000 1.289 367 Y HN 0.435 nan 8.280 nan 0.000 0.548 368 M N 1.979 121.709 119.600 0.216 0.000 2.294 368 M HA 0.396 4.876 4.480 0.000 0.000 0.335 368 M C 1.040 177.312 176.300 -0.047 0.000 1.079 368 M CA -0.151 55.201 55.300 0.087 0.000 0.982 368 M CB 1.499 34.133 32.600 0.056 0.000 1.651 368 M HN 0.819 nan 8.290 nan 0.000 0.437 369 G N 1.387 110.115 108.800 -0.119 0.000 2.505 369 G HA2 -0.298 3.662 3.960 0.000 0.000 0.220 369 G HA3 -0.298 3.662 3.960 0.000 0.000 0.220 369 G C 1.136 175.872 174.900 -0.274 0.000 1.145 369 G CA 1.795 46.755 45.100 -0.233 0.000 0.761 369 G HN 0.880 nan 8.290 nan 0.000 0.571 370 T N -0.922 113.481 114.554 -0.252 0.000 2.929 370 T HA -0.018 4.332 4.350 0.000 0.000 0.271 370 T C 1.926 176.447 174.700 -0.298 0.000 1.085 370 T CA 1.591 63.497 62.100 -0.322 0.000 1.125 370 T CB -0.250 68.361 68.868 -0.429 0.000 0.874 370 T HN 0.537 nan 8.240 nan 0.000 0.494 371 E N 0.875 120.924 120.200 -0.252 0.000 2.077 371 E HA -0.035 4.315 4.350 0.000 0.000 0.193 371 E C 2.046 178.367 176.600 -0.464 0.000 0.989 371 E CA 1.351 57.614 56.400 -0.228 0.000 0.800 371 E CB -0.265 29.443 29.700 0.014 0.000 0.746 371 E HN 0.591 nan 8.360 nan 0.000 0.452 372 I N 0.278 120.419 120.570 -0.715 0.000 2.364 372 I HA -0.047 4.123 4.170 0.000 0.000 0.241 372 I C 2.609 178.127 176.117 -0.999 0.000 1.082 372 I CA 0.859 61.430 61.300 -1.215 0.000 1.401 372 I CB -0.513 36.653 38.000 -1.389 0.000 1.126 372 I HN 0.098 nan 8.210 nan 0.000 0.429 373 G N 0.546 109.003 108.800 -0.572 0.000 2.442 373 G HA2 -0.147 3.813 3.960 0.000 0.000 0.219 373 G HA3 -0.147 3.813 3.960 0.000 0.000 0.219 373 G C 1.568 176.403 174.900 -0.108 0.000 1.141 373 G CA 1.200 46.173 45.100 -0.210 0.000 0.763 373 G HN 0.247 nan 8.290 nan 0.000 0.554 374 V N -0.094 119.698 119.914 -0.202 0.000 2.627 374 V HA 0.102 4.222 4.120 0.000 0.000 0.239 374 V C 2.743 178.765 176.094 -0.120 0.000 1.077 374 V CA 0.803 63.022 62.300 -0.136 0.000 1.103 374 V CB -0.163 31.551 31.823 -0.182 0.000 0.802 374 V HN 0.108 nan 8.190 nan 0.000 0.482 375 R N 0.761 121.150 120.500 -0.186 0.000 2.051 375 R HA -0.011 4.329 4.340 0.000 0.000 0.225 375 R C 1.960 178.198 176.300 -0.105 0.000 1.155 375 R CA 1.481 57.498 56.100 -0.138 0.000 0.945 375 R CB -1.137 29.069 30.300 -0.156 0.000 0.840 375 R HN 0.458 nan 8.270 nan 0.000 0.432 376 D N 0.483 120.716 120.400 -0.278 0.000 2.097 376 D HA -0.126 4.514 4.640 0.000 0.000 0.195 376 D C 1.884 178.243 176.300 0.100 0.000 0.989 376 D CA 1.158 54.994 54.000 -0.273 0.000 0.827 376 D CB -0.171 39.931 40.800 -1.164 0.000 0.966 376 D HN 0.089 nan 8.370 nan 0.000 0.456 377 F N 0.289 120.165 119.950 -0.122 0.000 2.270 377 F HA 0.033 4.560 4.527 0.000 0.000 0.295 377 F C 2.391 178.246 175.800 0.090 0.000 1.087 377 F CA -0.231 57.788 58.000 0.030 0.000 1.365 377 F CB -0.733 38.264 39.000 -0.006 0.000 1.056 377 F HN 0.034 nan 8.300 nan 0.000 0.506 378 C N -1.174 118.255 119.300 0.215 0.000 2.912 378 C HA 0.185 4.645 4.460 0.000 0.000 0.274 378 C C 0.433 175.477 174.990 0.091 0.000 1.248 378 C CA -0.681 58.419 59.018 0.138 0.000 1.694 378 C CB -0.670 27.121 27.740 0.085 0.000 2.024 378 C HN 0.074 nan 8.230 nan 0.000 0.605 379 D N 1.843 122.291 120.400 0.080 0.000 2.455 379 D HA 0.085 4.725 4.640 0.000 0.000 0.241 379 D C 1.555 177.904 176.300 0.083 0.000 1.138 379 D CA 0.476 54.511 54.000 0.058 0.000 0.877 379 D CB 1.045 41.875 40.800 0.049 0.000 1.187 379 D HN 0.406 nan 8.370 nan 0.000 0.451 380 T N -0.323 114.269 114.554 0.062 0.000 2.833 380 T HA -0.240 4.110 4.350 0.000 0.000 0.269 380 T C 1.331 176.066 174.700 0.060 0.000 1.054 380 T CA 0.827 62.965 62.100 0.065 0.000 1.135 380 T CB -0.041 68.859 68.868 0.053 0.000 0.869 380 T HN 0.481 nan 8.240 nan 0.000 0.466 381 Q N 0.786 120.619 119.800 0.055 0.000 2.322 381 Q HA 0.182 4.522 4.340 0.000 0.000 0.203 381 Q C 0.815 176.847 176.000 0.053 0.000 0.923 381 Q CA -0.099 55.733 55.803 0.048 0.000 0.949 381 Q CB 0.147 28.912 28.738 0.046 0.000 1.039 381 Q HN 0.386 nan 8.270 nan 0.000 0.496 382 R N -0.372 120.175 120.500 0.079 0.000 2.618 382 R HA 0.256 4.596 4.340 0.000 0.000 0.108 382 R C 1.385 177.717 176.300 0.053 0.000 1.220 382 R CA -0.374 55.790 56.100 0.107 0.000 1.020 382 R CB -1.106 29.330 30.300 0.227 0.000 0.950 382 R HN 0.072 nan 8.270 nan 0.000 0.397 383 Y N 1.532 121.967 120.300 0.227 0.000 2.509 383 Y HA -0.047 4.503 4.550 0.000 0.000 0.293 383 Y C 0.618 176.601 175.900 0.138 0.000 1.133 383 Y CA 0.748 58.977 58.100 0.216 0.000 1.283 383 Y CB -0.314 38.353 38.460 0.345 0.000 