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 1m22_1_B DATA FIRST_RESID 42 DATA SEQUENCE PFPYAETDVA DLQARMTAGE LDSTTLTQAY LQRIAALDRT GPRLRAVIEL DATA SEQUENCE NPDALKEAAE RDRERRDGRL RGPLHGIPLL LKDNINAAPM ATSAGSLALQ DATA SEQUENCE GFRPDDAYLV RRLRDAGAVV LGKTNLSEWA NFRGNDSISG WSARGGQTRN DATA SEQUENCE PYRISHSPCG SSSGSAVAVA ANLASVAIGT ETDGSIVCPA AINGVVGLKP DATA SEQUENCE TVGLVSRDGI IPISFSQDTA GPMARSVADA AAVLTAIAGR DDADPATATM DATA SEQUENCE PGRAVYDYTA RLDPQGLRGK RIGLLQTPLL KYRGMPPLIE QAATELRRAG DATA SEQUENCE AVVVPVELPN QGAWAEAERT LLLYEFKAGL ERYFNTHRAP LRSLADLIAF DATA SEQUENCE NQAHSKQELG LFGQELLVEA DATAGLADPA YIRARSDARR LAGPEGIDAA DATA SEQUENCE LAAHQLDALV APTTGVAWPI RSXXXDFPGE SYSAAAVAGY PSLTVPMGQI DATA SEQUENCE DGLPVGLLFM GTAWSEPKLI EMAYAYEQRT RARRPPHFDT 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 42 P HA 0.000 nan 4.420 nan 0.000 0.216 42 P C 0.000 177.323 177.300 0.038 0.000 1.155 42 P CA 0.000 63.115 63.100 0.026 0.000 0.800 42 P CB 0.000 31.700 31.700 -0.001 0.000 0.726 43 F N 6.042 125.941 119.950 -0.086 0.000 2.549 43 F HA 0.069 4.596 4.527 0.001 0.000 0.400 43 F C -0.607 175.066 175.800 -0.211 0.000 1.011 43 F CA -1.021 56.905 58.000 -0.124 0.000 1.148 43 F CB 0.467 39.438 39.000 -0.048 0.000 0.993 43 F HN 0.212 nan 8.300 nan 0.000 0.540 44 P HA -0.214 nan 4.420 nan 0.000 0.226 44 P C 0.162 176.817 177.300 -1.075 0.000 1.146 44 P CA 1.691 64.233 63.100 -0.929 0.000 0.773 44 P CB -0.122 30.907 31.700 -1.120 0.000 0.772 45 Y N -0.876 118.954 120.300 -0.784 0.000 2.557 45 Y HA 0.498 5.049 4.550 0.001 0.000 0.247 45 Y C 1.363 177.229 175.900 -0.057 0.000 1.164 45 Y CA -1.260 56.568 58.100 -0.452 0.000 1.218 45 Y CB -0.706 37.383 38.460 -0.618 0.000 1.210 45 Y HN -0.120 nan 8.280 nan 0.000 0.529 46 A N 1.135 124.053 122.820 0.163 0.000 2.546 46 A HA 0.207 4.528 4.320 0.001 0.000 0.243 46 A C 0.955 178.659 177.584 0.200 0.000 1.063 46 A CA 0.147 52.389 52.037 0.342 0.000 0.757 46 A CB -0.024 19.157 19.000 0.303 0.000 0.991 46 A HN 0.490 nan 8.150 nan 0.000 0.503 47 E N 0.078 120.405 120.200 0.212 0.000 3.065 47 E HA -0.161 4.190 4.350 0.001 0.000 0.277 47 E C -0.076 176.604 176.600 0.133 0.000 1.008 47 E CA 1.684 58.175 56.400 0.152 0.000 0.864 47 E CB -2.685 27.084 29.700 0.114 0.000 1.439 47 E HN 0.753 nan 8.360 nan 0.000 0.445 48 T N 2.249 116.898 114.554 0.158 0.000 2.749 48 T HA 0.201 4.551 4.350 0.001 0.000 0.295 48 T C 0.287 175.065 174.700 0.130 0.000 0.936 48 T CA -0.592 61.587 62.100 0.131 0.000 1.060 48 T CB 1.148 70.102 68.868 0.142 0.000 0.904 48 T HN -0.050 nan 8.240 nan 0.000 0.500 49 D N 2.168 122.629 120.400 0.102 0.000 2.368 49 D HA 0.038 4.679 4.640 0.001 0.000 0.240 49 D C 1.600 177.950 176.300 0.083 0.000 1.169 49 D CA -0.306 53.750 54.000 0.093 0.000 0.906 49 D CB 1.200 42.050 40.800 0.084 0.000 1.187 49 D HN 0.143 nan 8.370 nan 0.000 0.435 50 V N 1.821 121.779 119.914 0.074 0.000 2.287 50 V HA -0.300 3.821 4.120 0.001 0.000 0.248 50 V C 2.346 178.470 176.094 0.049 0.000 1.053 50 V CA 2.502 64.838 62.300 0.061 0.000 1.027 50 V CB -0.687 31.166 31.823 0.050 0.000 0.646 50 V HN 0.728 nan 8.190 nan 0.000 0.447 51 A N -0.532 122.315 122.820 0.045 0.000 1.972 51 A HA -0.247 4.074 4.320 0.001 0.000 0.219 51 A C 2.030 179.634 177.584 0.035 0.000 1.169 51 A CA 1.963 54.020 52.037 0.034 0.000 0.635 51 A CB -0.502 18.516 19.000 0.030 0.000 0.810 51 A HN 0.591 nan 8.150 nan 0.000 0.446 52 D N -0.057 120.370 120.400 0.044 0.000 2.123 52 D HA -0.055 4.586 4.640 0.001 0.000 0.200 52 D C 2.002 178.326 176.300 0.040 0.000 0.976 52 D CA 0.939 54.965 54.000 0.043 0.000 0.831 52 D CB -0.215 40.616 40.800 0.052 0.000 0.974 52 D HN 0.443 nan 8.370 nan 0.000 0.469 53 L N 0.673 121.923 121.223 0.045 0.000 2.046 53 L HA -0.216 4.124 4.340 0.001 0.000 0.208 53 L C 2.602 179.481 176.870 0.016 0.000 1.077 53 L CA 0.947 55.803 54.840 0.027 0.000 0.747 53 L CB -0.300 41.774 42.059 0.026 0.000 0.896 53 L HN -0.017 nan 8.230 nan 0.000 0.432 54 Q N 0.284 120.099 119.800 0.025 0.000 2.084 54 Q HA -0.155 4.186 4.340 0.001 0.000 0.202 54 Q C 2.192 178.199 176.000 0.012 0.000 0.978 54 Q CA 2.031 57.847 55.803 0.022 0.000 0.844 54 Q CB -0.264 28.490 28.738 0.027 0.000 0.898 54 Q HN 0.427 nan 8.270 nan 0.000 0.426 55 A N 0.426 123.254 122.820 0.013 0.000 1.902 55 A HA -0.198 4.122 4.320 0.001 0.000 0.217 55 A C 2.097 179.685 177.584 0.006 0.000 1.181 55 A CA 1.563 53.605 52.037 0.008 0.000 0.623 55 A CB -0.470 18.537 19.000 0.012 0.000 0.818 55 A HN 0.413 nan 8.150 nan 0.000 0.443 56 R N -1.021 119.486 120.500 0.011 0.000 2.081 56 R HA -0.051 4.290 4.340 0.001 0.000 0.235 56 R C 2.267 178.569 176.300 0.002 0.000 1.131 56 R CA 1.722 57.828 56.100 0.011 0.000 0.960 56 R CB -0.398 29.916 30.300 0.023 0.000 0.856 56 R HN 0.539 nan 8.270 nan 0.000 0.436 57 M N -0.250 119.349 119.600 -0.002 0.000 2.175 57 M HA -0.102 4.379 4.480 0.001 0.000 0.264 57 M C 1.952 178.245 176.300 -0.011 0.000 1.063 57 M CA 1.533 56.830 55.300 -0.005 0.000 1.119 57 M CB -0.230 32.372 32.600 0.004 0.000 1.377 57 M HN 0.104 nan 8.290 nan 0.000 0.415 58 T N 0.634 115.180 114.554 -0.013 0.000 2.915 58 T HA -0.003 4.348 4.350 0.001 0.000 0.269 58 T C 1.625 176.313 174.700 -0.020 0.000 1.071 58 T CA 1.320 63.405 62.100 -0.025 0.000 1.132 58 T CB -0.147 68.706 68.868 -0.024 0.000 0.878 58 T HN 0.473 nan 8.240 nan 0.000 0.479 59 A N 0.291 123.104 122.820 -0.012 0.000 2.251 59 A HA 0.546 4.866 4.320 0.001 0.000 0.209 59 A C 1.882 179.461 177.584 -0.009 0.000 1.187 59 A CA 0.650 52.681 52.037 -0.009 0.000 0.823 59 A CB -0.595 18.402 19.000 -0.005 0.000 0.846 59 A HN 0.633 nan 8.150 nan 0.000 0.486 60 G N -0.450 108.344 108.800 -0.010 0.000 2.143 60 G HA2 -0.264 3.697 3.960 0.001 0.000 0.248 60 G HA3 -0.264 3.697 3.960 0.001 0.000 0.248 60 G C 0.371 175.269 174.900 -0.004 0.000 0.991 60 G CA 0.593 45.688 45.100 -0.008 0.000 0.689 60 G HN 0.611 nan 8.290 nan 0.000 0.522 61 E N -1.352 118.847 120.200 -0.000 0.000 2.474 61 E HA 0.426 4.777 4.350 0.001 0.000 0.195 61 E C 0.390 176.997 176.600 0.012 0.000 1.039 61 E CA 0.194 56.597 56.400 0.005 0.000 0.881 61 E CB 0.604 30.307 29.700 0.007 0.000 0.970 61 E HN 0.466 nan 8.360 nan 0.000 0.486 62 L N 1.145 122.371 121.223 0.004 0.000 2.556 62 L HA 0.266 4.607 4.340 0.001 0.000 0.257 62 L C -2.181 174.678 176.870 -0.019 0.000 0.955 62 L CA -0.679 54.159 54.840 -0.004 0.000 0.850 62 L CB 2.077 44.130 42.059 -0.010 0.000 1.398 62 L HN -0.113 nan 8.230 nan 0.000 0.412 63 D N 0.611 120.993 120.400 -0.030 0.000 2.477 63 D HA 0.411 5.052 4.640 0.001 0.000 0.234 63 D C 0.362 176.638 176.300 -0.040 0.000 1.048 63 D CA -0.157 53.831 54.000 -0.020 0.000 0.959 63 D CB 1.567 42.364 40.800 -0.006 0.000 1.408 63 D HN 0.335 nan 8.370 nan 0.000 0.496 64 S N -0.674 115.018 115.700 -0.014 0.000 2.382 64 S HA -0.189 4.282 4.470 0.001 0.000 0.228 64 S C 1.807 176.391 174.600 -0.028 0.000 1.027 64 S CA 2.251 60.438 58.200 -0.021 0.000 0.991 64 S CB -0.913 62.288 63.200 0.001 0.000 0.823 64 S HN 0.690 nan 8.310 nan 0.000 0.469 65 T N -1.372 113.172 114.554 -0.017 0.000 2.788 65 T HA -0.079 4.271 4.350 0.001 0.000 0.268 65 T C 1.869 176.558 174.700 -0.019 0.000 1.044 65 T CA 1.883 63.976 62.100 -0.011 0.000 1.139 65 T CB -1.245 67.621 68.868 -0.003 0.000 0.867 65 T HN 0.360 nan 8.240 nan 0.000 0.454 66 T N 2.206 116.739 114.554 -0.035 0.000 2.737 66 T HA 0.049 4.400 4.350 0.001 0.000 0.265 66 T C 1.793 176.429 174.700 -0.106 0.000 1.038 66 T CA 1.208 63.285 62.100 -0.038 0.000 1.144 66 T CB -0.536 68.319 68.868 -0.023 0.000 0.866 66 T HN 0.214 nan 8.240 nan 0.000 0.434 67 L N 1.118 122.206 121.223 -0.225 0.000 2.017 67 L HA -0.067 4.274 4.340 0.001 0.000 0.208 67 L C 2.508 179.270 176.870 -0.180 0.000 1.073 67 L CA 1.888 56.462 54.840 -0.443 0.000 0.745 67 L CB -1.288 40.518 42.059 -0.421 0.000 0.894 67 L HN 0.186 nan 8.230 nan 0.000 0.432 68 T N -0.600 113.947 114.554 -0.012 0.000 2.708 68 T HA -0.215 4.136 4.350 0.001 0.000 0.266 68 T C 1.801 176.562 174.700 0.102 0.000 1.037 68 T CA 1.784 63.947 62.100 0.104 0.000 1.146 68 T CB -0.199 68.702 68.868 0.055 0.000 0.865 68 T HN 0.487 nan 8.240 nan 0.000 0.435 69 Q N 0.440 120.268 119.800 0.048 0.000 2.167 69 Q HA 0.031 4.371 4.340 0.001 0.000 0.202 69 Q C 2.705 178.757 176.000 0.087 0.000 0.970 69 Q CA 1.155 56.993 55.803 0.058 0.000 0.855 69 Q CB -0.277 28.482 28.738 0.035 0.000 0.911 69 Q HN 0.551 nan 8.270 nan 0.000 0.438 70 A N 0.344 123.213 122.820 0.081 0.000 1.902 70 A HA -0.190 4.130 4.320 0.001 0.000 0.217 70 A C 1.660 179.398 177.584 0.257 0.000 1.181 70 A CA 1.167 53.311 52.037 0.179 0.000 0.623 70 A CB -0.702 18.411 19.000 0.189 0.000 0.818 70 A HN 0.314 nan 8.150 nan 0.000 0.443 71 Y N 0.089 120.538 120.300 0.248 0.000 2.200 71 Y HA -0.091 4.459 4.550 0.001 0.000 0.290 71 Y C 2.212 178.130 175.900 0.031 0.000 1.137 71 Y CA 1.126 59.313 58.100 0.146 0.000 1.163 71 Y CB -0.606 37.914 38.460 0.100 0.000 0.988 71 Y HN 0.176 nan 8.280 nan 0.000 0.518 72 L N -0.403 120.936 121.223 0.192 0.000 2.083 72 L HA -0.274 4.067 4.340 0.001 0.000 0.209 72 L C 2.559 179.459 176.870 0.049 0.000 1.083 72 L CA 1.696 56.589 54.840 0.089 0.000 0.752 72 L CB -0.545 41.553 42.059 0.065 0.000 0.899 72 L HN 0.266 nan 8.230 nan 0.000 0.433 73 Q N 0.217 120.054 119.800 0.062 0.000 2.119 73 Q HA -0.238 4.103 4.340 0.001 0.000 0.201 73 Q C 2.365 178.355 176.000 -0.017 0.000 0.972 73 Q CA 1.384 57.205 55.803 0.029 0.000 0.847 73 Q CB 0.072 28.842 28.738 0.053 0.000 0.903 73 Q HN 0.316 nan 8.270 nan 0.000 0.433 74 R N 0.039 120.517 120.500 -0.036 0.000 2.092 74 R HA -0.072 4.269 4.340 0.001 0.000 0.231 74 R C 2.154 178.363 176.300 -0.153 0.000 1.119 74 R CA 1.184 57.180 56.100 -0.173 0.000 0.970 74 R CB -0.146 29.922 30.300 -0.388 0.000 0.864 74 R HN 0.334 nan 8.270 nan 0.000 0.440 75 I N 0.566 121.089 120.570 -0.078 0.000 2.226 75 I HA -0.247 3.924 4.170 0.001 0.000 0.245 75 I C 2.463 178.535 176.117 -0.076 0.000 1.100 75 I CA 1.290 62.546 61.300 -0.074 0.000 1.374 75 I CB -0.342 37.638 38.000 -0.034 0.000 1.057 75 I HN 0.286 nan 8.210 nan 0.000 0.413 76 A N 0.545 123.331 122.820 -0.056 0.000 1.933 76 A HA -0.107 4.214 4.320 0.001 0.000 0.218 76 A C 2.454 179.996 177.584 -0.071 0.000 1.175 76 A CA 1.797 53.804 52.037 -0.050 0.000 0.628 76 A CB -0.629 18.352 19.000 -0.031 0.000 0.814 76 A HN 0.440 nan 8.150 nan 0.000 0.444 77 A N -1.264 121.498 122.820 -0.098 0.000 2.021 77 A HA 0.336 4.657 4.320 0.001 0.000 0.216 77 A C 1.916 179.395 177.584 -0.175 0.000 1.163 77 A CA 1.145 53.108 52.037 -0.122 0.000 0.676 77 A CB -0.186 18.736 19.000 -0.130 0.000 0.818 77 A HN 0.437 nan 8.150 nan 0.000 0.453 78 L N -2.432 118.659 121.223 -0.219 0.000 2.685 78 L HA 0.186 4.527 4.340 0.001 0.000 0.235 78 L C 1.753 178.516 176.870 -0.178 0.000 1.070 78 L CA 0.677 55.342 54.840 -0.292 0.000 0.888 78 L CB 0.153 41.902 42.059 -0.517 0.000 1.203 78 L HN 0.245 nan 8.230 nan 0.000 0.499 79 D N 0.132 120.455 120.400 -0.129 0.000 2.259 79 D HA -0.078 4.563 4.640 0.001 0.000 0.216 79 D C 2.254 178.523 176.300 -0.052 0.000 0.961 79 D CA 0.705 54.659 54.000 -0.077 0.000 0.878 79 D CB 0.508 41.267 40.800 -0.068 0.000 1.009 79 D HN -0.043 nan 8.370 nan 0.000 0.490 80 R N -0.633 119.836 120.500 -0.053 0.000 2.156 80 R HA 0.097 4.438 4.340 0.001 0.000 0.207 80 R C 0.459 176.740 176.300 -0.032 0.000 1.040 80 R CA 1.110 57.189 56.100 -0.036 0.000 1.013 80 R CB 0.180 30.460 30.300 -0.033 0.000 0.931 80 R HN 0.280 nan 8.270 nan 0.000 0.465 81 T N -4.396 110.131 114.554 -0.045 0.000 2.676 81 T HA 0.648 4.998 4.350 0.001 0.000 0.269 81 T C 0.909 175.579 174.700 -0.050 0.000 0.952 81 T CA -0.338 61.739 62.100 -0.038 0.000 1.040 81 T CB 1.156 70.002 68.868 -0.037 0.000 1.352 81 T HN 0.272 nan 8.240 nan 0.000 0.554 82 G N 1.718 110.493 108.800 -0.041 0.000 2.622 82 G HA2 -0.240 3.721 3.960 0.001 0.000 0.307 82 G HA3 -0.240 3.721 3.960 0.001 0.000 0.307 82 G C -1.067 173.822 174.900 -0.017 0.000 1.226 82 G CA 0.405 45.480 45.100 -0.043 0.000 0.997 82 G HN 0.894 nan 8.290 nan 0.000 0.551 83 P HA -0.010 nan 4.420 nan 0.000 0.228 83 P C 0.454 177.773 177.300 0.033 0.000 1.151 83 P CA 1.219 64.345 63.100 0.043 0.000 0.770 83 P CB -0.095 31.676 31.700 0.118 0.000 0.786 84 R N -0.589 119.910 120.500 -0.003 0.000 3.146 84 R HA -0.134 4.207 4.340 0.001 0.000 0.250 84 R C 1.078 177.389 176.300 0.018 0.000 0.912 84 R CA -0.225 55.876 56.100 0.002 0.000 0.633 84 R CB -2.324 27.986 30.300 0.017 0.000 1.180 84 R HN 0.287 nan 8.270 nan 0.000 0.464 85 L N 0.317 121.547 121.223 0.010 0.000 2.191 85 L HA -0.089 4.252 4.340 0.001 0.000 0.212 85 L C 1.263 178.143 176.870 0.017 0.000 1.103 85 L CA 0.905 55.764 54.840 0.031 0.000 0.769 85 L CB -0.259 41.821 42.059 0.035 0.000 0.908 85 L HN 0.422 nan 8.230 nan 0.000 0.438 86 R N -0.939 119.559 120.500 -0.003 0.000 3.416 86 R HA -0.242 4.099 4.340 0.001 0.000 0.263 86 R C 1.142 177.431 176.300 -0.018 0.000 1.053 86 R CA 0.330 56.423 56.100 -0.012 0.000 0.705 86 R CB -1.976 28.323 30.300 -0.001 0.000 1.124 86 R HN 0.485 nan 8.270 nan 0.000 0.444 87 A N 0.029 122.838 122.820 -0.020 0.000 2.021 87 A HA 0.105 4.426 4.320 0.001 0.000 0.216 87 A C 1.008 178.569 177.584 -0.039 0.000 1.163 87 A CA 0.705 52.729 52.037 -0.023 0.000 0.676 87 A CB 0.658 19.648 19.000 -0.016 0.000 0.818 87 A HN 0.096 nan 8.150 nan 0.000 0.453 88 V N 0.995 120.883 119.914 -0.044 0.000 2.350 88 V HA 0.221 4.342 4.120 0.001 0.000 0.276 88 V C 1.089 177.151 176.094 -0.053 0.000 1.028 88 V CA -0.185 62.084 62.300 -0.050 0.000 0.860 88 V CB 1.150 32.944 31.823 -0.049 0.000 0.990 88 V HN 0.522 nan 8.190 nan 0.000 0.453 89 I N 2.756 123.289 120.570 -0.063 0.000 2.852 89 I HA 0.236 4.407 4.170 0.001 0.000 0.264 89 I C 0.860 176.940 176.117 -0.062 0.000 1.179 89 I CA 0.927 62.184 61.300 -0.071 0.000 1.480 89 I CB 0.487 38.432 38.000 -0.092 0.000 1.111 89 I HN 0.739 nan 8.210 nan 0.000 0.441 90 E N 0.537 120.703 120.200 -0.056 0.000 2.347 90 E HA 0.327 4.677 4.350 0.001 0.000 0.285 90 E C -1.452 175.121 176.600 -0.045 0.000 0.925 90 E CA -0.618 55.753 56.400 -0.049 0.000 0.779 90 E CB 1.538 31.207 29.700 -0.052 0.000 1.233 90 E HN 0.088 nan 8.360 nan 0.000 0.414 91 L N 2.749 123.950 121.223 -0.037 0.000 2.399 91 L HA 0.368 4.709 4.340 0.001 0.000 0.266 91 L C 0.344 177.195 176.870 -0.032 0.000 1.114 91 L CA -0.819 54.001 54.840 -0.032 0.000 0.804 91 L CB 0.782 42.827 42.059 -0.023 0.000 1.146 91 L HN 0.479 nan 8.230 nan 0.000 0.451 92 N N 3.576 122.257 118.700 -0.032 0.000 2.411 92 N HA 0.146 4.887 4.740 0.001 0.000 0.259 92 N C -1.589 173.906 175.510 -0.025 0.000 1.103 92 N CA -1.919 51.112 53.050 -0.033 0.000 0.954 92 N CB 1.061 39.527 38.487 -0.035 0.000 1.085 92 N HN 0.288 nan 8.380 nan 0.000 0.485 93 P HA -0.056 nan 4.420 nan 0.000 0.225 93 P C -0.374 176.915 177.300 -0.017 0.000 1.148 93 P CA 1.007 64.096 63.100 -0.019 0.000 0.779 93 P CB 0.472 32.160 31.700 -0.019 0.000 0.780 94 D N -0.675 119.712 120.400 -0.022 0.000 2.342 94 D HA 0.198 4.839 4.640 0.001 0.000 0.221 94 D C 1.812 178.100 176.300 -0.021 0.000 1.101 94 D CA 0.065 54.053 54.000 -0.021 0.000 0.837 94 D CB 0.062 40.846 40.800 -0.025 0.000 0.938 94 D HN 0.071 nan 8.370 nan 0.000 0.508 95 A N 0.890 123.700 122.820 -0.018 0.000 1.865 95 A HA -0.191 4.130 4.320 0.001 0.000 0.217 95 A C 2.053 179.631 177.584 -0.009 0.000 1.191 95 A CA 1.033 53.061 52.037 -0.015 0.000 0.623 95 A CB -0.561 18.435 19.000 -0.007 0.000 0.826 95 A HN 0.286 nan 8.150 nan 0.000 0.444 96 L N -0.047 121.173 121.223 -0.004 0.000 2.046 96 L HA -0.120 4.221 4.340 0.001 0.000 0.208 96 L C 2.313 179.178 176.870 -0.007 0.000 1.077 96 L CA 2.642 57.481 54.840 -0.002 0.000 0.747 96 L CB -0.574 41.486 42.059 0.001 0.000 0.896 96 L HN 0.500 nan 8.230 nan 0.000 0.432 97 K N -0.479 119.914 120.400 -0.011 0.000 2.026 97 K HA -0.221 4.100 4.320 0.001 0.000 0.208 97 K C 1.954 178.543 176.600 -0.018 0.000 1.048 97 K CA 1.909 58.189 56.287 -0.013 0.000 0.929 97 K CB -0.144 32.347 32.500 -0.014 0.000 0.713 97 K HN 0.482 nan 8.250 nan 0.000 0.439 98 E N -0.055 120.130 120.200 -0.025 0.000 2.051 98 E HA -0.193 4.158 4.350 0.001 0.000 0.192 98 E C 2.007 178.583 176.600 -0.041 0.000 0.991 98 E CA 1.125 57.503 56.400 -0.038 0.000 0.799 98 E CB -0.148 29.525 29.700 -0.044 0.000 0.748 98 E HN 0.454 nan 8.360 nan 0.000 0.449 99 A N 1.439 124.241 122.820 -0.029 0.000 1.902 99 A HA -0.150 4.171 4.320 0.001 0.000 0.217 99 A C 2.385 179.961 177.584 -0.013 0.000 1.181 99 A CA 1.790 53.813 52.037 -0.024 0.000 0.623 99 A CB -0.671 18.323 19.000 -0.010 0.000 0.818 99 A HN 0.303 nan 8.150 nan 0.000 0.443 100 A N -0.641 122.174 122.820 -0.008 0.000 1.972 100 A HA -0.113 4.208 4.320 0.001 0.000 0.219 100 A C 1.963 179.550 177.584 0.004 0.000 1.169 100 A CA 2.081 54.118 52.037 0.000 0.000 0.635 100 A CB -0.390 18.609 19.000 -0.001 0.000 0.810 100 A HN 0.512 nan 8.150 