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 3lrf_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRRVVVTGMG IVSSIGSNTE EVTASLREAK SGISRAEEYA ELGFRCQVHG DATA SEQUENCE APDIDIESLV DRRAMRFHGR GTAWNHIAMD QAIADAGLTE EEVSNERTGI DATA SEQUENCE IMGSGGPSTR TIVDSADITR EKGPKRVGPF AVPKAMSSTA SATLATFFKI DATA SEQUENCE KGINYSISSA CATSNHCIGN AYEMIQYGKQ DRMFAGGCED LDWTLSVLFD DATA SEQUENCE AMGAMSSKYN DTPSTASRAY DKNRDGFVIA GGAGVLVLED LETALARGAK DATA SEQUENCE IYGEIVGYGA TSDGYDMVAP SGEGAIRCMK MALSTVTSKI DYINPHATST DATA SEQUENCE PAGDAPEIEA IRQIFGAGDV CPPIAATKSL TGHSLGATGV QEAIYSLLMM DATA SEQUENCE QNNFICESAH IEELDPAFAD MPIVRKRIDN VQLNTVLSNS FGFGGTNATL DATA SEQUENCE VFQRYQG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.214 176.300 -0.144 0.000 1.140 1 M CA 0.000 55.182 55.300 -0.197 0.000 0.988 1 M CB 0.000 32.397 32.600 -0.338 0.000 1.302 2 R N 1.215 121.623 120.500 -0.154 0.000 2.615 2 R HA 0.553 4.895 4.340 0.003 0.000 0.270 2 R C -0.332 175.923 176.300 -0.074 0.000 1.081 2 R CA -0.564 55.481 56.100 -0.091 0.000 1.154 2 R CB 0.811 31.065 30.300 -0.077 0.000 1.063 2 R HN 0.560 nan 8.270 nan 0.000 0.519 3 R N 0.414 120.903 120.500 -0.019 0.000 2.500 3 R HA 0.395 4.737 4.340 0.003 0.000 0.275 3 R C -0.679 175.639 176.300 0.031 0.000 1.051 3 R CA -0.523 55.596 56.100 0.031 0.000 1.088 3 R CB 1.125 31.455 30.300 0.050 0.000 1.063 3 R HN 0.238 nan 8.270 nan 0.000 0.511 4 V N 2.704 122.671 119.914 0.089 0.000 2.623 4 V HA 0.366 4.488 4.120 0.003 0.000 0.304 4 V C -0.458 175.662 176.094 0.043 0.000 1.054 4 V CA -0.823 61.529 62.300 0.086 0.000 0.882 4 V CB 1.809 33.778 31.823 0.243 0.000 1.002 4 V HN 0.618 nan 8.190 nan 0.000 0.424 5 V N 2.485 122.392 119.914 -0.011 0.000 2.864 5 V HA 0.789 4.911 4.120 0.003 0.000 0.314 5 V C -0.426 175.669 176.094 0.002 0.000 1.073 5 V CA -0.936 61.350 62.300 -0.024 0.000 0.956 5 V CB 2.060 33.804 31.823 -0.132 0.000 1.023 5 V HN 0.470 nan 8.190 nan 0.000 0.435 6 V N 3.164 123.110 119.914 0.054 0.000 2.406 6 V HA 0.393 4.515 4.120 0.003 0.000 0.272 6 V C 1.333 177.501 176.094 0.124 0.000 1.043 6 V CA 0.680 63.023 62.300 0.073 0.000 0.915 6 V CB 0.846 32.726 31.823 0.095 0.000 0.988 6 V HN 1.194 nan 8.190 nan 0.000 0.466 7 T N 0.436 115.043 114.554 0.088 0.000 3.044 7 T HA 0.479 4.831 4.350 0.003 0.000 0.260 7 T C 0.547 175.373 174.700 0.209 0.000 1.019 7 T CA 0.358 62.528 62.100 0.117 0.000 0.921 7 T CB 0.536 69.406 68.868 0.004 0.000 1.053 7 T HN 0.979 nan 8.240 nan 0.000 0.533 8 G N 0.764 109.644 108.800 0.133 0.000 2.667 8 G HA2 0.592 4.554 3.960 0.003 0.000 0.294 8 G HA3 0.592 4.554 3.960 0.003 0.000 0.294 