1.001 383 Y HN 0.459 nan 8.280 nan 0.000 0.555 384 N N 0.939 119.784 118.700 0.242 0.000 2.689 384 N HA -0.232 4.509 4.740 0.000 0.000 0.263 384 N C 0.287 175.888 175.510 0.152 0.000 0.987 384 N CA 0.818 53.967 53.050 0.165 0.000 0.782 384 N CB -1.266 37.286 38.487 0.110 0.000 0.903 384 N HN 0.667 nan 8.380 nan 0.000 0.547 385 I N -3.037 117.632 120.570 0.165 0.000 3.875 385 I HA 0.132 4.302 4.170 0.000 0.000 0.329 385 I C 1.587 177.785 176.117 0.135 0.000 1.295 385 I CA -0.445 60.920 61.300 0.108 0.000 1.129 385 I CB -0.052 37.964 38.000 0.026 0.000 1.008 385 I HN 0.153 nan 8.210 nan 0.000 0.413 386 L N 1.846 123.173 121.223 0.173 0.000 1.989 386 L HA -0.214 4.126 4.340 0.000 0.000 0.211 386 L C 2.565 179.649 176.870 0.357 0.000 1.071 386 L CA 2.324 57.301 54.840 0.229 0.000 0.749 386 L CB -0.742 41.413 42.059 0.160 0.000 0.890 386 L HN 0.521 nan 8.230 nan 0.000 0.431 387 E N -0.980 119.412 120.200 0.320 0.000 2.077 387 E HA -0.310 4.040 4.350 0.000 0.000 0.193 387 E C 2.071 178.683 176.600 0.019 0.000 0.989 387 E CA 1.323 57.842 56.400 0.199 0.000 0.800 387 E CB -0.092 29.661 29.700 0.087 0.000 0.746 387 E HN 0.539 nan 8.360 nan 0.000 0.452 388 E N 0.143 120.358 120.200 0.025 0.000 2.058 388 E HA -0.177 4.173 4.350 0.000 0.000 0.194 388 E C 1.984 178.551 176.600 -0.055 0.000 0.997 388 E CA 1.681 58.055 56.400 -0.044 0.000 0.801 388 E CB -0.261 29.422 29.700 -0.029 0.000 0.746 388 E HN 0.192 nan 8.360 nan 0.000 0.450 389 V N 0.213 120.166 119.914 0.064 0.000 2.343 389 V HA -0.183 3.937 4.120 0.000 0.000 0.247 389 V C 2.329 178.496 176.094 0.122 0.000 1.051 389 V CA 1.899 64.298 62.300 0.166 0.000 1.036 389 V CB -1.178 30.829 31.823 0.306 0.000 0.654 389 V HN 0.508 nan 8.190 nan 0.000 0.451 390 G N -0.228 108.676 108.800 0.172 0.000 2.440 390 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 390 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 390 G C 1.767 176.572 174.900 -0.159 0.000 1.154 390 G CA 0.754 45.929 45.100 0.126 0.000 0.767 390 G HN 0.433 nan 8.290 nan 0.000 0.552 391 R N -0.123 120.219 120.500 -0.262 0.000 2.075 391 R HA 0.045 4.385 4.340 0.000 0.000 0.232 391 R C 2.748 178.821 176.300 -0.379 0.000 1.126 391 R CA 0.928 56.833 56.100 -0.324 0.000 0.963 391 R CB -0.256 29.863 30.300 -0.303 0.000 0.858 391 R HN 0.261 nan 8.270 nan 0.000 0.435 392 R N 0.048 120.239 120.500 -0.514 0.000 2.189 392 R HA -0.006 4.334 4.340 0.000 0.000 0.223 392 R C 1.885 177.645 176.300 -0.901 0.000 1.092 392 R CA 0.990 56.522 56.100 -0.946 0.000 0.989 392 R CB -0.037 29.276 30.300 -1.644 0.000 0.876 392 R HN 0.226 nan 8.270 nan 0.000 0.457 393 M N -0.709 118.618 119.600 -0.455 0.000 2.556 393 M HA 0.129 4.610 4.480 0.000 0.000 0.245 393 M C 0.705 176.905 176.300 -0.167 0.000 1.128 393 M CA 0.494 55.660 55.300 -0.223 0.000 1.069 393 M CB 0.827 33.436 32.600 0.014 0.000 1.469 393 M HN 0.365 nan 8.290 nan 0.000 0.494 394 G N 2.038 110.709 108.800 -0.216 0.000 2.225 394 G HA2 -0.229 3.731 3.960 0.000 0.000 0.264 394 G HA3 -0.229 3.731 3.960 0.000 0.000 0.264 394 G C -0.154 174.679 174.900 -0.112 0.000 1.060 394 G CA -0.142 44.860 45.100 -0.164 0.000 0.833 394 G HN 0.392 nan 8.290 nan 0.000 0.498 395 L N -0.983 120.170 121.223 -0.118 0.000 2.431 395 L HA 0.471 4.811 4.340 0.000 0.000 0.260 395 L C 0.981 177.739 176.870 -0.187 0.000 1.098 395 L CA -0.883 53.915 54.840 -0.070 0.000 0.800 395 L CB 0.661 42.755 42.059 0.059 0.000 1.210 395 L HN 0.157 nan 8.230 nan 0.000 0.465 396 E N 0.109 120.237 120.200 -0.120 0.000 2.148 396 E HA -0.011 4.339 4.350 0.000 0.000 0.308 396 E C 0.764 177.096 176.600 -0.448 0.000 1.278 396 E CA -0.054 56.244 56.400 -0.170 0.000 1.368 396 E CB -0.017 29.674 29.700 -0.015 0.000 1.229 396 E HN 0.638 nan 8.360 nan 0.000 0.494 397 T N -1.829 112.187 114.554 -0.897 0.000 3.139 397 T HA -0.145 4.205 4.350 0.000 0.000 0.267 397 T C 1.019 175.142 174.700 -0.961 0.000 1.164 397 T CA 0.758 61.801 62.100 -1.761 0.000 1.075 397 T CB -0.055 67.807 68.868 -1.678 0.000 0.904 397 T HN 0.370 nan 8.240 nan 0.000 0.540 398 H N 0.252 119.119 119.070 -0.338 0.000 2.652 398 H HA 0.306 4.862 4.556 0.000 0.000 0.274 398 H C -0.072 175.260 175.328 0.006 0.000 1.021 398 H CA 0.013 55.991 56.048 -0.116 0.000 1.187 398 H CB 0.726 30.424 29.762 -0.105 0.000 1.505 398 H HN 0.355 nan 8.280 nan 0.000 0.530 399 T N 1.899 116.543 114.554 0.150 0.000 2.934 399 T HA 0.219 4.569 4.350 0.000 0.000 0.328 399 T C 1.535 176.414 174.700 0.298 0.000 1.068 399 T CA -0.360 61.850 62.100 0.183 0.000 1.018 399 T CB 1.415 70.359 