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 2fc2_1_A DATA FIRST_RESID -2 DATA SEQUENCE SHMEILWNEA KAFIAECYQE LGKEEEVKDR LDSIKSEIDL TGSYVHTKEE DATA SEQUENCE LEHGAKMAWR NSNRCIGRLF WNSLNVIDRR DVRTKEDVRD ALFHHIETAT DATA SEQUENCE NNGKIRPSIT IFPPEEKGEK QVEIWNHQLI RYAGYEAAGE RIGDPASCSL DATA SEQUENCE TAACEQLGWR GERTDFDLLP LIFRMKGDEQ PVWYELPRSL VIEVPITHPD DATA SEQUENCE IEAFSDLELK WYGVPIISDM KLEVGGIHYN AAPFNGWYMG TEIGARNLAD DATA SEQUENCE EKRYDKLKKV ASVIGISTNY NTDLWKDQAL VELNKAVLYS YKKQGVSIVD DATA SEQUENCE HHTAASQFKR FEEQEEEAGR KLTGDWTWLI PPISPAATHI FHRSYDNSIV DATA SEQUENCE KPNYFYQDKP YE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.536 174.600 -0.106 0.000 1.055 -2 S CA 0.000 58.133 58.200 -0.111 0.000 1.107 -2 S CB 0.000 63.089 63.200 -0.185 0.000 0.593 -1 H N 0.654 119.740 119.070 0.027 0.000 2.428 -1 H HA 0.073 4.634 4.556 0.008 0.000 0.296 -1 H C 2.518 177.882 175.328 0.059 0.000 1.062 -1 H CA 1.746 57.816 56.048 0.036 0.000 1.350 -1 H CB -0.298 29.474 29.762 0.018 0.000 1.403 -1 H HN 0.668 nan 8.280 nan 0.000 0.533 0 M N 0.889 120.583 119.600 0.157 0.000 2.254 0 M HA 0.000 4.485 4.480 0.008 0.000 0.265 0 M C 2.386 178.767 176.300 0.136 0.000 1.066 0 M CA 2.194 57.566 55.300 0.121 0.000 1.123 0 M CB -1.539 31.101 32.600 0.065 0.000 1.388 0 M HN 0.555 nan 8.290 nan 0.000 0.425 1 E N 0.551 120.820 120.200 0.116 0.000 2.028 1 E HA -0.057 4.298 4.350 0.008 0.000 0.190 1 E C 1.876 178.576 176.600 0.167 0.000 0.984 1 E CA 1.470 57.955 56.400 0.140 0.000 0.800 1 E CB -0.581 29.169 29.700 0.082 0.000 0.758 1 E HN 0.725 nan 8.360 nan 0.000 0.448 2 I N 0.497 121.142 120.570 0.125 0.000 2.208 2 I HA -0.196 3.979 4.170 0.008 0.000 0.245 2 I C 2.683 178.893 176.117 0.156 0.000 1.097 2 I CA 1.232 62.603 61.300 0.119 0.000 1.363 2 I CB -0.916 37.149 38.000 0.108 0.000 1.051 2 I HN 0.329 nan 8.210 nan 0.000 0.413 3 L N 0.402 121.746 121.223 0.201 0.000 2.042 3 L HA -0.225 4.119 4.340 0.008 0.000 0.210 3 L C 2.452 179.496 176.870 0.290 0.000 1.076 3 L CA 1.853 56.836 54.840 0.238 0.000 0.749 3 L CB -0.854 41.352 42.059 0.244 0.000 0.893 3 L HN 0.390 nan 8.230 nan 0.000 0.432 4 W N 0.004 121.336 121.300 0.053 0.000 2.358 4 W HA -0.252 4.412 4.660 0.007 0.000 0.303 4 W C 2.158 178.688 176.519 0.019 0.000 1.208 4 W CA 1.109 58.462 57.345 0.013 0.000 1.274 4 W CB -0.064 29.396 29.460 0.000 0.000 1.138 4 W HN 0.308 nan 8.180 nan 0.000 0.515 5 N N 0.848 119.546 118.700 -0.004 0.000 2.025 5 N HA -0.217 4.527 4.740 0.008 0.000 0.194 5 N C 1.421 176.860 175.510 -0.118 0.000 1.044 5 N CA 2.027 54.994 53.050 -0.139 0.000 0.851 5 N CB -1.036 37.435 38.487 -0.026 0.000 1.036 5 N HN 0.220 nan 8.380 nan 0.000 0.422 6 E N 0.795 120.996 120.200 0.001 0.000 2.204 6 E HA -0.080 4.275 4.350 0.008 0.000 0.195 6 E C 1.718 178.373 176.600 0.092 0.000 0.990 6 E CA 0.696 57.125 56.400 0.048 0.000 0.821 6 E CB -0.208 29.536 29.700 0.074 0.000 0.750 6 E HN 0.379 nan 8.360 nan 0.000 0.477 7 A N 1.384 124.237 122.820 0.055 0.000 1.970 7 A HA -0.105 4.219 4.320 0.008 0.000 0.216 7 A C 2.065 179.588 177.584 -0.103 0.000 1.170 7 A CA 0.913 52.993 52.037 0.072 0.000 0.645 7 A CB -0.124 18.874 19.000 -0.003 0.000 0.816 7 A HN 0.067 nan 8.150 nan 0.000 0.447 8 K N -0.146 120.041 120.400 -0.355 0.000 2.057 8 K HA -0.030 4.294 4.320 0.008 0.000 0.206 8 K C 2.282 178.759 176.600 -0.204 0.000 1.050 8 K CA 1.140 57.166 56.287 -0.436 0.000 0.935 8 K CB -0.256 31.861 32.500 -0.638 0.000 0.715 8 K HN 0.418 nan 8.250 nan 0.000 0.439 9 A N 0.857 123.612 122.820 -0.109 0.000 1.929 9 A HA -0.135 4.190 4.320 0.008 0.000 0.216 9 A C 1.961 179.565 177.584 0.034 0.000 1.176 9 A CA 0.925 52.941 52.037 -0.035 0.000 0.628 9 A CB -0.566 18.432 19.000 -0.003 0.000 0.816 9 A HN 0.330 nan 8.150 nan 0.000 0.444 10 F N 0.983 120.928 119.950 -0.009 0.000 2.075 10 F HA -0.151 4.380 4.527 0.007 0.000 0.297 10 F C 1.966 177.814 175.800 0.081 0.000 1.113 10 F CA 1.396 59.431 58.000 0.058 0.000 1.218 10 F CB -0.171 38.903 39.000 0.123 0.000 0.984 10 F HN 0.125 nan 8.300 nan 0.000 0.472 11 I N 0.934 121.413 120.570 -0.152 0.000 2.163 11 I HA -0.307 3.868 4.170 0.008 0.000 0.243 11 I C 2.730 178.695 176.117 -0.252 0.000 1.085 11 I CA 1.575 62.720 61.300 -0.259 0.000 1.347 11 I CB -2.132 35.735 38.000 -0.221 0.000 1.044 11 I HN 0.285 nan 8.210 nan 0.000 0.408 12 A N 0.245 122.954 122.820 -0.186 0.000 1.858 12 A HA -0.247 4.078 4.320 0.008 0.000 0.216 12 A C 2.391 179.927 177.584 -0.080 0.000 1.190 12 A CA 1.843 53.806 52.037 -0.123 0.000 0.617 12 A CB -0.750 18.187 19.000 -0.106 0.000 0.827 12 A HN 0.487 nan 8.150 nan 0.000 0.443 13 E N -0.814 119.326 120.200 -0.101 0.000 2.077 13 E HA -0.220 4.134 4.350 0.008 0.000 0.193 13 E C 2.106 178.659 176.600 -0.078 0.000 0.989 13 E CA 1.360 57.717 56.400 -0.071 0.000 0.800 13 E CB -0.291 29.381 29.700 -0.047 0.000 0.746 13 E HN 0.636 nan 8.360 nan 0.000 0.452 14 C N 0.007 119.184 119.300 -0.205 0.000 2.453 14 C HA -0.128 4.337 4.460 0.008 0.000 0.277 14 C C 2.444 177.408 174.990 -0.043 0.000 1.262 14 C CA 0.705 59.622 59.018 -0.170 0.000 1.718 14 C CB -1.224 26.189 27.740 -0.546 0.000 2.031 14 C HN 0.551 nan 8.230 nan 0.000 0.480 15 Y N 1.271 121.451 120.300 -0.199 0.000 2.421 15 Y HA -0.013 4.542 4.550 0.008 0.000 0.292 15 Y C 2.905 178.745 175.900 -0.102 0.000 1.136 15 Y CA 1.698 59.719 58.100 -0.132 0.000 1.255 15 Y CB -1.135 37.266 38.460 -0.098 0.000 0.991 15 Y HN 0.622 nan 8.280 nan 0.000 0.552 16 Q N 0.615 120.445 119.800 0.049 0.000 2.083 16 Q HA -0.166 4.178 4.340 0.008 0.000 0.198 16 Q C 1.969 177.964 176.000 -0.008 0.000 0.969 16 Q CA 1.724 57.535 55.803 0.013 0.000 0.838 16 Q CB -0.766 27.973 28.738 0.002 0.000 0.900 16 Q HN 0.640 nan 8.270 nan 0.000 0.436 17 E N 0.092 120.286 120.200 -0.011 0.000 2.150 17 E HA -0.007 4.347 4.350 0.008 0.000 0.193 17 E C 1.922 178.484 176.600 -0.064 0.000 0.985 17 E CA 0.981 57.385 56.400 0.007 0.000 0.814 17 E CB 0.004 29.768 29.700 0.108 0.000 0.752 17 E HN 0.590 nan 8.360 nan 0.000 0.466 18 L N -0.425 120.701 121.223 -0.161 0.000 2.558 18 L HA 0.134 4.478 4.340 0.008 0.000 0.225 18 L C 1.138 177.925 176.870 -0.138 0.000 1.128 18 L CA 0.247 54.953 54.840 -0.224 0.000 0.868 18 L CB -0.024 41.809 42.059 -0.376 0.000 1.006 18 L HN 0.200 nan 8.230 nan 0.000 0.454 19 G N 1.420 110.173 108.800 -0.079 0.000 2.272 19 G HA2 -0.294 3.670 3.960 0.008 0.000 0.280 19 G HA3 -0.294 3.670 3.960 0.008 0.000 0.280 19 G C 0.350 175.228 174.900 -0.036 0.000 1.067 19 G CA 0.165 45.239 45.100 -0.043 0.000 0.902 19 G HN 0.467 nan 8.290 nan 0.000 0.500 20 K N -0.752 119.638 120.400 -0.016 0.000 2.972 20 K HA 0.466 4.790 4.320 0.008 0.000 0.209 20 K C 1.601 178.307 176.600 0.177 0.000 1.128 20 K CA 0.477 56.792 56.287 0.046 0.000 1.024 20 K CB 0.392 32.850 32.500 -0.069 0.000 0.754 20 K HN 0.427 nan 8.250 nan 0.000 0.454 21 E N 1.505 121.763 120.200 0.098 0.000 2.267 21 E HA -0.224 4.131 4.350 0.008 0.000 0.197 21 E C 1.417 178.049 176.600 0.053 0.000 0.998 21 E CA 1.649 58.093 56.400 0.074 0.000 0.830 21 E CB -0.545 29.173 29.700 0.031 0.000 0.751 21 E HN 0.463 nan 8.360 nan 0.000 0.491 22 E N 0.651 120.887 120.200 0.059 0.000 2.047 22 E HA -0.109 4.245 4.350 0.008 0.000 0.191 22 E C 1.964 178.591 176.600 0.044 0.000 0.987 22 E CA 1.349 57.773 56.400 0.041 0.000 0.799 22 E CB -0.160 29.563 29.700 0.039 0.000 0.752 22 E HN 0.741 nan 8.360 nan 0.000 0.449 23 E N 0.733 120.990 120.200 0.095 0.000 2.472 23 E HA -0.072 4.282 4.350 0.008 0.000 0.200 23 E C 1.734 178.305 176.600 -0.047 0.000 1.046 23 E CA 0.288 56.742 56.400 0.091 0.000 0.871 23 E CB 0.056 29.901 29.700 0.242 0.000 0.806 23 E HN 0.061 nan 8.360 nan 0.000 0.533 24 V N 1.841 121.696 119.914 -0.099 0.000 2.287 24 V HA -0.343 3.781 4.120 0.008 0.000 0.248 24 V C 2.729 178.732 176.094 -0.153 0.000 1.053 24 V CA 2.554 64.709 62.300 -0.241 0.000 1.027 24 V CB -0.914 30.809 31.823 -0.166 0.000 0.646 24 V HN 0.426 nan 8.190 nan 0.000 0.447 25 K N 0.352 120.708 120.400 -0.074 0.000 2.044 25 K HA -0.328 3.997 4.320 0.008 0.000 0.210 25 K C 1.660 178.245 176.600 -0.025 0.000 1.049 25 K CA 2.419 58.683 56.287 -0.039 0.000 0.927 25 K CB -1.224 31.266 32.500 -0.017 0.000 0.713 25 K HN 0.738 nan 8.250 nan 0.000 0.443 26 D N -0.854 119.532 120.400 -0.023 0.000 2.077 26 D HA -0.069 4.575 4.640 0.008 0.000 0.196 26 D C 2.163 178.457 176.300 -0.010 0.000 0.986 26 D CA 1.288 55.285 54.000 -0.006 0.000 0.829 26 D CB -0.156 40.650 40.800 0.010 0.000 0.983 26 D HN 0.374 nan 8.370 nan 0.000 0.453 27 R N 0.877 121.353 120.500 -0.040 0.000 2.103 27 R HA -0.095 4.250 4.340 0.008 0.000 0.242 27 R C 1.972 178.255 176.300 -0.029 0.000 1.142 27 R CA 1.155 57.231 56.100 -0.041 0.000 0.960 27 R CB -0.819 29.404 30.300 -0.127 0.000 0.858 27 R HN 0.241 nan 8.270 nan 0.000 0.439 28 L N 0.149 121.349 121.223 -0.038 0.000 2.131 28 L HA -0.190 4.154 4.340 0.008 0.000 0.210 28 L C 1.537 178.501 176.870 0.157 0.000 1.092 28 L CA 1.495 56.373 54.840 0.063 0.000 0.759 28 L CB -0.459 41.620 42.059 0.033 0.000 0.903 28 L HN 0.261 nan 8.230 nan 0.000 0.435 29 D N -0.934 119.509 120.400 0.072 0.000 2.183 29 D HA -0.115 4.530 4.640 0.008 0.000 0.203 29 D C 2.359 178.656 176.300 -0.004 0.000 0.969 29 D CA 1.012 55.034 54.000 0.037 0.000 0.842 29 D CB 0.084 40.895 40.800 0.019 0.000 0.957 29 D HN 0.144 nan 8.370 nan 0.000 0.484 30 S N 0.195 115.899 115.700 0.006 0.000 2.371 30 S HA 0.019 4.493 4.470 0.008 0.000 0.224 30 S C 2.171 176.762 174.600 -0.016 0.000 1.029 30 S CA 0.236 58.436 58.200 0.001 0.000 0.978 30 S CB 0.063 63.278 63.200 0.025 0.000 0.833 30 S HN 0.234 nan 8.310 nan 0.000 0.466 31 I N 1.478 122.037 120.570 -0.019 0.000 2.226 31 I HA -0.197 3.977 4.170 0.008 0.000 0.245 31 I C 2.505 178.545 176.117 -0.127 0.000 1.100 31 I CA 1.129 62.379 61.300 -0.084 0.000 1.374 31 I CB -0.277 37.599 38.000 -0.206 0.000 1.057 31 I HN 0.182 nan 8.210 nan 0.000 0.413 32 K N 1.403 121.683 120.400 -0.199 0.000 2.032 32 K HA -0.145 4.179 4.320 0.008 0.000 0.209 32 K C 2.113 178.513 176.600 -0.333 0.000 1.048 32 K CA 2.059 58.012 56.287 -0.557 0.000 0.927 32 K CB -0.456 31.621 32.500 -0.705 0.000 0.712 32 K HN 0.132 nan 8.250 nan 0.000 0.441 33 S N 0.472 116.060 115.700 -0.187 0.000 2.382 33 S HA -0.123 4.352 4.470 0.008 0.000 0.228 33 S C 1.844 176.393 174.600 -0.086 0.000 1.027 33 S CA 1.312 59.438 58.200 -0.123 0.000 0.991 33 S CB -0.271 62.885 63.200 -0.073 0.000 0.823 33 S HN 0.456 nan 8.310 nan 0.000 0.469 34 E N 0.827 120.992 120.200 -0.058 0.000 2.072 34 E HA -0.076 4.279 4.350 0.008 0.000 0.191 34 E C 1.861 178.456 176.600 -0.009 0.000 0.985 34 E CA 0.853 57.248 56.400 -0.008 0.000 0.801 34 E CB -0.125 29.603 29.700 0.047 0.000 0.750 34 E HN 0.479 nan 8.360 nan 0.000 0.452 35 I N 1.380 121.925 120.570 -0.042 0.000 2.286 35 I HA -0.251 3.924 4.170 0.008 0.000 0.248 35 I C 1.595 177.677 176.117 -0.058 0.000 1.115 35 I CA 0.939 62.221 61.300 -0.031 0.000 1.392 35 I CB -0.214 37.743 38.000 -0.073 0.000 1.065 35 I HN 0.070 nan 8.210 nan 0.000 0.418 36 D N 0.611 120.950 120.400 -0.101 0.000 2.234 36 D HA -0.072 4.572 4.640 0.008 0.000 0.205 36 D C 2.188 178.458 176.300 -0.050 0.000 0.962 36 D CA 0.868 54.815 54.000 -0.088 0.000 0.855 36 D CB 0.054 40.785 40.800 -0.115 0.000 0.951 36 D HN 0.306 nan 8.370 nan 0.000 0.500 37 L N 0.400 121.599 121.223 -0.040 0.000 2.084 37 L HA -0.095 4.249 4.340 0.008 0.000 0.202 37 L C 2.288 179.152 176.870 -0.010 0.000 1.074 37 L CA 1.612 56.439 54.840 -0.022 0.000 0.757 37 L CB -0.083 41.966 42.059 -0.017 0.000 0.918 37 L HN 0.135 nan 8.230 nan 0.000 0.444 38 T N -5.401 109.152 114.554 -0.001 0.000 3.038 38 T HA 0.268 4.623 4.350 0.008 0.000 0.244 38 T C 1.224 175.928 174.700 0.007 0.000 1.016 38 T CA 0.544 62.647 62.100 0.005 0.000 1.098 38 T CB 0.837 69.713 68.868 0.012 0.000 0.954 38 T HN 0.398 nan 8.240 nan 0.000 0.469 39 G N 0.053 108.862 108.800 0.015 0.000 2.141 39 G HA2 0.122 4.086 3.960 0.008 0.000 0.164 39 G HA3 0.122 4.086 3.960 0.008 0.000 0.164 39 G C -0.015 174.912 174.900 0.045 0.000 1.009 39 G CA 0.203 45.318 45.100 0.024 0.000 0.677 39 G HN 1.073 nan 8.290 nan 0.000 0.508 40 S N -1.577 114.163 115.700 0.066 0.000 2.656 40 S HA 0.706 5.181 4.470 0.008 0.000 0.265 40 S C -1.453 173.243 174.600 0.160 0.000 1.110 40 S CA 0.074 58.331 58.200 0.096 0.000 0.821 40 S CB 0.846 64.045 63.200 -0.002 0.000 1.099 40 S HN 1.822 nan 8.310 nan 0.000 0.471 41 Y N -0.670 119.600 120.300 -0.050 0.000 2.609 41 Y HA 0.866 5.421 4.550 0.008 0.000 0.342 41 Y C -1.346 174.493 175.900 -0.102 0.000 1.058 41 Y CA -1.193 56.872 58.100 -0.058 0.000 1.055 41 Y CB 0.784 39.222 38.460 -0.037 0.000 1.292 