nan 0.000 0.446 101 E N -0.038 120.159 120.200 -0.005 0.000 2.107 101 E HA -0.119 4.231 4.350 0.001 0.000 0.191 101 E C 2.151 178.759 176.600 0.014 0.000 0.982 101 E CA 0.928 57.328 56.400 -0.001 0.000 0.809 101 E CB -0.123 29.567 29.700 -0.015 0.000 0.756 101 E HN 0.351 nan 8.360 nan 0.000 0.459 102 R N 0.878 121.371 120.500 -0.013 0.000 2.096 102 R HA -0.084 4.256 4.340 0.001 0.000 0.235 102 R C 1.655 178.069 176.300 0.189 0.000 1.127 102 R CA 1.366 57.468 56.100 0.003 0.000 0.968 102 R CB -0.779 29.417 30.300 -0.173 0.000 0.861 102 R HN 0.308 nan 8.270 nan 0.000 0.440 103 D N 0.198 120.652 120.400 0.090 0.000 2.144 103 D HA -0.075 4.565 4.640 0.001 0.000 0.200 103 D C 2.034 178.370 176.300 0.060 0.000 0.978 103 D CA 0.816 54.862 54.000 0.077 0.000 0.833 103 D CB -0.095 40.726 40.800 0.036 0.000 0.961 103 D HN 0.174 nan 8.370 nan 0.000 0.470 104 R N 0.646 121.175 120.500 0.048 0.000 2.081 104 R HA -0.085 4.255 4.340 0.001 0.000 0.235 104 R C 2.178 178.502 176.300 0.042 0.000 1.131 104 R CA 0.977 57.097 56.100 0.033 0.000 0.960 104 R CB -0.080 30.234 30.300 0.023 0.000 0.856 104 R HN 0.326 nan 8.270 nan 0.000 0.436 105 E N 0.040 120.287 120.200 0.078 0.000 2.077 105 E HA -0.218 4.133 4.350 0.001 0.000 0.193 105 E C 2.092 178.708 176.600 0.027 0.000 0.989 105 E CA 0.900 57.350 56.400 0.084 0.000 0.800 105 E CB -0.100 29.709 29.700 0.182 0.000 0.746 105 E HN 0.226 nan 8.360 nan 0.000 0.452 106 R N 1.197 121.713 120.500 0.026 0.000 2.073 106 R HA -0.113 4.228 4.340 0.001 0.000 0.234 106 R C 2.210 178.480 176.300 -0.051 0.000 1.134 106 R CA 1.330 57.375 56.100 -0.092 0.000 0.952 106 R CB 0.019 30.278 30.300 -0.069 0.000 0.850 106 R HN 0.046 nan 8.270 nan 0.000 0.433 107 R N -0.150 120.341 120.500 -0.015 0.000 2.193 107 R HA -0.124 4.216 4.340 0.001 0.000 0.229 107 R C 1.289 177.580 176.300 -0.015 0.000 1.110 107 R CA 1.416 57.507 56.100 -0.014 0.000 0.988 107 R CB -0.208 30.090 30.300 -0.003 0.000 0.871 107 R HN 0.309 nan 8.270 nan 0.000 0.458 108 D N -0.714 119.678 120.400 -0.012 0.000 2.339 108 D HA 0.039 4.680 4.640 0.001 0.000 0.217 108 D C 0.666 176.954 176.300 -0.021 0.000 1.050 108 D CA 0.701 54.695 54.000 -0.011 0.000 0.856 108 D CB 0.327 41.127 40.800 -0.000 0.000 0.922 108 D HN 0.304 nan 8.370 nan 0.000 0.518 109 G N 1.241 110.018 108.800 -0.038 0.000 2.182 109 G HA2 -0.312 3.649 3.960 0.001 0.000 0.248 109 G HA3 -0.312 3.649 3.960 0.001 0.000 0.248 109 G C 0.237 175.106 174.900 -0.052 0.000 1.042 109 G CA -0.098 44.972 45.100 -0.050 0.000 0.775 109 G HN 0.387 nan 8.290 nan 0.000 0.501 110 R N -0.093 120.374 120.500 -0.054 0.000 3.057 110 R HA 0.413 4.753 4.340 0.001 0.000 0.291 110 R C 0.582 176.848 176.300 -0.057 0.000 1.394 110 R CA -0.553 55.529 56.100 -0.031 0.000 1.630 110 R CB 0.524 30.830 30.300 0.010 0.000 1.268 110 R HN 0.332 nan 8.270 nan 0.000 0.621 111 L N 1.103 122.237 121.223 -0.149 0.000 2.417 111 L HA 0.249 4.589 4.340 0.001 0.000 0.268 111 L C 1.444 178.318 176.870 0.007 0.000 1.158 111 L CA -0.009 54.669 54.840 -0.271 0.000 0.819 111 L CB 0.845 42.737 42.059 -0.278 0.000 1.112 111 L HN 0.339 nan 8.230 nan 0.000 0.458 112 R N 1.199 121.855 120.500 0.259 0.000 2.290 112 R HA 0.306 4.647 4.340 0.001 0.000 0.197 112 R C 0.531 176.896 176.300 0.109 0.000 0.913 112 R CA 0.283 56.500 56.100 0.195 0.000 1.040 112 R CB 0.564 30.991 30.300 0.210 0.000 0.992 112 R HN 0.925 nan 8.270 nan 0.000 0.500 113 G N -0.149 108.712 108.800 0.102 0.000 2.340 113 G HA2 -0.110 3.851 3.960 0.001 0.000 0.282 113 G HA3 -0.110 3.851 3.960 0.001 0.000 0.282 113 G C -2.382 172.556 174.900 0.063 0.000 1.312 113 G CA -1.052 44.081 45.100 0.055 0.000 0.942 113 G HN -0.236 nan 8.290 nan 0.000 0.495 114 P HA 0.046 nan 4.420 nan 0.000 0.218 114 P C 1.583 178.913 177.300 0.049 0.000 1.146 114 P CA 0.993 64.114 63.100 0.036 0.000 0.813 114 P CB 0.047 31.761 31.700 0.022 0.000 0.778 115 L N -3.014 118.241 121.223 0.053 0.000 2.667 115 L HA 0.145 4.486 4.340 0.001 0.000 0.232 115 L C 0.776 177.675 176.870 0.047 0.000 1.138 115 L CA -0.472 54.392 54.840 0.040 0.000 0.921 115 L CB -0.890 41.178 42.059 0.015 0.000 1.180 115 L HN 0.022 nan 8.230 nan 0.000 0.487 116 H N 0.841 119.907 119.070 -0.007 0.000 3.145 116 H HA 0.179 4.736 4.556 0.001 0.000 0.288 116 H C 1.309 176.631 175.328 -0.011 0.000 0.969 116 H CA 1.160 57.202 56.048 -0.010 0.000 1.444 116 H CB 0.320 30.075 29.762 -0.011 0.000 1.500 116 H HN 0.343 nan 8.280 nan 0.000 0.552 117 G N 4.706 113.432 108.800 -0.124 0.000 2.179 117 G HA2 -0.248 3.712 3.960 0.001 0.000 0.260 117 G HA3 -0.248 3.712 3.960 0.001 0.000 0.260 117 G C 0.093 174.988 174.900 -0.008 0.000 0.977 117 G CA 0.083 45.163 45.100 -0.033 0.000 0.641 117 G HN 0.558 nan 8.290 nan 0.000 0.533 118 I N 2.001 122.568 120.570 -0.005 0.000 2.396 118 I HA 0.272 4.443 4.170 0.001 0.000 0.289 118 I C -2.062 174.054 176.117 -0.002 0.000 1.056 118 I CA -2.520 58.788 61.300 0.013 0.000 1.365 118 I CB 0.720 38.731 38.000 0.018 0.000 1.407 118 I HN -0.109 nan 8.210 nan 0.000 0.509 119 P HA 0.379 nan 4.420 nan 0.000 0.286 119 P C -0.954 176.280 177.300 -0.110 0.000 1.269 119 P CA -0.328 62.760 63.100 -0.021 0.000 0.787 119 P CB 1.122 32.863 31.700 0.069 0.000 0.920 120 L N 1.332 122.492 121.223 -0.105 0.000 2.341 120 L HA 0.716 5.056 4.340 0.001 0.000 0.254 120 L C -1.387 175.419 176.870 -0.107 0.000 1.040 120 L CA -0.934 53.836 54.840 -0.117 0.000 0.837 120 L CB 0.840 42.854 42.059 -0.074 0.000 1.425 120 L HN 0.082 nan 8.230 nan 0.000 0.414 121 L N 1.127 122.290 121.223 -0.101 0.000 2.333 121 L HA 0.705 5.046 4.340 0.001 0.000 0.269 121 L C -1.053 175.781 176.870 -0.061 0.000 1.010 121 L CA -0.627 54.164 54.840 -0.082 0.000 0.818 121 L CB 2.117 44.122 42.059 -0.090 0.000 1.306 121 L HN 0.529 nan 8.230 nan 0.000 0.430 122 L N 2.046 123.236 121.223 -0.054 0.000 2.362 122 L HA 0.462 4.803 4.340 0.001 0.000 0.275 122 L C -0.162 176.682 176.870 -0.044 0.000 0.998 122 L CA -0.716 54.097 54.840 -0.044 0.000 0.820 122 L CB 1.916 43.950 42.059 -0.042 0.000 1.270 122 L HN 0.503 nan 8.230 nan 0.000 0.415 123 K N 1.169 121.547 120.400 -0.037 0.000 2.489 123 K HA -0.104 4.217 4.320 0.001 0.000 0.278 123 K C 0.393 176.964 176.600 -0.049 0.000 1.000 123 K CA 0.012 56.275 56.287 -0.040 0.000 1.012 123 K CB 0.580 33.063 32.500 -0.028 0.000 0.903 123 K HN 0.539 nan 8.250 nan 0.000 0.485 124 D N 2.214 122.575 120.400 -0.066 0.000 2.355 124 D HA -0.059 4.582 4.640 0.001 0.000 0.253 124 D C 0.250 176.499 176.300 -0.086 0.000 1.187 124 D CA 0.361 54.314 54.000 -0.080 0.000 0.900 124 D CB -0.100 40.639 40.800 -0.102 0.000 0.915 124 D HN 0.557 nan 8.370 nan 0.000 0.516 125 N N -0.337 118.324 118.700 -0.065 0.000 2.184 125 N HA 0.050 4.791 4.740 0.001 0.000 0.206 125 N C -0.090 175.404 175.510 -0.028 0.000 1.151 125 N CA -0.182 52.829 53.050 -0.064 0.000 0.878 125 N CB 0.050 38.502 38.487 -0.058 0.000 1.014 125 N HN 0.138 nan 8.380 nan 0.000 0.512 126 I N 1.468 122.028 120.570 -0.017 0.000 2.321 126 I HA 0.193 4.364 4.170 0.001 0.000 0.291 126 I C -0.471 175.639 176.117 -0.011 0.000 0.998 126 I CA -0.871 60.431 61.300 0.003 0.000 1.227 126 I CB 0.733 38.733 38.000 -0.001 0.000 1.368 126 I HN -0.159 nan 8.210 nan 0.000 0.466 127 N N 5.550 124.249 118.700 -0.002 0.000 2.412 127 N HA 0.360 5.101 4.740 0.001 0.000 0.258 127 N C -0.399 175.072 175.510 -0.065 0.000 1.236 127 N CA 0.124 53.137 53.050 -0.062 0.000 0.882 127 N CB 1.011 39.429 38.487 -0.115 0.000 1.066 127 N HN 0.743 nan 8.380 nan 0.000 0.465 128 A N 0.867 123.633 122.820 -0.090 0.000 2.541 128 A HA 0.640 4.961 4.320 0.001 0.000 0.285 128 A C -0.310 177.221 177.584 -0.088 0.000 1.058 128 A CA -0.775 51.217 52.037 -0.075 0.000 0.886 128 A CB 0.299 19.263 19.000 -0.061 0.000 1.411 128 A HN 0.694 nan 8.150 nan 0.000 0.403 129 A N 3.716 126.486 122.820 -0.083 0.000 2.425 129 A HA 0.693 5.014 4.320 0.001 0.000 0.242 129 A C -1.396 176.149 177.584 -0.064 0.000 1.077 129 A CA -0.873 51.115 52.037 -0.081 0.000 0.781 129 A CB 0.005 18.963 19.000 -0.069 0.000 1.020 129 A HN 0.586 nan 8.150 nan 0.000 0.494 130 P HA 0.154 nan 4.420 nan 0.000 0.263 130 P C -0.089 177.170 177.300 -0.069 0.000 1.448 130 P CA 0.162 63.225 63.100 -0.062 0.000 0.983 130 P CB 0.037 31.710 31.700 -0.046 0.000 1.481 131 M N 0.174 119.729 119.600 -0.074 0.000 2.197 131 M HA 0.469 4.950 4.480 0.001 0.000 0.305 131 M C 0.868 177.108 176.300 -0.100 0.000 1.162 131 M CA -0.629 54.627 55.300 -0.074 0.000 1.099 131 M CB 0.627 33.187 32.600 -0.067 0.000 1.430 131 M HN -0.136 nan 8.290 nan 0.000 0.481 132 A N 0.310 123.080 122.820 -0.084 0.000 2.287 132 A HA 0.601 4.922 4.320 0.001 0.000 0.273 132 A C -0.384 177.145 177.584 -0.091 0.000 1.091 132 A CA -0.412 51.570 52.037 -0.093 0.000 0.817 132 A CB 0.336 19.312 19.000 -0.039 0.000 1.069 132 A HN 0.743 nan 8.150 nan 0.000 0.492 133 T N 1.080 115.590 114.554 -0.074 0.000 2.991 133 T HA 0.371 4.722 4.350 0.001 0.000 0.347 133 T C 0.814 175.569 174.700 0.091 0.000 1.122 133 T CA 0.227 62.316 62.100 -0.017 0.000 1.062 133 T CB 0.777 69.633 68.868 -0.020 0.000 1.043 133 T HN 0.857 nan 8.240 nan 0.000 0.491 134 S N 1.473 117.153 115.700 -0.033 0.000 2.511 134 S HA 0.436 4.907 4.470 0.001 0.000 0.214 134 S C 1.754 176.137 174.600 -0.361 0.000 0.997 134 S CA 0.317 58.447 58.200 -0.116 0.000 0.908 134 S CB -0.048 63.069 63.200 -0.137 0.000 0.803 134 S HN 1.238 nan 8.310 nan 0.000 0.504 135 A N 0.574 123.190 122.820 -0.341 0.000 2.861 135 A HA 0.053 4.374 4.320 0.001 0.000 0.261 135 A C 1.849 179.091 177.584 -0.571 0.000 1.351 135 A CA 1.207 52.943 52.037 -0.501 0.000 0.904 135 A CB -2.360 16.116 19.000 -0.873 0.000 1.076 135 A HN 2.233 nan 8.150 nan 0.000 0.729 136 G N -2.443 106.110 108.800 -0.412 0.000 2.176 136 G HA2 -0.001 3.960 3.960 0.001 0.000 0.253 136 G HA3 -0.001 3.960 3.960 0.001 0.000 0.253 136 G C 0.566 175.231 174.900 -0.393 0.000 0.979 136 G CA 1.356 46.233 45.100 -0.372 0.000 0.641 136 G HN 2.339 nan 8.290 nan 0.000 0.530 137 S N -0.463 114.953 115.700 -0.473 0.000 2.586 137 S HA 0.622 5.092 4.470 0.001 0.000 0.274 137 S C 1.739 176.237 174.600 -0.169 0.000 1.281 137 S CA -0.348 57.681 58.200 -0.285 0.000 1.035 137 S CB 0.923 63.966 63.200 -0.262 0.000 0.962 137 S HN 0.377 nan 8.310 nan 0.000 0.512 138 L N 3.718 124.910 121.223 -0.052 0.000 2.376 138 L HA 0.017 4.358 4.340 0.001 0.000 0.219 138 L C 2.642 179.402 176.870 -0.183 0.000 1.133 138 L CA 1.005 55.840 54.840 -0.009 0.000 0.816 138 L CB -0.650 41.511 42.059 0.170 0.000 0.933 138 L HN 0.858 nan 8.230 nan 0.000 0.449 139 A N -0.048 122.426 122.820 -0.577 0.000 2.015 139 A HA -0.056 4.265 4.320 0.001 0.000 0.219 139 A C 1.829 179.155 177.584 -0.430 0.000 1.163 139 A CA 1.126 52.513 52.037 -1.082 0.000 0.646 139 A CB -0.258 18.011 19.000 -1.217 0.000 0.806 139 A HN 0.443 nan 8.150 nan 0.000 0.448 140 L N -0.162 120.936 121.223 -0.208 0.000 3.066 140 L HA 0.074 4.415 4.340 0.001 0.000 0.265 140 L C 1.909 178.799 176.870 0.033 0.000 1.232 140 L CA 0.251 55.070 54.840 -0.036 0.000 1.031 140 L CB 0.029 42.126 42.059 0.064 0.000 1.379 140 L HN 0.615 nan 8.230 nan 0.000 0.563 141 Q N 0.179 119.964 119.800 -0.025 0.000 2.291 141 Q HA -0.092 4.249 4.340 0.001 0.000 0.206 141 Q C 1.476 177.492 176.000 0.026 0.000 0.976 141 Q CA 1.617 57.416 55.803 -0.006 0.000 0.875 141 Q CB -0.169 28.564 28.738 -0.009 0.000 0.927 141 Q HN 0.381 nan 8.270 nan 0.000 0.450 142 G N 0.170 109.004 108.800 0.057 0.000 3.453 142 G HA2 0.148 4.109 3.960 0.001 0.000 0.263 142 G HA3 0.148 4.109 3.960 0.001 0.000 0.263 142 G C -0.869 174.108 174.900 0.129 0.000 1.060 142 G CA -0.570 44.570 45.100 0.067 0.000 0.793 142 G HN 0.280 nan 8.290 nan 0.000 0.532 143 F N 2.281 122.217 119.950 -0.022 0.000 2.390 143 F HA 0.574 5.101 4.527 0.001 0.000 0.361 143 F C 0.351 176.153 175.800 0.003 0.000 1.124 143 F CA -1.738 56.261 58.000 -0.002 0.000 1.149 143 F CB 0.671 39.680 39.000 0.015 0.000 1.160 143 F HN -0.108 nan 8.300 nan 0.000 0.501 144 R N 7.346 127.625 120.500 -0.369 0.000 2.587 144 R HA 0.286 4.627 4.340 0.001 0.000 0.283 144 R C -2.519 173.510 176.300 -0.452 0.000 1.472 144 R CA -1.629 54.242 56.100 -0.382 0.000 1.578 144 R CB 0.360 30.561 30.300 -0.165 0.000 1.130 144 R HN 0.449 nan 8.270 nan 0.000 0.602 145 P HA 0.058 nan 4.420 nan 0.000 0.274 145 P C -0.542 176.618 177.300 -0.233 0.000 1.246 145 P CA -0.254 62.569 63.100 -0.461 0.000 0.795 145 P CB 0.919 32.251 31.700 -0.613 0.000 1.006 146 D N 0.382 120.716 120.400 -0.111 0.000 2.361 146 D HA 0.052 4.693 4.640 0.001 0.000 0.239 146 D C -0.048 176.221 176.300 -0.052 0.000 1.200 146 D CA 0.240 54.206 54.000 -0.057 0.000 0.915 146 D CB 0.229 41.028 40.800 -0.001 0.000 1.170 146 D HN 0.319 nan 8.370 nan 0.000 0.444 147 D N 0.045 120.424 120.400 -0.035 0.000 2.571 147 D HA 0.180 4.821 4.640 0.001 0.000 0.231 147 D C 0.174 176.482 176.300 0.015 0.000 1.133 147 D CA 0.267 54.252 54.000 -0.025 0.000 0.862 147 D CB 0.350 41.133 40.800 -0.029 0.000 1.179 147 D HN 0.306 nan 8.370 nan 0.000 0.474 148 A N 2.663 125.495 122.820 0.020 0.000 2.366 148 A HA 0.054 4.375 4.320 0.001 0.000 0.249 148 A C 0.967 178.613 177.584 0.104 0.000 1.084 148 A CA -0.344 51.744 52.037 0.084 0.000 0.794 148 A CB 0.050 19.097 19.000 0.079 0.000 1.034 148 A HN 0.689 nan 8.150 nan 0.000 0.491 149 Y N 1.688 122.020 120.300 0.052 0.000 2.114 149 Y HA -0.266 4.284 4.550 0.001 0.000 0.282 149 Y C 1.946 177.868 175.900 0.036 0.000 1.165 149 Y CA 2.834 60.961 58.100 0.045 0.000 1.148 149 Y CB -0.389 38.104 38.460 0.055 0.000 0.972 149 Y HN 0.628 nan 8.280 nan 0.000 0.504 150 L N -1.822 119.447 121.223 0.076 0.000 2.191 150 L HA -0.050 4.291 4.340 0.001 0.000 0.212 150 L C 1.910 178.736 176.870 -0.074 0.000 1.103 150 L CA 1.506 56.340 54.840 -0.011 0.000 0.769 150 L CB -1.532 40.574 42.059 0.077 0.000 0.908 150 L HN 0.044 nan 8.230 nan 0.000 0.438 151 V N 0.089 119.971 119.914 -0.054 0.000 2.453 151 V HA -0.111 4.010 4.120 0.001 0.000 0.247 151 V C 2.863 178.898 176.094 -0.098 0.000 1.048 151 V CA 1.660 63.923 62.300 -0.061 0.000 1.049 151 V CB -0.678 31.121 31.823 -0.040 0.000 0.672 151 V HN 0.471 nan 8.190 nan 0.000 0.457 152 R N -0.001 120.417 120.500 -0.138 0.000 2.096 152 R HA -0.108 4.233 4.340 0.001 0.000 0.235 152 R C 2.519 178.702 176.300 -0.195 0.000 1.127 152 R CA 1.316 57.320 56.100 -0.160 0.000 0.968 152 R CB -0.349 29.840 30.300 -0.185 0.000 0.861 152 R HN 0.483 nan 8.270 nan 0.000 0.440 153 R N 0.581 120.913 120.500 -0.280 0.000 2.075 153 R HA -0.064 4.277 4.340 0.001 0.000 0.232 153 R C 2.402 178.635 176.300 -0.113 0.000 1.126 153 R CA 1.106 57.075 56.100 -0.218 0.000 0.963 153 R CB -0.361 29.796 30.300 -0.238 0.000 0.858 153 R HN 0.200 nan 8.270 nan 0.000 0.435 154 L N 0.107 121.273 121.223 -0.094 0.000 2.046 154 L HA -0.163 4.178 4.340 0.001 0.000 0.208 154 L C 2.610 179.439 176.870 -0.069 0.000 1.077 154 L CA 1.417 56.219 54.840 -0.063 0.000 0.747 154 L CB -0.305 41.723 42.059 -0.053 0.000 0.896 154 L HN 0.140 nan 8.230 nan 0.000 0.432 155 R N -0.251 120.202 120.500 -0.078 0.000 2.092 155 R HA -0.133 4.207 4.340 0.001 0.000 0.231 155 R C 1.857 178.111 176.300 -0.077 0.000 1.119 155 R CA 1.284 57.337 56.100 -0.079 0.000 0.970 155 R CB -0.258 29.998 30.300 -0.073 0.000 0.864 155 R HN 0.364 nan 8.270 nan 0.000 0.440 156 D N 0.566 120.922 120.400 -0.073 0.000 2.178 156 D HA -0.106 4.535 4.640 0.001 0.000 0.201 156 D C 1.496 177.772 176.300 -0.039 0.000 0.980 156 D CA 1.207 55.174 54.000 -0.055 0.000 0.842 156 D CB -0.027 40.738 40.800 -0.058 0.000 0.948 156 D HN 0.233 nan 8.370 nan 0.000 0.472 157 A N -0.191 122.604 122.820 -0.042 0.000 2.206 157 A HA 0.328 4.649 4.320 0.001 0.000 0.211 157 A C 1.812 179.376 177.584 -0.034 0.000 1.158 157 A CA 1.283 53.309 52.037 -0.019 0.000 0.761 157 A CB -0.167 18.825 19.000 -0.014 0.000 0.801 157 A HN 0.278 nan 8.150 nan 0.000 0.473 158 G N -2.294 106.448 108.800 -0.097 0.000 2.176 158 G HA2 0.111 4.072 3.960 0.001 0.000 0.232 158 G HA3 0.111 4.072 3.960 0.001 0.000 0.232 158 G C 0.441 175.222 174.900 -0.199 0.000 0.986 158 G CA 0.231 45.192 45.100 -0.232 0.000 0.643 158 G HN 1.552 nan 8.290 nan 0.000 0.522 159 A N -0.338 122.416 122.820 -0.109 0.000 2.425 159 A HA 0.658 4.979 4.320 0.001 0.000 0.242 159 A C 0.511 178.043 177.584 -0.087 0.000 1.077 159 A CA 0.471 52.459 52.037 -0.082 0.000 0.781 159 A CB 0.946 19.913 19.000 -0.055 0.000 1.020 159 A HN 1.154 nan 8.150 nan 0.000 0.494 160 V N 2.916 122.789 119.914 -0.069 0.000 2.370 160 V HA 0.254 4.375 4.120 0.001 0.000 0.283 160 V C -0.052 176.012 176.094 -0.051 0.000 1.023 160 V CA -0.489 61.776 62.300 -0.059 0.000 0.857 160 V CB 1.449 33.248 31.823 -0.040 0.000 0.985 160 V HN 0.594 nan 8.190 nan 0.000 0.443 161 V N 7.044 126.927 119.914 -0.052 0.000 2.389 161 V HA 0.185 4.306 4.120 0.001 0.000 0.264 161 V C 1.106 177.172 176.094 -0.045 0.000 1.049 