68.868 0.126 0.000 1.009 399 T HN 0.072 nan 8.240 nan 0.000 0.471 400 L N 1.876 123.261 121.223 0.270 0.000 2.013 400 L HA -0.194 4.146 4.340 0.000 0.000 0.212 400 L C 2.813 179.770 176.870 0.144 0.000 1.073 400 L CA 1.698 56.674 54.840 0.226 0.000 0.753 400 L CB -0.455 41.685 42.059 0.135 0.000 0.890 400 L HN 0.748 nan 8.230 nan 0.000 0.432 401 A N -0.388 122.501 122.820 0.117 0.000 2.131 401 A HA -0.202 4.118 4.320 0.000 0.000 0.220 401 A C 2.383 180.023 177.584 0.094 0.000 1.158 401 A CA 1.643 53.729 52.037 0.082 0.000 0.665 401 A CB -0.582 18.459 19.000 0.067 0.000 0.795 401 A HN 0.596 nan 8.150 nan 0.000 0.460 402 S N -0.586 115.204 115.700 0.150 0.000 2.474 402 S HA 0.036 4.506 4.470 0.000 0.000 0.235 402 S C 0.924 175.611 174.600 0.145 0.000 0.997 402 S CA 0.832 59.126 58.200 0.157 0.000 0.949 402 S CB -0.730 62.595 63.200 0.207 0.000 0.766 402 S HN 0.935 nan 8.310 nan 0.000 0.517 403 L N 0.082 121.365 121.223 0.100 0.000 4.089 403 L HA -0.167 4.173 4.340 0.000 0.000 0.408 403 L C 1.585 178.470 176.870 0.025 0.000 1.184 403 L CA 0.744 55.589 54.840 0.007 0.000 0.947 403 L CB -2.706 39.365 42.059 0.019 0.000 2.066 403 L HN 0.760 nan 8.230 nan 0.000 0.851 404 W N 0.428 121.744 121.300 0.027 0.000 2.374 404 W HA -0.139 4.521 4.660 0.000 0.000 0.288 404 W C 1.684 178.226 176.519 0.038 0.000 1.218 404 W CA 1.352 58.713 57.345 0.027 0.000 1.245 404 W CB -0.677 28.785 29.460 0.005 0.000 1.126 404 W HN 0.275 nan 8.180 nan 0.000 0.545 405 K N 1.032 120.854 120.400 -0.963 0.000 2.057 405 K HA -0.164 4.156 4.320 0.000 0.000 0.207 405 K C 1.509 177.924 176.600 -0.308 0.000 1.049 405 K CA 2.302 58.050 56.287 -0.899 0.000 0.931 405 K CB -0.393 31.515 32.500 -0.987 0.000 0.714 405 K HN 0.036 nan 8.250 nan 0.000 0.440 406 D N 0.317 120.594 120.400 -0.205 0.000 2.117 406 D HA -0.115 4.525 4.640 0.000 0.000 0.197 406 D C 1.948 178.251 176.300 0.005 0.000 0.987 406 D CA 1.126 55.080 54.000 -0.078 0.000 0.829 406 D CB 0.015 40.786 40.800 -0.049 0.000 0.961 406 D HN 0.119 nan 8.370 nan 0.000 0.460 407 R N 0.413 120.943 120.500 0.049 0.000 2.075 407 R HA 0.038 4.378 4.340 0.000 0.000 0.232 407 R C 2.280 178.683 176.300 0.171 0.000 1.126 407 R CA 1.156 57.329 56.100 0.122 0.000 0.963 407 R CB -0.284 30.112 30.300 0.160 0.000 0.858 407 R HN 0.146 nan 8.270 nan 0.000 0.435 408 A N 0.653 123.587 122.820 0.190 0.000 1.873 408 A HA -0.126 4.194 4.320 0.000 0.000 0.215 408 A C 2.285 179.997 177.584 0.213 0.000 1.186 408 A CA 1.385 53.576 52.037 0.256 0.000 0.616 408 A CB -0.831 18.360 19.000 0.319 0.000 0.823 408 A HN 0.194 nan 8.150 nan 0.000 0.442 409 V N -0.108 119.873 119.914 0.113 0.000 2.392 409 V HA -0.228 3.892 4.120 0.000 0.000 0.249 409 V C 2.572 178.724 176.094 0.096 0.000 1.059 409 V CA 2.959 65.312 62.300 0.087 0.000 1.051 409 V CB -0.839 30.985 31.823 0.003 0.000 0.658 409 V HN 0.639 nan 8.190 nan 0.000 0.455 410 T N -0.277 114.335 114.554 0.096 0.000 2.788 410 T HA -0.127 4.223 4.350 0.000 0.000 0.268 410 T C 1.771 176.543 174.700 0.120 0.000 1.044 410 T CA 1.489 63.647 62.100 0.096 0.000 1.139 410 T CB -0.228 68.696 68.868 0.094 0.000 0.867 410 T HN 0.525 nan 8.240 nan 0.000 0.454 411 E N 0.873 121.187 120.200 0.190 0.000 2.150 411 E HA 0.027 4.377 4.350 0.000 0.000 0.193 411 E C 2.182 178.903 176.600 0.200 0.000 0.985 411 E CA 0.618 57.169 56.400 0.252 0.000 0.814 411 E CB -0.323 29.607 29.700 0.383 0.000 0.752 411 E HN 0.537 nan 8.360 nan 0.000 0.466 412 I N 1.530 122.246 120.570 0.244 0.000 2.252 412 I HA -0.235 3.936 4.170 0.000 0.000 0.245 412 I C 2.036 178.211 176.117 0.098 0.000 1.102 412 I CA 0.717 62.175 61.300 0.263 0.000 1.385 412 I CB -0.273 37.951 38.000 0.374 0.000 1.064 412 I HN 0.009 nan 8.210 nan 0.000 0.414 413 N N 0.630 119.363 118.700 0.055 0.000 2.166 413 N HA -0.127 4.613 4.740 0.000 0.000 0.186 413 N C 1.957 177.443 175.510 -0.039 0.000 1.019 413 N CA 1.165 54.209 53.050 -0.010 0.000 0.856 413 N CB -0.303 38.182 38.487 -0.003 0.000 0.993 413 N HN 0.153 nan 8.380 nan 0.000 0.426 414 V N 1.545 121.422 119.914 -0.061 0.000 2.343 414 V HA -0.185 3.935 4.120 0.000 0.000 0.247 414 V C 2.411 178.349 176.094 -0.260 0.000 1.051 414 V CA 1.727 63.930 62.300 -0.162 0.000 1.036 414 V CB -0.887 30.793 31.823 -0.238 0.000 0.654 414 V HN 0.280 nan 8.190 nan 0.000 0.451 415 A N -0.185 122.429 122.820 -0.343 0.000 1.877 415 A HA -0.166 4.154 4.320 0.000 0.000 0.216 415 A C 2.403 179.914 177.584 -0.122 0.000 1.186 415 A CA 2.135 53.918 52.037 -0.422 0.000 0.620 415 A CB -0.716 17.714 19.000 -0.949 