41 Y HN 0.356 nan 8.280 nan 0.000 0.476 42 V N 3.643 123.560 119.914 0.005 0.000 2.384 42 V HA 0.265 4.390 4.120 0.008 0.000 0.287 42 V C -0.130 175.992 176.094 0.047 0.000 1.020 42 V CA -0.727 61.542 62.300 -0.052 0.000 0.850 42 V CB 0.453 32.302 31.823 0.043 0.000 0.987 42 V HN 0.801 nan 8.190 nan 0.000 0.436 43 H N 2.644 121.765 119.070 0.085 0.000 2.790 43 H HA 0.200 4.761 4.556 0.007 0.000 0.358 43 H C 0.792 176.232 175.328 0.186 0.000 1.103 43 H CA 0.368 56.533 56.048 0.195 0.000 1.426 43 H CB 1.367 31.237 29.762 0.181 0.000 1.424 43 H HN 0.818 nan 8.280 nan 0.000 0.599 44 T N -0.716 114.058 114.554 0.366 0.000 2.788 44 T HA 0.136 4.491 4.350 0.008 0.000 0.280 44 T C 1.436 176.254 174.700 0.197 0.000 0.984 44 T CA -0.823 61.421 62.100 0.241 0.000 0.972 44 T CB 1.236 70.239 68.868 0.226 0.000 1.039 44 T HN 0.498 nan 8.240 nan 0.000 0.530 45 K N 0.006 120.485 120.400 0.133 0.000 2.097 45 K HA -0.133 4.192 4.320 0.008 0.000 0.206 45 K C 2.337 178.991 176.600 0.089 0.000 1.049 45 K CA 1.644 57.988 56.287 0.095 0.000 0.933 45 K CB -0.142 32.398 32.500 0.066 0.000 0.717 45 K HN 0.841 nan 8.250 nan 0.000 0.442 46 E N 1.256 121.507 120.200 0.086 0.000 2.072 46 E HA -0.213 4.142 4.350 0.008 0.000 0.191 46 E C 1.561 178.229 176.600 0.115 0.000 0.985 46 E CA 1.228 57.665 56.400 0.062 0.000 0.801 46 E CB 0.169 29.866 29.700 -0.005 0.000 0.750 46 E HN 0.295 nan 8.360 nan 0.000 0.452 47 E N 0.225 120.532 120.200 0.178 0.000 2.077 47 E HA -0.198 4.157 4.350 0.008 0.000 0.193 47 E C 2.119 178.820 176.600 0.169 0.000 0.989 47 E CA 0.990 57.560 56.400 0.283 0.000 0.800 47 E CB -0.070 29.909 29.700 0.464 0.000 0.746 47 E HN 0.208 nan 8.360 nan 0.000 0.452 48 L N 1.387 122.638 121.223 0.046 0.000 2.109 48 L HA -0.111 4.234 4.340 0.008 0.000 0.207 48 L C 2.175 179.021 176.870 -0.040 0.000 1.086 48 L CA 1.745 56.523 54.840 -0.104 0.000 0.760 48 L CB -0.299 41.717 42.059 -0.072 0.000 0.910 48 L HN 0.058 nan 8.230 nan 0.000 0.437 49 E N -1.454 118.772 120.200 0.042 0.000 2.051 49 E HA -0.329 4.026 4.350 0.008 0.000 0.192 49 E C 2.118 178.794 176.600 0.127 0.000 0.991 49 E CA 1.441 57.881 56.400 0.066 0.000 0.799 49 E CB -0.149 29.599 29.700 0.079 0.000 0.748 49 E HN 0.671 nan 8.360 nan 0.000 0.449 50 H N -0.817 118.304 119.070 0.085 0.000 2.462 50 H HA 0.055 4.615 4.556 0.007 0.000 0.292 50 H C 1.762 177.196 175.328 0.176 0.000 1.049 50 H CA 1.572 57.701 56.048 0.136 0.000 1.334 50 H CB -0.233 29.596 29.762 0.112 0.000 1.404 50 H HN 0.255 nan 8.280 nan 0.000 0.544 51 G N -0.323 108.583 108.800 0.178 0.000 2.408 51 G HA2 -0.224 3.741 3.960 0.008 0.000 0.217 51 G HA3 -0.224 3.741 3.960 0.008 0.000 0.217 51 G C 1.843 176.707 174.900 -0.061 0.000 1.150 51 G CA 0.651 45.804 45.100 0.087 0.000 0.776 51 G HN 0.530 nan 8.290 nan 0.000 0.542 52 A N 0.537 123.319 122.820 -0.062 0.000 2.014 52 A HA 0.101 4.425 4.320 0.008 0.000 0.218 52 A C 2.281 179.925 177.584 0.100 0.000 1.163 52 A CA 1.707 53.725 52.037 -0.031 0.000 0.652 52 A CB -0.217 18.778 19.000 -0.008 0.000 0.808 52 A HN 0.377 nan 8.150 nan 0.000 0.449 53 K N -0.795 119.670 120.400 0.109 0.000 2.062 53 K HA 0.013 4.337 4.320 0.008 0.000 0.205 53 K C 2.031 178.732 176.600 0.169 0.000 1.051 53 K CA 1.495 57.927 56.287 0.242 0.000 0.941 53 K CB -0.266 32.363 32.500 0.215 0.000 0.719 53 K HN 0.467 nan 8.250 nan 0.000 0.440 54 M N 0.503 120.080 119.600 -0.038 0.000 2.159 54 M HA -0.147 4.338 4.480 0.008 0.000 0.263 54 M C 2.415 178.662 176.300 -0.090 0.000 1.063 54 M CA 1.520 56.739 55.300 -0.134 0.000 1.110 54 M CB -0.369 32.184 32.600 -0.080 0.000 1.374 54 M HN 0.200 nan 8.290 nan 0.000 0.411 55 A N -0.270 122.508 122.820 -0.071 0.000 1.933 55 A HA -0.211 4.114 4.320 0.008 0.000 0.218 55 A C 1.888 179.524 177.584 0.086 0.000 1.175 55 A CA 1.361 53.303 52.037 -0.158 0.000 0.628 55 A CB -1.046 17.624 19.000 -0.550 0.000 0.814 55 A HN 0.761 nan 8.150 nan 0.000 0.444 56 W N 0.872 122.191 121.300 0.032 0.000 2.381 56 W HA -0.076 4.588 4.660 0.007 0.000 0.301 56 W C 2.255 178.721 176.519 -0.088 0.000 1.205 56 W CA 1.325 58.676 57.345 0.009 0.000 1.285 56 W CB -0.642 28.820 29.460 0.002 0.000 1.133 56 W HN 0.362 nan 8.180 nan 0.000 0.521 57 R N 0.382 120.843 120.500 -0.066 0.000 2.159 57 R HA -0.157 4.188 4.340 0.008 0.000 0.237 57 R C 1.221 177.443 176.300 -0.130 0.000 1.131 57 R CA 1.600 57.513 56.100 -0.311 0.000 0.982 57 R CB -0.431 29.457 30.300 -0.687 0.000 0.868 57 R HN 0.070 nan 8.270 nan 0.000 0.453 58 N N -0.198 118.453 118.700 -0.081 0.000 2.280 58 N HA 0.025 4.769 4.740 0.008 0.000 0.192 58 N C -0.598 174.880 175.510 -0.054 0.000 1.109 58 N CA 0.231 53.245 53.050 -0.061 0.000 0.855 58 N CB 0.945 39.381 38.487 -0.085 0.000 0.974 58 N HN -0.055 nan 8.380 nan 0.000 0.482 59 S N 2.044 117.732 115.700 -0.020 0.000 2.700 59 S HA 0.114 4.589 4.470 0.008 0.000 0.321 59 S C 1.116 175.678 174.600 -0.062 0.000 1.161 59 S CA -0.479 57.691 58.200 -0.050 0.000 1.078 59 S CB 0.127 63.336 63.200 0.015 0.000 1.302 59 S HN 0.195 nan 8.310 nan 0.000 0.540 60 N N 3.400 122.045 118.700 -0.091 0.000 2.184 60 N HA -0.162 4.582 4.740 0.008 0.000 0.190 60 N C 1.418 176.860 175.510 -0.114 0.000 1.011 60 N CA 1.353 54.359 53.050 -0.073 0.000 0.867 60 N CB -0.063 38.375 38.487 -0.082 0.000 0.993 60 N HN 0.536 nan 8.380 nan 0.000 0.433 61 R N -1.094 119.300 120.500 -0.176 0.000 2.297 61 R HA 0.174 4.519 4.340 0.008 0.000 0.197 61 R C 0.024 176.295 176.300 -0.049 0.000 0.943 61 R CA -0.075 55.936 56.100 -0.149 0.000 1.038 61 R CB 0.027 30.080 30.300 -0.413 0.000 0.957 61 R HN 0.093 nan 8.270 nan 0.000 0.484 62 C N 0.888 120.140 119.300 -0.080 0.000 2.285 62 C HA 0.292 4.756 4.460 0.008 0.000 0.335 62 C C 1.786 176.652 174.990 -0.206 0.000 1.267 62 C CA -0.829 58.151 59.018 -0.063 0.000 1.762 62 C CB -0.461 27.304 27.740 0.042 0.000 2.365 62 C HN 0.538 nan 8.230 nan 0.000 0.527 63 I N 4.218 124.630 120.570 -0.263 0.000 3.251 63 I HA 0.157 4.332 4.170 0.008 0.000 0.277 63 I C 1.793 177.790 176.117 -0.200 0.000 1.268 63 I CA 1.062 62.073 61.300 -0.481 0.000 1.449 63 I CB 0.059 37.820 38.000 -0.398 0.000 1.083 63 I HN 0.908 nan 8.210 nan 0.000 0.464 64 G N 0.200 108.967 108.800 -0.055 0.000 3.371 64 G HA2 0.048 4.013 3.960 0.008 0.000 0.248 64 G HA3 0.048 4.013 3.960 0.008 0.000 0.248 64 G C 1.180 176.040 174.900 -0.065 0.000 1.161 64 G CA -0.388 44.740 45.100 0.048 0.000 0.796 64 G HN 0.278 nan 8.290 nan 0.000 0.539 65 R N -0.370 119.924 120.500 -0.343 0.000 2.377 65 R HA 0.000 4.345 4.340 0.008 0.000 0.207 65 R C 2.029 177.729 176.300 -1.000 0.000 1.075 65 R CA 0.101 55.654 56.100 -0.912 0.000 1.035 65 R CB -0.114 29.480 30.300 -1.178 0.000 0.857 65 R HN 0.369 nan 8.270 nan 0.000 0.475 66 L N -0.135 120.686 121.223 -0.669 0.000 2.141 66 L HA -0.071 4.273 4.340 0.008 0.000 0.209 66 L C 0.854 177.363 176.870 -0.601 0.000 1.094 66 L CA 1.669 56.203 54.840 -0.510 0.000 0.763 66 L CB -0.029 41.625 42.059 -0.675 0.000 0.908 66 L HN -0.007 nan 8.230 nan 0.000 0.437 67 F N -0.607 119.184 119.950 -0.265 0.000 2.660 67 F HA 0.063 4.595 4.527 0.009 0.000 0.297 67 F C 1.601 177.049 175.800 -0.587 0.000 1.132 67 F CA -0.563 57.266 58.000 -0.284 0.000 1.372 67 F CB -1.079 37.897 39.000 -0.041 0.000 1.003 67 F HN 0.300 nan 8.300 nan 0.000 0.524 68 W N 0.324 121.138 121.300 -0.809 0.000 2.325 68 W HA -0.282 4.383 4.660 0.009 0.000 0.299 68 W C 1.148 177.540 176.519 -0.212 0.000 1.215 68 W CA 1.471 58.291 57.345 -0.874 0.000 1.244 68 W CB -1.027 27.992 29.460 -0.734 0.000 1.140 68 W HN 0.147 nan 8.180 nan 0.000 0.523 69 N N 1.257 119.289 118.700 -1.112 0.000 2.521 69 N HA -0.109 4.635 4.740 0.008 0.000 0.188 69 N C 1.521 176.862 175.510 -0.282 0.000 1.146 69 N CA 1.497 54.034 53.050 -0.856 0.000 0.893 69 N CB -0.337 37.425 38.487 -1.209 0.000 0.975 69 N HN 0.240 nan 8.380 nan 0.000 0.451 70 S N -0.947 114.685 115.700 -0.114 0.000 2.557 70 S HA 0.155 4.630 4.470 0.008 0.000 0.223 70 S C 0.419 175.098 174.600 0.131 0.000 0.969 70 S CA -0.646 57.572 58.200 0.031 0.000 0.927 70 S CB -0.262 62.986 63.200 0.081 0.000 0.806 70 S HN 0.177 nan 8.310 nan 0.000 0.489 71 L N 3.336 124.688 121.223 0.214 0.000 2.499 71 L HA 0.339 4.684 4.340 0.008 0.000 0.273 71 L C -0.041 176.894 176.870 0.107 0.000 1.195 71 L CA 0.260 55.241 54.840 0.234 0.000 0.882 71 L CB 0.056 42.315 42.059 0.333 0.000 1.133 71 L HN 0.270 nan 8.230 nan 0.000 0.483 72 N N 3.936 122.670 118.700 0.057 0.000 2.437 72 N HA 0.288 5.033 4.740 0.008 0.000 0.243 72 N C -1.384 174.120 175.510 -0.010 0.000 1.041 72 N CA -0.434 52.624 53.050 0.012 0.000 0.940 72 N CB 0.703 39.179 38.487 -0.019 0.000 1.133 72 N HN 0.391 nan 8.380 nan 0.000 0.506 73 V N 5.304 125.219 119.914 0.003 0.000 2.383 73 V HA 0.361 4.485 4.120 0.008 0.000 0.275 73 V C 0.464 176.543 176.094 -0.025 0.000 1.036 73 V CA -0.600 61.695 62.300 -0.009 0.000 0.889 73 V CB 0.645 32.472 31.823 0.008 0.000 0.985 73 V HN 0.550 nan 8.190 nan 0.000 0.459 74 I N 3.830 124.372 120.570 -0.047 0.000 2.328 74 I HA 0.294 4.468 4.170 0.008 0.000 0.287 74 I C -0.248 175.822 176.117 -0.078 0.000 1.012 74 I CA -0.365 60.905 61.300 -0.051 0.000 1.195 74 I CB 1.404 39.372 38.000 -0.054 0.000 1.350 74 I HN 0.527 nan 8.210 nan 0.000 0.464 75 D N 7.087 127.454 120.400 -0.056 0.000 2.352 75 D HA 0.147 4.792 4.640 0.008 0.000 0.245 75 D C 0.259 176.514 176.300 -0.075 0.000 1.224 75 D CA -0.033 53.934 54.000 -0.056 0.000 0.879 75 D CB 0.688 41.480 40.800 -0.013 0.000 1.057 75 D HN 0.295 nan 8.370 nan 0.000 0.491 76 R N 3.774 124.194 120.500 -0.133 0.000 2.748 76 R HA 0.182 4.527 4.340 0.008 0.000 0.395 76 R C 0.766 177.045 176.300 -0.036 0.000 1.128 76 R CA -0.204 55.815 56.100 -0.136 0.000 1.042 76 R CB 0.274 30.384 30.300 -0.316 0.000 1.392 76 R HN 0.392 nan 8.270 nan 0.000 0.582 77 R N 0.851 121.366 120.500 0.025 0.000 2.323 77 R HA -0.056 4.289 4.340 0.008 0.000 0.198 77 R C 0.668 177.016 176.300 0.080 0.000 0.988 77 R CA 0.937 57.092 56.100 0.091 0.000 1.041 77 R CB 0.167 30.535 30.300 0.113 0.000 0.926 77 R HN 0.234 nan 8.270 nan 0.000 0.476 78 D N 0.088 120.522 120.400 0.056 0.000 2.350 78 D HA -0.056 4.588 4.640 0.008 0.000 0.213 78 D C 0.827 177.161 176.300 0.056 0.000 1.031 78 D CA -0.084 53.945 54.000 0.048 0.000 0.861 78 D CB -0.228 40.589 40.800 0.028 0.000 0.926 78 D HN 0.015 nan 8.370 nan 0.000 0.520 79 V N -1.210 118.756 119.914 0.086 0.000 2.763 79 V HA 0.287 4.412 4.120 0.008 0.000 0.306 79 V C 0.834 176.972 176.094 0.074 0.000 1.059 79 V CA -0.310 62.046 62.300 0.093 0.000 1.138 79 V CB 1.355 33.279 31.823 0.170 0.000 0.940 79 V HN -0.046 nan 8.190 nan 0.000 0.489 80 R N 1.792 122.323 120.500 0.052 0.000 2.573 80 R HA 0.212 4.557 4.340 0.008 0.000 0.224 80 R C 0.828 177.152 176.300 0.040 0.000 0.904 80 R CA 0.837 56.963 56.100 0.043 0.000 0.995 80 R CB 0.298 30.618 30.300 0.033 0.000 1.430 80 R HN 0.946 nan 8.270 nan 0.000 0.631 81 T N -1.470 113.108 114.554 0.040 0.000 2.927 81 T HA 0.308 4.662 4.350 0.008 0.000 0.286 81 T C 1.047 175.792 174.700 0.076 0.000 1.040 81 T CA -0.726 61.403 62.100 0.049 0.000 1.010 81 T CB 2.575 71.463 68.868 0.034 0.000 1.177 81 T HN 0.074 nan 8.240 nan 0.000 0.546 82 K N 0.212 120.683 120.400 0.119 0.000 2.148 82 K HA -0.027 4.298 4.320 0.008 0.000 0.204 82 K C 1.551 178.256 176.600 0.175 0.000 1.050 82 K CA 1.259 57.697 56.287 0.250 0.000 0.942 82 K CB -0.199 32.442 32.500 0.235 0.000 0.724 82 K HN 0.565 nan 8.250 nan 0.000 0.446 83 E N 1.371 121.603 120.200 0.053 0.000 2.152 83 E HA -0.125 4.230 4.350 0.008 0.000 0.192 83 E C 1.519 178.071 176.600 -0.079 0.000 0.983 83 E CA 1.279 57.646 56.400 -0.056 0.000 0.818 83 E CB -0.070 29.603 29.700 -0.044 0.000 0.758 83 E HN 0.338 nan 8.360 nan 0.000 0.467 84 D N -0.268 120.117 120.400 -0.025 0.000 2.117 84 D HA -0.119 4.526 4.640 0.008 0.000 0.197 84 D C 1.937 178.222 176.300 -0.025 0.000 0.987 84 D CA 0.830 54.820 54.000 -0.018 0.000 0.829 84 D CB -0.200 40.611 40.800 0.019 0.000 0.961 84 D HN 0.036 nan 8.370 nan 0.000 0.460 85 V N 1.007 120.880 119.914 -0.067 0.000 2.295 85 V HA -0.207 3.917 4.120 0.008 0.000 0.246 85 V C 2.588 178.523 176.094 -0.264 0.000 1.049 85 V CA 1.570 63.743 62.300 -0.212 0.000 1.024 85 V CB -0.444 30.968 31.823 -0.686 0.000 0.648 85 V HN 0.154 nan 8.190 nan 0.000 0.447 86 R N 0.202 120.540 120.500 -0.271 0.000 2.083 86 R HA -0.215 4.130 4.340 0.008 0.000 0.237 86 R C 2.009 177.924 176.300 -0.643 0.000 1.137 86 R CA 2.279 58.079 56.100 -0.501 0.000 0.951 86 R CB -0.463 29.369 30.300 -0.780 0.000 0.851 86 R HN 0.518 nan 8.270 nan 0.000 0.434 87 D N 0.205 120.376 120.400 -0.383 0.000 2.144 87 D HA -0.113 4.532 4.640 0.008 