161 V CA 0.040 62.309 62.300 -0.052 0.000 0.932 161 V CB 0.976 32.768 31.823 -0.052 0.000 1.011 161 V HN 0.760 nan 8.190 nan 0.000 0.475 162 L N 4.095 125.287 121.223 -0.051 0.000 2.179 162 L HA 0.332 4.672 4.340 0.001 0.000 0.208 162 L C 1.248 178.093 176.870 -0.042 0.000 1.096 162 L CA 1.319 56.135 54.840 -0.041 0.000 0.779 162 L CB -0.115 41.910 42.059 -0.056 0.000 0.922 162 L HN 0.881 nan 8.230 nan 0.000 0.443 163 G N -1.134 107.635 108.800 -0.052 0.000 2.344 163 G HA2 0.142 4.102 3.960 0.001 0.000 0.282 163 G HA3 0.142 4.102 3.960 0.001 0.000 0.282 163 G C -1.751 173.115 174.900 -0.057 0.000 1.281 163 G CA -0.797 44.273 45.100 -0.051 0.000 0.877 163 G HN -0.249 nan 8.290 nan 0.000 0.494 164 K N 0.699 121.065 120.400 -0.057 0.000 2.203 164 K HA 0.732 5.053 4.320 0.001 0.000 0.251 164 K C -0.144 176.419 176.600 -0.061 0.000 0.944 164 K CA -0.480 55.771 56.287 -0.060 0.000 0.829 164 K CB 1.647 34.108 32.500 -0.064 0.000 1.125 164 K HN 0.936 nan 8.250 nan 0.000 0.430 165 T N -1.204 113.313 114.554 -0.060 0.000 2.895 165 T HA 0.289 4.640 4.350 0.001 0.000 0.283 165 T C 0.322 174.983 174.700 -0.065 0.000 1.014 165 T CA -0.834 61.232 62.100 -0.057 0.000 1.037 165 T CB 1.319 70.158 68.868 -0.048 0.000 1.006 165 T HN 0.393 nan 8.240 nan 0.000 0.468 166 N N 0.966 119.627 118.700 -0.066 0.000 2.415 166 N HA 0.484 5.225 4.740 0.001 0.000 0.248 166 N C -0.517 174.955 175.510 -0.064 0.000 1.271 166 N CA -0.501 52.500 53.050 -0.082 0.000 0.913 166 N CB -0.022 38.416 38.487 -0.081 0.000 1.129 166 N HN 0.840 nan 8.380 nan 0.000 0.444 167 L N -2.174 119.003 121.223 -0.077 0.000 2.568 167 L HA 0.620 4.961 4.340 0.001 0.000 0.257 167 L C -0.711 176.145 176.870 -0.024 0.000 1.024 167 L CA -1.150 53.666 54.840 -0.040 0.000 0.854 167 L CB 1.352 43.383 42.059 -0.046 0.000 1.460 167 L HN 0.236 nan 8.230 nan 0.000 0.409 168 S N 0.761 116.488 115.700 0.045 0.000 2.546 168 S HA 0.033 4.504 4.470 0.001 0.000 0.290 168 S C 0.058 174.717 174.600 0.098 0.000 1.290 168 S CA -0.071 58.203 58.200 0.124 0.000 1.069 168 S CB 0.180 63.469 63.200 0.149 0.000 0.846 168 S HN 0.680 nan 8.310 nan 0.000 0.495 169 E N 1.262 121.538 120.200 0.127 0.000 2.608 169 E HA -0.120 4.231 4.350 0.001 0.000 0.259 169 E C -0.504 176.202 176.600 0.177 0.000 0.951 169 E CA 0.265 56.678 56.400 0.022 0.000 0.945 169 E CB 0.136 29.901 29.700 0.110 0.000 0.916 169 E HN 0.715 nan 8.360 nan 0.000 0.477 170 W N 2.018 123.386 121.300 0.114 0.000 4.849 170 W HA -0.344 4.317 4.660 0.001 0.000 0.358 170 W C 0.850 177.444 176.519 0.125 0.000 1.331 170 W CA 0.301 57.730 57.345 0.140 0.000 0.844 170 W CB -2.163 27.413 29.460 0.193 0.000 2.434 170 W HN 0.810 nan 8.180 nan 0.000 1.458 171 A N -0.167 122.765 122.820 0.187 0.000 2.783 171 A HA -0.310 4.011 4.320 0.001 0.000 0.292 171 A C 1.161 178.855 177.584 0.184 0.000 1.495 171 A CA 2.084 54.209 52.037 0.146 0.000 0.787 171 A CB -1.698 17.377 19.000 0.124 0.000 1.017 171 A HN 1.532 nan 8.150 nan 0.000 0.516 172 N N -3.598 115.231 118.700 0.215 0.000 2.741 172 N HA -0.220 4.520 4.740 0.001 0.000 0.250 172 N C -0.319 175.309 175.510 0.197 0.000 1.115 172 N CA 1.797 54.963 53.050 0.194 0.000 0.724 172 N CB -1.817 36.747 38.487 0.129 0.000 1.090 172 N HN 1.247 nan 8.380 nan 0.000 0.558 173 F N 0.027 119.992 119.950 0.025 0.000 2.893 173 F HA 0.463 4.991 4.527 0.001 0.000 0.340 173 F C 1.379 177.060 175.800 -0.197 0.000 1.300 173 F CA -0.507 57.384 58.000 -0.181 0.000 1.227 173 F CB 0.139 38.872 39.000 -0.445 0.000 1.044 173 F HN 0.135 nan 8.300 nan 0.000 0.512 174 R N -0.573 119.916 120.500 -0.018 0.000 2.144 174 R HA 0.454 4.795 4.340 0.001 0.000 0.195 174 R C 0.693 177.004 176.300 0.018 0.000 1.077 174 R CA 0.717 56.850 56.100 0.056 0.000 1.120 174 R CB 0.376 30.897 30.300 0.368 0.000 1.060 174 R HN 0.453 nan 8.270 nan 0.000 0.520 175 G N -0.022 108.864 108.800 0.144 0.000 2.727 175 G HA2 0.317 4.278 3.960 0.001 0.000 0.289 175 G HA3 0.317 4.278 3.960 0.001 0.000 0.289 175 G C -1.561 173.354 174.900 0.025 0.000 1.418 175 G CA -0.772 44.405 45.100 0.129 0.000 0.818 175 G HN 0.098 nan 8.290 nan 0.000 0.486 176 N N 0.885 119.590 118.700 0.008 0.000 2.483 176 N HA 0.259 4.999 4.740 0.001 0.000 0.269 176 N C -0.471 174.982 175.510 -0.094 0.000 1.209 176 N CA -0.134 52.878 53.050 -0.063 0.000 0.969 176 N CB 0.723 39.181 38.487 -0.049 0.000 1.173 176 N HN 0.548 nan 8.380 nan 0.000 0.475 177 D N -1.084 119.222 120.400 -0.157 0.000 2.751 177 D HA -0.151 4.490 4.640 0.001 0.000 0.233 177 D C -0.237 175.809 176.300 -0.423 0.000 1.149 177 D CA 0.669 54.549 54.000 -0.200 0.000 0.682 177 D CB -1.514 39.224 40.800 -0.103 0.000 1.068 177 D HN 0.578 nan 8.370 nan 0.000 0.429 178 S N -0.784 114.527 115.700 -0.649 0.000 2.600 178 S HA 0.466 4.937 4.470 0.001 0.000 0.265 178 S C 0.598 174.766 174.600 -0.721 0.000 1.325 178 S CA -0.644 56.732 58.200 -1.374 0.000 1.002 178 S CB 1.601 64.254 63.200 -0.911 0.000 0.921 178 S HN 0.274 nan 8.310 nan 0.000 0.554 179 I N 1.928 122.127 120.570 -0.619 0.000 2.330 179 I HA 0.195 4.366 4.170 0.001 0.000 0.289 179 I C 0.160 176.344 176.117 0.112 0.000 1.001 179 I CA -0.447 60.804 61.300 -0.082 0.000 1.193 179 I CB 1.473 39.500 38.000 0.045 0.000 1.345 179 I HN 0.589 nan 8.210 nan 0.000 0.461 180 S N 4.347 120.137 115.700 0.151 0.000 2.549 180 S HA 0.237 4.708 4.470 0.001 0.000 0.286 180 S C 1.173 175.879 174.600 0.177 0.000 1.314 180 S CA 0.671 58.979 58.200 0.179 0.000 1.062 180 S CB 0.803 64.152 63.200 0.249 0.000 0.865 180 S HN 1.109 nan 8.310 nan 0.000 0.498 181 G N 1.938 110.833 108.800 0.158 0.000 2.159 181 G HA2 -0.264 3.696 3.960 0.001 0.000 0.256 181 G HA3 -0.264 3.696 3.960 0.001 0.000 0.256 181 G C -0.297 174.710 174.900 0.178 0.000 0.977 181 G CA 0.161 45.337 45.100 0.126 0.000 0.652 181 G HN 0.720 nan 8.290 nan 0.000 0.531 182 W N 1.728 123.086 121.300 0.098 0.000 2.551 182 W HA 0.693 5.353 4.660 0.001 0.000 0.330 182 W C 0.342 176.943 176.519 0.137 0.000 1.063 182 W CA -0.099 57.322 57.345 0.126 0.000 1.222 182 W CB 1.730 31.305 29.460 0.192 0.000 1.349 182 W HN 0.738 nan 8.180 nan 0.000 0.536 183 S N 3.412 118.381 115.700 -1.219 0.000 2.556 183 S HA 0.668 5.139 4.470 0.001 0.000 0.271 183 S C 0.129 173.710 174.600 -1.698 0.000 1.135 183 S CA -0.334 57.105 58.200 -1.267 0.000 0.858 183 S CB 1.403 64.273 63.200 -0.550 0.000 1.114 183 S HN 1.051 nan 8.310 nan 0.000 0.468 184 A N 1.586 123.692 122.820 -1.191 0.000 1.930 184 A HA 0.005 4.326 4.320 0.001 0.000 0.217 184 A C 2.115 179.522 177.584 -0.294 0.000 1.175 184 A CA 1.558 53.281 52.037 -0.523 0.000 0.627 184 A CB -0.680 18.262 19.000 -0.096 0.000 0.815 184 A HN 0.898 nan 8.150 nan 0.000 0.443 185 R N -0.992 119.333 120.500 -0.291 0.000 2.127 185 R HA 0.001 4.341 4.340 0.001 0.000 0.217 185 R C 1.862 178.053 176.300 -0.183 0.000 1.074 185 R CA 1.180 57.171 56.100 -0.182 0.000 0.991 185 R CB -0.287 29.915 30.300 -0.162 0.000 0.895 185 R HN 0.432 nan 8.270 nan 0.000 0.450 186 G N -0.858 107.786 108.800 -0.259 0.000 3.020 186 G HA2 0.357 4.318 3.960 0.001 0.000 0.217 186 G HA3 0.357 4.318 3.960 0.001 0.000 0.217 186 G C 0.475 175.264 174.900 -0.185 0.000 1.144 186 G CA 0.255 45.238 45.100 -0.196 0.000 0.760 186 G HN 0.651 nan 8.290 nan 0.000 0.548 187 G N 0.023 108.651 108.800 -0.286 0.000 2.562 187 G HA2 -0.168 3.793 3.960 0.001 0.000 0.250 187 G HA3 -0.168 3.793 3.960 0.001 0.000 0.250 187 G C -0.249 174.592 174.900 -0.100 0.000 1.269 187 G CA 0.156 45.167 45.100 -0.149 0.000 0.919 187 G HN 0.769 nan 8.290 nan 0.000 0.574 188 Q N 0.413 120.288 119.800 0.125 0.000 2.340 188 Q HA 0.639 4.980 4.340 0.001 0.000 0.259 188 Q C 0.311 176.369 176.000 0.095 0.000 0.964 188 Q CA 0.167 56.085 55.803 0.192 0.000 0.900 188 Q CB 0.817 29.718 28.738 0.273 0.000 1.228 188 Q HN 0.711 nan 8.270 nan 0.000 0.449 189 T N 4.486 119.082 114.554 0.068 0.000 2.907 189 T HA 0.453 4.804 4.350 0.001 0.000 0.298 189 T C -0.223 174.507 174.700 0.050 0.000 1.017 189 T CA -0.277 61.847 62.100 0.041 0.000 1.118 189 T CB 0.467 69.348 68.868 0.021 0.000 0.948 189 T HN 0.498 nan 8.240 nan 0.000 0.531 190 R N 2.186 122.714 120.500 0.047 0.000 2.711 190 R HA 0.358 4.699 4.340 0.001 0.000 0.284 190 R C -0.065 176.266 176.300 0.052 0.000 0.968 190 R CA -0.993 55.137 56.100 0.050 0.000 0.924 190 R CB 1.004 31.343 30.300 0.066 0.000 1.162 190 R HN 0.475 nan 8.270 nan 0.000 0.465 191 N N 3.678 122.404 118.700 0.043 0.000 2.452 191 N HA 0.027 4.768 4.740 0.001 0.000 0.266 191 N C -1.649 173.907 175.510 0.077 0.000 1.175 191 N CA -1.445 51.645 53.050 0.067 0.000 0.945 191 N CB 1.099 39.618 38.487 0.053 0.000 1.063 191 N HN 0.362 nan 8.380 nan 0.000 0.472 192 P HA -0.103 nan 4.420 nan 0.000 0.226 192 P C 0.566 177.665 177.300 -0.335 0.000 1.153 192 P CA 1.105 64.159 63.100 -0.076 0.000 0.777 192 P CB 0.045 31.702 31.700 -0.072 0.000 0.794 193 Y N 0.089 120.306 120.300 -0.138 0.000 2.457 193 Y HA 0.102 4.654 4.550 0.004 0.000 0.292 193 Y C 1.559 177.370 175.900 -0.149 0.000 1.125 193 Y CA 0.714 58.718 58.100 -0.159 0.000 1.254 193 Y CB 0.221 38.614 38.460 -0.112 0.000 1.012 193 Y HN -0.133 nan 8.280 nan 0.000 0.555 194 R N 0.272 120.772 120.500 -0.000 0.000 3.090 194 R HA 0.161 4.502 4.340 0.001 0.000 0.279 194 R C 0.038 176.350 176.300 0.019 0.000 1.462 194 R CA -0.169 55.894 56.100 -0.060 0.000 1.044 194 R CB 0.033 30.180 30.300 -0.254 0.000 1.365 194 R HN 0.170 nan 8.270 nan 0.000 0.399 195 I N 0.696 121.294 120.570 0.046 0.000 2.800 195 I HA -0.101 4.070 4.170 0.001 0.000 0.266 195 I C 1.424 177.604 176.117 0.105 0.000 1.249 195 I CA 1.558 62.906 61.300 0.080 0.000 1.458 195 I CB -0.077 37.976 38.000 0.088 0.000 1.093 195 I HN 0.442 nan 8.210 nan 0.000 0.466 196 S N -1.345 114.448 115.700 0.154 0.000 2.528 196 S HA 0.105 4.575 4.470 0.001 0.000 0.219 196 S C 0.805 175.537 174.600 0.219 0.000 0.985 196 S CA -0.125 58.192 58.200 0.195 0.000 0.914 196 S CB -0.881 62.468 63.200 0.248 0.000 0.776 196 S HN 0.614 nan 8.310 nan 0.000 0.526 197 H N 0.904 119.957 119.070 -0.028 0.000 2.544 197 H HA 0.465 5.022 4.556 0.001 0.000 0.342 197 H C -0.236 174.968 175.328 -0.206 0.000 1.185 197 H CA -0.741 55.242 56.048 -0.108 0.000 1.264 197 H CB 1.457 31.169 29.762 -0.084 0.000 1.607 197 H HN 0.199 nan 8.280 nan 0.000 0.550 198 S N 1.693 117.160 115.700 -0.389 0.000 2.564 198 S HA 0.033 4.504 4.470 0.001 0.000 0.278 198 S C -1.561 172.796 174.600 -0.404 0.000 1.333 198 S CA -1.239 56.633 58.200 -0.547 0.000 1.048 198 S CB 0.511 62.931 63.200 -1.300 0.000 0.900 198 S HN 0.559 nan 8.310 nan 0.000 0.505 199 P HA 0.189 nan 4.420 nan 0.000 0.261 199 P C 0.683 177.919 177.300 -0.106 0.000 1.268 199 P CA -0.018 63.017 63.100 -0.109 0.000 0.833 199 P CB -0.769 30.914 31.700 -0.028 0.000 1.231 200 C N -1.599 117.599 119.300 -0.171 0.000 0.168 200 C HA 0.066 4.527 4.460 0.001 0.000 0.017 200 C C 0.866 175.893 174.990 0.063 0.000 0.171 200 C CA 0.542 59.569 59.018 0.016 0.000 0.499 200 C CB -1.261 26.521 27.740 0.071 0.000 3.212 200 C HN 0.604 nan 8.230 nan 0.000 1.118 201 G N -1.354 107.496 108.800 0.083 0.000 2.489 201 G HA2 0.622 4.583 3.960 0.001 0.000 0.305 201 G HA3 0.622 4.583 3.960 0.001 0.000 0.305 201 G C 0.267 175.191 174.900 0.039 0.000 1.311 201 G CA 0.641 45.777 45.100 0.060 0.000 0.813 201 G HN 1.989 nan 8.290 nan 0.000 0.480 202 S N -0.906 114.816 115.700 0.037 0.000 2.501 202 S HA 0.077 4.547 4.470 0.001 0.000 0.220 202 S C 1.443 176.060 174.600 0.028 0.000 0.997 202 S CA 0.974 59.204 58.200 0.051 0.000 0.919 202 S CB 0.184 63.423 63.200 0.064 0.000 0.778 202 S HN 0.509 nan 8.310 nan 0.000 0.523 203 S N 2.943 118.650 115.700 0.012 0.000 3.361 203 S HA 0.146 4.616 4.470 0.001 0.000 0.246 203 S C 1.276 175.876 174.600 0.000 0.000 1.237 203 S CA -0.019 58.180 58.200 -0.001 0.000 1.240 203 S CB -0.768 62.428 63.200 -0.007 0.000 1.154 203 S HN 0.554 nan 8.310 nan 0.000 0.461 204 S N 2.179 117.884 115.700 0.007 0.000 2.351 204 S HA -0.127 4.344 4.470 0.001 0.000 0.220 204 S C 2.355 176.957 174.600 0.003 0.000 1.035 204 S CA 1.316 59.522 58.200 0.009 0.000 1.031 204 S CB -0.842 62.369 63.200 0.019 0.000 0.928 204 S HN 0.712 nan 8.310 nan 0.000 0.433 205 G N 1.046 109.841 108.800 -0.008 0.000 2.422 205 G HA2 -0.160 3.800 3.960 0.001 0.000 0.218 205 G HA3 -0.160 3.800 3.960 0.001 0.000 0.218 205 G C 1.564 176.455 174.900 -0.015 0.000 1.146 205 G CA 1.109 46.200 45.100 -0.015 0.000 0.769 205 G HN 0.509 nan 8.290 nan 0.000 0.547 206 S N 0.819 116.509 115.700 -0.017 0.000 2.368 206 S HA 0.025 4.496 4.470 0.001 0.000 0.224 206 S C 2.788 177.385 174.600 -0.004 0.000 1.029 206 S CA 1.160 59.349 58.200 -0.018 0.000 0.988 206 S CB -0.309 62.880 63.200 -0.019 0.000 0.838 206 S HN 0.577 nan 8.310 nan 0.000 0.462 207 A N 1.019 123.843 122.820 0.007 0.000 1.873 207 A HA -0.023 4.298 4.320 0.001 0.000 0.215 207 A C 2.328 179.939 177.584 0.045 0.000 1.186 207 A CA 1.413 53.465 52.037 0.025 0.000 0.616 207 A CB -0.903 18.111 19.000 0.023 0.000 0.823 207 A HN 0.333 nan 8.150 nan 0.000 0.442 208 V N -0.025 119.914 119.914 0.040 0.000 2.343 208 V HA -0.250 3.870 4.120 0.001 0.000 0.247 208 V C 3.065 179.187 176.094 0.046 0.000 1.051 208 V CA 1.935 64.269 62.300 0.057 0.000 1.036 208 V CB -1.242 30.608 31.823 0.046 0.000 0.654 208 V HN 0.616 nan 8.190 nan 0.000 0.451 209 A N -0.267 122.561 122.820 0.013 0.000 1.908 209 A HA -0.173 4.148 4.320 0.001 0.000 0.218 209 A C 2.389 179.970 177.584 -0.005 0.000 1.181 209 A CA 2.191 54.220 52.037 -0.013 0.000 0.627 209 A CB -0.690 18.283 19.000 -0.046 0.000 0.818 209 A HN 0.344 nan 8.150 nan 0.000 0.445 210 V N -0.300 119.619 119.914 0.008 0.000 2.358 210 V HA -0.203 3.918 4.120 0.001 0.000 0.246 210 V C 3.027 179.165 176.094 0.073 0.000 1.047 210 V CA 1.829 64.145 62.300 0.027 0.000 1.035 210 V CB -1.136 30.704 31.823 0.028 0.000 0.658 210 V HN 0.613 nan 8.190 nan 0.000 0.452 211 A N -0.121 122.754 122.820 0.091 0.000 1.972 211 A HA 0.008 4.329 4.320 0.001 0.000 0.219 211 A C 2.141 179.782 177.584 0.096 0.000 1.169 211 A CA 1.764 53.877 52.037 0.128 0.000 0.635 211 A CB -0.471 18.647 19.000 0.197 0.000 0.810 211 A HN 0.593 nan 8.150 nan 0.000 0.446 212 A N -1.248 121.632 122.820 0.099 0.000 2.307 212 A HA 0.342 4.663 4.320 0.001 0.000 0.218 212 A C 0.604 178.232 177.584 0.073 0.000 1.228 212 A CA 0.375 52.500 52.037 0.147 0.000 0.857 212 A CB -0.717 18.390 19.000 0.177 0.000 0.897 212 A HN 0.595 nan 8.150 nan 0.000 0.495 213 N N -1.124 117.632 118.700 0.093 0.000 2.740 213 N HA -0.157 4.584 4.740 0.001 0.000 0.248 213 N C 0.344 175.919 175.510 0.109 0.000 1.062 213 N CA 0.713 53.859 53.050 0.161 0.000 0.704 213 N CB -1.463 37.170 38.487 0.244 0.000 0.968 213 N HN 0.543 nan 8.380 nan 0.000 0.547 214 L N -1.905 119.313 121.223 -0.008 0.000 2.558 214 L HA 0.440 4.781 4.340 0.001 0.000 0.225 214 L C 1.009 177.695 176.870 -0.307 0.000 1.128 214 L CA 0.551 55.358 54.840 -0.056 0.000 0.868 214 L CB -0.098 41.912 42.059 -0.082 0.000 1.006 214 L HN 0.436 nan 8.230 nan 0.000 0.454 215 A N -1.424 121.042 122.820 -0.591 0.000 2.586 215 A HA 0.386 4.707 4.320 0.001 0.000 0.290 215 A C 0.506 177.668 177.584 -0.703 0.000 1.086 215 A CA 0.127 51.492 52.037 -1.119 0.000 0.665 215 A CB 0.936 19.636 19.000 -0.500 0.000 1.279 215 A HN -0.172 nan 8.150 nan 0.000 0.423 216 S N -1.118 114.276 115.700 -0.510 0.000 2.345 216 S HA 0.158 4.629 4.470 0.001 0.000 0.219 216 S C 0.837 175.415 174.600 -0.036 0.000 1.031 216 S CA 2.171 60.338 58.200 -0.054 0.000 0.984 216 S CB -0.535 62.687 63.200 0.038 0.000 0.874 216 S HN 2.176 nan 8.310 nan 0.000 0.451 217 V N -2.911 116.956 119.914 -0.078 0.000 3.202 217 V HA 0.973 5.094 4.120 0.001 0.000 0.306 217 V C -0.766 175.290 176.094 -0.063 0.000 1.283 217 V CA -0.658 61.617 62.300 -0.041 0.000 1.065 217 V CB 1.121 32.936 31.823 -0.013 0.000 1.079 217 V HN 0.496 nan 8.190 nan 0.000 0.448 218 A N 1.000 123.796 122.820 -0.039 0.000 2.594 218 A HA 0.932 5.252 4.320 0.001 0.000 0.291 218 A C -1.568 176.000 177.584 -0.026 0.000 1.105 218 A CA -0.687 51.324 52.037 -0.042 0.000 0.694 218 A CB 1.855 20.830 19.000 -0.043 0.000 1.291 218 A HN 0.944 nan 8.150 nan 0.000 0.410 219 I N 1.076 121.630 120.570 -0.026 0.000 2.433 219 I HA 0.634 4.805 4.170 0.001 0.000 0.292 219 I C 0.701 176.809 176.117 -0.015 0.000 1.001 219 I CA -0.137 61.153 61.300 -0.016 0.000 1.119 219 I CB 0.894 38.886 38.000 -0.013 0.000 1.289 219 I HN 0.863 nan 8.210 nan 0.000 0.438 220 G N 3.546 112.340 108.800 -0.010 0.000 3.042 220 G HA2 0.814 4.774 3.960 0.001 0.000 0.278 220 G HA3 0.814 4.774 3.960 0.001 0.000 0.278 220 G C -0.925 173.973 174.900 -0.003 0.000 1.371 220 G CA -0.425 44.670 45.100 -0.009 0.000 1.009 220 G HN 0.624 nan 8.290 nan 0.000 0.523 221 T N -2.709 111.844 114.554 -0.002 0.000 2.903 221 T HA 0.716 5.066 4.350 0.001 0.000 0.299 221 T C -1.159 173.541 174.700 -0.000 0.000 1.093 221 T CA -0.700 