0.000 0.822 415 A HN 0.326 nan 8.150 nan 0.000 0.443 416 V N 0.189 120.077 119.914 -0.044 0.000 2.255 416 V HA -0.282 3.838 4.120 0.000 0.000 0.247 416 V C 2.603 178.718 176.094 0.035 0.000 1.051 416 V CA 2.110 64.428 62.300 0.030 0.000 1.018 416 V CB -0.833 30.933 31.823 -0.095 0.000 0.641 416 V HN 0.573 nan 8.190 nan 0.000 0.445 417 L N -0.639 120.564 121.223 -0.033 0.000 2.017 417 L HA -0.213 4.127 4.340 0.000 0.000 0.208 417 L C 2.645 179.536 176.870 0.034 0.000 1.073 417 L CA 2.116 56.945 54.840 -0.018 0.000 0.745 417 L CB -1.004 41.039 42.059 -0.025 0.000 0.894 417 L HN 0.495 nan 8.230 nan 0.000 0.432 418 H N 0.039 119.055 119.070 -0.091 0.000 2.319 418 H HA -0.158 4.398 4.556 0.000 0.000 0.299 418 H C 2.279 177.581 175.328 -0.043 0.000 1.092 418 H CA 1.933 57.917 56.048 -0.108 0.000 1.302 418 H CB 0.334 29.960 29.762 -0.225 0.000 1.373 418 H HN 0.261 nan 8.280 nan 0.000 0.497 419 S N 0.235 115.872 115.700 -0.105 0.000 2.356 419 S HA -0.126 4.344 4.470 0.000 0.000 0.223 419 S C 1.999 176.558 174.600 -0.067 0.000 1.032 419 S CA 1.288 59.421 58.200 -0.111 0.000 1.005 419 S CB -0.543 62.683 63.200 0.043 0.000 0.867 419 S HN 0.292 nan 8.310 nan 0.000 0.449 420 F N 2.022 121.900 119.950 -0.120 0.000 2.134 420 F HA -0.120 4.407 4.527 0.000 0.000 0.299 420 F C 2.677 178.411 175.800 -0.111 0.000 1.097 420 F CA 1.222 59.169 58.000 -0.087 0.000 1.264 420 F CB -0.632 38.333 39.000 -0.060 0.000 1.001 420 F HN 0.217 nan 8.300 nan 0.000 0.479 421 Q N -0.114 119.718 119.800 0.054 0.000 2.050 421 Q HA -0.253 4.087 4.340 0.000 0.000 0.202 421 Q C 2.269 178.207 176.000 -0.104 0.000 0.980 421 Q CA 1.790 57.574 55.803 -0.033 0.000 0.840 421 Q CB -0.326 28.384 28.738 -0.047 0.000 0.898 421 Q HN 0.337 nan 8.270 nan 0.000 0.424 422 K N 0.888 121.165 120.400 -0.205 0.000 2.057 422 K HA -0.204 4.116 4.320 0.000 0.000 0.207 422 K C 1.508 178.021 176.600 -0.145 0.000 1.049 422 K CA 1.420 57.577 56.287 -0.217 0.000 0.931 422 K CB 0.112 32.391 32.500 -0.368 0.000 0.714 422 K HN 0.169 nan 8.250 nan 0.000 0.440 423 Q N 0.451 120.162 119.800 -0.149 0.000 2.322 423 Q HA 0.084 4.424 4.340 0.000 0.000 0.203 423 Q C -0.618 175.316 176.000 -0.110 0.000 0.923 423 Q CA -0.135 55.588 55.803 -0.133 0.000 0.949 423 Q CB 0.375 29.008 28.738 -0.174 0.000 1.039 423 Q HN 0.298 nan 8.270 nan 0.000 0.496 424 N N -0.249 118.400 118.700 -0.086 0.000 2.740 424 N HA -0.149 4.591 4.740 0.000 0.000 0.248 424 N C -1.386 174.093 175.510 -0.051 0.000 1.062 424 N CA 0.598 53.610 53.050 -0.062 0.000 0.704 424 N CB -1.374 37.078 38.487 -0.059 0.000 0.968 424 N HN 0.027 nan 8.380 nan 0.000 0.547 425 V N 0.699 120.595 119.914 -0.030 0.000 2.459 425 V HA 0.270 4.390 4.120 0.000 0.000 0.295 425 V C 0.871 177.070 176.094 0.175 0.000 1.029 425 V CA -0.673 61.643 62.300 0.028 0.000 0.874 425 V CB 2.049 33.798 31.823 -0.123 0.000 0.985 425 V HN 0.175 nan 8.190 nan 0.000 0.438 426 T N 6.418 121.022 114.554 0.083 0.000 2.905 426 T HA 0.390 4.741 4.350 0.000 0.000 0.299 426 T C -0.245 174.487 174.700 0.053 0.000 1.024 426 T CA 0.960 63.022 62.100 -0.064 0.000 1.151 426 T CB -0.050 68.644 68.868 -0.290 0.000 0.987 426 T HN 0.574 nan 8.240 nan 0.000 0.535 427 I N 2.882 123.397 120.570 -0.091 0.000 2.947 427 I HA 0.533 4.703 4.170 0.000 0.000 0.301 427 I C -1.606 174.474 176.117 -0.061 0.000 1.453 427 I CA -1.286 59.965 61.300 -0.082 0.000 0.984 427 I CB 1.833 39.662 38.000 -0.285 0.000 1.333 427 I HN 0.755 nan 8.210 nan 0.000 0.475 428 M N 4.403 124.031 119.600 0.046 0.000 2.457 428 M HA 0.526 5.006 4.480 0.000 0.000 0.300 428 M C -1.548 174.795 176.300 0.072 0.000 1.141 428 M CA -0.694 54.659 55.300 0.088 0.000 0.901 428 M CB 2.020 34.761 32.600 0.234 0.000 1.687 428 M HN 0.490 nan 8.290 nan 0.000 0.449 429 D N 2.008 122.449 120.400 0.068 0.000 2.354 429 D HA 0.080 4.720 4.640 0.000 0.000 0.247 429 D C 0.603 176.961 176.300 0.097 0.000 1.138 429 D CA -0.290 53.771 54.000 0.102 0.000 0.958 429 D CB 0.673 41.519 40.800 0.077 0.000 1.144 429 D HN 0.916 nan 8.370 nan 0.000 0.458 430 H N 0.079 119.088 119.070 -0.103 0.000 2.457 430 H HA -0.119 4.437 4.556 0.000 0.000 0.294 430 H C 1.374 176.591 175.328 -0.185 0.000 1.064 430 H CA 1.143 57.087 56.048 -0.173 0.000 1.330 430 H CB -0.718 28.885 29.762 -0.264 0.000 1.395 430 H HN 0.520 nan 8.280 nan 0.000 0.541 431 H N 0.910 119.796 119.070 -0.306 0.000 2.299 431 H HA -0.032 4.524 4.556 0.000 0.000 0.302 431 H C 1.951 177.252 175.328 -0.045 0.000 1.078 431 H CA 1.915 57.853 56.048 -0.182 0.000 1.323 431 H CB -0.315 29.308 29.762 -0.230 0.000 1.381 431 H HN 0.371 nan 8.280 nan 0.000 0.498 432 T N 1.264 115.875 114.554 0.095 0.000 2.746 432 T HA -0.096 4.254 4.350 0.000 0.000 0.267 432 T C 2.330 177.096 174.700 0.111 0.000 1.039 432 T CA 1.186 63.341 62.100 0.092 0.000 1.142 432 T CB -0.389 68.528 68.868 0.081 0.000 0.866 432 T HN 0.434 nan 8.240 nan 0.000 0.444 433 A N 0.974 123.860 122.820 0.109 0.000 1.902 433 A HA -0.083 4.237 4.320 0.000 0.000 0.217 433 A C 2.577 180.248 177.584 0.144 0.000 1.181 433 A CA 2.043 54.160 52.037 0.133 0.000 0.623 433 A CB -1.062 18.006 19.000 0.114 0.000 0.818 433 A HN 0.443 nan 8.150 nan 0.000 0.443 434 S N -0.498 115.267 115.700 0.108 0.000 2.356 434 S HA -0.197 4.273 4.470 0.000 0.000 0.223 434 S C 1.906 176.615 174.600 0.181 0.000 1.032 434 S CA 1.690 59.970 58.200 0.134 0.000 1.005 434 S CB -0.386 62.863 63.200 0.081 0.000 0.867 434 S HN 0.657 nan 8.310 nan 0.000 0.449 435 E N 0.351 120.635 120.200 0.141 0.000 2.153 435 E HA -0.096 4.254 4.350 0.000 0.000 0.194 435 E C 2.236 178.912 176.600 0.127 0.000 0.988 435 E CA 1.088 57.562 56.400 0.123 0.000 0.811 435 E CB -0.241 29.515 29.700 0.094 0.000 0.746 435 E HN 0.531 nan 8.360 nan 0.000 0.466 436 S N 0.396 116.184 115.700 0.147 0.000 2.355 436 S HA -0.168 4.302 4.470 0.000 0.000 0.222 436 S C 1.767 176.470 174.600 0.172 0.000 1.031 436 S CA 0.823 59.111 58.200 0.148 0.000 0.993 436 S CB -0.266 63.031 63.200 0.162 0.000 0.859 436 S HN 0.334 nan 8.310 nan 0.000 0.453 437 F N 1.739 121.743 119.950 0.090 0.000 2.234 437 F HA 0.032 4.560 4.527 0.000 0.000 0.299 437 F C 2.095 177.979 175.800 0.140 0.000 1.087 437 F CA 1.338 59.406 58.000 0.113 0.000 1.340 437 F CB -0.271 38.776 39.000 0.078 0.000 1.031 437 F HN 0.193 nan 8.300 nan 0.000 0.500 438 M N 0.166 119.828 119.600 0.103 0.000 2.159 438 M HA -0.176 4.304 4.480 0.000 0.000 0.263 438 M C 2.194 178.455 176.300 -0.065 0.000 1.063 438 M CA 1.504 56.816 55.300 0.019 0.000 1.110 438 M CB -1.145 31.516 32.600 0.101 0.000 1.374 438 M HN 0.087 nan 8.290 nan 0.000 0.411 439 K N -0.339 120.051 120.400 -0.016 0.000 2.057 439 K HA -0.193 4.127 4.320 0.000 0.000 0.206 439 K C 1.990 178.559 176.600 -0.052 0.000 1.050 439 K CA 1.767 58.044 56.287 -0.016 0.000 0.935 439 K CB -0.633 31.884 32.500 0.028 0.000 0.715 439 K HN 0.394 nan 8.250 nan 0.000 0.439 440 H N -0.242 118.724 119.070 -0.174 0.000 2.353 440 H HA -0.051 4.505 4.556 0.000 0.000 0.300 440 H C 2.001 177.160 175.328 -0.281 0.000 1.090 440 H CA 2.428 58.348 56.048 -0.213 0.000 1.327 440 H CB -0.151 29.452 29.762 -0.265 0.000 1.383 440 H HN 0.265 nan 8.280 nan 0.000 0.508 441 M N -0.084 119.194 119.600 -0.538 0.000 2.108 441 M HA -0.235 4.245 4.480 0.000 0.000 0.261 441 M C 2.084 178.301 176.300 -0.139 0.000 1.066 441 M CA 1.983 57.037 55.300 -0.410 0.000 1.107 441 M CB 0.011 32.408 32.600 -0.338 0.000 1.356 441 M HN 0.455 nan 8.290 nan 0.000 0.406 442 Q N -0.116 119.600 119.800 -0.140 0.000 2.079 442 Q HA -0.143 4.197 4.340 0.000 0.000 0.200 442 Q C 1.703 177.664 176.000 -0.064 0.000 0.974 442 Q CA 1.558 57.316 55.803 -0.075 0.000 0.840 442 Q CB -0.160 28.531 28.738 -0.078 0.000 0.898 442 Q HN 0.558 nan 8.270 nan 0.000 0.430 443 N N 0.427 119.055 118.700 -0.120 0.000 2.120 443 N HA -0.143 4.597 4.740 0.000 0.000 0.188 443 N C 1.534 176.958 175.510 -0.144 0.000 1.024 443 N CA 0.970 53.959 53.050 -0.102 0.000 0.852 443 N CB -0.088 38.353 38.487 -0.076 0.000 1.003 443 N HN 0.226 nan 8.380 nan 0.000 0.424 444 E N 0.145 120.174 120.200 -0.285 0.000 2.072 444 E HA -0.119 4.231 4.350 0.000 0.000 0.191 444 E C 1.798 178.261 176.600 -0.229 0.000 0.985 444 E CA 0.780 56.981 56.400 -0.331 0.000 0.801 444 E CB -0.396 28.983 29.700 -0.533 0.000 0.750 444 E HN 0.493 nan 8.360 nan 0.000 0.452 445 Y N 0.868 121.063 120.300 -0.175 0.000 2.293 445 Y HA -0.092 4.458 4.550 0.000 0.000 0.291 445 Y C 2.545 178.391 175.900 -0.091 0.000 1.137 445 Y CA 1.154 59.188 58.100 -0.110 0.000 1.202 445 Y CB 0.026 38.423 38.460 -0.106 0.000 0.990 445 Y HN -0.040 nan 8.280 nan 0.000 0.537 446 R N -0.837 119.682 120.500 0.031 0.000 2.075 446 R HA -0.044 4.296 4.340 0.000 0.000 0.226 446 R C 2.465 178.751 176.300 -0.023 0.000 1.114 446 R CA 0.976 57.076 56.100 -0.001 0.000 0.972 446 R CB -0.402 29.890 30.300 -0.013 0.000 0.869 446 R HN 0.270 nan 8.270 nan 0.000 0.437 447 A N 1.650 124.442 122.820 -0.047 0.000 1.854 447 A HA -0.141 4.179 4.320 0.000 0.000 0.214 447 A C 1.687 179.236 177.584 -0.059 0.000 1.192 447 A CA 1.431 53.441 52.037 -0.044 0.000 0.611 447 A CB -0.119 18.854 