0.000 0.200 87 D C 1.720 178.024 176.300 0.006 0.000 0.978 87 D CA 1.409 55.301 54.000 -0.180 0.000 0.833 87 D CB -0.204 40.541 40.800 -0.091 0.000 0.961 87 D HN 0.412 nan 8.370 nan 0.000 0.470 88 A N 0.696 123.528 122.820 0.019 0.000 1.898 88 A HA -0.073 4.251 4.320 0.008 0.000 0.216 88 A C 2.377 180.082 177.584 0.202 0.000 1.181 88 A CA 0.719 52.827 52.037 0.120 0.000 0.620 88 A CB -0.657 18.419 19.000 0.127 0.000 0.819 88 A HN 0.177 nan 8.150 nan 0.000 0.442 89 L N -1.640 119.676 121.223 0.155 0.000 2.093 89 L HA -0.118 4.227 4.340 0.008 0.000 0.208 89 L C 2.417 179.474 176.870 0.312 0.000 1.085 89 L CA 0.865 55.819 54.840 0.190 0.000 0.755 89 L CB -0.549 41.559 42.059 0.081 0.000 0.904 89 L HN 0.289 nan 8.230 nan 0.000 0.435 90 F N -0.425 119.579 119.950 0.090 0.000 2.171 90 F HA -0.224 4.304 4.527 0.003 0.000 0.300 90 F C 2.691 178.555 175.800 0.107 0.000 1.090 90 F CA 1.295 59.341 58.000 0.075 0.000 1.293 90 F CB -1.173 37.858 39.000 0.052 0.000 1.013 90 F HN 0.249 nan 8.300 nan 0.000 0.486 91 H N -1.288 117.924 119.070 0.237 0.000 2.423 91 H HA -0.171 4.384 4.556 -0.000 0.000 0.297 91 H C 2.428 177.824 175.328 0.114 0.000 1.075 91 H CA 1.585 57.712 56.048 0.130 0.000 1.342 91 H CB -0.227 29.580 29.762 0.075 0.000 1.395 91 H HN 0.183 nan 8.280 nan 0.000 0.530 92 H N 1.141 120.206 119.070 -0.008 0.000 2.321 92 H HA -0.090 4.472 4.556 0.010 0.000 0.300 92 H C 2.486 177.763 175.328 -0.084 0.000 1.087 92 H CA 1.628 57.630 56.048 -0.078 0.000 1.319 92 H CB -0.210 29.550 29.762 -0.003 0.000 1.379 92 H HN 0.391 nan 8.280 nan 0.000 0.501 93 I N 0.610 121.303 120.570 0.205 0.000 2.226 93 I HA -0.235 3.940 4.170 0.008 0.000 0.245 93 I C 2.736 178.865 176.117 0.020 0.000 1.100 93 I CA 1.522 62.888 61.300 0.110 0.000 1.374 93 I CB -0.289 37.746 38.000 0.059 0.000 1.057 93 I HN 0.351 nan 8.210 nan 0.000 0.413 94 E N 0.258 120.446 120.200 -0.020 0.000 2.047 94 E HA -0.252 4.103 4.350 0.008 0.000 0.191 94 E C 2.204 178.741 176.600 -0.105 0.000 0.987 94 E CA 1.818 58.185 56.400 -0.055 0.000 0.799 94 E CB -0.000 29.683 29.700 -0.028 0.000 0.752 94 E HN 0.295 nan 8.360 nan 0.000 0.449 95 T N -0.849 113.570 114.554 -0.226 0.000 2.904 95 T HA 0.020 4.374 4.350 0.008 0.000 0.267 95 T C 1.651 176.257 174.700 -0.158 0.000 1.059 95 T CA 1.218 63.178 62.100 -0.234 0.000 1.137 95 T CB -0.168 68.451 68.868 -0.414 0.000 0.879 95 T HN 0.283 nan 8.240 nan 0.000 0.467 96 A N 0.311 123.043 122.820 -0.148 0.000 1.929 96 A HA 0.030 4.354 4.320 0.008 0.000 0.216 96 A C 2.545 180.126 177.584 -0.006 0.000 1.176 96 A CA 2.018 54.009 52.037 -0.076 0.000 0.628 96 A CB -1.098 17.888 19.000 -0.022 0.000 0.816 96 A HN 0.529 nan 8.150 nan 0.000 0.444 97 T N -0.020 114.533 114.554 -0.002 0.000 2.708 97 T HA -0.124 4.231 4.350 0.008 0.000 0.266 97 T C 1.051 175.750 174.700 -0.002 0.000 1.037 97 T CA 1.370 63.478 62.100 0.014 0.000 1.146 97 T CB -0.434 68.438 68.868 0.007 0.000 0.865 97 T HN 0.647 nan 8.240 nan 0.000 0.435 98 N N 1.689 120.376 118.700 -0.022 0.000 2.699 98 N HA -0.244 4.501 4.740 0.008 0.000 0.256 98 N C -0.328 175.169 175.510 -0.022 0.000 0.993 98 N CA 0.893 53.927 53.050 -0.026 0.000 0.759 98 N CB -2.188 36.284 38.487 -0.026 0.000 0.906 98 N HN 0.639 nan 8.380 nan 0.000 0.541 99 N N -1.730 116.957 118.700 -0.021 0.000 2.681 99 N HA -0.259 4.485 4.740 0.008 0.000 0.250 99 N C 1.079 176.574 175.510 -0.026 0.000 1.133 99 N CA 1.308 54.344 53.050 -0.024 0.000 0.732 99 N CB -1.131 37.341 38.487 -0.025 0.000 1.107 99 N HN 0.933 nan 8.380 nan 0.000 0.559 100 G N -0.509 108.280 108.800 -0.018 0.000 2.541 100 G HA2 -0.274 3.690 3.960 0.008 0.000 0.201 100 G HA3 -0.274 3.690 3.960 0.008 0.000 0.201 100 G C -0.115 174.771 174.900 -0.024 0.000 1.026 100 G CA -0.035 45.053 45.100 -0.020 0.000 0.687 100 G HN 0.297 nan 8.290 nan 0.000 0.492 101 K N 1.941 122.318 120.400 -0.038 0.000 2.155 101 K HA 0.440 4.764 4.320 0.008 0.000 0.240 101 K C 0.526 177.107 176.600 -0.032 0.000 1.193 101 K CA -0.257 55.992 56.287 -0.062 0.000 1.104 101 K CB 0.147 32.608 32.500 -0.065 0.000 1.558 101 K HN 0.444 nan 8.250 nan 0.000 0.313 102 I N 2.139 122.709 120.570 -0.000 0.000 2.845 102 I HA -0.124 4.051 4.170 0.008 0.000 0.296 102 I C 0.704 176.893 176.117 0.120 0.000 1.216 102 I CA 0.624 61.972 61.300 0.081 0.000 1.438 102 I CB 0.140 38.249 38.000 0.182 0.000 1.342 102 I HN 0.284 nan 8.210 nan 0.000 0.577 103 R N 6.805 127.364 120.500 0.097 0.000 2.310 103 R HA 0.364 4.708 4.340 0.008 0.000 0.324 103 R C -2.488 173.860 176.300 0.081 0.000 0.955 103 R CA -1.793 54.362 56.100 0.092 0.000 0.830 103 R CB 1.402 31.711 30.300 0.016 0.000 1.154 103 R HN 0.260 nan 8.270 nan 0.000 0.458 104 P HA 0.034 nan 4.420 nan 0.000 0.266 104 P C -1.015 176.266 177.300 -0.031 0.000 1.215 104 P CA 0.526 63.629 63.100 0.005 0.000 0.763 104 P CB 0.963 32.682 31.700 0.032 0.000 0.806 105 S N 2.697 118.355 115.700 -0.069 0.000 2.651 105 S HA 0.741 5.216 4.470 0.008 0.000 0.279 105 S C -0.909 173.694 174.600 0.004 0.000 1.148 105 S CA -0.662 57.481 58.200 -0.095 0.000 0.837 105 S CB 1.568 64.606 63.200 -0.270 0.000 1.138 105 S HN 0.401 nan 8.310 nan 0.000 0.478 106 I N 1.041 121.616 120.570 0.008 0.000 2.722 106 I HA 0.453 4.628 4.170 0.008 0.000 0.292 106 I C -1.573 174.580 176.117 0.061 0.000 1.267 106 I CA -0.087 61.292 61.300 0.132 0.000 1.036 106 I CB 2.138 40.188 38.000 0.085 0.000 1.281 106 I HN 0.596 nan 8.210 nan 0.000 0.423 107 T N 7.723 122.351 114.554 0.123 0.000 2.770 107 T HA 0.511 4.865 4.350 0.008 0.000 0.283 107 T C -0.205 174.384 174.700 -0.185 0.000 0.988 107 T CA -0.357 61.706 62.100 -0.062 0.000 0.957 107 T CB 0.878 69.707 68.868 -0.064 0.000 0.930 107 T HN 0.218 nan 8.240 nan 0.000 0.443 108 I N 4.837 125.274 120.570 -0.222 0.000 2.291 108 I HA 0.344 4.518 4.170 0.008 0.000 0.290 108 I C -0.127 175.889 176.117 -0.168 0.000 1.050 108 I CA -0.517 60.695 61.300 -0.146 0.000 1.245 108 I CB -0.350 37.574 38.000 -0.127 0.000 1.405 108 I HN 0.491 nan 8.210 nan 0.000 0.478 109 F N 7.024 127.049 119.950 0.125 0.000 2.375 109 F HA 0.469 5.002 4.527 0.009 0.000 0.317 109 F C -1.755 174.150 175.800 0.175 0.000 1.124 109 F CA -2.259 55.808 58.000 0.110 0.000 1.050 109 F CB 0.007 39.045 39.000 0.064 0.000 1.314 109 F HN 0.266 nan 8.300 nan 0.000 0.511 110 P HA 0.079 nan 4.420 nan 0.000 0.268 110 P C -2.417 174.965 177.300 0.136 0.000 1.204 110 P CA -0.622 62.594 63.100 0.194 0.000 0.768 110 P CB -0.012 31.767 31.700 0.131 0.000 0.842 111 P HA 0.170 nan 4.420 nan 0.000 0.279 111 P C -0.417 176.822 177.300 -0.102 0.000 1.282 111 P CA -0.358 62.628 63.100 -0.189 0.000 0.788 111 P CB 0.893 32.194 31.700 -0.665 0.000 1.139 112 E N 0.041 120.186 120.200 -0.091 0.000 2.404 112 E HA 0.004 4.358 4.350 0.008 0.000 0.261 112 E C 0.932 177.483 176.600 -0.082 0.000 1.074 112 E CA -0.249 56.113 56.400 -0.063 0.000 0.917 112 E CB 0.584 30.247 29.700 -0.061 0.000 0.965 112 E HN 0.391 nan 8.360 nan 0.000 0.433 113 E N 2.037 122.198 120.200 -0.066 0.000 2.115 113 E HA 0.028 4.382 4.350 0.008 0.000 0.213 113 E C 0.162 176.718 176.600 -0.073 0.000 0.936 113 E CA 0.569 56.932 56.400 -0.061 0.000 0.947 113 E CB 0.039 29.715 29.700 -0.040 0.000 1.169 113 E HN 0.272 nan 8.360 nan 0.000 0.497 114 K N 0.508 120.864 120.400 -0.073 0.000 3.101 114 K HA 0.325 4.650 4.320 0.008 0.000 0.229 114 K C 0.346 176.865 176.600 -0.135 0.000 1.232 114 K CA 0.394 56.623 56.287 -0.096 0.000 1.210 114 K CB 0.562 33.025 32.500 -0.062 0.000 1.284 114 K HN 0.493 nan 8.250 nan 0.000 0.448 115 G N 1.694 110.398 108.800 -0.161 0.000 2.253 115 G HA2 -0.333 3.631 3.960 0.008 0.000 0.251 115 G HA3 -0.333 3.631 3.960 0.008 0.000 0.251 115 G C -0.090 174.743 174.900 -0.110 0.000 0.998 115 G CA 0.320 45.311 45.100 -0.182 0.000 0.621 115 G HN 0.590 nan 8.290 nan 0.000 0.524 116 E N 1.158 121.313 120.200 -0.075 0.000 2.259 116 E HA 0.633 4.987 4.350 0.008 0.000 0.281 116 E C 0.039 176.625 176.600 -0.024 0.000 1.027 116 E CA -0.795 55.581 56.400 -0.039 0.000 0.838 116 E CB 1.181 30.866 29.700 -0.025 0.000 1.066 116 E HN 0.362 nan 8.360 nan 0.000 0.401 117 K N 1.985 122.384 120.400 -0.001 0.000 2.202 117 K HA 0.064 4.388 4.320 0.008 0.000 0.264 117 K C 0.774 177.390 176.600 0.026 0.000 1.010 117 K CA -0.537 55.761 56.287 0.019 0.000 0.940 117 K CB 0.834 33.359 32.500 0.043 0.000 0.983 117 K HN 0.520 nan 8.250 nan 0.000 0.475 118 Q N 0.090 119.907 119.800 0.029 0.000 2.324 118 Q HA 0.120 4.464 4.340 0.008 0.000 0.207 118 Q C 0.058 176.076 176.000 0.029 0.000 0.928 118 Q CA 0.610 56.431 55.803 0.031 0.000 0.890 118 Q CB 0.766 29.525 28.738 0.035 0.000 1.001 118 Q HN 0.334 nan 8.270 nan 0.000 0.517 119 V N 1.169 121.092 119.914 0.016 0.000 2.733 119 V HA 0.339 4.463 4.120 0.008 0.000 0.306 119 V C -0.971 175.134 176.094 0.017 0.000 1.084 119 V CA -0.875 61.409 62.300 -0.026 0.000 0.905 119 V CB 2.527 34.223 31.823 -0.212 0.000 1.010 119 V HN 0.088 nan 8.190 nan 0.000 0.424 120 E N 4.418 124.679 120.200 0.103 0.000 2.220 120 E HA 0.552 4.907 4.350 0.008 0.000 0.256 120 E C -1.344 175.446 176.600 0.316 0.000 0.881 120 E CA -0.566 55.953 56.400 0.200 0.000 0.766 120 E CB 1.410 31.274 29.700 0.273 0.000 1.187 120 E HN 0.675 nan 8.360 nan 0.000 0.419 121 I N 4.767 125.483 120.570 0.245 0.000 2.342 121 I HA 0.107 4.281 4.170 0.008 0.000 0.291 121 I C 0.175 176.560 176.117 0.446 0.000 1.010 121 I CA -0.515 60.959 61.300 0.290 0.000 1.308 121 I CB 0.624 38.685 38.000 0.102 0.000 1.400 121 I HN 0.734 nan 8.210 nan 0.000 0.488 122 W N 3.459 124.831 121.300 0.120 0.000 2.704 122 W HA 0.106 4.770 4.660 0.007 0.000 0.266 122 W C 1.023 177.609 176.519 0.112 0.000 1.266 122 W CA -0.348 57.084 57.345 0.146 0.000 1.377 122 W CB -0.440 29.070 29.460 0.083 0.000 1.082 122 W HN 0.374 nan 8.180 nan 0.000 0.608 123 N N 0.837 119.686 118.700 0.249 0.000 2.441 123 N HA -0.097 4.648 4.740 0.008 0.000 0.251 123 N C 0.683 176.281 175.510 0.146 0.000 1.242 123 N CA 0.510 53.631 53.050 0.119 0.000 0.898 123 N CB 0.898 39.408 38.487 0.038 0.000 1.100 123 N HN 0.112 nan 8.380 nan 0.000 0.443 124 H N 1.166 120.258 119.070 0.037 0.000 2.384 124 H HA 0.112 4.673 4.556 0.009 0.000 0.300 124 H C -0.110 175.198 175.328 -0.032 0.000 1.057 124 H CA 1.398 57.469 56.048 0.039 0.000 1.370 124 H CB 0.611 30.412 29.762 0.066 0.000 1.417 124 H HN 0.545 nan 8.280 nan 0.000 0.527 125 Q N -0.304 119.431 119.800 -0.110 0.000 2.397 125 Q HA 0.262 4.606 4.340 0.008 0.000 0.275 125 Q C 0.661 176.549 176.000 -0.185 0.000 1.090 125 Q CA -0.563 55.105 55.803 -0.225 0.000 0.809 125 Q CB 2.629 31.273 28.738 -0.157 0.000 1.362 125 Q HN 0.264 nan 8.270 nan 0.000 0.431 126 L N 0.987 122.080 121.223 -0.216 0.000 2.127 126 L HA -0.034 4.310 4.340 0.008 0.000 0.211 126 L C 0.553 177.292 176.870 -0.218 0.000 1.089 126 L CA 1.333 56.069 54.840 -0.173 0.000 0.757 126 L CB -0.095 41.864 42.059 -0.166 0.000 0.899 126 L HN 0.506 nan 8.230 nan 0.000 0.434 127 I N -0.369 119.983 120.570 -0.364 0.000 2.389 127 I HA 0.405 4.579 4.170 0.008 0.000 0.288 127 I C -0.340 175.239 176.117 -0.898 0.000 0.999 127 I CA -0.545 60.398 61.300 -0.595 0.000 1.129 127 I CB 1.765 39.343 38.000 -0.703 0.000 1.288 127 I HN -0.017 nan 8.210 nan 0.000 0.444 128 R N 4.624 124.709 120.500 -0.692 0.000 2.663 128 R HA 0.484 4.829 4.340 0.008 0.000 0.267 128 R C -1.955 174.133 176.300 -0.354 0.000 1.038 128 R CA -0.768 55.021 56.100 -0.519 0.000 0.886 128 R CB 1.255 31.449 30.300 -0.176 0.000 1.249 128 R HN 0.272 nan 8.270 nan 0.000 0.463 129 Y N 1.062 121.364 120.300 0.002 0.000 2.320 129 Y HA 0.656 5.211 4.550 0.008 0.000 0.324 129 Y C 0.879 176.795 175.900 0.027 0.000 1.190 129 Y CA -0.368 57.769 58.100 0.061 0.000 1.215 129 Y CB 1.386 39.951 38.460 0.175 0.000 1.221 129 Y HN 0.738 nan 8.280 nan 0.000 0.486 130 A N 1.261 124.193 122.820 0.186 0.000 2.313 130 A HA 0.691 5.015 4.320 0.008 0.000 0.261 130 A C 0.402 177.877 177.584 -0.182 0.000 1.090 130 A CA 0.230 52.230 52.037 -0.062 0.000 0.807 130 A CB -0.134 18.830 19.000 -0.060 0.000 1.055 130 A HN 0.929 nan 8.150 nan 0.000 0.492 131 G N -0.550 107.987 108.800 -0.439 0.000 2.732 131 G HA2 0.581 4.546 3.960 0.008 0.000 0.295 131 G HA3 0.581 4.546 3.960 0.008 0.000 0.295 131 G C -1.396 173.195 174.900 -0.515 0.000 1.456 131 G CA -0.288 44.595 45.100 -0.361 0.000 1.050 131 G HN 0.532 nan 8.290 nan 0.000 0.525 132 Y N 0.168 120.462 120.300 -0.010 0.000 2.485 132 Y HA 0.651 5.205 4.550 0.007 0.000 0.345 132 Y C 0.336 176.219 175.900 -0.028 0.000 0.998 132 Y CA -1.059 57.035 58.100 -0.010 0.000 1.059 132 Y CB 3.066 41.521 38.460 -0.010 0.000 1.234 132 Y HN 0.493 nan 8.280 nan 0.000 0.461 133 E N 1.753 