61.402 62.100 0.004 0.000 1.002 221 T CB 2.555 71.430 68.868 0.012 0.000 1.127 221 T HN 0.669 nan 8.240 nan 0.000 0.488 222 E N 0.327 120.526 120.200 -0.001 0.000 2.292 222 E HA 0.594 4.945 4.350 0.001 0.000 0.272 222 E C -0.326 176.271 176.600 -0.004 0.000 0.881 222 E CA -0.735 55.661 56.400 -0.007 0.000 0.754 222 E CB 2.093 31.782 29.700 -0.019 0.000 1.201 222 E HN 0.706 nan 8.360 nan 0.000 0.425 223 T N 2.100 116.653 114.554 -0.001 0.000 3.098 223 T HA 0.128 4.479 4.350 0.001 0.000 0.246 223 T C -0.551 174.154 174.700 0.008 0.000 0.983 223 T CA 0.022 62.113 62.100 -0.014 0.000 1.094 223 T CB 0.257 69.104 68.868 -0.034 0.000 1.035 223 T HN 0.445 nan 8.240 nan 0.000 0.456 224 D N -0.419 120.009 120.400 0.047 0.000 2.445 224 D HA 0.389 5.030 4.640 0.001 0.000 0.236 224 D C 0.684 177.071 176.300 0.146 0.000 1.315 224 D CA 0.661 54.731 54.000 0.116 0.000 0.924 224 D CB 0.383 41.270 40.800 0.143 0.000 1.447 224 D HN 0.403 nan 8.370 nan 0.000 0.532 225 G N 1.903 110.721 108.800 0.031 0.000 2.217 225 G HA2 -0.328 3.632 3.960 0.001 0.000 0.246 225 G HA3 -0.328 3.632 3.960 0.001 0.000 0.246 225 G C 1.321 176.084 174.900 -0.227 0.000 0.990 225 G CA 0.490 45.397 45.100 -0.322 0.000 0.627 225 G HN 0.459 nan 8.290 nan 0.000 0.522 226 S N -0.219 115.435 115.700 -0.077 0.000 2.500 226 S HA 0.166 4.637 4.470 0.001 0.000 0.239 226 S C 2.066 176.635 174.600 -0.051 0.000 0.989 226 S CA 1.262 59.437 58.200 -0.042 0.000 0.951 226 S CB -0.057 63.143 63.200 0.001 0.000 0.759 226 S HN 0.589 nan 8.310 nan 0.000 0.523 227 I N 0.028 120.554 120.570 -0.074 0.000 3.132 227 I HA -0.015 4.155 4.170 0.001 0.000 0.255 227 I C 2.178 178.250 176.117 -0.076 0.000 1.118 227 I CA 0.399 61.666 61.300 -0.055 0.000 1.463 227 I CB -0.224 37.754 38.000 -0.036 0.000 1.356 227 I HN 0.179 nan 8.210 nan 0.000 0.463 228 V N -1.572 118.269 119.914 -0.120 0.000 2.515 228 V HA -0.257 3.863 4.120 0.001 0.000 0.250 228 V C 2.364 178.364 176.094 -0.157 0.000 1.058 228 V CA 1.522 63.749 62.300 -0.122 0.000 1.064 228 V CB -1.218 30.537 31.823 -0.113 0.000 0.675 228 V HN 0.572 nan 8.190 nan 0.000 0.461 229 C N 1.705 120.844 119.300 -0.269 0.000 2.462 229 C HA 0.087 4.548 4.460 0.001 0.000 0.278 229 C C 0.911 175.876 174.990 -0.042 0.000 1.253 229 C CA 1.773 60.683 59.018 -0.180 0.000 1.713 229 C CB -1.359 26.247 27.740 -0.223 0.000 2.049 229 C HN 0.576 nan 8.230 nan 0.000 0.477 230 P HA -0.017 nan 4.420 nan 0.000 0.221 230 P C 1.307 178.606 177.300 -0.002 0.000 1.150 230 P CA 2.347 65.444 63.100 -0.006 0.000 0.800 230 P CB -0.191 31.507 31.700 -0.002 0.000 0.787 231 A N 0.961 123.775 122.820 -0.010 0.000 1.877 231 A HA -0.057 4.264 4.320 0.001 0.000 0.216 231 A C 2.528 180.117 177.584 0.008 0.000 1.186 231 A CA 2.238 54.279 52.037 0.007 0.000 0.620 231 A CB -1.565 17.439 19.000 0.006 0.000 0.822 231 A HN 0.222 nan 8.150 nan 0.000 0.443 232 A N -0.162 122.659 122.820 0.001 0.000 1.902 232 A HA -0.055 4.266 4.320 0.001 0.000 0.217 232 A C 2.002 179.573 177.584 -0.021 0.000 1.181 232 A CA 1.558 53.596 52.037 0.001 0.000 0.623 232 A CB -0.505 18.504 19.000 0.014 0.000 0.818 232 A HN 0.409 nan 8.150 nan 0.000 0.443 233 I N 0.583 121.151 120.570 -0.004 0.000 2.454 233 I HA -0.165 4.006 4.170 0.001 0.000 0.254 233 I C 0.805 176.881 176.117 -0.069 0.000 1.156 233 I CA 1.267 62.556 61.300 -0.018 0.000 1.433 233 I CB -0.984 37.017 38.000 0.001 0.000 1.082 233 I HN 0.366 nan 8.210 nan 0.000 0.432 234 N N 0.622 119.305 118.700 -0.028 0.000 2.238 234 N HA 0.119 4.860 4.740 0.001 0.000 0.222 234 N C 1.047 176.580 175.510 0.037 0.000 1.133 234 N CA 0.641 53.718 53.050 0.044 0.000 0.854 234 N CB 0.905 39.461 38.487 0.116 0.000 1.041 234 N HN 0.363 nan 8.380 nan 0.000 0.510 235 G N 1.219 109.955 108.800 -0.107 0.000 2.273 235 G HA2 -0.258 3.703 3.960 0.001 0.000 0.280 235 G HA3 -0.258 3.703 3.960 0.001 0.000 0.280 235 G C 0.175 175.108 174.900 0.055 0.000 1.047 235 G CA 0.942 45.998 45.100 -0.075 0.000 0.869 235 G HN 0.330 nan 8.290 nan 0.000 0.502 236 V N -4.294 115.655 119.914 0.058 0.000 3.158 236 V HA 0.892 5.012 4.120 0.001 0.000 0.311 236 V C 0.548 176.679 176.094 0.062 0.000 1.181 236 V CA -1.257 61.087 62.300 0.073 0.000 1.054 236 V CB 2.007 33.877 31.823 0.077 0.000 1.085 236 V HN 0.528 nan 8.190 nan 0.000 0.446 237 V N 1.097 121.050 119.914 0.065 0.000 2.546 237 V HA 0.767 4.887 4.120 0.001 0.000 0.284 237 V C 0.851 176.969 176.094 0.041 0.000 1.050 237 V CA 0.820 63.156 62.300 0.061 0.000 0.981 237 V CB 0.931 32.793 31.823 0.065 0.000 0.990 237 V HN 1.325 nan 8.190 nan 0.000 0.474 238 G N 4.069 112.889 108.800 0.034 0.000 2.687 238 G HA2 0.655 4.616 3.960 0.001 0.000 0.301 238 G HA3 0.655 4.616 3.960 0.001 0.000 0.301 238 G C -1.658 173.249 174.900 0.011 0.000 1.416 238 G CA -0.503 44.606 45.100 0.014 0.000 1.005 238 G HN 0.697 nan 8.290 nan 0.000 0.509 239 L N 2.019 123.240 121.223 -0.004 0.000 2.372 239 L HA 0.632 4.973 4.340 0.001 0.000 0.274 239 L C -0.403 176.454 176.870 -0.022 0.000 0.988 239 L CA -0.916 53.916 54.840 -0.014 0.000 0.833 239 L CB 1.699 43.736 42.059 -0.035 0.000 1.236 239 L HN 0.417 nan 8.230 nan 0.000 0.410 240 K N 7.792 128.183 120.400 -0.016 0.000 2.292 240 K HA 0.494 4.815 4.320 0.001 0.000 0.270 240 K C -2.564 174.020 176.600 -0.028 0.000 1.062 240 K CA -1.791 54.484 56.287 -0.019 0.000 0.916 240 K CB 1.350 33.843 32.500 -0.013 0.000 1.166 240 K HN 0.309 nan 8.250 nan 0.000 0.458 241 P HA 0.070 nan 4.420 nan 0.000 0.279 241 P C -0.545 176.707 177.300 -0.080 0.000 1.282 241 P CA -0.367 62.701 63.100 -0.055 0.000 0.788 241 P CB 0.412 32.087 31.700 -0.040 0.000 1.139 242 T N 0.093 114.554 114.554 -0.156 0.000 2.940 242 T HA 0.086 4.437 4.350 0.001 0.000 0.309 242 T C 0.350 174.913 174.700 -0.228 0.000 1.056 242 T CA -0.101 61.799 62.100 -0.333 0.000 1.137 242 T CB -0.159 68.193 68.868 -0.859 0.000 0.976 242 T HN 0.085 nan 8.240 nan 0.000 0.547 243 V N 3.731 123.537 119.914 -0.179 0.000 2.450 243 V HA 0.407 4.528 4.120 0.001 0.000 0.281 243 V C 1.476 177.581 176.094 0.018 0.000 1.019 243 V CA 1.485 63.756 62.300 -0.049 0.000 1.062 243 V CB 0.073 31.885 31.823 -0.018 0.000 0.979 243 V HN 1.268 nan 8.190 nan 0.000 0.477 244 G N 4.024 112.903 108.800 0.131 0.000 2.284 244 G HA2 -0.206 3.755 3.960 0.001 0.000 0.201 244 G HA3 -0.206 3.755 3.960 0.001 0.000 0.201 244 G C 0.439 175.553 174.900 0.357 0.000 0.998 244 G CA 0.216 45.481 45.100 0.275 0.000 0.651 244 G HN 0.668 nan 8.290 nan 0.000 0.489 245 L N 1.099 122.532 121.223 0.349 0.000 2.109 245 L HA 0.495 4.836 4.340 0.001 0.000 0.207 245 L C 0.942 177.943 176.870 0.219 0.000 1.086 245 L CA 1.520 56.577 54.840 0.361 0.000 0.760 245 L CB 0.181 42.427 42.059 0.311 0.000 0.910 245 L HN 0.192 nan 8.230 nan 0.000 0.437 246 V N -0.146 119.866 119.914 0.165 0.000 2.487 246 V HA 0.337 4.458 4.120 0.001 0.000 0.298 246 V C 0.176 176.354 176.094 0.140 0.000 1.028 246 V CA -0.742 61.648 62.300 0.150 0.000 0.860 246 V CB 1.273 33.163 31.823 0.113 0.000 0.991 246 V HN 0.191 nan 8.190 nan 0.000 0.427 247 S N 3.399 119.195 115.700 0.160 0.000 2.552 247 S HA 0.153 4.624 4.470 0.001 0.000 0.289 247 S C 0.969 175.650 174.600 0.134 0.000 1.304 247 S CA -0.083 58.186 58.200 0.116 0.000 1.063 247 S CB 0.246 63.489 63.200 0.071 0.000 0.848 247 S HN 0.677 nan 8.310 nan 0.000 0.499 248 R N 2.112 122.679 120.500 0.112 0.000 2.359 248 R HA 0.274 4.615 4.340 0.001 0.000 0.231 248 R C -0.270 176.121 176.300 0.151 0.000 0.913 248 R CA -0.092 56.082 56.100 0.123 0.000 1.075 248 R CB -0.115 30.256 30.300 0.118 0.000 1.087 248 R HN 0.608 nan 8.270 nan 0.000 0.515 249 D N -0.259 120.230 120.400 0.149 0.000 2.424 249 D HA 0.246 4.887 4.640 0.001 0.000 0.244 249 D C 1.090 177.528 176.300 0.230 0.000 1.134 249 D CA 1.620 55.732 54.000 0.186 0.000 0.881 249 D CB 0.615 41.499 40.800 0.140 0.000 1.191 249 D HN 0.313 nan 8.370 nan 0.000 0.445 250 G N 2.670 111.652 108.800 0.303 0.000 2.136 250 G HA2 -0.223 3.737 3.960 0.001 0.000 0.242 250 G HA3 -0.223 3.737 3.960 0.001 0.000 0.242 250 G C 0.190 175.219 174.900 0.216 0.000 0.989 250 G CA 0.138 45.365 45.100 0.213 0.000 0.682 250 G HN 0.508 nan 8.290 nan 0.000 0.522 251 I N 0.892 121.618 120.570 0.261 0.000 2.465 251 I HA 0.401 4.572 4.170 0.001 0.000 0.291 251 I C 0.820 176.946 176.117 0.015 0.000 1.014 251 I CA -1.247 60.133 61.300 0.134 0.000 1.093 251 I CB 1.714 39.769 38.000 0.092 0.000 1.267 251 I HN -0.063 nan 8.210 nan 0.000 0.431 252 I N 8.405 128.824 120.570 -0.252 0.000 2.662 252 I HA 0.045 4.216 4.170 0.001 0.000 0.285 252 I C -1.782 174.234 176.117 -0.169 0.000 1.161 252 I CA -0.899 60.056 61.300 -0.575 0.000 1.415 252 I CB 0.069 37.836 38.000 -0.389 0.000 1.385 252 I HN 0.331 nan 8.210 nan 0.000 0.552 253 P HA 0.438 nan 4.420 nan 0.000 0.287 253 P C 0.168 177.528 177.300 0.100 0.000 1.296 253 P CA -0.271 62.835 63.100 0.010 0.000 0.811 253 P CB 2.418 34.138 31.700 0.034 0.000 1.211 254 I N -1.533 119.073 120.570 0.059 0.000 3.685 254 I HA 0.109 4.280 4.170 0.001 0.000 0.258 254 I C 0.660 176.713 176.117 -0.108 0.000 1.135 254 I CA 0.294 61.603 61.300 0.015 0.000 1.436 254 I CB 0.315 38.181 38.000 -0.224 0.000 1.670 254 I HN 0.282 nan 8.210 nan 0.000 0.424 255 S N 0.776 116.393 115.700 -0.138 0.000 2.647 255 S HA 0.330 4.801 4.470 0.001 0.000 0.300 255 S C 0.368 174.888 174.600 -0.134 0.000 1.129 255 S CA -0.688 57.375 58.200 -0.227 0.000 1.029 255 S CB 0.829 63.882 63.200 -0.245 0.000 1.007 255 S HN 0.290 nan 8.310 nan 0.000 0.484 256 F N 3.291 123.254 119.950 0.022 0.000 2.407 256 F HA 0.205 4.733 4.527 0.002 0.000 0.299 256 F C 1.858 177.675 175.800 0.029 0.000 1.097 256 F CA 0.563 58.582 58.000 0.030 0.000 1.422 256 F CB -0.990 38.034 39.000 0.039 0.000 1.067 256 F HN 0.483 nan 8.300 nan 0.000 0.539 257 S N -0.088 115.560 115.700 -0.088 0.000 2.414 257 S HA -0.078 4.393 4.470 0.001 0.000 0.227 257 S C 1.738 176.324 174.600 -0.024 0.000 1.022 257 S CA 1.267 59.476 58.200 0.014 0.000 0.958 257 S CB -0.202 62.934 63.200 -0.107 0.000 0.797 257 S HN 0.591 nan 8.310 nan 0.000 0.493 258 Q N -0.102 119.659 119.800 -0.065 0.000 2.322 258 Q HA 0.173 4.514 4.340 0.001 0.000 0.250 258 Q C -0.752 175.229 176.000 -0.032 0.000 0.853 258 Q CA -0.190 55.575 55.803 -0.063 0.000 0.951 258 Q CB 0.358 29.042 28.738 -0.089 0.000 1.114 258 Q HN 0.288 nan 8.270 nan 0.000 0.523 259 D N 1.818 122.211 120.400 -0.013 0.000 2.443 259 D HA 0.157 4.798 4.640 0.001 0.000 0.239 259 D C -0.245 176.072 176.300 0.027 0.000 1.136 259 D CA 1.097 55.102 54.000 0.009 0.000 0.879 259 D CB 1.084 41.903 40.800 0.030 0.000 1.195 259 D HN -0.117 nan 8.370 nan 0.000 0.443 260 T N -0.237 114.331 114.554 0.022 0.000 3.087 260 T HA 0.584 4.934 4.350 0.001 0.000 0.351 260 T C -1.322 173.393 174.700 0.025 0.000 1.520 260 T CA -0.672 61.446 62.100 0.031 0.000 1.111 260 T CB 0.780 69.659 68.868 0.019 0.000 1.353 260 T HN 0.335 nan 8.240 nan 0.000 0.481 261 A N 1.870 124.712 122.820 0.037 0.000 2.287 261 A HA 0.958 5.279 4.320 0.001 0.000 0.273 261 A C 0.691 178.285 177.584 0.016 0.000 1.091 261 A CA 0.191 52.245 52.037 0.028 0.000 0.817 261 A CB 0.382 19.407 19.000 0.041 0.000 1.069 261 A HN 1.506 nan 8.150 nan 0.000 0.492 262 G N -0.178 108.625 108.800 0.005 0.000 2.632 262 G HA2 0.620 4.581 3.960 0.001 0.000 0.292 262 G HA3 0.620 4.581 3.960 0.001 0.000 0.292 262 G C -3.424 171.471 174.900 -0.009 0.000 1.465 262 G CA -0.867 44.229 45.100 -0.007 0.000 0.824 262 G HN 0.575 nan 8.290 nan 0.000 0.509 263 P HA 0.458 nan 4.420 nan 0.000 0.277 263 P C -0.801 176.496 177.300 -0.005 0.000 1.240 263 P CA -0.246 62.847 63.100 -0.011 0.000 0.798 263 P CB 1.404 33.096 31.700 -0.014 0.000 0.979 264 M N 1.691 121.290 119.600 -0.001 0.000 2.263 264 M HA 0.678 5.159 4.480 0.001 0.000 0.295 264 M C -0.589 175.719 176.300 0.014 0.000 1.028 264 M CA -0.401 54.904 55.300 0.007 0.000 0.921 264 M CB 2.641 35.242 32.600 0.002 0.000 1.601 264 M HN 0.441 nan 8.290 nan 0.000 0.440 265 A N 2.150 124.987 122.820 0.030 0.000 2.599 265 A HA 0.670 4.991 4.320 0.001 0.000 0.290 265 A C -0.221 177.400 177.584 0.061 0.000 1.101 265 A CA -0.760 51.303 52.037 0.042 0.000 0.674 265 A CB 1.537 20.562 19.000 0.042 0.000 1.277 265 A HN 0.926 nan 8.150 nan 0.000 0.419 266 R N -0.000 120.545 120.500 0.076 0.000 2.240 266 R HA 0.106 4.447 4.340 0.001 0.000 0.203 266 R C 0.472 176.824 176.300 0.088 0.000 1.011 266 R CA 1.287 57.441 56.100 0.090 0.000 1.007 266 R CB 0.034 30.397 30.300 0.105 0.000 0.911 266 R HN 0.783 nan 8.270 nan 0.000 0.468 267 S N -2.001 113.751 115.700 0.087 0.000 2.595 267 S HA 0.240 4.711 4.470 0.001 0.000 0.281 267 S C 0.852 175.513 174.600 0.102 0.000 1.117 267 S CA -1.032 57.227 58.200 0.097 0.000 0.873 267 S CB 2.076 65.341 63.200 0.108 0.000 1.108 267 S HN -0.192 nan 8.310 nan 0.000 0.477 268 V N 1.567 121.561 119.914 0.133 0.000 2.427 268 V HA -0.093 4.027 4.120 0.001 0.000 0.248 268 V C 2.959 179.125 176.094 0.120 0.000 1.051 268 V CA 2.398 64.780 62.300 0.136 0.000 1.048 268 V CB -1.575 30.369 31.823 0.202 0.000 0.666 268 V HN 1.016 nan 8.190 nan 0.000 0.456 269 A N 0.051 122.964 122.820 0.155 0.000 1.902 269 A HA -0.258 4.063 4.320 0.001 0.000 0.217 269 A C 1.976 179.592 177.584 0.053 0.000 1.181 269 A CA 2.129 54.208 52.037 0.070 0.000 0.623 269 A CB -0.611 18.448 19.000 0.099 0.000 0.818 269 A HN 0.527 nan 8.150 nan 0.000 0.443 270 D N -0.028 120.413 120.400 0.068 0.000 2.117 270 D HA -0.010 4.630 4.640 0.001 0.000 0.198 270 D C 2.231 178.554 176.300 0.039 0.000 0.982 270 D CA 1.502 55.535 54.000 0.054 0.000 0.828 270 D CB -0.431 40.406 40.800 0.061 0.000 0.967 270 D HN 0.414 nan 8.370 nan 0.000 0.464 271 A N 0.874 123.717 122.820 0.038 0.000 1.933 271 A HA -0.041 4.280 4.320 0.001 0.000 0.218 271 A C 2.280 179.867 177.584 0.004 0.000 1.175 271 A CA 2.126 54.173 52.037 0.016 0.000 0.628 271 A CB -0.713 18.296 19.000 0.014 0.000 0.814 271 A HN 0.231 nan 8.150 nan 0.000 0.444 272 A N -0.186 122.645 122.820 0.019 0.000 1.933 272 A HA 0.189 4.509 4.320 0.001 0.000 0.218 272 A C 2.478 180.109 177.584 0.077 0.000 1.175 272 A CA 1.950 54.011 52.037 0.041 0.000 0.628 272 A CB -0.922 18.113 19.000 0.057 0.000 0.814 272 A HN 1.014 nan 8.150 nan 0.000 0.444 273 A N -0.541 122.311 122.820 0.054 0.000 1.902 273 A HA 0.005 4.326 4.320 0.001 0.000 0.217 273 A C 2.221 179.838 177.584 0.056 0.000 1.181 273 A CA 1.783 53.853 52.037 0.056 0.000 0.623 273 A CB -0.882 18.140 19.000 0.038 0.000 0.818 273 A HN 0.376 nan 8.150 nan 0.000 0.443 274 V N -0.401 119.535 119.914 0.036 0.000 2.358 274 V HA -0.212 3.909 4.120 0.001 0.000 0.246 274 V C 2.477 178.590 176.094 0.032 0.000 1.047 274 V CA 1.857 64.172 62.300 0.025 0.000 1.035 274 V CB -0.754 31.074 31.823 0.009 0.000 0.658 274 V HN 0.563 nan 8.190 nan 0.000 0.452 275 L N 0.107 121.336 121.223 0.009 0.000 2.079 275 L HA -0.167 4.174 4.340 0.001 0.000 0.210 275 L C 2.482 179.427 176.870 0.125 0.000 1.081 275 L CA 2.395 57.216 54.840 -0.031 0.000 0.752 275 L CB -0.926 40.975 42.059 -0.265 0.000 0.896 275 L HN 0.348 nan 8.230 nan 0.000 0.433 276 T N -0.438 114.264 114.554 0.247 0.000 2.759 276 T HA -0.179 4.172 4.350 0.001 0.000 0.269 276 T C 1.818 176.628 174.700 0.184 0.000 1.042 276 T CA 1.346 63.645 62.100 0.331 0.000 1.140 276 T CB -0.411 68.592 68.868 0.225 0.000 0.864 276 T HN 0.531 nan 8.240 nan 0.000 0.455 277 A N 1.326 124.214 122.820 0.113 0.000 1.970 277 A HA 0.156 4.476 4.320 0.001 0.000 0.216 277 A C 2.242 179.863 177.584 0.062 0.000 1.170 277 A CA 0.919 52.996 52.037 0.067 0.000 0.645 277 A CB -0.512 18.508 19.000 0.034 0.000 0.816 277 A HN 0.704 nan 8.150 nan 0.000 0.447 278 I N -3.442 117.173 120.570 0.074 0.000 3.427 278 I HA 0.387 4.557 4.170 0.001 0.000 0.288 278 I C 1.129 177.329 176.117 0.138 0.000 1.249 278 I CA 0.181 61.527 61.300 0.077 0.000 1.421 278 I CB -0.234 37.800 38.000 0.058 0.000 1.086 278 I HN 0.128 nan 8.210 nan 0.000 0.448 279 A N 1.713 124.634 122.820 0.168 0.000 2.462 279 A HA 0.627 4.947 4.320 0.001 0.000 0.243 279 A C 0.475 178.189 177.584 0.217 0.000 1.076 279 A CA 0.618 52.782 52.037 0.211 0.000 0.773 279 A CB -0.383 18.794 19.000 0.295 0.000 1.010 279 A HN 0.731 nan 8.150 nan 0.000 0.493 280 G N 0.828 109.757 108.800 0.216 0.000 2.376 280 G HA2 0.397 4.358 3.960 0.001 0.000 0.302 280 G HA3 0.397 4.358 3.960 0.001 0.000 0.302 280 G C -0.790 174.196 174.900 0.145 0.000 1.586 280 G CA -0.902 44.321 45.100 0.205 0.000 0.907 280 G HN 0.933 nan 8.290 nan 0.000 0.655 281 R N 0.366 120.909 120.500 0.070 0.000 2.438 281 R HA 0.483 4.824 4.340 0.001 0.000 0.287 281 R C -1.259 174.942 176.300 -0.166 0.000 1.077 281 R CA -0.208 55.877 56.100 -0.025 0.000 1.034 281 R CB 0.898 31.185 30.300 -0.022 0.000 0.993 281 R HN 0.487 nan 8.270 nan 0.000 0.459 282 D N 2.178 122.409 120.400 -0.282 0.000 2.788 282 D HA 0.121 4.762 4.640 0.001 0.000 0.247 282 D C -0.204 175.945 176.300 -0.253 0.000 