19.000 -0.045 0.000 0.832 447 A HN 0.390 nan 8.150 nan 0.000 0.442 448 R N -2.259 118.177 120.500 -0.106 0.000 2.592 448 R HA 0.408 4.748 4.340 0.000 0.000 0.439 448 R C 0.628 176.851 176.300 -0.128 0.000 0.995 448 R CA 0.324 56.361 56.100 -0.105 0.000 1.141 448 R CB -0.688 29.541 30.300 -0.118 0.000 1.495 448 R HN 0.844 nan 8.270 nan 0.000 0.579 449 G N 0.107 108.828 108.800 -0.131 0.000 2.338 449 G HA2 -0.025 3.935 3.960 0.000 0.000 0.296 449 G HA3 -0.025 3.935 3.960 0.000 0.000 0.296 449 G C 0.244 174.931 174.900 -0.354 0.000 1.040 449 G CA 0.277 45.301 45.100 -0.127 0.000 1.004 449 G HN 0.989 nan 8.290 nan 0.000 0.509 450 G N -2.468 105.826 108.800 -0.843 0.000 2.347 450 G HA2 0.543 4.503 3.960 0.000 0.000 0.303 450 G HA3 0.543 4.503 3.960 0.000 0.000 0.303 450 G C -0.805 173.621 174.900 -0.790 0.000 1.481 450 G CA 0.204 44.639 45.100 -1.109 0.000 0.914 450 G HN 1.917 nan 8.290 nan 0.000 0.638 451 C N 2.745 121.745 119.300 -0.500 0.000 2.887 451 C HA 0.653 5.113 4.460 0.000 0.000 0.379 451 C C -2.515 172.390 174.990 -0.142 0.000 1.064 451 C CA -1.211 57.677 59.018 -0.217 0.000 1.282 451 C CB 1.064 28.732 27.740 -0.120 0.000 1.749 451 C HN 0.697 nan 8.230 nan 0.000 0.489 452 P HA 0.362 nan 4.420 nan 0.000 0.266 452 P C -0.568 176.621 177.300 -0.185 0.000 1.215 452 P CA 0.711 63.404 63.100 -0.678 0.000 0.763 452 P CB 0.933 32.137 31.700 -0.827 0.000 0.806 453 A N 2.854 125.629 122.820 -0.075 0.000 2.455 453 A HA 0.421 4.741 4.320 0.000 0.000 0.300 453 A C -1.004 176.629 177.584 0.082 0.000 1.040 453 A CA -0.554 51.532 52.037 0.082 0.000 0.697 453 A CB 1.314 20.482 19.000 0.280 0.000 1.265 453 A HN 0.428 nan 8.150 nan 0.000 0.407 454 D N 2.028 122.472 120.400 0.072 0.000 2.467 454 D HA 0.144 4.784 4.640 0.000 0.000 0.220 454 D C 0.817 177.251 176.300 0.223 0.000 1.103 454 D CA -0.535 53.555 54.000 0.150 0.000 0.886 454 D CB 0.298 41.154 40.800 0.092 0.000 1.025 454 D HN 0.597 nan 8.370 nan 0.000 0.514 455 W N 4.400 125.741 121.300 0.068 0.000 2.304 455 W HA -0.249 4.411 4.660 0.000 0.000 0.315 455 W C 1.722 178.284 176.519 0.072 0.000 1.233 455 W CA 1.336 58.709 57.345 0.046 0.000 1.261 455 W CB -0.101 29.369 29.460 0.017 0.000 1.150 455 W HN 0.478 nan 8.180 nan 0.000 0.494 456 I N -1.088 119.806 120.570 0.540 0.000 2.248 456 I HA -0.320 3.850 4.170 0.000 0.000 0.248 456 I C 1.789 178.051 176.117 0.241 0.000 1.107 456 I CA 1.530 63.092 61.300 0.436 0.000 1.373 456 I CB -0.649 37.614 38.000 0.439 0.000 1.055 456 I HN 0.102 nan 8.210 nan 0.000 0.418 457 W N 0.080 121.384 121.300 0.006 0.000 2.704 457 W HA 0.136 4.797 4.660 0.000 0.000 0.266 457 W C 2.196 178.619 176.519 -0.160 0.000 1.266 457 W CA 0.269 57.582 57.345 -0.054 0.000 1.377 457 W CB -0.296 29.153 29.460 -0.018 0.000 1.082 457 W HN -0.037 nan 8.180 nan 0.000 0.608 458 L N -0.322 120.875 121.223 -0.044 0.000 2.240 458 L HA 0.013 4.353 4.340 0.000 0.000 0.211 458 L C 0.597 177.272 176.870 -0.325 0.000 1.106 458 L CA 0.314 54.998 54.840 -0.260 0.000 0.793 458 L CB -0.815 40.992 42.059 -0.420 0.000 0.927 458 L HN -0.397 nan 8.230 nan 0.000 0.446 459 V N 1.407 121.054 119.914 -0.445 0.000 2.488 459 V HA 0.152 4.272 4.120 0.000 0.000 0.277 459 V C -1.857 174.073 176.094 -0.274 0.000 1.046 459 V CA -1.384 60.638 62.300 -0.464 0.000 0.986 459 V CB 0.622 31.939 31.823 -0.843 0.000 0.989 459 V HN 0.027 nan 8.190 nan 0.000 0.475 460 P HA 0.089 nan 4.420 nan 0.000 0.268 460 P C -1.783 175.409 177.300 -0.180 0.000 1.208 460 P CA -0.952 62.044 63.100 -0.173 0.000 0.777 460 P CB 0.066 31.699 31.700 -0.112 0.000 0.875 461 P HA -0.057 nan 4.420 nan 0.000 0.234 461 P C -0.081 177.126 177.300 -0.156 0.000 1.167 461 P CA 0.998 63.991 63.100 -0.179 0.000 0.763 461 P CB 0.141 31.721 31.700 -0.200 0.000 0.835 462 V N -6.493 113.311 119.914 -0.183 0.000 3.114 462 V HA 0.554 4.674 4.120 0.000 0.000 0.308 462 V C 0.446 176.502 176.094 -0.063 0.000 1.168 462 V CA -0.964 61.258 62.300 -0.130 0.000 1.015 462 V CB 1.264 32.991 31.823 -0.160 0.000 1.050 462 V HN -0.140 nan 8.190 nan 0.000 0.433 463 S N 0.843 116.538 115.700 -0.008 0.000 3.533 463 S HA -0.202 4.268 4.470 0.000 0.000 0.347 463 S C 1.589 176.176 174.600 -0.022 0.000 1.101 463 S CA 1.256 59.476 58.200 0.033 0.000 1.009 463 S CB -1.525 61.772 63.200 0.162 0.000 0.916 463 S HN 2.028 nan 8.310 nan 0.000 0.496 464 G N 2.311 111.068 108.800 -0.072 0.000 2.719 464 G HA2 -0.352 3.608 3.960 0.000 0.000 0.219 464 G HA3 -0.352 3.608 3.960 0.000 0.000 0.219 464 G C 1.435 176.170 174.900 -0.275 0.000 1.234 464 G CA 1.655 