122.031 120.200 0.129 0.000 3.132 133 E HA 0.592 4.947 4.350 0.008 0.000 0.241 133 E C -1.137 175.492 176.600 0.049 0.000 1.196 133 E CA -0.396 56.040 56.400 0.059 0.000 0.869 133 E CB 0.344 30.059 29.700 0.024 0.000 1.387 133 E HN 0.807 nan 8.360 nan 0.000 0.393 134 A N 1.254 124.100 122.820 0.044 0.000 2.313 134 A HA 0.541 4.865 4.320 0.008 0.000 0.261 134 A C 1.399 178.988 177.584 0.008 0.000 1.090 134 A CA 0.513 52.562 52.037 0.020 0.000 0.807 134 A CB 0.612 19.612 19.000 -0.000 0.000 1.055 134 A HN 0.687 nan 8.150 nan 0.000 0.492 135 A N 1.000 123.822 122.820 0.003 0.000 2.032 135 A HA -0.001 4.323 4.320 0.008 0.000 0.221 135 A C 2.143 179.724 177.584 -0.005 0.000 1.165 135 A CA 2.476 54.513 52.037 -0.001 0.000 0.645 135 A CB -1.245 17.753 19.000 -0.003 0.000 0.807 135 A HN 1.382 nan 8.150 nan 0.000 0.453 136 G N -0.337 108.458 108.800 -0.008 0.000 2.453 136 G HA2 0.163 4.128 3.960 0.008 0.000 0.215 136 G HA3 0.163 4.128 3.960 0.008 0.000 0.215 136 G C 0.598 175.491 174.900 -0.011 0.000 1.201 136 G CA 1.279 46.371 45.100 -0.012 0.000 0.784 136 G HN 0.858 nan 8.290 nan 0.000 0.545 137 E N -3.144 117.050 120.200 -0.010 0.000 2.011 137 E HA 0.556 4.910 4.350 0.008 0.000 0.233 137 E C -0.599 175.996 176.600 -0.008 0.000 1.581 137 E CA -0.669 55.724 56.400 -0.011 0.000 0.998 137 E CB 0.044 29.735 29.700 -0.015 0.000 1.568 137 E HN 0.370 nan 8.360 nan 0.000 0.554 138 R N 0.848 121.337 120.500 -0.019 0.000 2.428 138 R HA 0.770 5.115 4.340 0.008 0.000 0.294 138 R C -0.249 176.033 176.300 -0.030 0.000 1.000 138 R CA -0.181 55.903 56.100 -0.027 0.000 0.960 138 R CB 0.166 30.431 30.300 -0.058 0.000 1.076 138 R HN 0.422 nan 8.270 nan 0.000 0.475 139 I N 1.929 122.501 120.570 0.003 0.000 2.512 139 I HA 0.629 4.803 4.170 0.008 0.000 0.287 139 I C 0.756 176.901 176.117 0.047 0.000 1.069 139 I CA -0.183 61.132 61.300 0.025 0.000 1.056 139 I CB 2.054 40.102 38.000 0.079 0.000 1.229 139 I HN 1.202 nan 8.210 nan 0.000 0.429 140 G N 5.200 113.948 108.800 -0.087 0.000 2.568 140 G HA2 -0.199 3.765 3.960 0.008 0.000 0.222 140 G HA3 -0.199 3.765 3.960 0.008 0.000 0.222 140 G C -0.882 173.799 174.900 -0.365 0.000 1.321 140 G CA -0.515 44.510 45.100 -0.125 0.000 0.893 140 G HN 0.675 nan 8.290 nan 0.000 0.569 141 D N 1.057 121.363 120.400 -0.157 0.000 2.347 141 D HA 0.532 5.176 4.640 0.008 0.000 0.235 141 D C -0.865 175.384 176.300 -0.086 0.000 1.149 141 D CA -1.976 51.952 54.000 -0.121 0.000 0.850 141 D CB 1.324 42.299 40.800 0.292 0.000 1.061 141 D HN -0.006 nan 8.370 nan 0.000 0.487 142 P HA -0.123 nan 4.420 nan 0.000 0.217 142 P C 0.884 178.167 177.300 -0.028 0.000 1.148 142 P CA 1.131 64.188 63.100 -0.071 0.000 0.828 142 P CB 0.248 31.905 31.700 -0.072 0.000 0.783 143 A N -1.102 121.723 122.820 0.009 0.000 2.172 143 A HA -0.074 4.251 4.320 0.008 0.000 0.216 143 A C 1.988 179.577 177.584 0.009 0.000 1.154 143 A CA 1.488 53.536 52.037 0.018 0.000 0.701 143 A CB -0.991 18.042 19.000 0.054 0.000 0.789 143 A HN 0.132 nan 8.150 nan 0.000 0.465 144 S N -1.801 113.898 115.700 -0.001 0.000 2.540 144 S HA 0.027 4.502 4.470 0.008 0.000 0.218 144 S C 1.477 176.027 174.600 -0.084 0.000 0.977 144 S CA 0.058 58.236 58.200 -0.036 0.000 0.918 144 S CB -0.528 62.652 63.200 -0.034 0.000 0.806 144 S HN 0.678 nan 8.310 nan 0.000 0.496 145 C N 2.428 121.689 119.300 -0.065 0.000 2.328 145 C HA -0.204 4.261 4.460 0.008 0.000 0.276 145 C C 3.236 178.201 174.990 -0.041 0.000 1.173 145 C CA 1.949 60.928 59.018 -0.064 0.000 1.774 145 C CB -1.348 26.376 27.740 -0.028 0.000 2.009 145 C HN 0.779 nan 8.230 nan 0.000 0.436 146 S N 0.676 116.383 115.700 0.012 0.000 2.370 146 S HA -0.220 4.254 4.470 0.008 0.000 0.226 146 S C 1.726 176.318 174.600 -0.013 0.000 1.033 146 S CA 1.845 60.085 58.200 0.068 0.000 1.011 146 S CB -0.818 62.488 63.200 0.177 0.000 0.852 146 S HN 0.489 nan 8.310 nan 0.000 0.457 147 L N 2.172 123.293 121.223 -0.169 0.000 2.093 147 L HA 0.015 4.359 4.340 0.008 0.000 0.208 147 L C 2.411 179.108 176.870 -0.288 0.000 1.085 147 L CA 2.092 56.633 54.840 -0.498 0.000 0.755 147 L CB -1.449 40.282 42.059 -0.547 0.000 0.904 147 L HN 0.331 nan 8.230 nan 0.000 0.435 148 T N -0.126 114.307 114.554 -0.202 0.000 2.746 148 T HA -0.136 4.219 4.350 0.008 0.000 0.267 148 T C 1.919 176.588 174.700 -0.052 0.000 1.039 148 T CA 1.328 63.329 62.100 -0.164 0.000 1.142 148 T CB -0.485 68.240 68.868 -0.238 0.000 0.866 148 T HN 0.528 nan 8.240 nan 0.000 0.444 149 A N 1.380 124.182 122.820 -0.031 0.000 1.933 149 A HA 0.137 4.461 4.320 0.008 0.000 0.218 149 A C 2.615 180.217 177.584 0.030 0.000 1.175 149 A CA 1.836 53.889 52.037 0.026 0.000 0.628 149 A CB -1.024 17.997 19.000 0.035 0.000 0.814 149 A HN 0.508 nan 8.150 nan 0.000 0.444 150 A N -1.104 121.721 122.820 0.008 0.000 1.930 150 A HA -0.137 4.187 4.320 0.008 0.000 0.217 150 A C 2.292 179.872 177.584 -0.007 0.000 1.175 150 A CA 1.597 53.667 52.037 0.054 0.000 0.627 150 A CB -1.204 17.869 19.000 0.122 0.000 0.815 150 A HN 0.591 nan 8.150 nan 0.000 0.443 151 C N -0.395 118.848 119.300 -0.095 0.000 2.429 151 C HA -0.083 4.381 4.460 0.008 0.000 0.277 151 C C 2.551 177.504 174.990 -0.062 0.000 1.262 151 C CA 1.148 60.050 59.018 -0.195 0.000 1.733 151 C CB -1.241 26.256 27.740 -0.405 0.000 2.010 151 C HN 0.656 nan 8.230 nan 0.000 0.483 152 E N 0.077 120.321 120.200 0.073 0.000 2.338 152 E HA -0.225 4.129 4.350 0.008 0.000 0.197 152 E C 1.923 178.547 176.600 0.039 0.000 1.007 152 E CA 0.668 57.121 56.400 0.089 0.000 0.849 152 E CB -0.222 29.549 29.700 0.119 0.000 0.774 152 E HN 0.551 nan 8.360 nan 0.000 0.506 153 Q N 0.196 120.016 119.800 0.034 0.000 2.472 153 Q HA -0.030 4.315 4.340 0.008 0.000 0.208 153 Q C 0.899 176.921 176.000 0.038 0.000 0.958 153 Q CA 0.587 56.414 55.803 0.040 0.000 0.932 153 Q CB 0.337 29.108 28.738 0.054 0.000 1.007 153 Q HN 0.113 nan 8.270 nan 0.000 0.508 154 L N -1.763 119.474 121.223 0.024 0.000 2.808 154 L HA 0.431 4.775 4.340 0.008 0.000 0.246 154 L C 1.080 178.065 176.870 0.191 0.000 1.153 154 L CA 0.765 55.649 54.840 0.072 0.000 0.956 154 L CB 0.960 43.043 42.059 0.040 0.000 1.270 154 L HN 0.233 nan 8.230 nan 0.000 0.528 155 G N -2.011 106.862 108.800 0.122 0.000 2.218 155 G HA2 -0.302 3.662 3.960 0.008 0.000 0.216 155 G HA3 -0.302 3.662 3.960 0.008 0.000 0.216 155 G C 0.052 175.022 174.900 0.116 0.000 0.994 155 G CA -0.152 45.064 45.100 0.193 0.000 0.637 155 G HN 0.188 nan 8.290 nan 0.000 0.505 156 W N 1.644 122.693 121.300 -0.419 0.000 2.184 156 W HA 0.774 5.439 4.660 0.007 0.000 0.338 156 W C 0.388 176.726 176.519 -0.301 0.000 1.257 156 W CA -0.358 56.561 57.345 -0.710 0.000 1.243 156 W CB 0.783 29.518 29.460 -1.209 0.000 1.122 156 W HN 0.284 nan 8.180 nan 0.000 0.585 157 R N 3.517 123.301 120.500 -1.193 0.000 2.510 157 R HA 0.528 4.873 4.340 0.008 0.000 0.287 157 R C -0.348 175.130 176.300 -1.369 0.000 1.084 157 R CA -0.381 55.146 56.100 -0.955 0.000 0.934 157 R CB 0.940 30.961 30.300 -0.465 0.000 1.201 157 R HN 0.639 nan 8.270 nan 0.000 0.431 158 G N 1.256 109.397 108.800 -1.097 0.000 2.522 158 G HA2 0.236 4.200 3.960 0.008 0.000 0.304 158 G HA3 0.236 4.200 3.960 0.008 0.000 0.304 158 G C -0.321 174.384 174.900 -0.325 0.000 1.210 158 G CA -0.520 44.189 45.100 -0.652 0.000 0.960 158 G HN 0.741 nan 8.290 nan 0.000 0.497 159 E N -0.738 119.368 120.200 -0.158 0.000 2.442 159 E HA 0.087 4.442 4.350 0.008 0.000 0.195 159 E C 0.483 176.983 176.600 -0.168 0.000 1.030 159 E CA -0.166 56.154 56.400 -0.134 0.000 0.869 159 E CB 0.154 29.823 29.700 -0.051 0.000 0.857 159 E HN 0.483 nan 8.360 nan 0.000 0.505 160 R N 0.880 121.249 120.500 -0.219 0.000 3.407 160 R HA -0.126 4.218 4.340 0.008 0.000 0.277 160 R C -0.213 176.016 176.300 -0.119 0.000 1.119 160 R CA 0.723 56.611 56.100 -0.353 0.000 0.750 160 R CB -2.565 27.435 30.300 -0.499 0.000 1.258 160 R HN 0.301 nan 8.270 nan 0.000 0.432 161 T N -4.390 110.169 114.554 0.007 0.000 2.910 161 T HA 0.283 4.638 4.350 0.008 0.000 0.279 161 T C 0.831 175.526 174.700 -0.007 0.000 0.989 161 T CA -0.826 61.283 62.100 0.015 0.000 0.968 161 T CB 1.298 70.207 68.868 0.068 0.000 1.135 161 T HN -0.036 nan 8.240 nan 0.000 0.562 162 D N -0.601 119.708 120.400 -0.152 0.000 2.363 162 D HA 0.113 4.758 4.640 0.008 0.000 0.220 162 D C -0.327 175.519 176.300 -0.757 0.000 0.994 162 D CA 0.772 54.509 54.000 -0.439 0.000 0.890 162 D CB -0.128 40.280 40.800 -0.654 0.000 0.906 162 D HN 0.532 nan 8.370 nan 0.000 0.530 163 F N 0.785 120.684 119.950 -0.084 0.000 2.576 163 F HA 0.214 4.746 4.527 0.008 0.000 0.365 163 F C -0.245 175.509 175.800 -0.077 0.000 1.506 163 F CA -1.067 56.675 58.000 -0.430 0.000 1.113 163 F CB 0.470 39.067 39.000 -0.672 0.000 1.293 163 F HN -0.404 nan 8.300 nan 0.000 0.540 164 D N 1.937 122.500 120.400 0.272 0.000 2.308 164 D HA 0.279 4.924 4.640 0.008 0.000 0.251 164 D C 0.262 176.823 176.300 0.435 0.000 1.127 164 D CA 0.063 54.276 54.000 0.356 0.000 0.876 164 D CB 1.684 42.733 40.800 0.416 0.000 1.176 164 D HN 0.231 nan 8.370 nan 0.000 0.446 165 L N 2.614 124.058 121.223 0.368 0.000 2.360 165 L HA 0.203 4.548 4.340 0.008 0.000 0.276 165 L C 0.677 177.624 176.870 0.129 0.000 1.121 165 L CA -0.497 54.481 54.840 0.230 0.000 0.845 165 L CB 0.361 42.511 42.059 0.152 0.000 1.143 165 L HN 0.167 nan 8.230 nan 0.000 0.452 166 L N 5.559 126.739 121.223 -0.071 0.000 2.464 166 L HA 0.332 4.677 4.340 0.008 0.000 0.264 166 L C -1.822 174.852 176.870 -0.327 0.000 1.199 166 L CA -1.479 53.143 54.840 -0.363 0.000 0.818 166 L CB 0.660 42.504 42.059 -0.359 0.000 1.102 166 L HN 0.441 nan 8.230 nan 0.000 0.473 167 P HA 0.268 nan 4.420 nan 0.000 0.283 167 P C -1.059 176.173 177.300 -0.114 0.000 1.271 167 P CA -0.701 62.259 63.100 -0.234 0.000 0.841 167 P CB 1.139 32.633 31.700 -0.342 0.000 1.122 168 L N 1.940 123.222 121.223 0.099 0.000 2.416 168 L HA 0.338 4.683 4.340 0.008 0.000 0.272 168 L C 0.863 177.808 176.870 0.125 0.000 1.161 168 L CA -0.005 54.936 54.840 0.167 0.000 0.845 168 L CB 0.008 42.270 42.059 0.338 0.000 1.119 168 L HN 0.367 nan 8.230 nan 0.000 0.464 169 I N 4.717 125.342 120.570 0.091 0.000 2.534 169 I HA 0.468 4.643 4.170 0.008 0.000 0.286 169 I C -1.273 174.833 176.117 -0.018 0.000 1.094 169 I CA -0.425 60.821 61.300 -0.089 0.000 1.055 169 I CB 1.165 39.053 38.000 -0.186 0.000 1.225 169 I HN 0.544 nan 8.210 nan 0.000 0.435 170 F N 5.405 125.236 119.950 -0.198 0.000 2.662 170 F HA 0.682 5.214 4.527 0.008 0.000 0.312 170 F C -1.305 174.353 175.800 -0.238 0.000 1.113 170 F CA -1.054 56.836 58.000 -0.182 0.000 0.951 170 F CB 1.213 40.161 39.000 -0.087 0.000 1.344 170 F HN 0.413 nan 8.300 nan 0.000 0.462 171 R N 2.663 123.220 120.500 0.096 0.000 2.534 171 R HA 0.597 4.942 4.340 0.008 0.000 0.301 171 R C -1.234 175.152 176.300 0.144 0.000 0.961 171 R CA -0.876 55.245 56.100 0.035 0.000 0.871 171 R CB 1.474 31.800 30.300 0.043 0.000 1.170 171 R HN 0.771 nan 8.270 nan 0.000 0.446 172 M N 2.956 122.616 119.600 0.099 0.000 2.314 172 M HA 0.252 4.737 4.480 0.008 0.000 0.342 172 M C 0.040 176.376 176.300 0.060 0.000 1.171 172 M CA -0.428 54.928 55.300 0.093 0.000 1.098 172 M CB 1.109 33.761 32.600 0.086 0.000 1.559 172 M HN 0.475 nan 8.290 nan 0.000 0.459 173 K N 0.737 121.168 120.400 0.052 0.000 2.436 173 K HA 0.265 4.589 4.320 0.008 0.000 0.282 173 K C 0.790 177.408 176.600 0.031 0.000 1.044 173 K CA 1.108 57.419 56.287 0.041 0.000 1.028 173 K CB 0.013 32.532 32.500 0.033 0.000 0.919 173 K HN 0.924 nan 8.250 nan 0.000 0.474 174 G N 3.417 112.234 108.800 0.027 0.000 2.211 174 G HA2 -0.151 3.813 3.960 0.008 0.000 0.201 174 G HA3 -0.151 3.813 3.960 0.008 0.000 0.201 174 G C -0.651 174.258 174.900 0.014 0.000 0.997 174 G CA -0.172 44.939 45.100 0.019 0.000 0.652 174 G HN 0.677 nan 8.290 nan 0.000 0.500 175 D N 0.004 120.413 120.400 0.016 0.000 2.248 175 D HA 0.472 5.117 4.640 0.008 0.000 0.246 175 D C 0.920 177.230 176.300 0.016 0.000 1.027 175 D CA -0.566 53.436 54.000 0.003 0.000 0.853 175 D CB 1.635 42.423 40.800 -0.019 0.000 1.243 175 D HN 0.237 nan 8.370 nan 0.000 0.462 176 E N 0.058 120.265 120.200 0.012 0.000 2.170 176 E HA -0.031 4.324 4.350 0.008 0.000 0.191 176 E C 0.182 176.804 176.600 0.038 0.000 0.981 176 E CA 0.645 57.064 56.400 0.032 0.000 0.830 176 E CB 0.515 30.231 29.700 0.026 0.000 0.775 176 E HN 0.338 nan 8.360 nan 0.000 0.470 177 Q N 0.354 120.146 119.800 -0.013 0.000 2.413 177 Q HA 0.346 4.690 4.340 0.008 0.000 0.276 177 Q C -2.418 173.477 176.000 -0.175 0.000 1.099 177 Q CA -1.984 53.781 55.803 -0.065 0.000 0.814 177 Q CB 2.134 30.837 28.738 -0.058 0.000 1.379 177 Q HN 0.043 nan 8.270 nan 0.000 0.436 178 P HA 0.208 nan 4.420 nan 0.000 0.276 178 P C -0.477 