1.236 282 D CA -0.549 53.142 54.000 -0.515 0.000 0.898 282 D CB 1.570 41.817 40.800 -0.922 0.000 1.401 282 D HN 0.473 nan 8.370 nan 0.000 0.549 283 D N 2.565 122.857 120.400 -0.179 0.000 2.221 283 D HA -0.131 4.509 4.640 0.001 0.000 0.204 283 D C 1.557 177.805 176.300 -0.087 0.000 0.982 283 D CA 1.046 54.986 54.000 -0.099 0.000 0.857 283 D CB 0.147 40.909 40.800 -0.063 0.000 0.934 283 D HN 0.527 nan 8.370 nan 0.000 0.475 284 A N 0.079 122.835 122.820 -0.106 0.000 2.167 284 A HA -0.073 4.248 4.320 0.001 0.000 0.214 284 A C 0.721 178.276 177.584 -0.049 0.000 1.151 284 A CA 0.422 52.421 52.037 -0.063 0.000 0.735 284 A CB 0.242 19.220 19.000 -0.036 0.000 0.802 284 A HN -0.030 nan 8.150 nan 0.000 0.467 285 D N -1.458 118.901 120.400 -0.069 0.000 2.420 285 D HA 0.380 5.021 4.640 0.001 0.000 0.255 285 D C -2.263 174.021 176.300 -0.027 0.000 1.185 285 D CA -2.085 51.897 54.000 -0.031 0.000 0.904 285 D CB 1.409 42.201 40.800 -0.014 0.000 1.102 285 D HN -0.105 nan 8.370 nan 0.000 0.534 286 P HA -0.134 nan 4.420 nan 0.000 0.218 286 P C 1.083 178.393 177.300 0.017 0.000 1.146 286 P CA 1.192 64.280 63.100 -0.019 0.000 0.813 286 P CB 0.315 31.991 31.700 -0.040 0.000 0.778 287 A N -0.448 122.398 122.820 0.043 0.000 2.019 287 A HA -0.180 4.141 4.320 0.001 0.000 0.219 287 A C 2.166 179.827 177.584 0.128 0.000 1.164 287 A CA 2.216 54.312 52.037 0.098 0.000 0.644 287 A CB -1.875 17.196 19.000 0.118 0.000 0.805 287 A HN 0.357 nan 8.150 nan 0.000 0.449 288 T N -3.079 111.524 114.554 0.081 0.000 3.072 288 T HA 0.262 4.612 4.350 0.001 0.000 0.266 288 T C 1.528 176.246 174.700 0.029 0.000 1.127 288 T CA 1.142 63.288 62.100 0.077 0.000 1.107 288 T CB -0.200 68.682 68.868 0.022 0.000 0.910 288 T HN 0.497 nan 8.240 nan 0.000 0.513 289 A N 1.784 124.613 122.820 0.016 0.000 2.218 289 A HA 0.188 4.509 4.320 0.001 0.000 0.209 289 A C 2.421 179.997 177.584 -0.012 0.000 1.168 289 A CA 1.018 53.046 52.037 -0.014 0.000 0.804 289 A CB -0.796 18.194 19.000 -0.016 0.000 0.834 289 A HN 0.667 nan 8.150 nan 0.000 0.482 290 T N -3.071 111.508 114.554 0.041 0.000 3.100 290 T HA 0.243 4.594 4.350 0.001 0.000 0.253 290 T C 0.744 175.432 174.700 -0.021 0.000 1.118 290 T CA 0.046 62.188 62.100 0.071 0.000 1.058 290 T CB -0.517 68.464 68.868 0.188 0.000 0.953 290 T HN 0.351 nan 8.240 nan 0.000 0.515 291 M N 4.114 123.574 119.600 -0.232 0.000 2.217 291 M HA 0.294 4.775 4.480 0.001 0.000 0.352 291 M C -2.315 173.591 176.300 -0.657 0.000 1.376 291 M CA -1.986 52.777 55.300 -0.894 0.000 1.107 291 M CB 0.887 32.943 32.600 -0.906 0.000 1.723 291 M HN -0.043 nan 8.290 nan 0.000 0.461 292 P HA 0.207 nan 4.420 nan 0.000 0.281 292 P C 0.064 177.139 177.300 -0.375 0.000 1.252 292 P CA 0.192 63.032 63.100 -0.433 0.000 0.778 292 P CB 0.733 32.221 31.700 -0.353 0.000 0.895 293 G N 3.041 111.701 108.800 -0.233 0.000 2.393 293 G HA2 -0.294 3.666 3.960 0.001 0.000 0.299 293 G HA3 -0.294 3.666 3.960 0.001 0.000 0.299 293 G C 0.331 175.121 174.900 -0.184 0.000 0.990 293 G CA -0.002 44.994 45.100 -0.174 0.000 1.118 293 G HN 0.843 nan 8.290 nan 0.000 0.513 294 R N 0.054 120.441 120.500 -0.189 0.000 2.543 294 R HA 0.613 4.954 4.340 0.001 0.000 0.277 294 R C 0.442 176.700 176.300 -0.071 0.000 1.074 294 R CA 0.536 56.549 56.100 -0.145 0.000 1.076 294 R CB 0.447 30.670 30.300 -0.129 0.000 0.993 294 R HN 0.919 nan 8.270 nan 0.000 0.459 295 A N 2.992 125.793 122.820 -0.031 0.000 2.593 295 A HA 0.348 4.669 4.320 0.001 0.000 0.290 295 A C -1.083 176.529 177.584 0.048 0.000 1.126 295 A CA -0.742 51.301 52.037 0.009 0.000 0.695 295 A CB 1.597 20.608 19.000 0.019 0.000 1.290 295 A HN 0.468 nan 8.150 nan 0.000 0.414 296 V N 1.820 121.757 119.914 0.039 0.000 2.324 296 V HA 0.069 4.190 4.120 0.001 0.000 0.244 296 V C -0.574 175.533 176.094 0.023 0.000 1.144 296 V CA 0.620 62.941 62.300 0.035 0.000 1.158 296 V CB -1.616 30.213 31.823 0.011 0.000 1.254 296 V HN 0.610 nan 8.190 nan 0.000 0.492 297 Y N 3.121 123.335 120.300 -0.143 0.000 2.326 297 Y HA 0.418 4.969 4.550 0.001 0.000 0.337 297 Y C 0.358 176.053 175.900 -0.341 0.000 1.023 297 Y CA -1.086 56.839 58.100 -0.291 0.000 1.143 297 Y CB 1.289 39.464 38.460 -0.475 0.000 1.183 297 Y HN 0.603 nan 8.280 nan 0.000 0.485 298 D N 4.615 124.603 120.400 -0.687 0.000 2.428 298 D HA 0.055 4.696 4.640 0.001 0.000 0.221 298 D C -0.059 175.927 176.300 -0.524 0.000 1.123 298 D CA 0.011 53.752 54.000 -0.432 0.000 0.869 298 D CB 0.161 40.770 40.800 -0.317 0.000 1.032 298 D HN 0.572 nan 8.370 nan 0.000 0.506 299 Y N 1.284 121.548 120.300 -0.060 0.000 2.497 299 Y HA -0.137 4.414 4.550 0.001 0.000 0.292 299 Y C 2.620 178.491 175.900 -0.049 0.000 1.137 299 Y CA 1.377 59.510 58.100 0.055 0.000 1.285 299 Y CB -0.307 38.236 38.460 0.138 0.000 0.991 299 Y HN 0.468 nan 8.280 nan 0.000 0.556 300 T N -3.349 111.216 114.554 0.018 0.000 3.035 300 T HA -0.030 4.321 4.350 0.001 0.000 0.268 300 T C 2.004 176.630 174.700 -0.123 0.000 1.109 300 T CA 0.709 62.775 62.100 -0.057 0.000 1.119 300 T CB -0.339 68.496 68.868 -0.055 0.000 0.900 300 T HN 0.286 nan 8.240 nan 0.000 0.503 301 A N 1.574 124.301 122.820 -0.156 0.000 2.119 301 A HA 0.117 4.438 4.320 0.001 0.000 0.217 301 A C 2.329 179.847 177.584 -0.110 0.000 1.153 301 A CA 0.340 52.278 52.037 -0.164 0.000 0.692 301 A CB -0.311 18.538 19.000 -0.252 0.000 0.799 301 A HN 0.318 nan 8.150 nan 0.000 0.458 302 R N -0.331 120.131 120.500 -0.064 0.000 2.334 302 R HA 0.203 4.544 4.340 0.001 0.000 0.220 302 R C -0.232 176.013 176.300 -0.091 0.000 0.917 302 R CA 0.036 56.136 56.100 -0.000 0.000 1.073 302 R CB -0.392 29.988 30.300 0.133 0.000 1.056 302 R HN 0.455 nan 8.270 nan 0.000 0.506 303 L N 2.355 123.418 121.223 -0.267 0.000 2.391 303 L HA 0.105 4.446 4.340 0.001 0.000 0.249 303 L C 0.056 176.667 176.870 -0.432 0.000 1.308 303 L CA -0.156 54.241 54.840 -0.739 0.000 1.209 303 L CB -0.280 41.168 42.059 -1.018 0.000 1.401 303 L HN -0.215 nan 8.230 nan 0.000 0.416 304 D N 3.636 124.022 120.400 -0.024 0.000 2.329 304 D HA 0.193 4.834 4.640 0.001 0.000 0.232 304 D C -1.386 175.107 176.300 0.321 0.000 1.088 304 D CA -2.176 51.908 54.000 0.139 0.000 0.835 304 D CB 1.922 42.775 40.800 0.088 0.000 1.078 304 D HN 0.086 nan 8.370 nan 0.000 0.495 305 P HA -0.107 nan 4.420 nan 0.000 0.228 305 P C 0.379 177.742 177.300 0.106 0.000 1.151 305 P CA 0.814 64.027 63.100 0.187 0.000 0.770 305 P CB 0.454 32.235 31.700 0.134 0.000 0.786 306 Q N -0.731 119.134 119.800 0.108 0.000 2.189 306 Q HA 0.215 4.556 4.340 0.001 0.000 0.221 306 Q C 1.861 177.915 176.000 0.089 0.000 0.848 306 Q CA -0.102 55.749 55.803 0.080 0.000 1.007 306 Q CB 0.004 28.780 28.738 0.063 0.000 1.116 306 Q HN 0.193 nan 8.270 nan 0.000 0.481 307 G N 0.592 109.461 108.800 0.115 0.000 2.535 307 G HA2 -0.174 3.787 3.960 0.001 0.000 0.218 307 G HA3 -0.174 3.787 3.960 0.001 0.000 0.218 307 G C 1.154 176.117 174.900 0.104 0.000 1.122 307 G CA 0.469 45.637 45.100 0.113 0.000 0.769 307 G HN 0.272 nan 8.290 nan 0.000 0.549 308 L N -0.351 120.935 121.223 0.105 0.000 2.585 308 L HA 0.264 4.604 4.340 0.001 0.000 0.226 308 L C 0.976 177.898 176.870 0.087 0.000 1.113 308 L CA -0.482 54.424 54.840 0.110 0.000 0.876 308 L CB 0.136 42.274 42.059 0.131 0.000 1.072 308 L HN -0.063 nan 8.230 nan 0.000 0.468 309 R N 1.041 121.586 120.500 0.074 0.000 2.480 309 R HA 0.116 4.457 4.340 0.001 0.000 0.303 309 R C 1.130 177.464 176.300 0.057 0.000 0.985 309 R CA 0.871 57.007 56.100 0.060 0.000 1.051 309 R CB -0.154 30.178 30.300 0.053 0.000 0.935 309 R HN 0.374 nan 8.270 nan 0.000 0.410 310 G N 2.499 111.330 108.800 0.052 0.000 2.184 310 G HA2 -0.273 3.687 3.960 0.001 0.000 0.264 310 G HA3 -0.273 3.687 3.960 0.001 0.000 0.264 310 G C 0.197 175.129 174.900 0.053 0.000 0.975 310 G CA 0.206 45.335 45.100 0.048 0.000 0.642 310 G HN 0.425 nan 8.290 nan 0.000 0.536 311 K N 0.356 120.794 120.400 0.063 0.000 2.168 311 K HA 0.550 4.871 4.320 0.001 0.000 0.258 311 K C 0.673 177.312 176.600 0.064 0.000 1.010 311 K CA -0.215 56.114 56.287 0.070 0.000 0.929 311 K CB 0.671 33.224 32.500 0.089 0.000 0.998 311 K HN 0.412 nan 8.250 nan 0.000 0.479 312 R N 1.463 122.001 120.500 0.063 0.000 2.480 312 R HA 0.520 4.861 4.340 0.001 0.000 0.306 312 R C -0.328 176.003 176.300 0.051 0.000 0.958 312 R CA -0.477 55.655 56.100 0.054 0.000 0.861 312 R CB 1.136 31.470 30.300 0.056 0.000 1.171 312 R HN 0.472 nan 8.270 nan 0.000 0.445 313 I N 0.969 121.557 120.570 0.030 0.000 2.509 313 I HA 0.420 4.591 4.170 0.001 0.000 0.293 313 I C 0.353 176.452 176.117 -0.031 0.000 1.020 313 I CA -0.920 60.386 61.300 0.010 0.000 1.088 313 I CB 2.420 40.421 38.000 0.001 0.000 1.267 313 I HN 0.662 nan 8.210 nan 0.000 0.430 314 G N 5.618 114.394 108.800 -0.039 0.000 2.370 314 G HA2 0.522 4.483 3.960 0.001 0.000 0.317 314 G HA3 0.522 4.483 3.960 0.001 0.000 0.317 314 G C -1.122 173.727 174.900 -0.084 0.000 1.162 314 G CA -0.416 44.641 45.100 -0.071 0.000 0.922 314 G HN 0.398 nan 8.290 nan 0.000 0.454 315 L N 4.123 125.288 121.223 -0.097 0.000 2.283 315 L HA 0.405 4.746 4.340 0.001 0.000 0.287 315 L C 0.264 177.087 176.870 -0.079 0.000 1.073 315 L CA -0.576 54.204 54.840 -0.100 0.000 0.822 315 L CB 0.436 42.438 42.059 -0.095 0.000 1.186 315 L HN 0.382 nan 8.230 nan 0.000 0.436 316 L N 5.628 126.810 121.223 -0.069 0.000 2.462 316 L HA 0.134 4.475 4.340 0.001 0.000 0.272 316 L C 0.289 177.134 176.870 -0.041 0.000 1.166 316 L CA -0.090 54.724 54.840 -0.045 0.000 0.880 316 L CB 0.121 42.162 42.059 -0.031 0.000 1.142 316 L HN 0.556 nan 8.230 nan 0.000 0.473 317 Q N 3.849 123.629 119.800 -0.033 0.000 2.377 317 Q HA 0.333 4.674 4.340 0.001 0.000 0.249 317 Q C 0.089 176.075 176.000 -0.024 0.000 1.005 317 Q CA -0.121 55.665 55.803 -0.028 0.000 0.912 317 Q CB 1.317 30.039 28.738 -0.026 0.000 1.223 317 Q HN 0.768 nan 8.270 nan 0.000 0.459 318 T N -1.265 113.275 114.554 -0.023 0.000 2.816 318 T HA 0.439 4.790 4.350 0.001 0.000 0.299 318 T C -2.294 172.399 174.700 -0.011 0.000 1.230 318 T CA -1.745 60.343 62.100 -0.021 0.000 1.007 318 T CB 1.654 70.506 68.868 -0.026 0.000 1.289 318 T HN 0.006 nan 8.240 nan 0.000 0.508 319 P HA 0.030 nan 4.420 nan 0.000 0.223 319 P C 1.507 178.828 177.300 0.035 0.000 1.144 319 P CA 0.170 63.277 63.100 0.011 0.000 0.783 319 P CB -0.001 31.707 31.700 0.012 0.000 0.771 320 L N -0.937 120.303 121.223 0.027 0.000 2.265 320 L HA -0.111 4.229 4.340 0.001 0.000 0.215 320 L C 1.860 178.749 176.870 0.032 0.000 1.117 320 L CA 1.564 56.424 54.840 0.033 0.000 0.782 320 L CB -1.077 40.975 42.059 -0.012 0.000 0.914 320 L HN -0.054 nan 8.230 nan 0.000 0.441 321 L N -0.933 120.298 121.223 0.013 0.000 2.275 321 L HA -0.126 4.215 4.340 0.001 0.000 0.215 321 L C 1.613 178.500 176.870 0.028 0.000 1.119 321 L CA 0.701 55.545 54.840 0.007 0.000 0.790 321 L CB -0.509 41.544 42.059 -0.010 0.000 0.919 321 L HN 0.174 nan 8.230 nan 0.000 0.443 322 K N -0.721 119.703 120.400 0.040 0.000 2.397 322 K HA 0.098 4.419 4.320 0.001 0.000 0.202 322 K C -0.114 176.516 176.600 0.049 0.000 1.022 322 K CA -0.355 55.951 56.287 0.031 0.000 1.141 322 K CB -0.340 32.165 32.500 0.008 0.000 0.857 322 K HN 0.074 nan 8.250 nan 0.000 0.514 323 Y N 2.747 123.009 120.300 -0.063 0.000 2.702 323 Y HA -0.082 4.465 4.550 -0.005 0.000 0.336 323 Y C 0.754 176.606 175.900 -0.081 0.000 1.235 323 Y CA -0.197 57.848 58.100 -0.092 0.000 1.492 323 Y CB 0.459 38.837 38.460 -0.136 0.000 1.308 323 Y HN 0.011 nan 8.280 nan 0.000 0.589 324 R N 4.006 124.235 120.500 -0.452 0.000 2.501 324 R HA 0.086 4.426 4.340 0.001 0.000 0.319 324 R C 1.134 177.383 176.300 -0.086 0.000 0.913 324 R CA 1.343 57.276 56.100 -0.278 0.000 1.104 324 R CB -0.788 29.291 30.300 -0.368 0.000 0.901 324 R HN 1.150 nan 8.270 nan 0.000 0.407 325 G N 3.787 112.579 108.800 -0.014 0.000 2.199 325 G HA2 -0.352 3.609 3.960 0.001 0.000 0.254 325 G HA3 -0.352 3.609 3.960 0.001 0.000 0.254 325 G C 0.502 175.440 174.900 0.063 0.000 0.982 325 G CA 0.407 45.524 45.100 0.029 0.000 0.632 325 G HN 0.610 nan 8.290 nan 0.000 0.529 326 M N 0.983 120.643 119.600 0.101 0.000 2.193 326 M HA 0.240 4.720 4.480 0.001 0.000 0.265 326 M C -0.087 176.234 176.300 0.034 0.000 1.071 326 M CA 1.757 57.104 55.300 0.079 0.000 1.140 326 M CB -0.781 31.886 32.600 0.111 0.000 1.369 326 M HN 0.139 nan 8.290 nan 0.000 0.423 327 P HA -0.173 nan 4.420 nan 0.000 0.217 327 P C -1.479 175.826 177.300 0.008 0.000 1.162 327 P CA 2.265 65.372 63.100 0.011 0.000 0.901 327 P CB -1.365 30.339 31.700 0.006 0.000 0.793 328 P HA -0.110 nan 4.420 nan 0.000 0.217 328 P C 1.539 178.848 177.300 0.016 0.000 1.150 328 P CA 1.214 64.321 63.100 0.012 0.000 0.832 328 P CB -0.461 31.246 31.700 0.012 0.000 0.787 329 L N -1.561 119.673 121.223 0.018 0.000 2.027 329 L HA -0.135 4.206 4.340 0.001 0.000 0.206 329 L C 2.337 179.217 176.870 0.017 0.000 1.074 329 L CA 1.105 55.959 54.840 0.023 0.000 0.745 329 L CB -0.864 41.206 42.059 0.019 0.000 0.898 329 L HN -0.069 nan 8.230 nan 0.000 0.433 330 I N 0.016 120.584 120.570 -0.002 0.000 2.394 330 I HA -0.214 3.957 4.170 0.001 0.000 0.251 330 I C 2.328 178.435 176.117 -0.017 0.000 1.136 330 I CA 1.442 62.727 61.300 -0.025 0.000 1.425 330 I CB -0.221 37.756 38.000 -0.040 0.000 1.079 330 I HN 0.213 nan 8.210 nan 0.000 0.425 331 E N -0.473 119.725 120.200 -0.003 0.000 2.072 331 E HA -0.289 4.062 4.350 0.001 0.000 0.191 331 E C 2.051 178.661 176.600 0.016 0.000 0.985 331 E CA 1.133 57.534 56.400 0.001 0.000 0.801 331 E CB -0.134 29.568 29.700 0.003 0.000 0.750 331 E HN 0.429 nan 8.360 nan 0.000 0.452 332 Q N 0.845 120.662 119.800 0.028 0.000 2.084 332 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 332 Q C 1.884 177.934 176.000 0.084 0.000 0.978 332 Q CA 1.790 57.622 55.803 0.048 0.000 0.844 332 Q CB -0.311 28.457 28.738 0.050 0.000 0.898 332 Q HN 0.238 nan 8.270 nan 0.000 0.426 333 A N 0.262 123.135 122.820 0.088 0.000 1.902 333 A HA -0.060 4.261 4.320 0.001 0.000 0.217 333 A C 2.297 179.923 177.584 0.070 0.000 1.181 333 A CA 1.931 54.047 52.037 0.132 0.000 0.623 333 A CB -1.208 17.784 19.000 -0.013 0.000 0.818 333 A HN 0.515 nan 8.150 nan 0.000 0.443 334 A N -1.055 121.769 122.820 0.007 0.000 1.902 334 A HA -0.097 4.224 4.320 0.001 0.000 0.217 334 A C 2.308 179.911 177.584 0.031 0.000 1.181 334 A CA 2.331 54.364 52.037 -0.006 0.000 0.623 334 A CB -1.295 17.691 19.000 -0.023 0.000 0.818 334 A HN 0.430 nan 8.150 nan 0.000 0.443 335 T N -0.014 114.565 114.554 0.041 0.000 2.746 335 T HA -0.115 4.236 4.350 0.001 0.000 0.267 335 T C 1.825 176.565 174.700 0.067 0.000 1.039 335 T CA 1.479 63.605 62.100 0.044 0.000 1.142 335 T CB -0.232 68.658 68.868 0.036 0.000 0.866 335 T HN 0.480 nan 8.240 nan 0.000 0.444 336 E N 1.131 121.393 120.200 0.104 0.000 2.077 336 E HA -0.030 4.321 4.350 0.001 0.000 0.193 336 E C 2.340 179.033 176.600 0.154 0.000 0.989 336 E CA 0.738 57.214 56.400 0.128 0.000 0.800 336 E CB -0.472 29.339 29.700 0.186 0.000 0.746 336 E HN 0.472 nan 8.360 nan 0.000 0.452 337 L N 0.350 121.679 121.223 0.176 0.000 2.046 337 L HA -0.175 4.166 4.340 0.001 0.000 0.208 337 L C 2.711 179.640 176.870 0.099 0.000 1.077 337 L CA 1.266 56.199 54.840 0.156 0.000 0.747 337 L CB -0.349 41.768 42.059 0.097 0.000 0.896 337 L HN 0.044 nan 8.230 nan 0.000 0.432 338 R N -0.547 119.994 120.500 0.068 0.000 2.075 338 R HA -0.083 4.258 4.340 0.001 0.000 0.232 338 R C 2.398 178.727 176.300 0.049 0.000 1.126 338 R CA 0.856 56.986 56.100 0.049 0.000 0.963 338 R CB -0.231 30.089 30.300 0.034 0.000 0.858 338 R HN 0.231 nan 8.270 nan 0.000 0.435 339 R N 0.387 120.916 120.500 0.050 0.000 2.193 339 R HA -0.020 4.321 4.340 0.001 0.000 0.229 339 R C 1.827 178.153 176.300 0.043 0.000 1.110 339 R CA 1.160 57.285 56.100 0.040 0.000 0.988 339 R CB -0.436 29.884 30.300 0.034 0.000 0.871 339 R HN 0.221 nan 8.270 nan 0.000 0.458 340 A N -0.351 122.505 122.820 0.060 0.000 2.208 340 A HA 0.259 4.580 4.320 0.001 0.000 0.209 340 A C 1.361 178.982 177.584 0.062 0.000 1.161 340 A CA 1.030 53.105 52.037 0.062 0.000 0.782 340 A CB 0.056 19.110 19.000 0.089 0.000 0.816 340 A HN 0.403 nan 8.150 nan 0.000 0.477 341 G N -2.653 106.182 108.800 0.057 0.000 2.184 341 G HA2 0.195 4.156 3.960 0.001 0.000 0.206 341 G HA3 0.195 4.156 3.960 0.001 0.000 0.206 341 G C 0.296 175.229 174.900 0.056 0.000 0.995 341 G CA 0.073 45.204 45.100 0.052 0.000 0.651 341 G HN 1.450 nan 8.290 nan 0.000 0.511 342 A N -0.184 122.675 122.820 0.065 0.000 2.293 342 A HA 0.828 5.149 4.320 0.001 0.000 0.302 342 A C 0.271 177.883 177.584 0.046 0.000 1.119 342 A CA -0.195 51.880 52.037 0.063 0.000 0.823 342 A CB 1.551 20.601 19.000 0.082 0.000 1.097 342 A HN 1.061 nan 8.150 nan 0.000 0.491 343 V N 1.898 121.836 119.914 0.040 0.000 2.439 343 V HA 0.396 4.517 4.120 0.001 0.000 0.282 343 V C -0.318 175.785 176.094 0.014 0.000 1.039 343 V CA -0.235 62.081 62.300 0.027 0.000 0.913 343 V CB 1.278 33.118 31.823 0.029 0.000 0.983 343 V HN 0.583 nan 