46.699 45.100 -0.094 0.000 0.788 464 G HN 1.331 nan 8.290 nan 0.000 0.619 465 S N 0.096 115.366 115.700 -0.716 0.000 2.603 465 S HA 0.108 4.578 4.470 0.000 0.000 0.229 465 S C 1.963 176.507 174.600 -0.093 0.000 0.972 465 S CA 0.502 58.146 58.200 -0.926 0.000 0.935 465 S CB -0.029 62.486 63.200 -1.143 0.000 0.769 465 S HN 0.204 nan 8.310 nan 0.000 0.536 466 I N 2.848 123.399 120.570 -0.032 0.000 3.059 466 I HA 0.056 4.226 4.170 0.000 0.000 0.270 466 I C 1.349 177.565 176.117 0.165 0.000 1.238 466 I CA 0.556 61.913 61.300 0.094 0.000 1.478 466 I CB -1.863 36.211 38.000 0.124 0.000 1.097 466 I HN 0.484 nan 8.210 nan 0.000 0.455 467 T N -0.836 113.804 114.554 0.142 0.000 2.907 467 T HA 0.338 4.688 4.350 0.000 0.000 0.284 467 T C -1.413 173.446 174.700 0.265 0.000 1.004 467 T CA -1.729 60.469 62.100 0.163 0.000 1.063 467 T CB 2.254 71.164 68.868 0.070 0.000 0.992 467 T HN -0.081 nan 8.240 nan 0.000 0.483 468 P HA -0.077 nan 4.420 nan 0.000 0.221 468 P C 1.855 179.351 177.300 0.326 0.000 1.150 468 P CA 0.991 64.278 63.100 0.313 0.000 0.800 468 P CB -0.331 31.490 31.700 0.202 0.000 0.787 469 V N -3.180 116.868 119.914 0.224 0.000 2.490 469 V HA -0.231 3.889 4.120 0.000 0.000 0.250 469 V C 2.371 178.536 176.094 0.118 0.000 1.061 469 V CA 1.462 63.858 62.300 0.160 0.000 1.064 469 V CB -2.306 29.538 31.823 0.035 0.000 0.670 469 V HN -0.105 nan 8.190 nan 0.000 0.461 470 F N 2.143 122.050 119.950 -0.072 0.000 2.120 470 F HA -0.193 4.334 4.527 0.000 0.000 0.300 470 F C 2.442 178.369 175.800 0.212 0.000 1.095 470 F CA 2.359 60.322 58.000 -0.062 0.000 1.249 470 F CB -0.427 38.427 39.000 -0.244 0.000 0.995 470 F HN 0.309 nan 8.300 nan 0.000 0.480 471 H N -0.942 118.462 119.070 0.557 0.000 2.533 471 H HA 0.099 4.655 4.556 0.000 0.000 0.271 471 H C 0.269 175.844 175.328 0.412 0.000 1.000 471 H CA 0.239 56.573 56.048 0.476 0.000 1.149 471 H CB -0.214 29.811 29.762 0.439 0.000 1.375 471 H HN 0.264 nan 8.280 nan 0.000 0.582 472 Q N 1.873 121.941 119.800 0.446 0.000 2.314 472 Q HA 0.164 4.504 4.340 0.000 0.000 0.259 472 Q C -0.652 175.562 176.000 0.356 0.000 0.951 472 Q CA -0.422 55.587 55.803 0.343 0.000 0.909 472 Q CB 0.868 29.773 28.738 0.279 0.000 1.236 472 Q HN 0.217 nan 8.270 nan 0.000 0.444 473 E N 3.615 123.969 120.200 0.256 0.000 2.360 473 E HA 0.292 4.642 4.350 0.000 0.000 0.269 473 E C -0.530 176.185 176.600 0.191 0.000 1.022 473 E CA 0.242 56.758 56.400 0.195 0.000 0.887 473 E CB 0.807 30.601 29.700 0.157 0.000 0.990 473 E HN 0.605 nan 8.360 nan 0.000 0.426 474 M N 2.213 121.937 119.600 0.205 0.000 2.619 474 M HA 0.396 4.877 4.480 0.000 0.000 0.297 474 M C -1.388 175.017 176.300 0.175 0.000 1.229 474 M CA -1.147 54.289 55.300 0.227 0.000 0.860 474 M CB 1.498 34.280 32.600 0.304 0.000 1.741 474 M HN 0.172 nan 8.290 nan 0.000 0.462 475 L N 2.178 123.515 121.223 0.191 0.000 2.333 475 L HA 0.501 4.841 4.340 0.000 0.000 0.280 475 L C -0.692 176.223 176.870 0.075 0.000 1.004 475 L CA -0.260 54.686 54.840 0.177 0.000 0.820 475 L CB 1.335 43.567 42.059 0.288 0.000 1.247 475 L HN 0.575 nan 8.230 nan 0.000 0.416 476 N N 3.578 122.294 118.700 0.027 0.000 2.424 476 N HA 0.564 5.304 4.740 0.000 0.000 0.271 476 N C -1.522 173.843 175.510 -0.242 0.000 0.985 476 N CA -0.175 52.795 53.050 -0.133 0.000 0.921 476 N CB 0.713 39.196 38.487 -0.005 0.000 1.149 476 N HN 0.407 nan 8.380 nan 0.000 0.492 477 Y N -0.227 119.911 120.300 -0.270 0.000 2.609 477 Y HA 0.590 5.140 4.550 0.000 0.000 0.336 477 Y C -1.206 174.538 175.900 -0.260 0.000 1.129 477 Y CA -1.333 56.535 58.100 -0.386 0.000 1.040 477 Y CB 0.639 38.948 38.460 -0.252 0.000 1.310 477 Y HN -0.007 nan 8.280 nan 0.000 0.460 478 V N 4.118 123.941 119.914 -0.153 0.000 2.350 478 V HA 0.373 4.494 4.120 0.000 0.000 0.276 478 V C 0.145 176.097 176.094 -0.237 0.000 1.028 478 V CA -0.385 61.666 62.300 -0.414 0.000 0.860 478 V CB 0.491 31.938 31.823 -0.626 0.000 0.990 478 V HN 0.739 nan 8.190 nan 0.000 0.453 479 L N 2.968 124.105 121.223 -0.143 0.000 2.805 479 L HA 0.742 5.082 4.340 0.000 0.000 0.242 479 L C 0.336 177.191 176.870 -0.025 0.000 1.180 479 L CA -0.448 54.386 54.840 -0.009 0.000 1.001 479 L CB 1.442 43.545 42.059 0.073 0.000 1.864 479 L HN 0.623 nan 8.230 nan 0.000 0.551 480 S N -0.867 114.855 115.700 0.036 0.000 2.562 480 S HA 0.495 4.965 4.470 0.000 0.000 0.274 480 S C -2.723 171.925 174.600 0.080 0.000 1.160 480 S CA -1.016 57.218 58.200 0.056 0.000 0.933 480 S CB 1.815 65.034 63.200 0.032 0.000 1.100 480 S HN 0.131 nan 8.310 nan 0.000 0.468 481 P HA 0.425 nan 4.420 nan 