176.565 177.300 -0.431 0.000 1.261 178 P CA -0.320 62.477 63.100 -0.506 0.000 0.800 178 P CB 0.884 31.968 31.700 -1.025 0.000 1.066 179 V N -2.466 117.129 119.914 -0.533 0.000 3.019 179 V HA 0.795 4.920 4.120 0.008 0.000 0.317 179 V C -0.577 175.164 176.094 -0.587 0.000 1.094 179 V CA -0.878 61.085 62.300 -0.562 0.000 1.000 179 V CB 2.059 33.497 31.823 -0.642 0.000 1.060 179 V HN 0.823 nan 8.190 nan 0.000 0.443 180 W N 1.115 121.990 121.300 -0.709 0.000 3.033 180 W HA 0.812 5.476 4.660 0.007 0.000 0.336 180 W C -2.798 173.317 176.519 -0.673 0.000 1.173 180 W CA -1.214 55.785 57.345 -0.576 0.000 1.185 180 W CB 1.343 30.586 29.460 -0.362 0.000 1.425 180 W HN 0.627 nan 8.180 nan 0.000 0.536 181 Y N 1.137 121.568 120.300 0.219 0.000 2.396 181 Y HA 0.218 4.776 4.550 0.012 0.000 0.332 181 Y C 0.019 176.139 175.900 0.367 0.000 1.034 181 Y CA -1.030 57.194 58.100 0.206 0.000 1.057 181 Y CB 2.069 40.608 38.460 0.131 0.000 1.220 181 Y HN 0.479 nan 8.280 nan 0.000 0.440 182 E N 2.768 123.308 120.200 0.566 0.000 2.384 182 E HA 0.242 4.596 4.350 0.008 0.000 0.266 182 E C -1.066 175.737 176.600 0.338 0.000 1.012 182 E CA -0.028 56.647 56.400 0.458 0.000 0.901 182 E CB 0.546 30.528 29.700 0.469 0.000 0.967 182 E HN 0.618 nan 8.360 nan 0.000 0.435 183 L N 6.645 128.004 121.223 0.227 0.000 2.410 183 L HA 0.266 4.611 4.340 0.008 0.000 0.273 183 L C -1.813 175.066 176.870 0.016 0.000 1.152 183 L CA -1.881 53.019 54.840 0.100 0.000 0.855 183 L CB 0.583 42.670 42.059 0.046 0.000 1.129 183 L HN 0.570 nan 8.230 nan 0.000 0.463 184 P HA 0.141 nan 4.420 nan 0.000 0.271 184 P C 0.087 177.334 177.300 -0.088 0.000 1.226 184 P CA -0.460 62.565 63.100 -0.126 0.000 0.765 184 P CB 0.634 32.166 31.700 -0.280 0.000 0.835 185 R N 1.649 122.131 120.500 -0.030 0.000 2.152 185 R HA -0.081 4.263 4.340 0.008 0.000 0.232 185 R C 1.789 178.070 176.300 -0.033 0.000 1.117 185 R CA 1.530 57.621 56.100 -0.015 0.000 0.981 185 R CB -1.177 29.130 30.300 0.011 0.000 0.870 185 R HN 0.591 nan 8.270 nan 0.000 0.451 186 S N 0.081 115.752 115.700 -0.048 0.000 2.474 186 S HA -0.057 4.418 4.470 0.008 0.000 0.235 186 S C 1.783 176.347 174.600 -0.060 0.000 0.997 186 S CA 0.584 58.756 58.200 -0.047 0.000 0.949 186 S CB -0.092 63.081 63.200 -0.045 0.000 0.766 186 S HN 0.086 nan 8.310 nan 0.000 0.517 187 L N 1.252 122.421 121.223 -0.090 0.000 2.477 187 L HA 0.378 4.722 4.340 0.008 0.000 0.220 187 L C 0.077 176.909 176.870 -0.063 0.000 1.106 187 L CA 0.450 55.234 54.840 -0.093 0.000 0.851 187 L CB 0.220 42.180 42.059 -0.165 0.000 0.994 187 L HN 0.181 nan 8.230 nan 0.000 0.462 188 V N 1.133 121.016 119.914 -0.052 0.000 2.333 188 V HA 0.265 4.390 4.120 0.008 0.000 0.274 188 V C 0.365 176.453 176.094 -0.011 0.000 1.028 188 V CA -0.683 61.598 62.300 -0.032 0.000 0.851 188 V CB 1.197 32.998 31.823 -0.037 0.000 1.000 188 V HN -0.018 nan 8.190 nan 0.000 0.456 189 I N 4.735 125.306 120.570 0.001 0.000 2.474 189 I HA 0.354 4.529 4.170 0.008 0.000 0.287 189 I C 0.409 176.532 176.117 0.011 0.000 1.048 189 I CA 0.058 61.355 61.300 -0.005 0.000 1.383 189 I CB 0.905 38.897 38.000 -0.014 0.000 1.412 189 I HN 0.650 nan 8.210 nan 0.000 0.531 190 E N 4.772 124.960 120.200 -0.020 0.000 2.288 190 E HA 0.561 4.915 4.350 0.008 0.000 0.268 190 E C -1.466 175.073 176.600 -0.103 0.000 0.885 190 E CA -0.806 55.581 56.400 -0.021 0.000 0.767 190 E CB 3.131 32.836 29.700 0.007 0.000 1.220 190 E HN 0.214 nan 8.360 nan 0.000 0.427 191 V N 3.580 123.409 119.914 -0.142 0.000 2.407 191 V HA 0.322 4.447 4.120 0.008 0.000 0.291 191 V C -2.265 173.767 176.094 -0.103 0.000 1.018 191 V CA -1.811 60.361 62.300 -0.213 0.000 0.842 191 V CB 1.422 32.916 31.823 -0.549 0.000 0.996 191 V HN 0.551 nan 8.190 nan 0.000 0.426 192 P HA 0.294 nan 4.420 nan 0.000 0.276 192 P C -0.839 176.474 177.300 0.022 0.000 1.230 192 P CA -0.229 62.852 63.100 -0.033 0.000 0.776 192 P CB 1.217 32.901 31.700 -0.028 0.000 0.888 193 I N 3.649 124.266 120.570 0.079 0.000 2.312 193 I HA 0.248 4.422 4.170 0.008 0.000 0.291 193 I C 1.166 177.398 176.117 0.192 0.000 1.031 193 I CA 0.074 61.459 61.300 0.141 0.000 1.293 193 I CB 0.292 38.410 38.000 0.196 0.000 1.403 193 I HN 0.416 nan 8.210 nan 0.000 0.484 194 T N 2.776 117.421 114.554 0.152 0.000 2.907 194 T HA 0.470 4.825 4.350 0.008 0.000 0.290 194 T C -0.583 174.158 174.700 0.069 0.000 1.066 194 T CA -0.731 61.478 62.100 0.181 0.000 1.012 194 T CB 2.696 71.684 68.868 0.200 0.000 1.184 194 T HN 0.547 nan 8.240 nan 0.000 0.522 195 H N 1.340 120.345 119.070 -0.109 0.000 2.469 195 H HA 0.372 4.933 4.556 0.008 0.000 0.342 195 H C -1.848 173.269 175.328 -0.353 0.000 1.115 195 H CA -2.344 53.500 56.048 -0.341 0.000 1.204 195 H CB 2.452 31.932 29.762 -0.470 0.000 1.492 195 H HN 0.395 nan 8.280 nan 0.000 0.499 196 P HA -0.117 nan 4.420 nan 0.000 0.218 196 P C 0.124 177.270 177.300 -0.256 0.000 1.148 196 P CA 1.264 63.769 63.100 -0.993 0.000 0.822 196 P CB 0.846 31.814 31.700 -1.219 0.000 0.784 197 D N -1.100 119.379 120.400 0.133 0.000 2.461 197 D HA 0.174 4.819 4.640 0.008 0.000 0.266 197 D C 0.876 177.219 176.300 0.071 0.000 1.085 197 D CA 0.090 54.151 54.000 0.102 0.000 0.887 197 D CB 0.269 41.120 40.800 0.085 0.000 1.309 197 D HN 0.197 nan 8.370 nan 0.000 0.498 198 I N 2.160 122.741 120.570 0.018 0.000 2.294 198 I HA 0.092 4.267 4.170 0.008 0.000 0.295 198 I C 1.494 177.649 176.117 0.062 0.000 1.098 198 I CA 0.020 61.265 61.300 -0.092 0.000 1.277 198 I CB 1.201 39.005 38.000 -0.327 0.000 1.434 198 I HN -0.149 nan 8.210 nan 0.000 0.498 199 E N 4.425 124.664 120.200 0.064 0.000 2.204 199 E HA -0.186 4.169 4.350 0.008 0.000 0.194 199 E C 2.077 178.740 176.600 0.106 0.000 0.989 199 E CA 0.993 57.447 56.400 0.089 0.000 0.824 199 E CB 0.252 29.988 29.700 0.060 0.000 0.756 199 E HN 0.851 nan 8.360 nan 0.000 0.477 200 A N -0.056 122.814 122.820 0.084 0.000 2.168 200 A HA -0.101 4.224 4.320 0.008 0.000 0.215 200 A C 1.661 179.300 177.584 0.091 0.000 1.152 200 A CA 0.243 52.318 52.037 0.064 0.000 0.716 200 A CB -0.598 18.412 19.000 0.017 0.000 0.794 200 A HN 0.342 nan 8.150 nan 0.000 0.465 201 F N 1.643 121.602 119.950 0.014 0.000 2.202 201 F HA -0.241 4.291 4.527 0.008 0.000 0.301 201 F C 2.709 178.544 175.800 0.058 0.000 1.082 201 F CA 1.876 59.901 58.000 0.041 0.000 1.313 201 F CB 0.051 39.103 39.000 0.087 0.000 1.024 201 F HN 0.379 nan 8.300 nan 0.000 0.495 202 S N -1.184 114.666 115.700 0.250 0.000 2.474 202 S HA -0.167 4.308 4.470 0.008 0.000 0.235 202 S C 1.537 176.191 174.600 0.089 0.000 0.997 202 S CA 1.167 59.469 58.200 0.170 0.000 0.949 202 S CB -0.484 62.797 63.200 0.135 0.000 0.766 202 S HN 0.336 nan 8.310 nan 0.000 0.517 203 D N 1.793 122.222 120.400 0.047 0.000 2.310 203 D HA 0.063 4.708 4.640 0.008 0.000 0.212 203 D C 1.651 177.951 176.300 -0.000 0.000 0.965 203 D CA 0.562 54.571 54.000 0.015 0.000 0.879 203 D CB -0.244 40.551 40.800 -0.007 0.000 0.921 203 D HN 0.435 nan 8.370 nan 0.000 0.510 204 L N 0.315 121.523 121.223 -0.024 0.000 2.291 204 L HA -0.014 4.331 4.340 0.008 0.000 0.214 204 L C 0.429 177.334 176.870 0.058 0.000 1.120 204 L CA 0.426 55.252 54.840 -0.024 0.000 0.799 204 L CB -0.292 41.696 42.059 -0.119 0.000 0.925 204 L HN -0.004 nan 8.230 nan 0.000 0.446 205 E N 0.718 120.965 120.200 0.078 0.000 2.389 205 E HA -0.215 4.140 4.350 0.008 0.000 0.243 205 E C -0.306 176.373 176.600 0.131 0.000 1.154 205 E CA 0.126 56.585 56.400 0.099 0.000 0.723 205 E CB -1.679 28.084 29.700 0.106 0.000 1.261 205 E HN 0.452 nan 8.360 nan 0.000 0.390 206 L N 0.550 121.848 121.223 0.125 0.000 2.421 206 L HA 0.532 4.876 4.340 0.008 0.000 0.263 206 L C 0.604 177.460 176.870 -0.024 0.000 1.122 206 L CA -0.011 54.904 54.840 0.125 0.000 0.804 206 L CB 0.992 43.154 42.059 0.172 0.000 1.150 206 L HN 0.147 nan 8.230 nan 0.000 0.457 207 K N 0.470 120.771 120.400 -0.165 0.000 2.642 207 K HA 0.441 4.766 4.320 0.008 0.000 0.290 207 K C -2.110 174.502 176.600 0.021 0.000 1.006 207 K CA -1.059 55.125 56.287 -0.170 0.000 0.869 207 K CB 1.963 34.247 32.500 -0.360 0.000 1.499 207 K HN 0.601 nan 8.250 nan 0.000 0.403 208 W N 2.089 123.338 121.300 -0.086 0.000 3.074 208 W HA 0.364 5.029 4.660 0.008 0.000 0.332 208 W C -1.240 175.321 176.519 0.070 0.000 1.253 208 W CA -0.833 56.533 57.345 0.035 0.000 1.180 208 W CB 1.688 31.097 29.460 -0.085 0.000 1.445 208 W HN 0.711 nan 8.180 nan 0.000 0.573 209 Y N 0.302 120.479 120.300 -0.206 0.000 2.298 209 Y HA 0.574 5.128 4.550 0.007 0.000 0.329 209 Y C 1.002 177.040 175.900 0.231 0.000 1.293 209 Y CA 0.113 58.170 58.100 -0.072 0.000 1.388 209 Y CB 0.104 38.396 38.460 -0.281 0.000 1.309 209 Y HN 0.424 nan 8.280 nan 0.000 0.544 210 G N 0.444 109.447 108.800 0.339 0.000 2.453 210 G HA2 0.149 4.113 3.960 0.008 0.000 0.215 210 G HA3 0.149 4.113 3.960 0.008 0.000 0.215 210 G C -0.353 174.832 174.900 0.475 0.000 1.147 210 G CA 0.466 45.790 45.100 0.374 0.000 0.802 210 G HN 0.456 nan 8.290 nan 0.000 0.535 211 V N 2.353 122.516 119.914 0.414 0.000 2.407 211 V HA 0.376 4.501 4.120 0.008 0.000 0.291 211 V C -2.414 173.794 176.094 0.189 0.000 1.018 211 V CA -1.916 60.529 62.300 0.241 0.000 0.842 211 V CB 2.326 34.231 31.823 0.135 0.000 0.996 211 V HN 0.070 nan 8.190 nan 0.000 0.426 212 P HA 0.491 nan 4.420 nan 0.000 0.292 212 P C -0.779 176.414 177.300 -0.178 0.000 1.326 212 P CA -0.127 62.907 63.100 -0.110 0.000 0.787 212 P CB 1.056 32.414 31.700 -0.570 0.000 0.903 213 I N 5.040 125.491 120.570 -0.199 0.000 2.502 213 I HA 0.317 4.492 4.170 0.008 0.000 0.276 213 I C 0.699 176.544 176.117 -0.453 0.000 1.057 213 I CA -0.833 60.277 61.300 -0.317 0.000 1.163 213 I CB 0.987 38.814 38.000 -0.289 0.000 1.288 213 I HN 0.140 nan 8.210 nan 0.000 0.479 214 I N 4.869 125.035 120.570 -0.673 0.000 2.587 214 I HA -0.041 4.134 4.170 0.008 0.000 0.284 214 I C 1.090 176.757 176.117 -0.750 0.000 1.134 214 I CA 0.663 61.477 61.300 -0.810 0.000 1.410 214 I CB 0.701 38.086 38.000 -1.025 0.000 1.392 214 I HN 0.672 nan 8.210 nan 0.000 0.545 215 S N 2.016 117.446 115.700 -0.449 0.000 2.749 215 S HA 0.111 4.585 4.470 0.008 0.000 0.246 215 S C 0.274 174.828 174.600 -0.078 0.000 1.023 215 S CA -0.487 57.568 58.200 -0.242 0.000 1.012 215 S CB -0.070 63.028 63.200 -0.170 0.000 0.942 215 S HN 0.772 nan 8.310 nan 0.000 0.531 216 D N 0.583 120.949 120.400 -0.058 0.000 2.563 216 D HA 0.304 4.948 4.640 0.008 0.000 0.237 216 D C 0.118 176.508 176.300 0.149 0.000 1.282 216 D CA -0.311 53.738 54.000 0.082 0.000 0.816 216 D CB -0.144 40.744 40.800 0.146 0.000 1.066 216 D HN 0.347 nan 8.370 nan 0.000 0.501 217 M N 0.332 120.030 119.600 0.164 0.000 2.528 217 M HA 0.309 4.793 4.480 0.008 0.000 0.318 217 M C 0.005 176.497 176.300 0.320 0.000 1.195 217 M CA -0.839 54.627 55.300 0.277 0.000 1.000 217 M CB 2.659 35.460 32.600 0.335 0.000 1.615 217 M HN -0.214 nan 8.290 nan 0.000 0.469 218 K N 2.317 122.923 120.400 0.344 0.000 2.185 218 K HA 0.460 4.785 4.320 0.008 0.000 0.269 218 K C -1.623 175.191 176.600 0.358 0.000 0.987 218 K CA -0.676 55.815 56.287 0.341 0.000 0.865 218 K CB 1.118 33.803 32.500 0.308 0.000 1.090 218 K HN 0.559 nan 8.250 nan 0.000 0.450 219 L N 3.686 125.085 121.223 0.294 0.000 2.264 219 L HA 0.356 4.701 4.340 0.008 0.000 0.289 219 L C -0.833 176.099 176.870 0.104 0.000 1.044 219 L CA 0.211 55.092 54.840 0.068 0.000 0.807 219 L CB 1.280 43.347 42.059 0.013 0.000 1.192 219 L HN 0.749 nan 8.230 nan 0.000 0.425 220 E N 4.212 124.419 120.200 0.012 0.000 2.129 220 E HA 0.568 4.923 4.350 0.008 0.000 0.268 220 E C -1.765 174.762 176.600 -0.122 0.000 0.900 220 E CA -0.620 55.749 56.400 -0.052 0.000 0.755 220 E CB 1.464 31.122 29.700 -0.071 0.000 1.117 220 E HN 0.565 nan 8.360 nan 0.000 0.410 221 V N 3.732 123.574 119.914 -0.120 0.000 2.482 221 V HA 0.403 4.528 4.120 0.008 0.000 0.295 221 V C 0.606 176.538 176.094 -0.270 0.000 1.026 221 V CA -0.109 62.000 62.300 -0.318 0.000 0.856 221 V CB 1.520 33.083 31.823 -0.433 0.000 1.001 221 V HN 0.981 nan 8.190 nan 0.000 0.424 222 G N 3.590 112.167 108.800 -0.371 0.000 2.305 222 G HA2 0.059 4.023 3.960 0.008 0.000 0.287 222 G HA3 0.059 4.023 3.960 0.008 0.000 0.287 222 G C 1.241 176.233 174.900 0.153 0.000 1.036 222 G CA 0.979 46.078 45.100 -0.002 0.000 0.887 222 G HN 2.361 nan 8.290 nan 0.000 0.505 223 G N -1.855 106.953 108.800 0.013 0.000 2.205 223 G HA2 -0.233 3.732 3.960 0.008 0.000 0.261 223 G HA3 -0.233 3.732 3.960 0.008 0.000 0.261 223 G C 0.346 175.202 174.900 -0.072 0.000 0.980 223 G CA 0.459 45.568 45.100 0.016 0.000 0.632 223 G HN 1.183 nan 8.290 nan 0.000 0.533 224 I N 1.801 122.294 120.570 -0.129 0.000 2.342 224 I HA 0.362 4.537 4.170 0.008 0.000 0.291 224 I C 0.145 176.093 