8.190 nan 0.000 0.460 344 V N 6.061 125.975 119.914 -0.001 0.000 2.444 344 V HA 0.586 4.707 4.120 0.001 0.000 0.294 344 V C -0.316 175.750 176.094 -0.046 0.000 1.022 344 V CA -0.563 61.722 62.300 -0.025 0.000 0.850 344 V CB 1.872 33.680 31.823 -0.026 0.000 0.992 344 V HN 0.738 nan 8.190 nan 0.000 0.426 345 V N 3.563 123.429 119.914 -0.080 0.000 2.735 345 V HA 0.779 4.900 4.120 0.001 0.000 0.310 345 V C -2.677 173.325 176.094 -0.153 0.000 1.061 345 V CA -2.606 59.620 62.300 -0.123 0.000 0.913 345 V CB 2.263 33.974 31.823 -0.187 0.000 1.005 345 V HN 0.666 nan 8.190 nan 0.000 0.428 346 P HA 0.412 nan 4.420 nan 0.000 0.276 346 P C -0.571 176.639 177.300 -0.149 0.000 1.235 346 P CA 0.084 63.117 63.100 -0.112 0.000 0.772 346 P CB 1.509 33.166 31.700 -0.073 0.000 0.871 347 V N 0.164 120.011 119.914 -0.112 0.000 3.114 347 V HA 0.600 4.721 4.120 0.001 0.000 0.308 347 V C -0.803 175.277 176.094 -0.023 0.000 1.168 347 V CA -1.107 61.144 62.300 -0.081 0.000 1.015 347 V CB 2.475 34.242 31.823 -0.094 0.000 1.050 347 V HN 0.394 nan 8.190 nan 0.000 0.433 348 E N 1.653 121.861 120.200 0.012 0.000 2.183 348 E HA 0.540 4.891 4.350 0.001 0.000 0.271 348 E C -1.346 175.276 176.600 0.037 0.000 0.919 348 E CA -0.955 55.455 56.400 0.016 0.000 0.781 348 E CB 2.560 32.269 29.700 0.015 0.000 1.140 348 E HN 0.711 nan 8.360 nan 0.000 0.402 349 L N 5.010 126.256 121.223 0.038 0.000 2.369 349 L HA 0.273 4.613 4.340 0.001 0.000 0.279 349 L C -2.474 174.438 176.870 0.070 0.000 1.108 349 L CA -1.489 53.392 54.840 0.068 0.000 0.852 349 L CB 0.196 42.310 42.059 0.091 0.000 1.169 349 L HN 0.285 nan 8.230 nan 0.000 0.452 350 P HA 0.160 nan 4.420 nan 0.000 0.268 350 P C -0.345 177.014 177.300 0.097 0.000 1.205 350 P CA 0.177 63.318 63.100 0.068 0.000 0.771 350 P CB 0.368 32.107 31.700 0.066 0.000 0.858 351 N N -0.591 118.138 118.700 0.049 0.000 2.800 351 N HA -0.195 4.546 4.740 0.001 0.000 0.250 351 N C 0.028 175.482 175.510 -0.093 0.000 1.078 351 N CA 0.687 53.755 53.050 0.030 0.000 0.804 351 N CB -1.343 37.229 38.487 0.142 0.000 1.135 351 N HN 0.587 nan 8.380 nan 0.000 0.565 352 Q N 0.986 120.724 119.800 -0.104 0.000 2.362 352 Q HA 0.251 4.592 4.340 0.001 0.000 0.305 352 Q C 1.337 176.968 176.000 -0.616 0.000 1.120 352 Q CA 1.798 57.444 55.803 -0.260 0.000 1.011 352 Q CB -0.560 28.107 28.738 -0.118 0.000 1.048 352 Q HN 0.478 nan 8.270 nan 0.000 0.386 353 G N 2.804 110.789 108.800 -1.359 0.000 2.189 353 G HA2 -0.367 3.594 3.960 0.001 0.000 0.267 353 G HA3 -0.367 3.594 3.960 0.001 0.000 0.267 353 G C 0.806 175.064 174.900 -1.069 0.000 0.975 353 G CA 0.495 44.819 45.100 -1.293 0.000 0.644 353 G HN 1.289 nan 8.290 nan 0.000 0.537 354 A N -0.111 122.201 122.820 -0.847 0.000 2.121 354 A HA 0.210 4.531 4.320 0.001 0.000 0.218 354 A C 1.856 179.302 177.584 -0.230 0.000 1.154 354 A CA 1.858 53.671 52.037 -0.374 0.000 0.679 354 A CB -0.703 18.201 19.000 -0.161 0.000 0.795 354 A HN 1.515 nan 8.150 nan 0.000 0.458 355 W N -1.819 119.453 121.300 -0.046 0.000 3.256 355 W HA 0.553 5.212 4.660 -0.000 0.000 0.269 355 W C 1.566 178.063 176.519 -0.037 0.000 1.310 355 W CA -0.240 57.077 57.345 -0.047 0.000 1.673 355 W CB -0.760 28.663 29.460 -0.060 0.000 1.115 355 W HN 0.198 nan 8.180 nan 0.000 0.686 356 A N 1.613 124.318 122.820 -0.191 0.000 1.884 356 A HA -0.355 3.966 4.320 0.001 0.000 0.219 356 A C 2.126 179.733 177.584 0.039 0.000 1.197 356 A CA 2.482 54.486 52.037 -0.054 0.000 0.637 356 A CB -1.080 17.822 19.000 -0.162 0.000 0.827 356 A HN 0.538 nan 8.150 nan 0.000 0.450 357 E N -0.513 119.693 120.200 0.009 0.000 2.051 357 E HA -0.094 4.257 4.350 0.001 0.000 0.192 357 E C 2.153 178.792 176.600 0.065 0.000 0.991 357 E CA 1.088 57.507 56.400 0.032 0.000 0.799 357 E CB -0.291 29.415 29.700 0.010 0.000 0.748 357 E HN 0.543 nan 8.360 nan 0.000 0.449 358 A N 1.146 124.009 122.820 0.071 0.000 1.933 358 A HA -0.246 4.074 4.320 0.001 0.000 0.218 358 A C 2.084 179.720 177.584 0.086 0.000 1.175 358 A CA 1.715 53.792 52.037 0.066 0.000 0.628 358 A CB -0.611 18.424 19.000 0.057 0.000 0.814 358 A HN 0.481 nan 8.150 nan 0.000 0.444 359 E N -0.256 120.023 120.200 0.132 0.000 2.077 359 E HA -0.245 4.106 4.350 0.001 0.000 0.193 359 E C 2.277 178.956 176.600 0.131 0.000 0.989 359 E CA 1.185 57.661 56.400 0.127 0.000 0.800 359 E CB -0.195 29.626 29.700 0.201 0.000 0.746 359 E HN 0.594 nan 8.360 nan 0.000 0.452 360 R N -0.128 120.456 120.500 0.140 0.000 2.083 360 R HA -0.141 4.200 4.340 0.001 0.000 0.237 360 R C 2.204 178.623 176.300 0.198 0.000 1.137 360 R CA 2.157 58.353 56.100 0.159 0.000 0.951 360 R CB -0.396 29.972 30.300 0.113 0.000 0.851 360 R HN 0.171 nan 8.270 nan 0.000 0.434 361 T N 2.134 116.798 114.554 0.182 0.000 2.674 361 T HA -0.156 4.195 4.350 0.001 0.000 0.265 361 T C 1.755 176.659 174.700 0.339 0.000 1.039 361 T CA 1.683 63.938 62.100 0.258 0.000 1.150 361 T CB -0.292 68.683 68.868 0.179 0.000 0.864 361 T HN 0.408 nan 8.240 nan 0.000 0.427 362 L N 0.405 121.763 121.223 0.225 0.000 2.083 362 L HA 0.086 4.427 4.340 0.001 0.000 0.209 362 L C 2.176 179.161 176.870 0.191 0.000 1.083 362 L CA 1.571 56.576 54.840 0.275 0.000 0.752 362 L CB -1.195 40.922 42.059 0.096 0.000 0.899 362 L HN 0.161 nan 8.230 nan 0.000 0.433 363 L N -0.702 120.590 121.223 0.115 0.000 2.046 363 L HA -0.160 4.181 4.340 0.001 0.000 0.208 363 L C 2.700 179.613 176.870 0.071 0.000 1.077 363 L CA 1.286 56.108 54.840 -0.030 0.000 0.747 363 L CB -0.594 41.435 42.059 -0.049 0.000 0.896 363 L HN 0.347 nan 8.230 nan 0.000 0.432 364 L N -1.667 119.747 121.223 0.319 0.000 2.017 364 L HA -0.257 4.084 4.340 0.001 0.000 0.208 364 L C 2.616 179.607 176.870 0.202 0.000 1.073 364 L CA 1.529 56.582 54.840 0.355 0.000 0.745 364 L CB -0.660 41.554 42.059 0.258 0.000 0.894 364 L HN 0.135 nan 8.230 nan 0.000 0.432 365 Y N 0.335 120.657 120.300 0.037 0.000 2.145 365 Y HA -0.226 4.325 4.550 0.001 0.000 0.286 365 Y C 2.646 178.427 175.900 -0.198 0.000 1.145 365 Y CA 1.437 59.454 58.100 -0.138 0.000 1.148 365 Y CB -0.282 37.943 38.460 -0.391 0.000 0.981 365 Y HN 0.189 nan 8.280 nan 0.000 0.507 366 E N -1.042 119.129 120.200 -0.049 0.000 2.150 366 E HA -0.193 4.158 4.350 0.001 0.000 0.193 366 E C 1.853 178.415 176.600 -0.062 0.000 0.985 366 E CA 0.932 57.236 56.400 -0.161 0.000 0.814 366 E CB -0.355 29.054 29.700 -0.485 0.000 0.752 366 E HN 0.419 nan 8.360 nan 0.000 0.466 367 F N 2.403 122.242 119.950 -0.184 0.000 2.102 367 F HA -0.164 4.364 4.527 0.002 0.000 0.298 367 F C 2.236 177.973 175.800 -0.104 0.000 1.105 367 F CA 1.601 59.493 58.000 -0.180 0.000 1.239 367 F CB -0.054 38.834 39.000 -0.186 0.000 0.991 367 F HN -0.240 nan 8.300 nan 0.000 0.474 368 K N 0.289 120.596 120.400 -0.156 0.000 2.002 368 K HA -0.154 4.167 4.320 0.001 0.000 0.209 368 K C 2.263 178.721 176.600 -0.237 0.000 1.048 368 K CA 1.348 57.476 56.287 -0.265 0.000 0.930 368 K CB -0.534 31.894 32.500 -0.121 0.000 0.714 368 K HN 0.311 nan 8.250 nan 0.000 0.438 369 A N 0.754 123.501 122.820 -0.122 0.000 1.877 369 A HA -0.092 4.229 4.320 0.001 0.000 0.216 369 A C 2.398 179.948 177.584 -0.057 0.000 1.186 369 A CA 2.043 54.047 52.037 -0.055 0.000 0.620 369 A CB -1.347 17.673 19.000 0.033 0.000 0.822 369 A HN 0.575 nan 8.150 nan 0.000 0.443 370 G N -0.492 108.281 108.800 -0.044 0.000 2.402 370 G HA2 -0.099 3.862 3.960 0.001 0.000 0.216 370 G HA3 -0.099 3.862 3.960 0.001 0.000 0.216 370 G C 1.504 176.309 174.900 -0.159 0.000 1.162 370 G CA 1.150 46.238 45.100 -0.020 0.000 0.777 370 G HN 0.464 nan 8.290 nan 0.000 0.539 371 L N 0.728 121.698 121.223 -0.422 0.000 2.046 371 L HA 0.019 4.359 4.340 0.001 0.000 0.208 371 L C 2.681 179.161 176.870 -0.650 0.000 1.077 371 L CA 2.010 56.435 54.840 -0.692 0.000 0.747 371 L CB -0.525 40.849 42.059 -1.142 0.000 0.896 371 L HN 0.349 nan 8.230 nan 0.000 0.432 372 E N -0.784 119.185 120.200 -0.384 0.000 2.106 372 E HA -0.258 4.093 4.350 0.001 0.000 0.192 372 E C 2.259 178.841 176.600 -0.029 0.000 0.984 372 E CA 1.015 57.333 56.400 -0.136 0.000 0.806 372 E CB -0.197 29.462 29.700 -0.068 0.000 0.750 372 E HN 0.469 nan 8.360 nan 0.000 0.458 373 R N 0.340 120.815 120.500 -0.041 0.000 2.075 373 R HA -0.195 4.146 4.340 0.001 0.000 0.232 373 R C 2.331 178.659 176.300 0.047 0.000 1.126 373 R CA 1.256 57.359 56.100 0.005 0.000 0.963 373 R CB -0.315 29.989 30.300 0.007 0.000 0.858 373 R HN 0.199 nan 8.270 nan 0.000 0.435 374 Y N 0.391 120.658 120.300 -0.054 0.000 2.145 374 Y HA -0.225 4.326 4.550 0.002 0.000 0.286 374 Y C 1.647 177.674 175.900 0.212 0.000 1.145 374 Y CA 1.633 59.784 58.100 0.084 0.000 1.148 374 Y CB -0.392 38.086 38.460 0.029 0.000 0.981 374 Y HN -0.004 nan 8.280 nan 0.000 0.507 375 F N 0.933 121.022 119.950 0.231 0.000 2.126 375 F HA -0.253 4.275 4.527 0.001 0.000 0.299 375 F C 2.619 178.390 175.800 -0.047 0.000 1.096 375 F CA 1.510 59.548 58.000 0.064 0.000 1.255 375 F CB -1.364 37.646 39.000 0.018 0.000 0.997 375 F HN 0.294 nan 8.300 nan 0.000 0.479 376 N N 0.018 118.808 118.700 0.149 0.000 2.135 376 N HA -0.146 4.595 4.740 0.001 0.000 0.186 376 N C 1.672 177.153 175.510 -0.049 0.000 1.027 376 N CA 1.930 55.002 53.050 0.038 0.000 0.849 376 N CB -0.247 38.252 38.487 0.020 0.000 1.002 376 N HN 0.188 nan 8.380 nan 0.000 0.425 377 T N 0.287 114.756 114.554 -0.142 0.000 2.720 377 T HA -0.104 4.247 4.350 0.001 0.000 0.268 377 T C 1.049 175.485 174.700 -0.439 0.000 1.037 377 T CA 1.119 63.022 62.100 -0.328 0.000 1.144 377 T CB -0.296 68.275 68.868 -0.496 0.000 0.864 377 T HN 0.418 nan 8.240 nan 0.000 0.444 378 H N 0.444 119.449 119.070 -0.109 0.000 2.549 378 H HA 0.326 4.882 4.556 0.001 0.000 0.279 378 H C 0.252 175.659 175.328 0.132 0.000 1.018 378 H CA -0.071 55.968 56.048 -0.015 0.000 1.175 378 H CB 0.180 29.897 29.762 -0.075 0.000 1.485 378 H HN 0.316 nan 8.280 nan 0.000 0.543 379 R N 0.561 121.129 120.500 0.112 0.000 3.188 379 R HA -0.133 4.208 4.340 0.001 0.000 0.247 379 R C 0.094 176.448 176.300 0.090 0.000 0.918 379 R CA 0.339 56.491 56.100 0.087 0.000 0.629 379 R CB -1.660 28.689 30.300 0.083 0.000 1.087 379 R HN 0.316 nan 8.270 nan 0.000 0.462 380 A N 1.757 124.525 122.820 -0.087 0.000 2.313 380 A HA 0.399 4.720 4.320 0.001 0.000 0.261 380 A C -0.544 176.819 177.584 -0.369 0.000 1.090 380 A CA -0.979 50.739 52.037 -0.531 0.000 0.807 380 A CB 0.135 18.620 19.000 -0.859 0.000 1.055 380 A HN 0.217 nan 8.150 nan 0.000 0.492 381 P HA 0.011 nan 4.420 nan 0.000 0.226 381 P C -0.104 177.004 177.300 -0.320 0.000 1.153 381 P CA 0.928 63.882 63.100 -0.243 0.000 0.777 381 P CB 0.002 31.599 31.700 -0.171 0.000 0.794 382 L N -0.123 120.753 121.223 -0.578 0.000 2.309 382 L HA 0.368 4.709 4.340 0.001 0.000 0.282 382 L C 1.666 178.136 176.870 -0.667 0.000 1.036 382 L CA -0.654 53.780 54.840 -0.678 0.000 0.806 382 L CB 1.750 43.163 42.059 -1.075 0.000 1.220 382 L HN -0.275 nan 8.230 nan 0.000 0.429 383 R N 0.467 120.786 120.500 -0.302 0.000 2.344 383 R HA 0.170 4.511 4.340 0.001 0.000 0.209 383 R C 0.036 176.388 176.300 0.086 0.000 0.886 383 R CA 0.111 56.163 56.100 -0.081 0.000 1.040 383 R CB 0.799 31.071 30.300 -0.047 0.000 1.114 383 R HN 0.752 nan 8.270 nan 0.000 0.547 384 S N -1.178 114.569 115.700 0.078 0.000 2.625 384 S HA 0.189 4.659 4.470 0.001 0.000 0.271 384 S C 0.170 174.859 174.600 0.148 0.000 1.161 384 S CA -0.891 57.390 58.200 0.135 0.000 0.820 384 S CB 1.377 64.604 63.200 0.046 0.000 1.137 384 S HN -0.028 nan 8.310 nan 0.000 0.470 385 L N 1.506 122.770 121.223 0.069 0.000 2.141 385 L HA 0.262 4.603 4.340 0.001 0.000 0.209 385 L C 2.560 179.442 176.870 0.019 0.000 1.094 385 L CA 2.473 57.319 54.840 0.011 0.000 0.763 385 L CB -1.503 40.514 42.059 -0.070 0.000 0.908 385 L HN 0.975 nan 8.230 nan 0.000 0.437 386 A N -0.770 122.061 122.820 0.019 0.000 1.933 386 A HA -0.211 4.110 4.320 0.001 0.000 0.218 386 A C 1.968 179.572 177.584 0.033 0.000 1.175 386 A CA 1.833 53.883 52.037 0.021 0.000 0.628 386 A CB -0.721 18.287 19.000 0.014 0.000 0.814 386 A HN 0.523 nan 8.150 nan 0.000 0.444 387 D N -0.429 119.987 120.400 0.026 0.000 2.144 387 D HA -0.127 4.514 4.640 0.001 0.000 0.199 387 D C 1.843 178.180 176.300 0.063 0.000 0.984 387 D CA 1.307 55.323 54.000 0.026 0.000 0.834 387 D CB -0.370 40.408 40.800 -0.036 0.000 0.955 387 D HN 0.386 nan 8.370 nan 0.000 0.465 388 L N 0.931 122.175 121.223 0.035 0.000 2.027 388 L HA -0.066 4.275 4.340 0.001 0.000 0.206 388 L C 2.145 179.091 176.870 0.126 0.000 1.074 388 L CA 1.274 56.145 54.840 0.052 0.000 0.745 388 L CB -0.525 41.502 42.059 -0.054 0.000 0.898 388 L HN -0.047 nan 8.230 nan 0.000 0.433 389 I N -0.244 120.371 120.570 0.075 0.000 2.208 389 I HA -0.307 3.864 4.170 0.001 0.000 0.245 389 I C 2.567 178.747 176.117 0.106 0.000 1.097 389 I CA 1.242 62.589 61.300 0.078 0.000 1.363 389 I CB -0.638 37.388 38.000 0.043 0.000 1.051 389 I HN 0.381 nan 8.210 nan 0.000 0.413 390 A N 0.478 123.362 122.820 0.107 0.000 1.930 390 A HA -0.240 4.081 4.320 0.001 0.000 0.217 390 A C 2.221 179.897 177.584 0.153 0.000 1.175 390 A CA 1.285 53.383 52.037 0.101 0.000 0.627 390 A CB -0.904 18.145 19.000 0.082 0.000 0.815 390 A HN 0.457 nan 8.150 nan 0.000 0.443 391 F N 1.626 121.620 119.950 0.073 0.000 2.102 391 F HA -0.204 4.324 4.527 0.001 0.000 0.298 391 F C 1.998 177.912 175.800 0.191 0.000 1.105 391 F CA 2.077 60.154 58.000 0.127 0.000 1.239 391 F CB -0.250 38.775 39.000 0.041 0.000 0.991 391 F HN 0.205 nan 8.300 nan 0.000 0.474 392 N N 0.497 119.412 118.700 0.359 0.000 2.166 392 N HA -0.182 4.559 4.740 0.001 0.000 0.186 392 N C 1.782 177.349 175.510 0.095 0.000 1.019 392 N CA 1.526 54.724 53.050 0.247 0.000 0.856 392 N CB -0.528 38.105 38.487 0.244 0.000 0.993 392 N HN 0.557 nan 8.380 nan 0.000 0.426 393 Q N 0.225 120.065 119.800 0.068 0.000 2.119 393 Q HA 0.074 4.414 4.340 0.001 0.000 0.201 393 Q C 1.947 177.926 176.000 -0.036 0.000 0.972 393 Q CA 1.318 57.131 55.803 0.016 0.000 0.847 393 Q CB -0.082 28.667 28.738 0.018 0.000 0.903 393 Q HN 0.375 nan 8.270 nan 0.000 0.433 394 A N 0.386 123.168 122.820 -0.064 0.000 2.066 394 A HA -0.116 4.204 4.320 0.001 0.000 0.218 394 A C 0.503 177.848 177.584 -0.399 0.000 1.157 394 A CA 1.050 52.968 52.037 -0.198 0.000 0.670 394 A CB -0.188 18.694 19.000 -0.195 0.000 0.804 394 A HN 0.327 nan 8.150 nan 0.000 0.453 395 H N -0.937 117.956 119.070 -0.295 0.000 2.505 395 H HA 0.214 4.770 4.556 0.001 0.000 0.260 395 H C 1.662 176.929 175.328 -0.101 0.000 1.168 395 H CA 0.217 56.116 56.048 -0.248 0.000 0.945 395 H CB 0.262 29.763 29.762 -0.434 0.000 1.800 395 H HN 0.497 nan 8.280 nan 0.000 0.586 396 S N 0.087 115.784 115.700 -0.006 0.000 2.387 396 S HA -0.295 4.176 4.470 0.001 0.000 0.230 396 S C 2.152 176.762 174.600 0.017 0.000 1.035 396 S CA 1.518 59.723 58.200 0.009 0.000 1.014 396 S CB 0.145 63.335 63.200 -0.016 0.000 0.836 396 S HN 0.289 nan 8.310 nan 0.000 0.466 397 K N 1.417 121.822 120.400 0.009 0.000 2.097 397 K HA -0.066 4.255 4.320 0.001 0.000 0.206 397 K C 2.046 178.683 176.600 0.060 0.000 1.049 397 K CA 1.741 58.039 56.287 0.019 0.000 0.933 397 K CB -0.485 32.018 32.500 0.006 0.000 0.717 397 K HN 0.442 nan 8.250 nan 0.000 0.442 398 Q N -0.341 119.519 119.800 0.100 0.000 2.339 398 Q HA 0.123 4.464 4.340 0.001 0.000 0.205 398 Q C 1.503 177.640 176.000 0.228 0.000 0.925 398 Q CA 0.861 56.759 55.803 0.159 0.000 0.898 398 Q CB 0.471 29.308 28.738 0.164 0.000 1.013 398 Q HN 0.277 nan 8.270 nan 0.000 0.504 399 E N -0.420 119.898 120.200 0.196 0.000 2.244 399 E HA 0.164 4.515 4.350 0.001 0.000 0.196 399 E C 0.584 177.240 176.600 0.093 0.000 0.939 399 E CA 0.480 57.022 56.400 0.237 0.000 0.884 399 E CB 0.682 30.531 29.700 0.250 0.000 0.850 399 E HN 0.271 nan 8.360 nan 0.000 0.481 400 L N 0.362 121.588 121.223 0.005 0.000 3.062 400 L HA 0.357 4.698 4.340 0.001 0.000 0.255 400 L C 1.556 178.349 176.870 -0.128 0.000 1.274 400 L CA -0.156 54.621 54.840 -0.105 0.000 1.047 400 L CB 0.650 42.682 42.059 -0.045 0.000 1.402 400 L HN 0.025 nan 8.230 nan 0.000 0.550 401 G N 0.002 108.719 108.800 -0.137 0.000 2.494 401 G HA2 -0.009 3.952 3.960 0.001 0.000 0.216 401 G HA3 -0.009 3.952 3.960 0.001 0.000 0.216 401 G C 1.361 176.158 174.900 -0.171 0.000 1.140 401 G CA 0.264 45.293 45.100 -0.119 0.000 0.801 401 G HN 0.261 nan 8.290 nan 0.000 0.536 402 L N -1.133 119.897 121.223 -0.323 0.000 2.316 402 L HA 0.376 4.717 4.340 0.001 0.000 0.207 402 L C 0.575 177.450 176.870 0.008 0.000 1.070 402 L CA 0.196 54.898 54.840 -0.231 0.000 0.820 402 L CB 0.041 41.834 42.059 -0.444 0.000 0.992 402 L HN 0.343 nan 8.230 nan 0.000 0.466 403 F N -2.779 117.058 119.950 -0.188 0.000 2.779 403 F HA 0.739 5.267 4.527 0.002 0.000 0.316 403 F C 0.168 175.945 175.800 -0.038 0.000 1.164 403 F CA -1.162 56.779 58.000 -0.098 0.000 0.924 403 F CB 0.142 39.090 39.000 -0.087 0.000 1.348 403 F HN -0.189 nan 8.300 nan 0.000 0.467 404 G N -0.243 108.637 108.800 0.133 0.000 2.531 404 G HA2 0.492 4.452 3.960 0.001 0.000 