0.000 0.270 481 P C -1.261 176.009 177.300 -0.050 0.000 1.227 481 P CA -0.008 63.067 63.100 -0.042 0.000 0.788 481 P CB 0.213 31.825 31.700 -0.146 0.000 0.926 482 F N 0.423 120.169 119.950 -0.340 0.000 2.678 482 F HA 0.415 4.942 4.527 0.000 0.000 0.308 482 F C -1.639 173.843 175.800 -0.530 0.000 1.118 482 F CA -0.743 56.971 58.000 -0.478 0.000 0.959 482 F CB 1.155 39.841 39.000 -0.524 0.000 1.305 482 F HN 0.153 nan 8.300 nan 0.000 0.443 483 Y N 4.392 124.192 120.300 -0.834 0.000 2.385 483 Y HA 0.447 4.997 4.550 0.000 0.000 0.341 483 Y C -0.892 174.688 175.900 -0.533 0.000 0.965 483 Y CA -0.755 57.049 58.100 -0.494 0.000 1.180 483 Y CB 0.333 38.492 38.460 -0.502 0.000 1.139 483 Y HN 0.377 nan 8.280 nan 0.000 0.502 484 Y N 1.162 121.527 120.300 0.107 0.000 2.488 484 Y HA 0.404 4.954 4.550 0.000 0.000 0.325 484 Y C -0.232 175.686 175.900 0.030 0.000 1.204 484 Y CA -1.045 57.119 58.100 0.106 0.000 1.229 484 Y CB 0.836 39.415 38.460 0.197 0.000 1.274 484 Y HN 0.404 nan 8.280 nan 0.000 0.493 485 Y N 0.465 120.941 120.300 0.293 0.000 2.295 485 Y HA 0.366 4.916 4.550 0.000 0.000 0.331 485 Y C 0.057 176.022 175.900 0.107 0.000 1.311 485 Y CA -0.922 57.263 58.100 0.141 0.000 1.430 485 Y CB 0.626 39.140 38.460 0.090 0.000 1.339 485 Y HN 0.435 nan 8.280 nan 0.000 0.552 486 Q N 0.325 120.248 119.800 0.205 0.000 2.528 486 Q HA 0.474 4.814 4.340 0.000 0.000 0.289 486 Q C -1.337 174.626 176.000 -0.060 0.000 1.091 486 Q CA -1.177 54.657 55.803 0.051 0.000 0.797 486 Q CB 2.578 31.319 28.738 0.005 0.000 1.466 486 Q HN 0.357 nan 8.270 nan 0.000 0.436 487 I N 1.848 122.345 120.570 -0.122 0.000 2.529 487 I HA 0.064 4.234 4.170 0.000 0.000 0.284 487 I C 0.140 176.030 176.117 -0.378 0.000 1.082 487 I CA -0.132 61.043 61.300 -0.208 0.000 1.406 487 I CB 0.509 38.403 38.000 -0.177 0.000 1.405 487 I HN 0.594 nan 8.210 nan 0.000 0.548 488 E N 8.503 128.372 120.200 -0.552 0.000 2.585 488 E HA -0.053 4.297 4.350 0.000 0.000 0.252 488 E C -1.362 174.575 176.600 -1.104 0.000 0.981 488 E CA -0.736 55.015 56.400 -1.082 0.000 0.943 488 E CB 0.034 28.851 29.700 -1.473 0.000 0.923 488 E HN 0.376 nan 8.360 nan 0.000 0.486 489 P HA -0.199 nan 4.420 nan 0.000 0.216 489 P C 0.748 177.484 177.300 -0.941 0.000 1.150 489 P CA 1.396 63.892 63.100 -1.007 0.000 0.843 489 P CB -0.128 30.728 31.700 -1.408 0.000 0.787 490 W N 0.811 121.594 121.300 -0.861 0.000 2.721 490 W HA 0.159 4.819 4.660 0.000 0.000 0.245 490 W C 1.520 178.014 176.519 -0.041 0.000 1.276 490 W CA 0.323 57.455 57.345 -0.355 0.000 1.342 490 W CB -1.245 28.182 29.460 -0.055 0.000 1.135 490 W HN -0.073 nan 8.180 nan 0.000 0.654 491 K N 0.139 120.390 120.400 -0.249 0.000 2.308 491 K HA 0.057 4.378 4.320 0.000 0.000 0.197 491 K C 2.001 178.565 176.600 -0.061 0.000 1.049 491 K CA 1.471 57.701 56.287 -0.094 0.000 0.991 491 K CB 0.029 32.406 32.500 -0.204 0.000 0.836 491 K HN 0.272 nan 8.250 nan 0.000 0.500 492 T N -2.684 111.798 114.554 -0.120 0.000 3.000 492 T HA 0.010 4.360 4.350 0.000 0.000 0.248 492 T C 0.615 175.297 174.700 -0.030 0.000 1.034 492 T CA -0.193 61.862 62.100 -0.075 0.000 1.060 492 T CB -0.311 68.491 68.868 -0.111 0.000 0.983 492 T HN 0.084 nan 8.240 nan 0.000 0.482 493 H N 1.838 120.830 119.070 -0.129 0.000 3.034 493 H HA 0.320 4.876 4.556 0.000 0.000 0.324 493 H C -0.323 174.930 175.328 -0.125 0.000 1.015 493 H CA -0.609 55.355 56.048 -0.139 0.000 1.429 493 H CB -0.096 29.581 29.762 -0.142 0.000 1.429 493 H HN 0.356 nan 8.280 nan 0.000 0.585 494 I N 6.513 126.662 120.570 -0.702 0.000 2.306 494 I HA 0.065 4.235 4.170 0.000 0.000 0.288 494 I C -0.250 175.434 176.117 -0.721 0.000 1.036 494 I CA -0.628 60.393 61.300 -0.464 0.000 1.221 494 I CB 0.273 38.138 38.000 -0.226 0.000 1.385 494 I HN 0.529 nan 8.210 nan 0.000 0.472 495 W N 4.359 125.430 121.300 -0.382 0.000 2.193 495 W HA 0.245 4.905 4.660 0.000 0.000 0.338 495 W C 1.450 177.917 176.519 -0.086 0.000 1.310 495 W CA 0.228 57.478 57.345 -0.158 0.000 1.243 495 W CB 0.394 29.866 29.460 0.019 0.000 1.165 495 W HN 0.674 nan 8.180 nan 0.000 0.566 496 Q N 2.025 121.954 119.800 0.215 0.000 2.063 496 Q HA 0.111 4.451 4.340 0.000 0.000 0.194 496 Q C 0.849 176.932 176.000 0.137 0.000 0.974 496 Q CA 1.583 57.462 55.803 0.125 0.000 0.827 496 Q CB -1.128 27.666 28.738 0.094 0.000 0.902 496 Q HN 0.701 nan 8.270 nan 0.000 0.462 497 N N 0.000 118.799 118.700 0.166 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.112 53.050 0.103 0.000 0.885 497 N CB 0.000 38.527 38.487 0.067 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667