176.117 -0.282 0.000 1.010 224 I CA -1.188 59.985 61.300 -0.212 0.000 1.308 224 I CB 0.628 38.447 38.000 -0.302 0.000 1.400 224 I HN 0.081 nan 8.210 nan 0.000 0.488 225 H N 6.449 125.407 119.070 -0.186 0.000 2.690 225 H HA 0.276 4.836 4.556 0.007 0.000 0.289 225 H C -0.941 174.308 175.328 -0.132 0.000 1.089 225 H CA -0.091 55.903 56.048 -0.091 0.000 1.299 225 H CB 0.053 29.776 29.762 -0.065 0.000 1.405 225 H HN 0.318 nan 8.280 nan 0.000 0.463 226 Y N 3.233 123.594 120.300 0.102 0.000 2.802 226 Y HA 0.028 4.583 4.550 0.008 0.000 0.330 226 Y C 1.500 177.494 175.900 0.157 0.000 1.193 226 Y CA -0.715 57.456 58.100 0.119 0.000 1.427 226 Y CB 0.044 38.562 38.460 0.097 0.000 1.357 226 Y HN 0.723 nan 8.280 nan 0.000 0.501 227 N N 1.251 120.097 118.700 0.243 0.000 2.364 227 N HA -0.103 4.642 4.740 0.008 0.000 0.183 227 N C 0.310 175.950 175.510 0.217 0.000 1.022 227 N CA 0.670 53.846 53.050 0.210 0.000 0.883 227 N CB 0.336 38.905 38.487 0.137 0.000 0.965 227 N HN 0.412 nan 8.380 nan 0.000 0.438 228 A N 0.186 123.156 122.820 0.250 0.000 2.328 228 A HA 0.729 5.053 4.320 0.008 0.000 0.318 228 A C -0.411 177.415 177.584 0.403 0.000 1.347 228 A CA -0.438 51.750 52.037 0.252 0.000 0.842 228 A CB 0.878 19.951 19.000 0.122 0.000 1.148 228 A HN 0.397 nan 8.150 nan 0.000 0.499 229 A N 4.037 127.062 122.820 0.342 0.000 3.044 229 A HA 0.625 4.950 4.320 0.008 0.000 0.289 229 A C -3.181 174.557 177.584 0.256 0.000 1.236 229 A CA -0.897 51.330 52.037 0.316 0.000 0.871 229 A CB 0.210 19.375 19.000 0.274 0.000 1.424 229 A HN 0.475 nan 8.150 nan 0.000 0.564 230 P HA 0.422 nan 4.420 nan 0.000 0.265 230 P C -0.571 176.746 177.300 0.027 0.000 1.193 230 P CA 0.485 63.550 63.100 -0.059 0.000 0.765 230 P CB 0.020 31.618 31.700 -0.169 0.000 0.823 231 F N 0.336 120.191 119.950 -0.158 0.000 2.613 231 F HA 0.721 5.252 4.527 0.006 0.000 0.310 231 F C -0.925 174.749 175.800 -0.210 0.000 1.085 231 F CA -1.090 56.812 58.000 -0.163 0.000 0.945 231 F CB 1.822 40.618 39.000 -0.340 0.000 1.298 231 F HN 0.312 nan 8.300 nan 0.000 0.455 232 N N 0.405 119.156 118.700 0.085 0.000 2.396 232 N HA 0.688 5.433 4.740 0.008 0.000 0.275 232 N C -1.327 174.105 175.510 -0.130 0.000 1.218 232 N CA -0.419 52.607 53.050 -0.040 0.000 0.812 232 N CB 1.968 40.466 38.487 0.020 0.000 1.592 232 N HN 1.085 nan 8.380 nan 0.000 0.480 233 G N -0.515 108.177 108.800 -0.179 0.000 3.264 233 G HA2 0.692 4.657 3.960 0.008 0.000 0.168 233 G HA3 0.692 4.657 3.960 0.008 0.000 0.168 233 G C -1.720 173.135 174.900 -0.075 0.000 1.145 233 G CA -0.774 44.161 45.100 -0.274 0.000 0.855 233 G HN 0.699 nan 8.290 nan 0.000 0.629 234 W N -1.455 119.831 121.300 -0.023 0.000 2.864 234 W HA 0.786 5.449 4.660 0.005 0.000 0.343 234 W C -1.196 175.329 176.519 0.009 0.000 1.109 234 W CA -2.303 55.040 57.345 -0.004 0.000 1.192 234 W CB 0.414 29.897 29.460 0.038 0.000 1.426 234 W HN 0.482 nan 8.180 nan 0.000 0.529 235 Y N 2.612 123.096 120.300 0.307 0.000 2.480 235 Y HA 0.122 4.677 4.550 0.008 0.000 0.338 235 Y C 0.911 176.899 175.900 0.147 0.000 1.220 235 Y CA -0.266 57.919 58.100 0.141 0.000 1.430 235 Y CB 0.963 39.434 38.460 0.017 0.000 1.311 235 Y HN 0.419 nan 8.280 nan 0.000 0.575 236 M N 3.166 122.941 119.600 0.292 0.000 2.129 236 M HA 0.305 4.789 4.480 0.008 0.000 0.348 236 M C 1.116 177.437 176.300 0.035 0.000 1.116 236 M CA -0.062 55.334 55.300 0.161 0.000 1.022 236 M CB 1.154 33.818 32.600 0.107 0.000 1.599 236 M HN 0.888 nan 8.290 nan 0.000 0.449 237 G N 1.971 110.754 108.800 -0.028 0.000 2.606 237 G HA2 -0.367 3.597 3.960 0.008 0.000 0.221 237 G HA3 -0.367 3.597 3.960 0.008 0.000 0.221 237 G C 1.168 175.960 174.900 -0.179 0.000 1.152 237 G CA 2.000 47.014 45.100 -0.142 0.000 0.765 237 G HN 0.884 nan 8.290 nan 0.000 0.595 238 T N -0.873 113.603 114.554 -0.130 0.000 2.849 238 T HA -0.083 4.272 4.350 0.008 0.000 0.270 238 T C 1.952 176.527 174.700 -0.209 0.000 1.066 238 T CA 1.729 63.714 62.100 -0.192 0.000 1.130 238 T CB -0.360 68.355 68.868 -0.255 0.000 0.864 238 T HN 0.558 nan 8.240 nan 0.000 0.481 239 E N 0.799 120.895 120.200 -0.174 0.000 2.118 239 E HA -0.063 4.291 4.350 0.008 0.000 0.195 239 E C 2.031 178.433 176.600 -0.331 0.000 0.992 239 E CA 1.429 57.733 56.400 -0.160 0.000 0.804 239 E CB -0.303 29.417 29.700 0.034 0.000 0.741 239 E HN 0.623 nan 8.360 nan 0.000 0.458 240 I N -0.211 120.055 120.570 -0.507 0.000 2.499 240 I HA -0.025 4.150 4.170 0.008 0.000 0.243 240 I C 2.526 178.346 176.117 -0.494 0.000 1.085 240 I CA 0.847 61.703 61.300 -0.738 0.000 1.422 240 I CB -0.355 37.084 38.000 -0.935 0.000 1.165 240 I HN 0.075 nan 8.210 nan 0.000 0.440 241 G N 0.231 108.828 108.800 -0.340 0.000 2.484 241 G HA2 -0.049 3.916 3.960 0.008 0.000 0.218 241 G HA3 -0.049 3.916 3.960 0.008 0.000 0.218 241 G C 1.515 176.322 174.900 -0.156 0.000 1.130 241 G CA 0.833 45.811 45.100 -0.203 0.000 0.784 241 G HN 0.470 nan 8.290 nan 0.000 0.543 242 A N -0.994 121.716 122.820 -0.183 0.000 2.288 242 A HA 0.447 4.772 4.320 0.008 0.000 0.216 242 A C 2.250 179.743 177.584 -0.152 0.000 1.199 242 A CA 0.229 52.173 52.037 -0.156 0.000 0.891 242 A CB 0.304 19.197 19.000 -0.179 0.000 0.923 242 A HN 0.150 nan 8.150 nan 0.000 0.500 243 R N -0.645 119.749 120.500 -0.176 0.000 2.789 243 R HA 0.151 4.495 4.340 0.008 0.000 0.166 243 R C 1.094 177.315 176.300 -0.130 0.000 0.957 243 R CA 0.623 56.636 56.100 -0.146 0.000 1.084 243 R CB -0.950 29.259 30.300 -0.150 0.000 1.312 243 R HN 0.334 nan 8.270 nan 0.000 0.546 244 N N 1.660 120.226 118.700 -0.224 0.000 2.094 244 N HA -0.099 4.645 4.740 0.008 0.000 0.191 244 N C 1.772 177.194 175.510 -0.147 0.000 1.023 244 N CA 1.293 54.192 53.050 -0.253 0.000 0.857 244 N CB -0.076 37.960 38.487 -0.751 0.000 1.013 244 N HN 0.177 nan 8.380 nan 0.000 0.426 245 L N -0.926 120.167 121.223 -0.217 0.000 2.590 245 L HA 0.304 4.648 4.340 0.008 0.000 0.227 245 L C 1.817 178.699 176.870 0.020 0.000 1.099 245 L CA 0.076 54.874 54.840 -0.070 0.000 0.872 245 L CB 0.124 42.101 42.059 -0.137 0.000 1.088 245 L HN 0.063 nan 8.230 nan 0.000 0.479 246 A N -1.332 121.476 122.820 -0.021 0.000 1.963 246 A HA 0.068 4.393 4.320 0.008 0.000 0.207 246 A C 0.494 178.078 177.584 -0.000 0.000 1.243 246 A CA -0.038 51.994 52.037 -0.008 0.000 0.728 246 A CB 0.029 19.003 19.000 -0.044 0.000 0.895 246 A HN 0.162 nan 8.150 nan 0.000 0.467 247 D N 1.188 121.581 120.400 -0.011 0.000 2.571 247 D HA 0.068 4.712 4.640 0.008 0.000 0.231 247 D C 0.827 177.134 176.300 0.011 0.000 1.133 247 D CA 0.390 54.384 54.000 -0.011 0.000 0.862 247 D CB 0.519 41.310 40.800 -0.015 0.000 1.179 247 D HN 0.443 nan 8.370 nan 0.000 0.474 248 E N 1.282 121.483 120.200 0.001 0.000 2.268 248 E HA -0.155 4.200 4.350 0.008 0.000 0.195 248 E C 0.959 177.559 176.600 0.001 0.000 0.995 248 E CA 0.746 57.151 56.400 0.008 0.000 0.836 248 E CB 0.187 29.889 29.700 0.004 0.000 0.763 248 E HN 0.325 nan 8.360 nan 0.000 0.491 249 K N 0.066 120.464 120.400 -0.004 0.000 2.417 249 K HA 0.088 4.412 4.320 0.008 0.000 0.196 249 K C 0.854 177.448 176.600 -0.010 0.000 1.023 249 K CA -0.043 56.238 56.287 -0.010 0.000 1.122 249 K CB 0.466 32.959 32.500 -0.011 0.000 0.850 249 K HN -0.070 nan 8.250 nan 0.000 0.521 250 R N -0.954 119.551 120.500 0.008 0.000 2.845 250 R HA 0.170 4.515 4.340 0.008 0.000 0.112 250 R C 1.300 177.596 176.300 -0.006 0.000 1.012 250 R CA -0.268 55.851 56.100 0.032 0.000 0.744 250 R CB -0.986 29.393 30.300 0.130 0.000 0.926 250 R HN -0.031 nan 8.270 nan 0.000 0.376 251 Y N 1.605 121.935 120.300 0.051 0.000 2.497 251 Y HA -0.088 4.466 4.550 0.008 0.000 0.292 251 Y C 0.184 176.103 175.900 0.031 0.000 1.137 251 Y CA 1.080 59.211 58.100 0.051 0.000 1.285 251 Y CB -0.241 38.273 38.460 0.091 0.000 0.991 251 Y HN 0.485 nan 8.280 nan 0.000 0.556 252 D N 0.585 121.065 120.400 0.133 0.000 2.802 252 D HA -0.194 4.451 4.640 0.008 0.000 0.229 252 D C 0.410 176.769 176.300 0.099 0.000 1.203 252 D CA 0.428 54.479 54.000 0.085 0.000 0.712 252 D CB -0.441 40.390 40.800 0.051 0.000 0.973 252 D HN 0.165 nan 8.370 nan 0.000 0.407 253 K N 0.803 121.267 120.400 0.106 0.000 2.358 253 K HA 0.177 4.502 4.320 0.008 0.000 0.197 253 K C 2.009 178.663 176.600 0.090 0.000 1.025 253 K CA -0.238 56.105 56.287 0.094 0.000 1.104 253 K CB 0.148 32.705 32.500 0.094 0.000 0.855 253 K HN 0.422 nan 8.250 nan 0.000 0.531 254 L N 0.703 121.995 121.223 0.115 0.000 2.081 254 L HA -0.213 4.132 4.340 0.008 0.000 0.212 254 L C 2.297 179.331 176.870 0.273 0.000 1.080 254 L CA 1.537 56.485 54.840 0.179 0.000 0.754 254 L CB -0.413 41.740 42.059 0.157 0.000 0.893 254 L HN 0.169 nan 8.230 nan 0.000 0.433 255 K N -0.306 120.237 120.400 0.239 0.000 2.057 255 K HA -0.171 4.153 4.320 0.008 0.000 0.206 255 K C 2.283 178.877 176.600 -0.010 0.000 1.050 255 K CA 0.910 57.257 56.287 0.099 0.000 0.935 255 K CB -0.014 32.506 32.500 0.034 0.000 0.715 255 K HN -0.009 nan 8.250 nan 0.000 0.439 256 K N 1.034 121.434 120.400 0.000 0.000 2.097 256 K HA -0.073 4.251 4.320 0.008 0.000 0.205 256 K C 1.937 178.485 176.600 -0.087 0.000 1.050 256 K CA 0.887 57.145 56.287 -0.049 0.000 0.938 256 K CB -0.340 32.138 32.500 -0.037 0.000 0.718 256 K HN -0.044 nan 8.250 nan 0.000 0.442 257 V N 1.171 121.051 119.914 -0.056 0.000 2.343 257 V HA -0.236 3.888 4.120 0.008 0.000 0.247 257 V C 2.447 178.517 176.094 -0.039 0.000 1.051 257 V CA 1.917 64.157 62.300 -0.100 0.000 1.036 257 V CB -0.776 31.060 31.823 0.021 0.000 0.654 257 V HN 0.328 nan 8.190 nan 0.000 0.451 258 A N -0.831 122.008 122.820 0.031 0.000 1.940 258 A HA -0.251 4.074 4.320 0.008 0.000 0.219 258 A C 2.550 180.097 177.584 -0.061 0.000 1.176 258 A CA 2.285 54.337 52.037 0.025 0.000 0.631 258 A CB -0.723 18.281 19.000 0.006 0.000 0.814 258 A HN 0.486 nan 8.150 nan 0.000 0.446 259 S N -0.382 115.259 115.700 -0.098 0.000 2.355 259 S HA -0.142 4.332 4.470 0.008 0.000 0.222 259 S C 2.016 176.561 174.600 -0.091 0.000 1.031 259 S CA 1.953 60.089 58.200 -0.106 0.000 0.993 259 S CB -0.727 62.408 63.200 -0.109 0.000 0.859 259 S HN 0.945 nan 8.310 nan 0.000 0.453 260 V N 1.610 121.455 119.914 -0.115 0.000 2.759 260 V HA 0.028 4.152 4.120 0.008 0.000 0.256 260 V C 1.999 178.051 176.094 -0.069 0.000 1.080 260 V CA 1.606 63.837 62.300 -0.115 0.000 1.101 260 V CB -1.266 30.433 31.823 -0.207 0.000 0.698 260 V HN 0.743 nan 8.190 nan 0.000 0.477 261 I N -1.586 118.958 120.570 -0.044 0.000 3.793 261 I HA 0.589 4.763 4.170 0.008 0.000 0.315 261 I C 1.472 177.581 176.117 -0.012 0.000 1.275 261 I CA 0.642 61.938 61.300 -0.008 0.000 1.214 261 I CB -0.351 37.674 38.000 0.041 0.000 1.018 261 I HN 0.407 nan 8.210 nan 0.000 0.439 262 G N 2.984 111.769 108.800 -0.026 0.000 2.149 262 G HA2 -0.243 3.721 3.960 0.008 0.000 0.235 262 G HA3 -0.243 3.721 3.960 0.008 0.000 0.235 262 G C 0.059 174.947 174.900 -0.020 0.000 1.018 262 G CA 0.382 45.467 45.100 -0.026 0.000 0.728 262 G HN 0.772 nan 8.290 nan 0.000 0.508 263 I N -2.202 118.354 120.570 -0.022 0.000 2.797 263 I HA 0.881 5.056 4.170 0.008 0.000 0.307 263 I C 0.282 176.349 176.117 -0.084 0.000 1.033 263 I CA -0.923 60.368 61.300 -0.014 0.000 1.071 263 I CB 2.134 40.161 38.000 0.046 0.000 1.255 263 I HN 0.119 nan 8.210 nan 0.000 0.445 264 S N 1.546 117.192 115.700 -0.089 0.000 2.584 264 S HA 0.327 4.802 4.470 0.008 0.000 0.273 264 S C 0.749 175.110 174.600 -0.397 0.000 1.311 264 S CA 0.137 58.221 58.200 -0.194 0.000 1.034 264 S CB 0.712 63.843 63.200 -0.115 0.000 0.939 264 S HN 0.879 nan 8.310 nan 0.000 0.513 265 T N 1.492 115.663 114.554 -0.639 0.000 3.215 265 T HA 0.299 4.654 4.350 0.008 0.000 0.271 265 T C 0.758 175.034 174.700 -0.707 0.000 1.012 265 T CA -0.466 60.891 62.100 -1.240 0.000 0.899 265 T CB -0.294 67.693 68.868 -1.469 0.000 1.089 265 T HN 0.492 nan 8.240 nan 0.000 0.552 266 N N 1.149 119.527 118.700 -0.537 0.000 2.207 266 N HA 0.077 4.821 4.740 0.008 0.000 0.182 266 N C -0.656 174.490 175.510 -0.606 0.000 1.020 266 N CA 0.952 53.593 53.050 -0.682 0.000 0.858 266 N CB -0.054 37.733 38.487 -1.168 0.000 0.991 266 N HN 0.572 nan 8.380 nan 0.000 0.427 267 Y N 0.087 120.453 120.300 0.110 0.000 2.376 267 Y HA 0.417 4.972 4.550 0.008 0.000 0.340 267 Y C 0.948 177.001 175.900 0.256 0.000 0.965 267 Y CA -1.096 57.099 58.100 0.157 0.000 1.078 267 Y CB 0.958 39.475 38.460 0.095 0.000 1.193 267 Y HN -0.208 nan 8.280 nan 0.000 0.452 268 N N 0.568 119.466 118.700 0.331 0.000 2.309 268 N HA -0.129 4.616 4.740 0.008 0.000 0.182 268 N C 1.707 177.303 175.510 0.144 0.000 1.018 268 N CA 1.733 54.901 53.050 0.196 0.000 0.876 268 N CB -0.093 38.458 38.487 0.106 0.000 0.972 268 N HN 0.879 nan 8.380 nan 0.000 0.434 269 T N -2.056 112.598 114.554 0.166 0.000 3.051 269 T HA -0.025 