0.253 404 G HA3 0.492 4.452 3.960 0.001 0.000 0.253 404 G C -0.926 174.021 174.900 0.078 0.000 1.439 404 G CA -0.232 44.894 45.100 0.043 0.000 1.056 404 G HN 0.975 nan 8.290 nan 0.000 0.555 405 Q N -1.218 118.616 119.800 0.055 0.000 2.227 405 Q HA 0.322 4.663 4.340 0.001 0.000 0.332 405 Q C 0.214 176.217 176.000 0.005 0.000 0.878 405 Q CA -0.148 55.685 55.803 0.051 0.000 1.120 405 Q CB 0.802 29.569 28.738 0.048 0.000 1.315 405 Q HN 0.471 nan 8.270 nan 0.000 0.414 406 E N 0.986 121.185 120.200 -0.003 0.000 2.160 406 E HA -0.143 4.208 4.350 0.001 0.000 0.195 406 E C 1.423 177.962 176.600 -0.101 0.000 0.991 406 E CA 1.436 57.812 56.400 -0.041 0.000 0.810 406 E CB 0.012 29.689 29.700 -0.037 0.000 0.742 406 E HN 0.470 nan 8.360 nan 0.000 0.466 407 L N 0.067 121.176 121.223 -0.189 0.000 2.109 407 L HA -0.114 4.227 4.340 0.001 0.000 0.207 407 L C 2.219 178.947 176.870 -0.236 0.000 1.086 407 L CA 0.698 55.315 54.840 -0.373 0.000 0.760 407 L CB -0.352 41.222 42.059 -0.809 0.000 0.910 407 L HN 0.182 nan 8.230 nan 0.000 0.437 408 L N -0.990 120.157 121.223 -0.126 0.000 2.046 408 L HA -0.182 4.158 4.340 0.001 0.000 0.208 408 L C 2.565 179.456 176.870 0.035 0.000 1.077 408 L CA 0.889 55.747 54.840 0.031 0.000 0.747 408 L CB -0.661 41.407 42.059 0.015 0.000 0.896 408 L HN 0.070 nan 8.230 nan 0.000 0.432 409 V N 0.161 120.072 119.914 -0.005 0.000 2.295 409 V HA -0.304 3.817 4.120 0.001 0.000 0.246 409 V C 2.501 178.588 176.094 -0.011 0.000 1.049 409 V CA 2.130 64.428 62.300 -0.004 0.000 1.024 409 V CB -0.464 31.353 31.823 -0.009 0.000 0.648 409 V HN 0.509 nan 8.190 nan 0.000 0.447 410 E N 0.216 120.400 120.200 -0.027 0.000 2.072 410 E HA -0.187 4.164 4.350 0.001 0.000 0.191 410 E C 2.200 178.791 176.600 -0.015 0.000 0.985 410 E CA 1.262 57.645 56.400 -0.027 0.000 0.801 410 E CB -0.261 29.415 29.700 -0.040 0.000 0.750 410 E HN 0.552 nan 8.360 nan 0.000 0.452 411 A N 0.907 123.751 122.820 0.039 0.000 1.933 411 A HA -0.218 4.103 4.320 0.001 0.000 0.218 411 A C 1.929 179.519 177.584 0.009 0.000 1.175 411 A CA 1.839 53.936 52.037 0.100 0.000 0.628 411 A CB -0.652 18.586 19.000 0.395 0.000 0.814 411 A HN 0.390 nan 8.150 nan 0.000 0.444 412 D N -0.305 120.105 120.400 0.016 0.000 2.263 412 D HA 0.030 4.671 4.640 0.001 0.000 0.208 412 D C 1.675 177.942 176.300 -0.054 0.000 0.971 412 D CA 1.178 55.166 54.000 -0.021 0.000 0.867 412 D CB -0.108 40.690 40.800 -0.004 0.000 0.929 412 D HN 0.357 nan 8.370 nan 0.000 0.492 413 A N -0.319 122.463 122.820 -0.064 0.000 2.251 413 A HA 0.145 4.465 4.320 0.001 0.000 0.209 413 A C 1.013 178.517 177.584 -0.133 0.000 1.187 413 A CA 0.495 52.488 52.037 -0.073 0.000 0.823 413 A CB -0.722 18.250 19.000 -0.047 0.000 0.846 413 A HN 0.322 nan 8.150 nan 0.000 0.486 414 T N -2.876 111.532 114.554 -0.243 0.000 2.919 414 T HA 0.514 4.865 4.350 0.001 0.000 0.302 414 T C 1.223 175.745 174.700 -0.297 0.000 1.031 414 T CA -0.080 61.722 62.100 -0.497 0.000 1.127 414 T CB 1.556 69.798 68.868 -1.042 0.000 0.952 414 T HN 0.412 nan 8.240 nan 0.000 0.540 415 A N 3.181 125.902 122.820 -0.164 0.000 1.845 415 A HA 0.532 4.853 4.320 0.001 0.000 0.215 415 A C 1.389 179.000 177.584 0.044 0.000 1.195 415 A CA 1.057 53.103 52.037 0.016 0.000 0.616 415 A CB -1.092 17.985 19.000 0.129 0.000 0.832 415 A HN 1.868 nan 8.150 nan 0.000 0.443 416 G N -3.307 105.590 108.800 0.161 0.000 2.320 416 G HA2 0.330 4.291 3.960 0.001 0.000 0.297 416 G HA3 0.330 4.291 3.960 0.001 0.000 0.297 416 G C -0.003 175.014 174.900 0.195 0.000 1.344 416 G CA -0.332 44.847 45.100 0.131 0.000 0.851 416 G HN 0.335 nan 8.290 nan 0.000 0.567 417 L N 0.432 121.688 121.223 0.054 0.000 2.551 417 L HA 0.133 4.473 4.340 0.001 0.000 0.228 417 L C 2.670 179.664 176.870 0.206 0.000 1.153 417 L CA 1.335 56.174 54.840 -0.002 0.000 0.851 417 L CB -0.237 41.849 42.059 0.045 0.000 0.959 417 L HN 0.683 nan 8.230 nan 0.000 0.451 418 A N -1.557 121.356 122.820 0.154 0.000 2.238 418 A HA -0.037 4.283 4.320 0.001 0.000 0.210 418 A C 0.786 178.450 177.584 0.134 0.000 1.179 418 A CA -0.144 51.974 52.037 0.135 0.000 0.827 418 A CB -0.162 18.892 19.000 0.090 0.000 0.856 418 A HN 0.225 nan 8.150 nan 0.000 0.488 419 D N 0.567 121.066 120.400 0.165 0.000 2.434 419 D HA 0.099 4.740 4.640 0.001 0.000 0.252 419 D C -1.626 174.720 176.300 0.078 0.000 1.185 419 D CA -1.480 52.603 54.000 0.139 0.000 0.886 419 D CB 1.181 42.114 40.800 0.222 0.000 1.148 419 D HN 0.016 nan 8.370 nan 0.000 0.483 420 P HA -0.151 nan 4.420 nan 0.000 0.216 420 P C 0.926 178.208 177.300 -0.031 0.000 1.150 420 P CA 1.639 64.744 63.100 0.009 0.000 0.843 420 P CB 0.190 31.900 31.700 0.017 0.000 0.787 421 A N -1.362 121.447 122.820 -0.019 0.000 1.933 421 A HA -0.237 4.084 4.320 0.001 0.000 0.218 421 A C 2.280 179.776 177.584 -0.147 0.000 1.175 421 A CA 1.585 53.594 52.037 -0.046 0.000 0.628 421 A CB -1.843 17.170 19.000 0.020 0.000 0.814 421 A HN 0.215 nan 8.150 nan 0.000 0.444 422 Y N 0.509 120.569 120.300 -0.400 0.000 2.163 422 Y HA -0.123 4.428 4.550 0.001 0.000 0.288 422 Y C 1.927 177.673 175.900 -0.257 0.000 1.136 422 Y CA 1.465 59.220 58.100 -0.576 0.000 1.147 422 Y CB -0.379 37.475 38.460 -1.011 0.000 0.987 422 Y HN 0.243 nan 8.280 nan 0.000 0.509 423 I N 0.434 120.733 120.570 -0.453 0.000 2.208 423 I HA -0.363 3.808 4.170 0.001 0.000 0.245 423 I C 2.542 178.462 176.117 -0.327 0.000 1.097 423 I CA 1.709 62.756 61.300 -0.422 0.000 1.363 423 I CB -0.462 37.455 38.000 -0.138 0.000 1.051 423 I HN 0.234 nan 8.210 nan 0.000 0.413 424 R N 0.736 121.107 120.500 -0.214 0.000 2.081 424 R HA -0.122 4.219 4.340 0.001 0.000 0.235 424 R C 2.491 178.695 176.300 -0.160 0.000 1.131 424 R CA 1.482 57.495 56.100 -0.144 0.000 0.960 424 R CB -0.527 29.721 30.300 -0.086 0.000 0.856 424 R HN 0.372 nan 8.270 nan 0.000 0.436 425 A N 1.470 124.173 122.820 -0.195 0.000 1.883 425 A HA -0.215 4.106 4.320 0.001 0.000 0.217 425 A C 2.192 179.666 177.584 -0.185 0.000 1.186 425 A CA 1.516 53.464 52.037 -0.148 0.000 0.624 425 A CB -0.535 18.398 19.000 -0.113 0.000 0.822 425 A HN 0.252 nan 8.150 nan 0.000 0.444 426 R N -0.559 119.729 120.500 -0.354 0.000 2.091 426 R HA -0.136 4.205 4.340 0.001 0.000 0.238 426 R C 2.518 178.706 176.300 -0.187 0.000 1.136 426 R CA 1.878 57.791 56.100 -0.311 0.000 0.959 426 R CB -0.371 29.618 30.300 -0.518 0.000 0.856 426 R HN 0.511 nan 8.270 nan 0.000 0.437 427 S N 0.242 115.834 115.700 -0.180 0.000 2.355 427 S HA -0.137 4.334 4.470 0.001 0.000 0.222 427 S C 1.352 175.905 174.600 -0.078 0.000 1.031 427 S CA 1.609 59.743 58.200 -0.109 0.000 0.993 427 S CB -0.278 62.865 63.200 -0.095 0.000 0.859 427 S HN 0.388 nan 8.310 nan 0.000 0.453 428 D N 1.479 121.837 120.400 -0.069 0.000 2.097 428 D HA -0.021 4.620 4.640 0.001 0.000 0.195 428 D C 2.270 178.566 176.300 -0.006 0.000 0.989 428 D CA 1.348 55.332 54.000 -0.027 0.000 0.827 428 D CB -0.734 40.058 40.800 -0.014 0.000 0.966 428 D HN 0.488 nan 8.370 nan 0.000 0.456 429 A N 1.139 123.949 122.820 -0.016 0.000 1.883 429 A HA -0.225 4.096 4.320 0.001 0.000 0.217 429 A C 2.207 179.715 177.584 -0.126 0.000 1.186 429 A CA 1.982 54.016 52.037 -0.005 0.000 0.624 429 A CB -0.461 18.523 19.000 -0.026 0.000 0.822 429 A HN 0.053 nan 8.150 nan 0.000 0.444 430 R N 0.135 120.548 120.500 -0.145 0.000 2.081 430 R HA -0.116 4.225 4.340 0.001 0.000 0.235 430 R C 2.304 178.499 176.300 -0.175 0.000 1.131 430 R CA 2.109 58.093 56.100 -0.193 0.000 0.960 430 R CB -0.702 29.518 30.300 -0.133 0.000 0.856 430 R HN 0.605 nan 8.270 nan 0.000 0.436 431 R N -0.177 120.266 120.500 -0.095 0.000 2.066 431 R HA -0.048 4.293 4.340 0.001 0.000 0.232 431 R C 2.235 178.513 176.300 -0.037 0.000 1.131 431 R CA 1.690 57.757 56.100 -0.054 0.000 0.955 431 R CB -0.370 29.916 30.300 -0.023 0.000 0.851 431 R HN 0.289 nan 8.270 nan 0.000 0.432 432 L N 0.152 121.379 121.223 0.007 0.000 2.083 432 L HA -0.094 4.247 4.340 0.001 0.000 0.209 432 L C 2.640 179.564 176.870 0.091 0.000 1.083 432 L CA 1.349 56.257 54.840 0.112 0.000 0.752 432 L CB -0.407 41.804 42.059 0.254 0.000 0.899 432 L HN 0.350 nan 8.230 nan 0.000 0.433 433 A N -0.511 122.185 122.820 -0.207 0.000 1.975 433 A HA 0.141 4.462 4.320 0.001 0.000 0.215 433 A C 2.083 179.390 177.584 -0.461 0.000 1.170 433 A CA 1.148 52.807 52.037 -0.629 0.000 0.656 433 A CB -0.603 17.654 19.000 -1.239 0.000 0.821 433 A HN 0.396 nan 8.150 nan 0.000 0.449 434 G N -0.452 108.097 108.800 -0.417 0.000 2.548 434 G HA2 0.222 4.183 3.960 0.001 0.000 0.221 434 G HA3 0.222 4.183 3.960 0.001 0.000 0.221 434 G C -0.799 174.075 174.900 -0.044 0.000 1.796 434 G CA 0.549 45.400 45.100 -0.415 0.000 0.889 434 G HN 0.268 nan 8.290 nan 0.000 0.599 435 P HA -0.086 nan 4.420 nan 0.000 0.216 435 P C 1.205 178.532 177.300 0.046 0.000 1.157 435 P CA 1.488 64.624 63.100 0.059 0.000 0.880 435 P CB 0.058 31.782 31.700 0.040 0.000 0.791 436 E N -1.839 118.377 120.200 0.028 0.000 2.476 436 E HA 0.185 4.535 4.350 0.001 0.000 0.196 436 E C 1.383 178.022 176.600 0.065 0.000 1.029 436 E CA -0.011 56.416 56.400 0.044 0.000 0.896 436 E CB 0.110 29.835 29.700 0.042 0.000 1.012 436 E HN 0.240 nan 8.360 nan 0.000 0.475 437 G N 0.654 109.485 108.800 0.053 0.000 2.542 437 G HA2 0.075 4.035 3.960 0.001 0.000 0.208 437 G HA3 0.075 4.035 3.960 0.001 0.000 0.208 437 G C 1.147 176.091 174.900 0.074 0.000 1.976 437 G CA -0.305 44.846 45.100 0.084 0.000 0.722 437 G HN 0.012 nan 8.290 nan 0.000 0.798 438 I N 1.591 122.188 120.570 0.045 0.000 2.163 438 I HA -0.163 4.008 4.170 0.001 0.000 0.243 438 I C 2.201 178.395 176.117 0.128 0.000 1.085 438 I CA 1.472 62.832 61.300 0.100 0.000 1.347 438 I CB -0.116 37.977 38.000 0.154 0.000 1.044 438 I HN 0.155 nan 8.210 nan 0.000 0.408 439 D N 0.919 121.413 120.400 0.157 0.000 2.144 439 D HA -0.129 4.512 4.640 0.001 0.000 0.199 439 D C 2.234 178.584 176.300 0.083 0.000 0.984 439 D CA 1.475 55.550 54.000 0.125 0.000 0.834 439 D CB -0.133 40.751 40.800 0.140 0.000 0.955 439 D HN 0.374 nan 8.370 nan 0.000 0.465 440 A N 1.146 124.011 122.820 0.076 0.000 1.898 440 A HA -0.016 4.305 4.320 0.001 0.000 0.216 440 A C 2.328 179.954 177.584 0.068 0.000 1.181 440 A CA 2.016 54.090 52.037 0.061 0.000 0.620 440 A CB -0.568 18.466 19.000 0.057 0.000 0.819 440 A HN 0.235 nan 8.150 nan 0.000 0.442 441 A N -0.224 122.646 122.820 0.084 0.000 1.898 441 A HA 0.015 4.335 4.320 0.001 0.000 0.216 441 A C 2.153 179.803 177.584 0.110 0.000 1.181 441 A CA 1.383 53.481 52.037 0.102 0.000 0.620 441 A CB -0.588 18.467 19.000 0.091 0.000 0.819 441 A HN 0.460 nan 8.150 nan 0.000 0.442 442 L N -0.771 120.505 121.223 0.089 0.000 2.046 442 L HA -0.197 4.144 4.340 0.001 0.000 0.208 442 L C 3.059 179.973 176.870 0.074 0.000 1.077 442 L CA 1.142 56.031 54.840 0.081 0.000 0.747 442 L CB -0.531 41.567 42.059 0.064 0.000 0.896 442 L HN 0.438 nan 8.230 nan 0.000 0.432 443 A N -0.091 122.763 122.820 0.057 0.000 1.929 443 A HA -0.063 4.258 4.320 0.001 0.000 0.216 443 A C 2.533 180.123 177.584 0.010 0.000 1.176 443 A CA 1.352 53.409 52.037 0.034 0.000 0.628 443 A CB -0.603 18.413 19.000 0.027 0.000 0.816 443 A HN 0.374 nan 8.150 nan 0.000 0.444 444 A N -1.547 121.277 122.820 0.006 0.000 1.978 444 A HA -0.173 4.148 4.320 0.001 0.000 0.220 444 A C 1.698 179.112 177.584 -0.284 0.000 1.170 444 A CA 1.575 53.550 52.037 -0.105 0.000 0.636 444 A CB -0.559 18.407 19.000 -0.057 0.000 0.810 444 A HN 0.668 nan 8.150 nan 0.000 0.448 445 H N -2.273 116.808 119.070 0.019 0.000 2.767 445 H HA 0.207 4.765 4.556 0.004 0.000 0.260 445 H C -0.189 175.151 175.328 0.020 0.000 1.172 445 H CA 0.317 56.376 56.048 0.018 0.000 1.048 445 H CB 0.101 29.873 29.762 0.016 0.000 1.697 445 H HN 0.692 nan 8.280 nan 0.000 0.606 446 Q N 1.594 121.448 119.800 0.089 0.000 2.447 446 Q HA -0.174 4.167 4.340 0.001 0.000 0.348 446 Q C -1.081 174.966 176.000 0.079 0.000 1.421 446 Q CA 0.043 55.886 55.803 0.066 0.000 0.978 446 Q CB -1.106 27.661 28.738 0.048 0.000 1.191 446 Q HN 0.481 nan 8.270 nan 0.000 0.371 447 L N 0.432 121.706 121.223 0.086 0.000 2.375 447 L HA 0.345 4.685 4.340 0.001 0.000 0.268 447 L C 1.169 178.077 176.870 0.062 0.000 1.058 447 L CA -0.829 54.056 54.840 0.075 0.000 0.803 447 L CB 0.815 42.919 42.059 0.076 0.000 1.212 447 L HN 0.224 nan 8.230 nan 0.000 0.451 448 D N 0.577 121.016 120.400 0.064 0.000 2.338 448 D HA 0.252 4.893 4.640 0.001 0.000 0.208 448 D C 0.236 176.582 176.300 0.076 0.000 0.997 448 D CA 0.591 54.631 54.000 0.066 0.000 0.880 448 D CB 1.193 42.038 40.800 0.075 0.000 0.980 448 D HN 0.562 nan 8.370 nan 0.000 0.509 449 A N 0.164 123.034 122.820 0.083 0.000 2.601 449 A HA 0.610 4.931 4.320 0.001 0.000 0.291 449 A C -1.817 175.799 177.584 0.054 0.000 1.075 449 A CA -0.626 51.469 52.037 0.096 0.000 0.671 449 A CB 0.833 19.941 19.000 0.181 0.000 1.277 449 A HN 0.022 nan 8.150 nan 0.000 0.417 450 L N 0.927 122.173 121.223 0.039 0.000 2.346 450 L HA 0.805 5.145 4.340 0.001 0.000 0.274 450 L C -0.284 176.534 176.870 -0.087 0.000 1.007 450 L CA -1.131 53.702 54.840 -0.013 0.000 0.818 450 L CB 1.808 43.876 42.059 0.016 0.000 1.284 450 L HN 0.825 nan 8.230 nan 0.000 0.424 451 V N -0.189 119.623 119.914 -0.170 0.000 3.040 451 V HA 1.078 5.199 4.120 0.001 0.000 0.312 451 V C -0.552 175.413 176.094 -0.214 0.000 1.115 451 V CA -0.459 61.651 62.300 -0.316 0.000 0.998 451 V CB 1.769 33.249 31.823 -0.571 0.000 1.042 451 V HN 1.023 nan 8.190 nan 0.000 0.433 452 A N 2.735 125.426 122.820 -0.216 0.000 2.522 452 A HA 0.876 5.197 4.320 0.001 0.000 0.291 452 A C -3.442 174.071 177.584 -0.117 0.000 1.039 452 A CA -1.103 50.853 52.037 -0.134 0.000 0.643 452 A CB 0.991 19.948 19.000 -0.072 0.000 1.310 452 A HN 0.712 nan 8.150 nan 0.000 0.436 453 P HA 0.285 nan 4.420 nan 0.000 0.271 453 P C 0.744 178.034 177.300 -0.017 0.000 1.216 453 P CA 0.286 63.343 63.100 -0.070 0.000 0.776 453 P CB 0.731 32.381 31.700 -0.083 0.000 0.881 454 T N -0.463 114.100 114.554 0.016 0.000 2.737 454 T HA -0.025 4.326 4.350 0.001 0.000 0.265 454 T C 0.908 175.723 174.700 0.192 0.000 1.038 454 T CA 1.576 63.743 62.100 0.112 0.000 1.144 454 T CB -0.152 68.764 68.868 0.081 0.000 0.866 454 T HN 0.567 nan 8.240 nan 0.000 0.434 455 T N -1.705 112.908 114.554 0.098 0.000 2.661 455 T HA 0.528 4.879 4.350 0.001 0.000 0.305 455 T C -0.262 174.368 174.700 -0.116 0.000 1.535 455 T CA -0.157 62.031 62.100 0.146 0.000 1.000 455 T CB 0.722 69.793 68.868 0.337 0.000 1.811 455 T HN 0.218 nan 8.240 nan 0.000 0.471 456 G N 0.215 108.915 108.800 -0.167 0.000 2.531 456 G HA2 0.604 4.565 3.960 0.001 0.000 0.253 456 G HA3 0.604 4.565 3.960 0.001 0.000 0.253 456 G C 0.295 175.047 174.900 -0.247 0.000 1.439 456 G CA 0.108 44.569 45.100 -1.066 0.000 1.056 456 G HN 1.324 nan 8.290 nan 0.000 0.555 457 V N -2.509 117.337 119.914 -0.113 0.000 3.109 457 V HA 0.806 4.927 4.120 0.001 0.000 0.317 457 V C 0.781 177.161 176.094 0.477 0.000 1.074 457 V CA -0.685 61.727 62.300 0.187 0.000 1.033 457 V CB 0.843 32.761 31.823 0.159 0.000 1.111 457 V HN 1.259 nan 8.190 nan 0.000 0.458 458 A N 2.079 125.061 122.820 0.269 0.000 2.520 458 A HA 0.455 4.775 4.320 0.001 0.000 0.235 458 A C -0.219 177.586 177.584 0.368 0.000 1.065 458 A CA 0.313 52.420 52.037 0.116 0.000 0.764 458 A CB -0.429 18.556 19.000 -0.025 0.000 1.002 458 A HN 1.460 nan 8.150 nan 0.000 0.502 459 W N 0.514 121.951 121.300 0.230 0.000 2.736 459 W HA 0.679 5.338 4.660 -0.002 0.000 0.355 459 W C -3.136 173.210 176.519 -0.287 0.000 1.102 459 W CA -3.257 54.121 57.345 0.056 0.000 1.164 459 W CB -0.181 29.331 29.460 0.085 0.000 1.422 459 W HN 0.341 nan 8.180 nan 0.000 0.572 460 P HA 0.013 nan 4.420 nan 0.000 0.264 460 P C 0.929 178.178 177.300 -0.084 0.000 1.193 460 P CA 0.322 63.145 63.100 -0.462 0.000 0.763 460 P CB 0.736 32.296 31.700 -0.234 0.000 0.810 461 I N 2.878 123.386 120.570 -0.104 0.000 2.163 461 I HA -0.244 3.927 4.170 0.001 0.000 0.243 461 I C 1.755 177.916 176.117 0.073 0.000 1.085 461 I CA 1.525 62.830 61.300 0.008 0.000 1.347 461 I CB -0.317 37.691 38.000 0.014 0.000 1.044 461 I HN 0.347 nan 8.210 nan 0.000 0.408 462 R N 1.062 121.586 120.500 0.040 0.000 2.526 462 R HA 0.045 4.386 4.340 0.001 0.000 0.223 462 R C 0.001 176.326 176.300 0.042 0.000 1.250 462 R CA 0.205 56.328 56.100 0.038 0.000 1.227 462 R CB -0.298 30.018 30.300 0.027 0.000 1.109 462 R HN 0.493 nan 8.270 nan 0.000 0.499 468 F N 1.218 121.124 119.950 -0.073 0.000 2.546 468 F HA 0.334 4.866 4.527 0.008 0.000 0.388 468 F C -1.671 174.121 175.800 -0.013 0.000 1.051 468 F CA -1.204 56.798 58.000 0.005 0.000 1.130 468 F CB 0.246 39.260 39.000 0.023 0.000 1.044 468 F HN 0.223 nan 8.300 nan 0.000 0.553 469 P HA 0.097 nan 4.420 nan 0.000 0.265 469 P C 0.660 177.993 177.300 0.055 0.000 1.193 469 P CA 0.667 63.809 63.100 0.069 0.000 0.765 469 P CB 0.825 32.556 31.700 0.051 0.000 0.823 470 G N 1.217 110.015 108.800 -0.003 0.000 2.179 470 G HA2 -0.186 3.775 3.960 0.001 0.000 0.220 470 G HA3 -0.186 3.775 3.960 