4.330 4.350 0.008 0.000 0.269 269 T C 1.071 175.840 174.700 0.115 0.000 1.127 269 T CA 0.781 62.944 62.100 0.104 0.000 1.107 269 T CB 0.049 68.956 68.868 0.064 0.000 0.898 269 T HN -0.052 nan 8.240 nan 0.000 0.517 270 D N 1.289 121.806 120.400 0.194 0.000 2.347 270 D HA 0.167 4.811 4.640 0.008 0.000 0.213 270 D C 1.080 177.477 176.300 0.162 0.000 0.985 270 D CA 0.103 54.218 54.000 0.192 0.000 0.879 270 D CB -0.166 40.798 40.800 0.274 0.000 0.919 270 D HN 0.440 nan 8.370 nan 0.000 0.526 271 L N 0.938 122.232 121.223 0.119 0.000 3.597 271 L HA -0.188 4.157 4.340 0.008 0.000 0.440 271 L C 1.519 178.410 176.870 0.036 0.000 1.277 271 L CA -0.263 54.583 54.840 0.011 0.000 0.852 271 L CB -1.777 40.288 42.059 0.009 0.000 1.708 271 L HN 0.389 nan 8.230 nan 0.000 0.885 272 W N -0.248 121.071 121.300 0.032 0.000 2.402 272 W HA -0.099 4.565 4.660 0.007 0.000 0.286 272 W C 1.650 178.180 176.519 0.018 0.000 1.221 272 W CA 1.171 58.530 57.345 0.023 0.000 1.257 272 W CB -0.563 28.906 29.460 0.015 0.000 1.120 272 W HN 0.315 nan 8.180 nan 0.000 0.551 273 K N 1.107 121.118 120.400 -0.649 0.000 2.057 273 K HA -0.148 4.176 4.320 0.008 0.000 0.206 273 K C 1.476 177.950 176.600 -0.209 0.000 1.050 273 K CA 2.280 58.213 56.287 -0.590 0.000 0.935 273 K CB -0.293 31.711 32.500 -0.827 0.000 0.715 273 K HN 0.063 nan 8.250 nan 0.000 0.439 274 D N 0.421 120.724 120.400 -0.162 0.000 2.144 274 D HA -0.174 4.470 4.640 0.008 0.000 0.200 274 D C 1.936 178.234 176.300 -0.003 0.000 0.978 274 D CA 0.918 54.875 54.000 -0.073 0.000 0.833 274 D CB 0.036 40.801 40.800 -0.059 0.000 0.961 274 D HN 0.202 nan 8.370 nan 0.000 0.470 275 Q N 0.213 120.036 119.800 0.039 0.000 2.123 275 Q HA -0.045 4.300 4.340 0.008 0.000 0.199 275 Q C 2.055 178.120 176.000 0.108 0.000 0.966 275 Q CA 1.154 57.006 55.803 0.082 0.000 0.845 275 Q CB -0.054 28.750 28.738 0.110 0.000 0.907 275 Q HN 0.275 nan 8.270 nan 0.000 0.439 276 A N 0.663 123.564 122.820 0.134 0.000 1.933 276 A HA -0.143 4.181 4.320 0.008 0.000 0.218 276 A C 2.004 179.663 177.584 0.124 0.000 1.175 276 A CA 0.999 53.133 52.037 0.161 0.000 0.628 276 A CB -0.647 18.482 19.000 0.215 0.000 0.814 276 A HN 0.450 nan 8.150 nan 0.000 0.444 277 L N -0.620 120.640 121.223 0.062 0.000 2.083 277 L HA -0.164 4.181 4.340 0.008 0.000 0.209 277 L C 2.528 179.426 176.870 0.046 0.000 1.083 277 L CA 1.002 55.861 54.840 0.030 0.000 0.752 277 L CB -0.385 41.659 42.059 -0.024 0.000 0.899 277 L HN 0.258 nan 8.230 nan 0.000 0.433 278 V N -0.581 119.368 119.914 0.058 0.000 2.295 278 V HA -0.229 3.895 4.120 0.008 0.000 0.246 278 V C 2.479 178.625 176.094 0.086 0.000 1.049 278 V CA 1.585 63.926 62.300 0.068 0.000 1.024 278 V CB -0.427 31.437 31.823 0.068 0.000 0.648 278 V HN 0.427 nan 8.190 nan 0.000 0.447 279 E N -0.200 120.080 120.200 0.132 0.000 2.106 279 E HA -0.160 4.194 4.350 0.008 0.000 0.192 279 E C 2.080 178.774 176.600 0.156 0.000 0.984 279 E CA 0.862 57.373 56.400 0.186 0.000 0.806 279 E CB -0.416 29.444 29.700 0.267 0.000 0.750 279 E HN 0.452 nan 8.360 nan 0.000 0.458 280 L N 1.980 123.328 121.223 0.209 0.000 2.056 280 L HA -0.095 4.250 4.340 0.008 0.000 0.207 280 L C 1.620 178.519 176.870 0.048 0.000 1.078 280 L CA 1.673 56.643 54.840 0.217 0.000 0.749 280 L CB -0.609 41.578 42.059 0.215 0.000 0.901 280 L HN 0.011 nan 8.230 nan 0.000 0.433 281 N N -0.335 118.377 118.700 0.020 0.000 2.244 281 N HA -0.179 4.566 4.740 0.008 0.000 0.183 281 N C 1.770 177.260 175.510 -0.033 0.000 1.016 281 N CA 1.164 54.201 53.050 -0.021 0.000 0.866 281 N CB -0.024 38.458 38.487 -0.008 0.000 0.980 281 N HN 0.446 nan 8.380 nan 0.000 0.430 282 K N 0.949 121.324 120.400 -0.041 0.000 2.097 282 K HA 0.007 4.332 4.320 0.008 0.000 0.205 282 K C 2.101 178.601 176.600 -0.166 0.000 1.050 282 K CA 1.028 57.257 56.287 -0.096 0.000 0.938 282 K CB -0.030 32.394 32.500 -0.127 0.000 0.718 282 K HN 0.089 nan 8.250 nan 0.000 0.442 283 A N 0.731 123.414 122.820 -0.229 0.000 1.933 283 A HA -0.114 4.210 4.320 0.008 0.000 0.218 283 A C 2.285 179.836 177.584 -0.054 0.000 1.175 283 A CA 1.286 53.164 52.037 -0.265 0.000 0.628 283 A CB -0.554 18.126 19.000 -0.533 0.000 0.814 283 A HN 0.075 nan 8.150 nan 0.000 0.444 284 V N 0.085 119.974 119.914 -0.042 0.000 2.343 284 V HA -0.248 3.876 4.120 0.008 0.000 0.247 284 V C 2.562 178.656 176.094 0.001 0.000 1.051 284 V CA 1.985 64.275 62.300 -0.017 0.000 1.036 284 V CB -0.679 31.064 31.823 -0.134 0.000 0.654 284 V HN 0.576 nan 8.190 nan 0.000 0.451 285 L N -1.377 119.833 121.223 -0.021 0.000 2.056 285 L HA -0.188 4.156 4.340 0.008 0.000 0.207 285 L C 2.481 179.396 176.870 0.075 0.000 1.078 285 L CA 1.931 56.774 54.840 0.005 0.000 0.749 285 L CB -0.725 41.334 42.059 -0.000 0.000 0.901 285 L HN 0.423 nan 8.230 nan 0.000 0.433 286 Y N 0.573 120.837 120.300 -0.059 0.000 2.200 286 Y HA -0.237 4.319 4.550 0.009 0.000 0.290 286 Y C 2.711 178.601 175.900 -0.017 0.000 1.137 286 Y CA 1.714 59.775 58.100 -0.065 0.000 1.163 286 Y CB -0.212 38.159 38.460 -0.149 0.000 0.988 286 Y HN 0.055 nan 8.280 nan 0.000 0.518 287 S N -0.492 115.178 115.700 -0.051 0.000 2.368 287 S HA -0.181 4.294 4.470 0.008 0.000 0.224 287 S C 1.702 176.263 174.600 -0.065 0.000 1.029 287 S CA 1.377 59.510 58.200 -0.111 0.000 0.988 287 S CB -0.713 62.517 63.200 0.050 0.000 0.838 287 S HN 0.533 nan 8.310 nan 0.000 0.462 288 Y N 1.883 122.119 120.300 -0.106 0.000 2.181 288 Y HA -0.081 4.474 4.550 0.008 0.000 0.288 288 Y C 2.445 178.284 175.900 -0.101 0.000 1.146 288 Y CA 1.286 59.342 58.100 -0.072 0.000 1.164 288 Y CB -0.343 38.100 38.460 -0.030 0.000 0.982 288 Y HN 0.084 nan 8.280 nan 0.000 0.515 289 K N 1.063 121.476 120.400 0.022 0.000 2.057 289 K HA -0.174 4.151 4.320 0.008 0.000 0.206 289 K C 2.086 178.609 176.600 -0.129 0.000 1.050 289 K CA 1.602 57.857 56.287 -0.053 0.000 0.935 289 K CB -0.284 32.186 32.500 -0.051 0.000 0.715 289 K HN 0.164 nan 8.250 nan 0.000 0.439 290 K N 0.316 120.572 120.400 -0.239 0.000 2.063 290 K HA -0.208 4.117 4.320 0.008 0.000 0.208 290 K C 2.000 178.498 176.600 -0.170 0.000 1.048 290 K CA 1.799 57.928 56.287 -0.262 0.000 0.928 290 K CB -0.082 32.161 32.500 -0.429 0.000 0.713 290 K HN 0.315 nan 8.250 nan 0.000 0.442 291 Q N -0.561 119.141 119.800 -0.163 0.000 2.444 291 Q HA 0.028 4.372 4.340 0.008 0.000 0.206 291 Q C 0.182 176.118 176.000 -0.108 0.000 0.948 291 Q CA 0.579 56.301 55.803 -0.135 0.000 0.946 291 Q CB 0.249 28.888 28.738 -0.165 0.000 1.027 291 Q HN 0.614 nan 8.270 nan 0.000 0.513 292 G N 0.302 109.046 108.800 -0.094 0.000 2.160 292 G HA2 -0.217 3.748 3.960 0.008 0.000 0.244 292 G HA3 -0.217 3.748 3.960 0.008 0.000 0.244 292 G C -0.284 174.581 174.900 -0.057 0.000 1.022 292 G CA 0.302 45.359 45.100 -0.071 0.000 0.741 292 G HN 0.227 nan 8.290 nan 0.000 0.508 293 V N 0.776 120.665 119.914 -0.043 0.000 2.435 293 V HA 0.583 4.708 4.120 0.008 0.000 0.290 293 V C 1.035 177.180 176.094 0.084 0.000 1.030 293 V CA -0.373 61.934 62.300 0.011 0.000 0.881 293 V CB 1.725 33.527 31.823 -0.034 0.000 0.983 293 V HN 0.405 nan 8.190 nan 0.000 0.445 294 S N 4.863 120.578 115.700 0.025 0.000 2.552 294 S HA 0.472 4.946 4.470 0.008 0.000 0.289 294 S C -0.225 174.396 174.600 0.036 0.000 1.304 294 S CA 0.321 58.468 58.200 -0.088 0.000 1.063 294 S CB 0.075 63.110 63.200 -0.275 0.000 0.848 294 S HN 0.635 nan 8.310 nan 0.000 0.499 295 I N 2.126 122.656 120.570 -0.066 0.000 2.947 295 I HA 0.581 4.756 4.170 0.008 0.000 0.301 295 I C -1.664 174.458 176.117 0.008 0.000 1.453 295 I CA -0.639 60.681 61.300 0.033 0.000 0.984 295 I CB 1.768 39.754 38.000 -0.024 0.000 1.333 295 I HN 0.453 nan 8.210 nan 0.000 0.475 296 V N 5.395 125.389 119.914 0.133 0.000 2.760 296 V HA 0.473 4.597 4.120 0.008 0.000 0.309 296 V C -1.299 174.865 176.094 0.118 0.000 1.077 296 V CA -0.436 61.955 62.300 0.151 0.000 0.910 296 V CB 2.109 34.127 31.823 0.326 0.000 1.008 296 V HN 0.815 nan 8.190 nan 0.000 0.424 297 D N 5.166 125.614 120.400 0.080 0.000 2.329 297 D HA 0.126 4.770 4.640 0.008 0.000 0.246 297 D C 0.993 177.312 176.300 0.031 0.000 1.111 297 D CA -0.087 53.938 54.000 0.042 0.000 0.941 297 D CB 0.868 41.664 40.800 -0.008 0.000 1.169 297 D HN 0.824 nan 8.370 nan 0.000 0.441 298 H N 0.977 119.985 119.070 -0.103 0.000 2.423 298 H HA -0.131 4.429 4.556 0.007 0.000 0.297 298 H C 1.052 176.295 175.328 -0.140 0.000 1.075 298 H CA 1.398 57.350 56.048 -0.159 0.000 1.342 298 H CB -0.814 28.799 29.762 -0.249 0.000 1.395 298 H HN 0.592 nan 8.280 nan 0.000 0.530 299 H N 0.742 119.679 119.070 -0.221 0.000 2.326 299 H HA -0.030 4.530 4.556 0.008 0.000 0.301 299 H C 2.209 177.563 175.328 0.043 0.000 1.081 299 H CA 1.966 57.971 56.048 -0.072 0.000 1.334 299 H CB -0.021 29.661 29.762 -0.133 0.000 1.385 299 H HN 0.288 nan 8.280 nan 0.000 0.504 300 T N 0.517 115.159 114.554 0.147 0.000 2.746 300 T HA -0.180 4.174 4.350 0.008 0.000 0.267 300 T C 2.371 177.189 174.700 0.197 0.000 1.039 300 T CA 1.119 63.314 62.100 0.158 0.000 1.142 300 T CB -0.475 68.475 68.868 0.137 0.000 0.866 300 T HN 0.500 nan 8.240 nan 0.000 0.444 301 A N 1.538 124.471 122.820 0.188 0.000 1.883 301 A HA 0.088 4.412 4.320 0.008 0.000 0.217 301 A C 2.657 180.381 177.584 0.232 0.000 1.186 301 A CA 1.956 54.122 52.037 0.214 0.000 0.624 301 A CB -1.169 17.931 19.000 0.167 0.000 0.822 301 A HN 0.515 nan 8.150 nan 0.000 0.444 302 A N -1.040 121.915 122.820 0.225 0.000 1.933 302 A HA -0.093 4.232 4.320 0.008 0.000 0.218 302 A C 2.463 180.316 177.584 0.447 0.000 1.175 302 A CA 2.127 54.361 52.037 0.328 0.000 0.628 302 A CB -0.927 18.236 19.000 0.271 0.000 0.814 302 A HN 0.541 nan 8.150 nan 0.000 0.444 303 S N -0.771 115.114 115.700 0.310 0.000 2.368 303 S HA -0.233 4.241 4.470 0.008 0.000 0.225 303 S C 2.160 176.880 174.600 0.201 0.000 1.030 303 S CA 1.798 60.134 58.200 0.227 0.000 0.999 303 S CB -0.331 62.972 63.200 0.172 0.000 0.844 303 S HN 0.698 nan 8.310 nan 0.000 0.459 304 Q N -0.795 119.141 119.800 0.227 0.000 2.079 304 Q HA -0.063 4.282 4.340 0.008 0.000 0.200 304 Q C 1.836 177.959 176.000 0.204 0.000 0.974 304 Q CA 1.569 57.477 55.803 0.176 0.000 0.840 304 Q CB -0.306 28.552 28.738 0.201 0.000 0.898 304 Q HN 0.651 nan 8.270 nan 0.000 0.430 305 F N 1.746 121.782 119.950 0.143 0.000 2.269 305 F HA -0.151 4.380 4.527 0.007 0.000 0.301 305 F C 2.069 178.043 175.800 0.291 0.000 1.082 305 F CA 1.296 59.418 58.000 0.204 0.000 1.360 305 F CB 0.028 39.145 39.000 0.195 0.000 1.041 305 F HN -0.137 nan 8.300 nan 0.000 0.512 306 K N 0.091 120.607 120.400 0.194 0.000 2.097 306 K HA -0.201 4.124 4.320 0.008 0.000 0.205 306 K C 2.401 178.944 176.600 -0.096 0.000 1.050 306 K CA 1.248 57.479 56.287 -0.093 0.000 0.938 306 K CB -0.177 32.142 32.500 -0.301 0.000 0.718 306 K HN 0.167 nan 8.250 nan 0.000 0.442 307 R N -0.463 120.028 120.500 -0.016 0.000 2.148 307 R HA -0.104 4.240 4.340 0.008 0.000 0.227 307 R C 2.010 178.300 176.300 -0.017 0.000 1.103 307 R CA 1.133 57.221 56.100 -0.021 0.000 0.983 307 R CB -0.284 30.019 30.300 0.005 0.000 0.874 307 R HN 0.237 nan 8.270 nan 0.000 0.451 308 F N 1.555 121.414 119.950 -0.152 0.000 2.113 308 F HA -0.097 4.434 4.527 0.008 0.000 0.297 308 F C 1.592 177.276 175.800 -0.193 0.000 1.103 308 F CA 1.730 59.632 58.000 -0.163 0.000 1.248 308 F CB -0.187 38.715 39.000 -0.164 0.000 0.999 308 F HN 0.040 nan 8.300 nan 0.000 0.475 309 E N 0.102 120.053 120.200 -0.417 0.000 2.085 309 E HA -0.251 4.103 4.350 0.008 0.000 0.194 309 E C 2.064 178.475 176.600 -0.316 0.000 0.994 309 E CA 1.811 57.954 56.400 -0.427 0.000 0.801 309 E CB -0.313 29.231 29.700 -0.259 0.000 0.743 309 E HN 0.598 nan 8.360 nan 0.000 0.453 310 E N 0.769 120.837 120.200 -0.220 0.000 2.072 310 E HA -0.197 4.158 4.350 0.008 0.000 0.191 310 E C 2.204 178.710 176.600 -0.158 0.000 0.985 310 E CA 0.873 57.179 56.400 -0.156 0.000 0.801 310 E CB -0.022 29.614 29.700 -0.108 0.000 0.750 310 E HN 0.284 nan 8.360 nan 0.000 0.452 311 Q N 0.395 120.092 119.800 -0.172 0.000 2.084 311 Q HA -0.174 4.170 4.340 0.008 0.000 0.202 311 Q C 2.058 177.952 176.000 -0.178 0.000 0.978 311 Q CA 0.901 56.627 55.803 -0.129 0.000 0.844 311 Q CB 0.063 28.765 28.738 -0.060 0.000 0.898 311 Q HN 0.195 nan 8.270 nan 0.000 0.426 312 E N 0.693 120.688 120.200 -0.342 0.000 2.110 312 E HA -0.199 4.156 4.350 0.008 0.000 0.193 312 E C 1.809 178.281 176.600 -0.212 0.000 0.988 312 E CA 0.990 57.184 56.400 -0.344 0.000 0.804 312 E CB 0.004 29.366 29.700 -0.563 0.000 0.745 312 E HN 0.283 nan 8.360 nan 0.000 0.458 313 E N 1.379 121.464 120.200 -0.192 0.000 2.072 313 E HA -0.183 4.172 4.350 0.008 0.000 0.191 313 E C 1.940 178.483 176.600 -0.095 0.000 0.985 313 E CA 1.404 57.726 56.400 -0.129 0.000 0.801 