0.001 0.000 0.220 470 G C -0.005 174.870 174.900 -0.042 0.000 0.990 470 G CA -0.477 44.611 45.100 -0.019 0.000 0.646 470 G HN 0.539 nan 8.290 nan 0.000 0.517 471 E N 0.330 120.485 120.200 -0.074 0.000 2.404 471 E HA 0.511 4.862 4.350 0.001 0.000 0.261 471 E C 0.708 177.180 176.600 -0.213 0.000 1.074 471 E CA 0.480 56.785 56.400 -0.159 0.000 0.917 471 E CB 0.875 30.389 29.700 -0.311 0.000 0.965 471 E HN 0.155 nan 8.360 nan 0.000 0.433 472 S N 0.554 116.144 115.700 -0.184 0.000 2.604 472 S HA -0.031 4.440 4.470 0.001 0.000 0.235 472 S C 1.202 175.776 174.600 -0.044 0.000 1.043 472 S CA -0.387 57.767 58.200 -0.077 0.000 0.997 472 S CB 0.101 63.301 63.200 -0.000 0.000 0.956 472 S HN 0.600 nan 8.310 nan 0.000 0.535 473 Y N 1.443 121.787 120.300 0.073 0.000 2.384 473 Y HA 0.062 4.612 4.550 -0.000 0.000 0.289 473 Y C 2.141 178.072 175.900 0.051 0.000 1.152 473 Y CA 0.720 58.853 58.100 0.054 0.000 1.258 473 Y CB -1.015 37.473 38.460 0.047 0.000 0.979 473 Y HN 0.228 nan 8.280 nan 0.000 0.549 474 S N 0.648 116.341 115.700 -0.012 0.000 2.399 474 S HA -0.175 4.296 4.470 0.001 0.000 0.231 474 S C 2.334 176.920 174.600 -0.024 0.000 1.022 474 S CA 1.074 59.356 58.200 0.136 0.000 0.983 474 S CB -0.751 62.592 63.200 0.239 0.000 0.803 474 S HN 0.712 nan 8.310 nan 0.000 0.480 475 A N 1.373 124.176 122.820 -0.029 0.000 1.883 475 A HA 0.115 4.436 4.320 0.001 0.000 0.217 475 A C 2.487 179.832 177.584 -0.398 0.000 1.186 475 A CA 1.970 53.748 52.037 -0.432 0.000 0.624 475 A CB -1.445 17.489 19.000 -0.110 0.000 0.822 475 A HN 0.766 nan 8.150 nan 0.000 0.444 476 A N -0.337 122.396 122.820 -0.146 0.000 1.898 476 A HA 0.200 4.521 4.320 0.001 0.000 0.216 476 A C 2.512 180.010 177.584 -0.144 0.000 1.181 476 A CA 2.039 54.017 52.037 -0.099 0.000 0.620 476 A CB -1.017 18.003 19.000 0.033 0.000 0.819 476 A HN 1.062 nan 8.150 nan 0.000 0.442 477 A N -0.524 122.241 122.820 -0.092 0.000 1.877 477 A HA -0.031 4.290 4.320 0.001 0.000 0.216 477 A C 2.207 179.675 177.584 -0.193 0.000 1.186 477 A CA 1.919 53.905 52.037 -0.085 0.000 0.620 477 A CB -0.933 18.078 19.000 0.017 0.000 0.822 477 A HN 0.421 nan 8.150 nan 0.000 0.443 478 V N -0.432 119.281 119.914 -0.335 0.000 2.548 478 V HA -0.136 3.985 4.120 0.001 0.000 0.249 478 V C 2.879 178.688 176.094 -0.475 0.000 1.055 478 V CA 1.680 63.717 62.300 -0.439 0.000 1.065 478 V CB -0.957 30.404 31.823 -0.770 0.000 0.681 478 V HN 0.597 nan 8.190 nan 0.000 0.462 479 A N -0.403 122.057 122.820 -0.601 0.000 2.119 479 A HA 0.318 4.639 4.320 0.001 0.000 0.216 479 A C 2.034 179.270 177.584 -0.580 0.000 1.152 479 A CA 1.138 52.710 52.037 -0.775 0.000 0.708 479 A CB -0.527 17.692 19.000 -1.300 0.000 0.805 479 A HN 1.239 nan 8.150 nan 0.000 0.460 480 G N -2.386 106.223 108.800 -0.320 0.000 2.147 480 G HA2 -0.244 3.717 3.960 0.001 0.000 0.244 480 G HA3 -0.244 3.717 3.960 0.001 0.000 0.244 480 G C -0.143 174.763 174.900 0.010 0.000 1.005 480 G CA 0.365 45.384 45.100 -0.135 0.000 0.713 480 G HN 0.343 nan 8.290 nan 0.000 0.515 481 Y N 0.408 120.581 120.300 -0.211 0.000 2.403 481 Y HA 0.558 5.108 4.550 0.000 0.000 0.323 481 Y C -1.632 174.171 175.900 -0.162 0.000 1.226 481 Y CA -3.301 54.668 58.100 -0.219 0.000 1.235 481 Y CB 0.978 39.335 38.460 -0.172 0.000 1.248 481 Y HN 0.019 nan 8.280 nan 0.000 0.489 482 P HA 0.163 nan 4.420 nan 0.000 0.275 482 P C -0.876 176.445 177.300 0.036 0.000 1.227 482 P CA -0.165 62.924 63.100 -0.017 0.000 0.781 482 P CB 1.377 33.043 31.700 -0.057 0.000 0.906 483 S N 2.760 118.482 115.700 0.038 0.000 2.564 483 S HA 0.782 5.253 4.470 0.001 0.000 0.274 483 S C -1.123 173.518 174.600 0.068 0.000 1.124 483 S CA -0.883 57.364 58.200 0.077 0.000 0.869 483 S CB 1.694 64.945 63.200 0.086 0.000 1.105 483 S HN 0.526 nan 8.310 nan 0.000 0.472 484 L N 1.513 122.806 121.223 0.118 0.000 2.543 484 L HA 0.630 4.970 4.340 0.001 0.000 0.265 484 L C -1.099 175.880 176.870 0.182 0.000 0.945 484 L CA -0.072 54.827 54.840 0.100 0.000 0.869 484 L CB 2.214 44.296 42.059 0.039 0.000 1.294 484 L HN 0.963 nan 8.230 nan 0.000 0.405 485 T N 3.559 118.191 114.554 0.129 0.000 2.824 485 T HA 0.742 5.092 4.350 0.001 0.000 0.280 485 T C -1.076 173.715 174.700 0.151 0.000 0.995 485 T CA -0.312 61.879 62.100 0.152 0.000 1.009 485 T CB 1.222 70.139 68.868 0.082 0.000 0.955 485 T HN 0.315 nan 8.240 nan 0.000 0.452 486 V N 7.318 127.356 119.914 0.208 0.000 2.656 486 V HA 0.452 4.572 4.120 0.001 0.000 0.307 486 V C -2.367 173.853 176.094 0.209 0.000 1.051 486 V CA -2.266 60.166 62.300 0.220 0.000 0.893 486 V CB 1.880 33.908 31.823 0.342 0.000 0.999 486 V HN 0.776 nan 8.190 nan 0.000 0.426 487 P HA 0.139 nan 4.420 nan 0.000 0.264 487 P C 0.293 177.708 177.300 0.191 0.000 1.193 487 P CA 0.296 63.469 63.100 0.121 0.000 0.763 487 P CB 0.273 32.022 31.700 0.081 0.000 0.810 488 M N 1.561 121.248 119.600 0.146 0.000 2.340 488 M HA 0.503 4.984 4.480 0.001 0.000 0.345 488 M C 0.369 176.731 176.300 0.104 0.000 1.008 488 M CA 0.065 55.483 55.300 0.198 0.000 0.987 488 M CB 0.997 33.708 32.600 0.186 0.000 1.598 488 M HN 0.390 nan 8.290 nan 0.000 0.569 489 G N 0.587 109.417 108.800 0.049 0.000 2.320 489 G HA2 0.204 4.165 3.960 0.001 0.000 0.274 489 G HA3 0.204 4.165 3.960 0.001 0.000 0.274 489 G C -2.216 172.674 174.900 -0.017 0.000 1.324 489 G CA -0.856 44.256 45.100 0.020 0.000 0.957 489 G HN 0.397 nan 8.290 nan 0.000 0.481 490 Q N -1.174 118.617 119.800 -0.016 0.000 2.456 490 Q HA 0.697 5.038 4.340 0.001 0.000 0.284 490 Q C -1.224 174.769 176.000 -0.010 0.000 1.061 490 Q CA -0.820 54.961 55.803 -0.037 0.000 0.799 490 Q CB 3.063 31.772 28.738 -0.048 0.000 1.445 490 Q HN 0.534 nan 8.270 nan 0.000 0.411 491 I N 1.769 122.336 120.570 -0.005 0.000 2.439 491 I HA 0.203 4.373 4.170 0.001 0.000 0.285 491 I C -0.825 175.301 176.117 0.015 0.000 1.021 491 I CA -0.387 60.925 61.300 0.021 0.000 1.091 491 I CB 1.671 39.709 38.000 0.063 0.000 1.242 491 I HN 0.664 nan 8.210 nan 0.000 0.439 492 D N 5.241 125.645 120.400 0.008 0.000 2.772 492 D HA -0.199 4.442 4.640 0.001 0.000 0.233 492 D C 1.117 177.411 176.300 -0.011 0.000 1.143 492 D CA 1.529 55.529 54.000 0.001 0.000 0.700 492 D CB -0.859 39.948 40.800 0.011 0.000 1.076 492 D HN 1.172 nan 8.370 nan 0.000 0.430 493 G N -1.119 107.673 108.800 -0.012 0.000 2.179 493 G HA2 -0.321 3.640 3.960 0.001 0.000 0.260 493 G HA3 -0.321 3.640 3.960 0.001 0.000 0.260 493 G C 0.272 175.155 174.900 -0.028 0.000 0.977 493 G CA 0.455 45.550 45.100 -0.008 0.000 0.641 493 G HN 0.472 nan 8.290 nan 0.000 0.533 494 L N 1.110 122.298 121.223 -0.059 0.000 2.307 494 L HA 0.462 4.802 4.340 0.001 0.000 0.284 494 L C -2.132 174.633 176.870 -0.175 0.000 1.023 494 L CA -2.395 52.374 54.840 -0.119 0.000 0.810 494 L CB 1.873 43.910 42.059 -0.036 0.000 1.231 494 L HN -0.165 nan 8.230 nan 0.000 0.423 495 P HA 0.070 nan 4.420 nan 0.000 0.267 495 P C -0.946 176.271 177.300 -0.140 0.000 1.200 495 P CA -0.029 62.898 63.100 -0.289 0.000 0.772 495 P CB 0.867 32.286 31.700 -0.469 0.000 0.855 496 V N 2.434 122.294 119.914 -0.089 0.000 2.789 496 V HA 0.761 4.882 4.120 0.001 0.000 0.311 496 V C 0.503 176.583 176.094 -0.023 0.000 1.073 496 V CA -0.457 61.810 62.300 -0.055 0.000 0.921 496 V CB 2.242 34.035 31.823 -0.050 0.000 1.009 496 V HN 0.721 nan 8.190 nan 0.000 0.426 497 G N 2.053 110.846 108.800 -0.011 0.000 2.511 497 G HA2 0.678 4.639 3.960 0.001 0.000 0.318 497 G HA3 0.678 4.639 3.960 0.001 0.000 0.318 497 G C -1.789 173.113 174.900 0.003 0.000 1.210 497 G CA -0.733 44.381 45.100 0.022 0.000 0.969 497 G HN 0.581 nan 8.290 nan 0.000 0.484 498 L N 0.997 122.227 121.223 0.011 0.000 2.287 498 L HA 0.659 4.999 4.340 0.001 0.000 0.287 498 L C -0.622 176.222 176.870 -0.043 0.000 1.022 498 L CA -0.884 53.892 54.840 -0.107 0.000 0.814 498 L CB 1.383 43.275 42.059 -0.277 0.000 1.217 498 L HN 0.410 nan 8.230 nan 0.000 0.420 499 L N 5.380 126.545 121.223 -0.098 0.000 2.312 499 L HA 0.593 4.933 4.340 0.001 0.000 0.281 499 L C -1.288 175.508 176.870 -0.123 0.000 1.070 499 L CA 0.399 55.243 54.840 0.006 0.000 0.805 499 L CB 0.744 42.831 42.059 0.046 0.000 1.174 499 L HN 0.471 nan 8.230 nan 0.000 0.434 500 F N 5.443 125.390 119.950 -0.006 0.000 2.482 500 F HA 0.646 5.176 4.527 0.004 0.000 0.331 500 F C -0.006 175.805 175.800 0.018 0.000 1.115 500 F CA -0.443 57.555 58.000 -0.003 0.000 0.955 500 F CB 1.774 40.774 39.000 -0.000 0.000 1.136 500 F HN 0.303 nan 8.300 nan 0.000 0.452 501 M N 2.249 121.954 119.600 0.174 0.000 2.457 501 M HA 0.726 5.207 4.480 0.001 0.000 0.300 501 M C -0.110 176.257 176.300 0.112 0.000 1.141 501 M CA -0.558 54.819 55.300 0.128 0.000 0.901 501 M CB 2.628 35.287 32.600 0.099 0.000 1.687 501 M HN 0.761 nan 8.290 nan 0.000 0.449 502 G N 0.354 109.203 108.800 0.081 0.000 2.866 502 G HA2 0.588 4.549 3.960 0.001 0.000 0.289 502 G HA3 0.588 4.549 3.960 0.001 0.000 0.289 502 G C -1.280 173.582 174.900 -0.064 0.000 1.396 502 G CA -0.370 44.747 45.100 0.029 0.000 0.848 502 G HN 0.556 nan 8.290 nan 0.000 0.515 503 T N -0.649 113.788 114.554 -0.196 0.000 2.788 503 T HA 0.527 4.878 4.350 0.001 0.000 0.280 503 T C 1.051 175.288 174.700 -0.773 0.000 0.984 503 T CA 0.546 62.283 62.100 -0.606 0.000 0.972 503 T CB 0.267 68.903 68.868 -0.388 0.000 1.039 503 T HN 1.276 nan 8.240 nan 0.000 0.530 504 A N 0.984 123.040 122.820 -1.274 0.000 2.565 504 A HA 0.242 4.563 4.320 0.001 0.000 0.237 504 A C 0.383 177.645 177.584 -0.536 0.000 1.053 504 A CA 0.648 52.093 52.037 -0.987 0.000 0.755 504 A CB -1.153 17.281 19.000 -0.944 0.000 0.980 504 A HN 1.143 nan 8.150 nan 0.000 0.506 505 W N 0.191 121.411 121.300 -0.133 0.000 3.160 505 W HA -0.285 4.376 4.660 0.002 0.000 0.299 505 W C 1.388 177.860 176.519 -0.078 0.000 1.141 505 W CA 0.591 57.886 57.345 -0.083 0.000 0.612 505 W CB -2.123 27.289 29.460 -0.080 0.000 2.186 505 W HN 1.082 nan 8.180 nan 0.000 1.364 506 S N -1.107 114.607 115.700 0.024 0.000 2.660 506 S HA 0.176 4.646 4.470 0.001 0.000 0.227 506 S C 1.206 175.834 174.600 0.046 0.000 0.948 506 S CA 0.599 58.815 58.200 0.026 0.000 0.948 506 S CB 0.153 63.341 63.200 -0.020 0.000 0.779 506 S HN 0.290 nan 8.310 nan 0.000 0.487 507 E N 2.828 123.068 120.200 0.068 0.000 2.097 507 E HA -0.070 4.281 4.350 0.001 0.000 0.196 507 E C -0.787 175.895 176.600 0.136 0.000 1.000 507 E CA 1.712 58.148 56.400 0.060 0.000 0.804 507 E CB -1.563 28.139 29.700 0.003 0.000 0.740 507 E HN 0.481 nan 8.360 nan 0.000 0.454 508 P HA -0.212 nan 4.420 nan 0.000 0.215 508 P C 1.104 178.494 177.300 0.149 0.000 1.157 508 P CA 1.510 64.756 63.100 0.243 0.000 0.868 508 P CB 0.048 31.819 31.700 0.118 0.000 0.788 509 K N -0.165 120.293 120.400 0.096 0.000 2.057 509 K HA -0.083 4.238 4.320 0.001 0.000 0.206 509 K C 2.035 178.668 176.600 0.054 0.000 1.050 509 K CA 1.058 57.390 56.287 0.075 0.000 0.935 509 K CB -0.577 31.961 32.500 0.063 0.000 0.715 509 K HN 0.069 nan 8.250 nan 0.000 0.439 510 L N 0.876 122.123 121.223 0.039 0.000 2.083 510 L HA -0.181 4.160 4.340 0.001 0.000 0.209 510 L C 2.405 179.221 176.870 -0.090 0.000 1.083 510 L CA 1.063 55.895 54.840 -0.014 0.000 0.752 510 L CB -0.335 41.726 42.059 0.003 0.000 0.899 510 L HN 0.238 nan 8.230 nan 0.000 0.433 511 I N -0.294 120.268 120.570 -0.013 0.000 2.252 511 I HA -0.261 3.910 4.170 0.001 0.000 0.245 511 I C 2.446 178.581 176.117 0.030 0.000 1.102 511 I CA 1.232 62.532 61.300 -0.001 0.000 1.385 511 I CB -0.243 37.797 38.000 0.067 0.000 1.064 511 I HN 0.288 nan 8.210 nan 0.000 0.414 512 E N 0.623 120.858 120.200 0.057 0.000 2.058 512 E HA -0.257 4.093 4.350 0.001 0.000 0.194 512 E C 2.285 178.939 176.600 0.090 0.000 0.997 512 E CA 1.484 57.938 56.400 0.091 0.000 0.801 512 E CB -0.179 29.573 29.700 0.088 0.000 0.746 512 E HN 0.488 nan 8.360 nan 0.000 0.450 513 M N 0.442 120.052 119.600 0.017 0.000 2.099 513 M HA -0.110 4.371 4.480 0.001 0.000 0.262 513 M C 2.556 178.767 176.300 -0.147 0.000 1.067 513 M CA 1.399 56.701 55.300 0.003 0.000 1.124 513 M CB -0.243 32.388 32.600 0.052 0.000 1.353 513 M HN 0.124 nan 8.290 nan 0.000 0.410 514 A N -0.510 122.032 122.820 -0.465 0.000 1.902 514 A HA -0.213 4.108 4.320 0.001 0.000 0.217 514 A C 2.022 179.578 177.584 -0.045 0.000 1.181 514 A CA 1.412 53.106 52.037 -0.571 0.000 0.623 514 A CB -1.043 17.594 19.000 -0.606 0.000 0.818 514 A HN 0.569 nan 8.150 nan 0.000 0.443 515 Y N 0.632 120.882 120.300 -0.084 0.000 2.145 515 Y HA -0.066 4.486 4.550 0.004 0.000 0.286 515 Y C 2.646 178.556 175.900 0.016 0.000 1.145 515 Y CA 1.193 59.285 58.100 -0.013 0.000 1.148 515 Y CB -0.556 37.901 38.460 -0.004 0.000 0.981 515 Y HN 0.301 nan 8.280 nan 0.000 0.507 516 A N -0.530 122.330 122.820 0.066 0.000 1.933 516 A HA -0.259 4.062 4.320 0.001 0.000 0.218 516 A C 2.155 179.730 177.584 -0.014 0.000 1.175 516 A CA 1.814 53.854 52.037 0.004 0.000 0.628 516 A CB -1.571 17.492 19.000 0.105 0.000 0.814 516 A HN 0.734 nan 8.150 nan 0.000 0.444 517 Y N 0.457 120.750 120.300 -0.011 0.000 2.163 517 Y HA -0.163 4.384 4.550 -0.005 0.000 0.288 517 Y C 2.315 178.206 175.900 -0.014 0.000 1.136 517 Y CA 2.111 60.239 58.100 0.048 0.000 1.147 517 Y CB -0.390 38.194 38.460 0.207 0.000 0.987 517 Y HN 0.494 nan 8.280 nan 0.000 0.509 518 E N -0.440 119.647 120.200 -0.190 0.000 2.085 518 E HA -0.258 4.092 4.350 0.001 0.000 0.194 518 E C 1.966 178.364 176.600 -0.337 0.000 0.994 518 E CA 1.472 57.711 56.400 -0.267 0.000 0.801 518 E CB -0.047 29.597 29.700 -0.093 0.000 0.743 518 E HN 0.516 nan 8.360 nan 0.000 0.453 519 Q N -0.008 119.550 119.800 -0.403 0.000 2.291 519 Q HA -0.158 4.183 4.340 0.001 0.000 0.205 519 Q C 2.052 177.905 176.000 -0.245 0.000 0.970 519 Q CA 1.489 57.071 55.803 -0.368 0.000 0.876 519 Q CB -0.180 28.250 28.738 -0.513 0.000 0.935 519 Q HN 0.486 nan 8.270 nan 0.000 0.455 520 R N -0.497 119.853 120.500 -0.250 0.000 2.334 520 R HA 0.109 4.450 4.340 0.001 0.000 0.216 520 R C 1.459 177.633 176.300 -0.211 0.000 0.905 520 R CA 1.092 57.081 56.100 -0.184 0.000 1.064 520 R CB 0.057 30.281 30.300 -0.127 0.000 1.046 520 R HN 0.141 nan 8.270 nan 0.000 0.508 521 T N -2.882 111.482 114.554 -0.316 0.000 3.058 521 T HA 0.183 4.534 4.350 0.001 0.000 0.247 521 T C 0.643 175.234 174.700 -0.182 0.000 0.987 521 T CA -0.540 61.388 62.100 -0.288 0.000 1.062 521 T CB 0.126 68.684 68.868 -0.518 0.000 1.048 521 T HN 0.053 nan 8.240 nan 0.000 0.468 522 R N 1.445 121.835 120.500 -0.184 0.000 3.301 522 R HA -0.143 4.197 4.340 0.001 0.000 0.249 522 R C 1.150 177.421 176.300 -0.048 0.000 0.964 522 R CA 0.655 56.698 56.100 -0.094 0.000 0.653 522 R CB -2.362 27.896 30.300 -0.071 0.000 1.043 522 R HN 0.732 nan 8.270 nan 0.000 0.454 523 A N 0.442 123.237 122.820 -0.042 0.000 2.066 523 A HA -0.091 4.230 4.320 0.001 0.000 0.218 523 A C 1.329 178.930 177.584 0.028 0.000 1.157 523 A CA 0.686 52.724 52.037 0.002 0.000 0.670 523 A CB -0.053 18.965 19.000 0.031 0.000 0.804 523 A HN 0.452 nan 8.150 nan 0.000 0.453 524 R N 0.732 121.256 120.500 0.039 0.000 2.585 524 R HA 0.106 4.447 4.340 0.001 0.000 0.275 524 R C -0.828 175.518 176.300 0.077 0.000 1.018 524 R CA 0.261 56.399 56.100 0.063 0.000 1.072 524 R CB 0.260 30.607 30.300 0.079 0.000 0.953 524 R HN 0.162 nan 8.270 nan 0.000 0.419 525 R N 5.240 125.809 120.500 0.115 0.000 2.532 525 R HA 0.391 4.732 4.340 0.001 0.000 0.297 525 R C -2.439 173.995 176.300 0.223 0.000 0.984 525 R CA -2.233 53.949 56.100 0.136 0.000 0.884 525 R CB 1.791 32.164 30.300 0.121 0.000 1.182 525 R HN 0.646 nan 8.270 nan 0.000 0.442 526 P HA 0.174 nan 4.420 nan 0.000 0.272 526 P C -2.408 174.813 177.300 -0.131 0.000 1.230 526 P CA -1.105 62.028 63.100 0.054 0.000 0.788 526 P CB 0.038 31.759 31.700 0.036 0.000 0.949 527 P HA 0.071 nan 4.420 nan 0.000 0.274 527 P C -0.491 176.397 177.300 -0.687 0.000 1.231 527 P CA 0.248 62.717 63.100 -1.052 0.000 0.790 527 P CB 0.512 31.264 31.700 -1.580 0.000 0.951 528 H N 2.817 121.518 119.070 -0.615 0.000 2.504 528 H HA 0.359 4.916 4.556 0.001 0.000 0.322 528 H C -1.011 174.025 175.328 -0.487 0.000 1.055 528 H CA -0.598 55.210 56.048 -0.400 0.000 1.231 528 H CB 0.004 29.659 29.762 -0.179 0.000 1.417 528 H HN 0.194 nan 8.280 nan 0.000 0.472 529 F N 3.338 123.192 119.950 -0.160 0.000 2.397 529 F HA 0.116 4.645 4.527 0.004 0.000 0.331 529 F C 1.714 177.538 175.800 0.039 0.000 1.090 529 F CA -0.742 57.232 58.000 -0.045 0.000 1.065 529 F CB 1.019 39.951 39.000 -0.113 0.000 1.184 529 F HN 0.516 nan 8.300 nan 0.000 0.499 530 D N 0.567 121.129 120.400 0.270 0.000 2.103 530 D HA -0.099 4.541 4.640 0.001 0.000 0.190 530 D C 0.733 177.122 176.300 0.148 0.000 0.997 530 D CA 1.664 55.785 54.000 0.202 0.000 0.833 530 D CB -0.159 40.719 40.800 0.130 0.000 0.961 530 D HN 0.462 nan 8.370 nan 0.000 0.447 531 T N 0.000 114.616 114.554 0.104 0.000 3.816 531 T HA 0.000 4.351 4.350 0.001 0.000 0.228 531 T CA 0.000 62.128 62.100 0.046 0.000 1.349 531 T CB 0.000 68.885 68.868 0.028 0.000 0.612 531 T HN 0.000 nan 8.240 nan 0.000 0.658