313 E CB -0.114 29.517 29.700 -0.116 0.000 0.750 313 E HN 0.293 nan 8.360 nan 0.000 0.452 314 E N -0.800 119.346 120.200 -0.090 0.000 2.204 314 E HA -0.156 4.198 4.350 0.008 0.000 0.195 314 E C 1.533 178.105 176.600 -0.047 0.000 0.990 314 E CA 0.964 57.328 56.400 -0.060 0.000 0.821 314 E CB -0.141 29.527 29.700 -0.053 0.000 0.750 314 E HN 0.318 nan 8.360 nan 0.000 0.477 315 A N -0.166 122.621 122.820 -0.055 0.000 2.178 315 A HA 0.245 4.570 4.320 0.008 0.000 0.211 315 A C 1.698 179.258 177.584 -0.041 0.000 1.157 315 A CA 0.931 52.948 52.037 -0.033 0.000 0.780 315 A CB -0.081 18.907 19.000 -0.020 0.000 0.828 315 A HN 0.446 nan 8.150 nan 0.000 0.476 316 G N -0.959 107.807 108.800 -0.057 0.000 2.131 316 G HA2 -0.205 3.760 3.960 0.008 0.000 0.223 316 G HA3 -0.205 3.760 3.960 0.008 0.000 0.223 316 G C 0.138 175.000 174.900 -0.062 0.000 0.990 316 G CA 0.111 45.180 45.100 -0.053 0.000 0.671 316 G HN 0.587 nan 8.290 nan 0.000 0.521 317 R N -0.164 120.284 120.500 -0.086 0.000 2.604 317 R HA 0.582 4.926 4.340 0.008 0.000 0.287 317 R C -0.077 176.160 176.300 -0.105 0.000 0.970 317 R CA -0.875 55.167 56.100 -0.096 0.000 0.946 317 R CB 1.000 31.224 30.300 -0.126 0.000 1.127 317 R HN 0.041 nan 8.270 nan 0.000 0.473 318 K N 1.207 121.559 120.400 -0.080 0.000 2.202 318 K HA 0.201 4.526 4.320 0.008 0.000 0.264 318 K C -0.548 176.010 176.600 -0.069 0.000 1.010 318 K CA -0.408 55.840 56.287 -0.064 0.000 0.940 318 K CB 0.386 32.864 32.500 -0.037 0.000 0.983 318 K HN 0.219 nan 8.250 nan 0.000 0.475 319 L N 1.514 122.712 121.223 -0.042 0.000 2.307 319 L HA 0.503 4.847 4.340 0.008 0.000 0.284 319 L C -0.672 176.249 176.870 0.086 0.000 1.023 319 L CA 0.217 55.057 54.840 0.001 0.000 0.810 319 L CB 1.344 43.405 42.059 0.003 0.000 1.231 319 L HN 0.825 nan 8.230 nan 0.000 0.423 320 T N 1.393 116.017 114.554 0.115 0.000 2.893 320 T HA 0.987 5.342 4.350 0.008 0.000 0.291 320 T C -0.253 174.551 174.700 0.172 0.000 1.028 320 T CA -0.326 61.852 62.100 0.131 0.000 0.995 320 T CB 1.776 70.682 68.868 0.064 0.000 1.051 320 T HN 1.042 nan 8.240 nan 0.000 0.470 321 G N 0.428 109.330 108.800 0.171 0.000 2.489 321 G HA2 0.466 4.431 3.960 0.008 0.000 0.291 321 G HA3 0.466 4.431 3.960 0.008 0.000 0.291 321 G C -2.216 172.738 174.900 0.089 0.000 1.487 321 G CA -0.752 44.401 45.100 0.089 0.000 0.795 321 G HN 0.760 nan 8.290 nan 0.000 0.513 322 D N 0.029 120.434 120.400 0.008 0.000 2.460 322 D HA 0.189 4.834 4.640 0.008 0.000 0.232 322 D C 0.748 177.132 176.300 0.139 0.000 1.079 322 D CA -0.854 53.196 54.000 0.085 0.000 0.864 322 D CB 0.966 41.761 40.800 -0.009 0.000 1.048 322 D HN 0.397 nan 8.370 nan 0.000 0.523 323 W N 3.160 124.495 121.300 0.059 0.000 2.305 323 W HA -0.297 4.368 4.660 0.008 0.000 0.308 323 W C 2.203 178.767 176.519 0.075 0.000 1.226 323 W CA 2.736 60.130 57.345 0.082 0.000 1.253 323 W CB -0.155 29.399 29.460 0.156 0.000 1.146 323 W HN 0.497 nan 8.180 nan 0.000 0.507 324 T N -3.576 111.238 114.554 0.432 0.000 2.977 324 T HA -0.237 4.118 4.350 0.008 0.000 0.271 324 T C 1.259 176.072 174.700 0.188 0.000 1.105 324 T CA 1.388 63.680 62.100 0.321 0.000 1.116 324 T CB -0.668 68.432 68.868 0.387 0.000 0.878 324 T HN 0.312 nan 8.240 nan 0.000 0.509 325 W N 0.049 121.302 121.300 -0.077 0.000 2.871 325 W HA 0.544 5.208 4.660 0.007 0.000 0.267 325 W C 1.885 178.275 176.519 -0.214 0.000 1.180 325 W CA -0.733 56.544 57.345 -0.113 0.000 1.463 325 W CB 0.066 29.486 29.460 -0.065 0.000 0.966 325 W HN 0.156 nan 8.180 nan 0.000 0.605 326 L N 0.813 121.982 121.223 -0.091 0.000 2.156 326 L HA 0.001 4.345 4.340 0.008 0.000 0.208 326 L C 1.146 177.809 176.870 -0.346 0.000 1.095 326 L CA 0.487 55.146 54.840 -0.302 0.000 0.770 326 L CB -0.846 40.936 42.059 -0.462 0.000 0.914 326 L HN -0.145 nan 8.230 nan 0.000 0.439 327 I N -0.717 119.596 120.570 -0.428 0.000 2.588 327 I HA 0.196 4.370 4.170 0.008 0.000 0.283 327 I C -2.029 173.917 176.117 -0.285 0.000 1.119 327 I CA -1.836 59.217 61.300 -0.412 0.000 1.419 327 I CB -0.153 37.474 38.000 -0.623 0.000 1.394 327 I HN -0.156 nan 8.210 nan 0.000 0.562 328 P HA 0.192 nan 4.420 nan 0.000 0.274 328 P C -2.143 174.999 177.300 -0.263 0.000 1.231 328 P CA -1.481 61.468 63.100 -0.251 0.000 0.790 328 P CB 0.263 31.800 31.700 -0.271 0.000 0.951 329 P HA 0.069 nan 4.420 nan 0.000 0.242 329 P C 0.216 177.379 177.300 -0.228 0.000 1.197 329 P CA 1.039 64.000 63.100 -0.233 0.000 0.765 329 P CB 0.376 31.942 31.700 -0.224 0.000 0.936 330 I N -0.785 119.599 120.570 -0.310 0.000 2.582 330 I HA 0.103 4.278 4.170 0.008 0.000 0.292 330 I C 0.479 176.470 176.117 -0.210 0.000 1.066 330 I CA -0.863 60.280 61.300 -0.262 0.000 1.053 330 I CB 1.491 39.300 38.000 -0.318 0.000 1.241 330 I HN -0.211 nan 8.210 nan 0.000 0.421 331 S N 5.250 120.900 115.700 -0.082 0.000 3.477 331 S HA -0.098 4.376 4.470 0.008 0.000 0.371 331 S C -1.228 173.346 174.600 -0.043 0.000 0.965 331 S CA 0.336 58.529 58.200 -0.012 0.000 1.239 331 S CB -1.088 62.199 63.200 0.146 0.000 0.918 331 S HN 0.645 nan 8.310 nan 0.000 0.498 332 P HA -0.108 nan 4.420 nan 0.000 0.216 332 P C 1.347 178.507 177.300 -0.234 0.000 1.150 332 P CA 1.552 64.580 63.100 -0.120 0.000 0.837 332 P CB -0.068 31.596 31.700 -0.060 0.000 0.786 333 A N 0.047 122.513 122.820 -0.590 0.000 2.216 333 A HA 0.128 4.452 4.320 0.008 0.000 0.214 333 A C 2.201 179.730 177.584 -0.091 0.000 1.160 333 A CA 1.308 52.867 52.037 -0.796 0.000 0.725 333 A CB -1.135 17.340 19.000 -0.876 0.000 0.784 333 A HN 0.259 nan 8.150 nan 0.000 0.472 334 A N -0.395 122.432 122.820 0.012 0.000 2.251 334 A HA 0.344 4.669 4.320 0.008 0.000 0.209 334 A C 1.291 179.011 177.584 0.227 0.000 1.187 334 A CA 1.015 53.138 52.037 0.142 0.000 0.823 334 A CB -0.521 18.579 19.000 0.167 0.000 0.846 334 A HN 0.587 nan 8.150 nan 0.000 0.486 335 T N -3.892 110.798 114.554 0.227 0.000 2.950 335 T HA 0.381 4.736 4.350 0.008 0.000 0.288 335 T C 1.091 176.000 174.700 0.349 0.000 1.035 335 T CA 0.100 62.361 62.100 0.268 0.000 1.028 335 T CB 0.778 69.750 68.868 0.172 0.000 1.109 335 T HN 0.444 nan 8.240 nan 0.000 0.514 336 H N 1.274 120.537 119.070 0.321 0.000 2.423 336 H HA 0.006 4.566 4.556 0.007 0.000 0.297 336 H C 1.734 177.309 175.328 0.412 0.000 1.075 336 H CA 1.295 57.561 56.048 0.362 0.000 1.342 336 H CB -0.487 29.432 29.762 0.262 0.000 1.395 336 H HN 0.662 nan 8.280 nan 0.000 0.530 337 I N 0.426 120.809 120.570 -0.311 0.000 2.194 337 I HA -0.293 3.882 4.170 0.008 0.000 0.246 337 I C 2.573 178.831 176.117 0.235 0.000 1.093 337 I CA 1.788 63.073 61.300 -0.025 0.000 1.355 337 I CB -0.646 37.277 38.000 -0.128 0.000 1.046 337 I HN 0.101 nan 8.210 nan 0.000 0.413 338 F N 1.500 121.458 119.950 0.014 0.000 2.161 338 F HA -0.240 4.292 4.527 0.007 0.000 0.300 338 F C 2.122 178.026 175.800 0.173 0.000 1.089 338 F CA 1.815 59.846 58.000 0.051 0.000 1.282 338 F CB -0.372 38.499 39.000 -0.215 0.000 1.010 338 F HN 0.146 nan 8.300 nan 0.000 0.485 339 H N -0.290 119.063 119.070 0.472 0.000 2.555 339 H HA 0.207 4.767 4.556 0.008 0.000 0.283 339 H C 0.184 175.624 175.328 0.187 0.000 1.037 339 H CA -0.020 56.220 56.048 0.320 0.000 1.169 339 H CB -0.086 29.866 29.762 0.317 0.000 1.375 339 H HN 0.284 nan 8.280 nan 0.000 0.582 340 R N -1.109 119.547 120.500 0.260 0.000 2.846 340 R HA 0.636 4.981 4.340 0.008 0.000 0.263 340 R C -1.020 175.265 176.300 -0.024 0.000 1.080 340 R CA -0.969 55.172 56.100 0.069 0.000 0.961 340 R CB 1.148 31.448 30.300 0.000 0.000 1.231 340 R HN 0.060 nan 8.270 nan 0.000 0.465 341 S N -0.620 114.949 115.700 -0.219 0.000 2.607 341 S HA 0.671 5.146 4.470 0.008 0.000 0.303 341 S C -1.144 173.232 174.600 -0.372 0.000 1.086 341 S CA -0.752 57.330 58.200 -0.197 0.000 0.995 341 S CB 1.027 64.134 63.200 -0.156 0.000 1.084 341 S HN 0.514 nan 8.310 nan 0.000 0.507 342 Y N -0.406 119.970 120.300 0.126 0.000 2.524 342 Y HA 0.484 5.039 4.550 0.008 0.000 0.347 342 Y C -0.596 175.355 175.900 0.085 0.000 1.005 342 Y CA -0.979 57.202 58.100 0.135 0.000 1.025 342 Y CB 1.556 40.145 38.460 0.214 0.000 1.275 342 Y HN 0.745 nan 8.280 nan 0.000 0.460 343 D N 1.289 121.820 120.400 0.218 0.000 2.339 343 D HA 0.074 4.719 4.640 0.008 0.000 0.241 343 D C -0.135 176.242 176.300 0.127 0.000 1.183 343 D CA -0.034 54.042 54.000 0.126 0.000 0.859 343 D CB 0.518 41.364 40.800 0.078 0.000 1.067 343 D HN 0.450 nan 8.370 nan 0.000 0.484 344 N N 2.408 121.170 118.700 0.103 0.000 2.843 344 N HA 0.057 4.801 4.740 0.008 0.000 0.284 344 N C -0.969 174.568 175.510 0.043 0.000 1.274 344 N CA -0.127 52.968 53.050 0.074 0.000 1.045 344 N CB -0.050 38.481 38.487 0.074 0.000 1.370 344 N HN 0.128 nan 8.380 nan 0.000 0.525 345 S N 0.176 115.902 115.700 0.042 0.000 2.610 345 S HA 0.390 4.865 4.470 0.008 0.000 0.273 345 S C 0.162 174.774 174.600 0.021 0.000 1.274 345 S CA -0.607 57.612 58.200 0.031 0.000 1.023 345 S CB 1.046 64.264 63.200 0.029 0.000 0.962 345 S HN 0.145 nan 8.310 nan 0.000 0.523 346 I N 3.183 123.770 120.570 0.029 0.000 2.315 346 I HA 0.344 4.518 4.170 0.008 0.000 0.291 346 I C -0.325 175.817 176.117 0.041 0.000 1.006 346 I CA -0.316 61.004 61.300 0.033 0.000 1.265 346 I CB 0.668 38.720 38.000 0.087 0.000 1.387 346 I HN 0.238 nan 8.210 nan 0.000 0.475 347 V N 7.168 127.093 119.914 0.019 0.000 2.604 347 V HA 0.453 4.577 4.120 0.008 0.000 0.305 347 V C 0.119 176.228 176.094 0.025 0.000 1.043 347 V CA -0.994 61.319 62.300 0.021 0.000 0.888 347 V CB 2.371 34.192 31.823 -0.003 0.000 0.995 347 V HN 0.626 nan 8.190 nan 0.000 0.429 348 K N 4.098 124.529 120.400 0.053 0.000 2.156 348 K HA 0.586 4.910 4.320 0.008 0.000 0.250 348 K C -2.538 174.092 176.600 0.051 0.000 0.955 348 K CA -1.682 54.642 56.287 0.061 0.000 0.855 348 K CB 1.580 34.139 32.500 0.098 0.000 1.101 348 K HN 0.472 nan 8.250 nan 0.000 0.434 349 P HA 0.081 nan 4.420 nan 0.000 0.272 349 P C -0.890 176.326 177.300 -0.140 0.000 1.223 349 P CA -0.111 62.954 63.100 -0.059 0.000 0.784 349 P CB 0.627 32.252 31.700 -0.124 0.000 0.923 350 N N -0.145 118.423 118.700 -0.220 0.000 3.179 350 N HA 0.270 5.015 4.740 0.008 0.000 0.250 350 N C -1.660 173.428 175.510 -0.703 0.000 1.507 350 N CA -0.432 52.342 53.050 -0.461 0.000 0.883 350 N CB 0.850 39.030 38.487 -0.512 0.000 1.435 350 N HN 0.199 nan 8.380 nan 0.000 0.532 351 Y N 0.367 120.337 120.300 -0.549 0.000 2.361 351 Y HA 0.591 5.145 4.550 0.007 0.000 0.332 351 Y C -0.250 175.230 175.900 -0.700 0.000 1.101 351 Y CA -0.259 57.607 58.100 -0.390 0.000 1.137 351 Y CB 0.998 39.287 38.460 -0.286 0.000 1.207 351 Y HN 0.268 nan 8.280 nan 0.000 0.463 352 F N 0.403 120.394 119.950 0.070 0.000 2.603 352 F HA 0.480 5.012 4.527 0.007 0.000 0.317 352 F C -0.940 174.897 175.800 0.062 0.000 1.066 352 F CA -1.473 56.513 58.000 -0.024 0.000 0.941 352 F CB 1.039 40.051 39.000 0.021 0.000 1.291 352 F HN 0.251 nan 8.300 nan 0.000 0.472 353 Y N 1.215 121.686 120.300 0.284 0.000 2.301 353 Y HA 0.437 4.992 4.550 0.007 0.000 0.328 353 Y C 0.058 176.050 175.900 0.154 0.000 1.242 353 Y CA -1.023 57.185 58.100 0.179 0.000 1.323 353 Y CB 0.669 39.204 38.460 0.124 0.000 1.266 353 Y HN 0.443 nan 8.280 nan 0.000 0.527 354 Q N 0.065 120.031 119.800 0.276 0.000 2.416 354 Q HA 0.429 4.773 4.340 0.008 0.000 0.281 354 Q C -1.687 174.336 176.000 0.038 0.000 1.067 354 Q CA -1.259 54.627 55.803 0.138 0.000 0.809 354 Q CB 2.020 30.832 28.738 0.124 0.000 1.418 354 Q HN 0.411 nan 8.270 nan 0.000 0.411 355 D N 1.766 122.154 120.400 -0.020 0.000 2.443 355 D HA 0.079 4.723 4.640 0.008 0.000 0.239 355 D C -0.570 175.617 176.300 -0.188 0.000 1.136 355 D CA 0.354 54.292 54.000 -0.102 0.000 0.879 355 D CB 0.741 41.482 40.800 -0.099 0.000 1.195 355 D HN 0.274 nan 8.370 nan 0.000 0.443 356 K N 3.126 123.337 120.400 -0.314 0.000 2.297 356 K HA 0.142 4.466 4.320 0.008 0.000 0.286 356 K C -1.506 174.715 176.600 -0.631 0.000 1.053 356 K CA -1.312 54.639 56.287 -0.561 0.000 0.940 356 K CB 1.050 33.003 32.500 -0.911 0.000 1.019 356 K HN 0.113 nan 8.250 nan 0.000 0.475 357 P HA -0.187 nan 4.420 nan 0.000 0.215 357 P C -0.055 176.858 177.300 -0.644 0.000 1.153 357 P CA 1.322 63.993 63.100 -0.715 0.000 0.853 357 P CB 0.001 30.947 31.700 -1.256 0.000 0.788 358 Y N -1.047 118.827 120.300 -0.711 0.000 2.433 358 Y HA 0.267 4.822 4.550 0.008 0.000 0.411 358 Y C 1.004 176.791 175.900 -0.189 0.000 1.383 358 Y CA -1.470 56.420 58.100 -0.349 0.000 1.896 358 Y CB -0.851 37.492 38.460 -0.195 0.000 1.750 358 Y HN -0.099 nan 8.280 nan 0.000 0.627 359 E N 0.000 120.221 120.200 0.036 0.000 2.725 359 E HA 0.000 4.355 4.350 0.008 0.000 0.291 359 E CA 0.000 56.376 56.400 -0.040 0.000 0.976 359 E CB 0.000 29.599 29.700 -0.168 0.000 0.812 359 E HN 0.000 nan 8.360 nan 0.000 0.440