8 G C -1.732 173.079 174.900 -0.147 0.000 1.467 8 G CA -1.033 44.091 45.100 0.040 0.000 0.852 8 G HN 0.263 nan 8.290 nan 0.000 0.521 9 M N 0.192 119.641 119.600 -0.250 0.000 2.484 9 M HA 0.697 5.179 4.480 0.003 0.000 0.289 9 M C -0.169 176.030 176.300 -0.169 0.000 1.206 9 M CA -0.740 54.399 55.300 -0.269 0.000 0.892 9 M CB 2.859 35.182 32.600 -0.461 0.000 1.712 9 M HN 0.913 nan 8.290 nan 0.000 0.462 10 G N 1.560 110.281 108.800 -0.132 0.000 2.706 10 G HA2 0.862 4.824 3.960 0.003 0.000 0.297 10 G HA3 0.862 4.824 3.960 0.003 0.000 0.297 10 G C -2.215 172.627 174.900 -0.098 0.000 1.403 10 G CA -0.541 44.504 45.100 -0.092 0.000 0.954 10 G HN 0.794 nan 8.290 nan 0.000 0.500 11 I N 0.826 121.347 120.570 -0.081 0.000 2.743 11 I HA 0.549 4.721 4.170 0.003 0.000 0.292 11 I C -1.472 174.594 176.117 -0.084 0.000 1.343 11 I CA -0.880 60.365 61.300 -0.091 0.000 1.038 11 I CB 2.313 40.250 38.000 -0.106 0.000 1.311 11 I HN 0.341 nan 8.210 nan 0.000 0.426 12 V N 6.055 125.900 119.914 -0.114 0.000 2.376 12 V HA 0.609 4.730 4.120 0.003 0.000 0.287 12 V C -0.330 175.608 176.094 -0.261 0.000 1.015 12 V CA -0.280 61.897 62.300 -0.206 0.000 0.834 12 V CB 1.434 33.093 31.823 -0.273 0.000 1.001 12 V HN 0.720 nan 8.190 nan 0.000 0.428 13 S N 2.480 118.047 115.700 -0.222 0.000 2.627 13 S HA 0.430 4.902 4.470 0.003 0.000 0.283 13 S C 1.231 175.718 174.600 -0.190 0.000 1.127 13 S CA 0.156 58.263 58.200 -0.156 0.000 0.863 13 S CB 2.185 65.397 63.200 0.021 0.000 1.121 13 S HN 0.953 nan 8.310 nan 0.000 0.479 14 S N 1.907 117.516 115.700 -0.153 0.000 2.469 14 S HA -0.102 4.370 4.470 0.003 0.000 0.238 14 S C 1.399 175.939 174.600 -0.099 0.000 0.998 14 S CA 1.359 59.476 58.200 -0.139 0.000 0.957 14 S CB -0.961 62.182 63.200 -0.095 0.000 0.764 14 S HN 0.869 nan 8.310 nan 0.000 0.514 15 I N -2.544 117.979 120.570 -0.078 0.000 3.941 15 I HA 0.677 4.848 4.170 0.003 0.000 0.335 15 I C 0.570 176.647 176.117 -0.065 0.000 1.402 15 I CA -0.354 60.897 61.300 -0.081 0.000 1.112 15 I CB 0.215 38.138 38.000 -0.128 0.000 1.043 15 I HN 0.292 nan 8.210 nan 0.000 0.395 16 G N 0.001 108.761 108.800 -0.067 0.000 2.376 16 G HA2 0.132 4.094 3.960 0.003 0.000 0.302 16 G HA3 0.132 4.094 3.960 0.003 0.000 0.302 16 G C -0.373 174.482 174.900 -0.075 0.000 1.586 16 G CA -0.325 44.740 45.100 -0.059 0.000 0.907 16 G HN -0.105 nan 8.290 nan 0.000 0.655 17 S N 0.046 115.704 115.700 -0.070 0.000 2.577 17 S HA 0.234 4.706 4.470 0.003 0.000 0.219 17 S C 0.626 175.196 174.600 -0.051 0.000 0.962 17 S CA 0.646 58.800 58.200 -0.077 0.000 0.921 17 S CB -0.384 62.778 63.200 -0.063 0.000 0.789 17 S HN 1.070 nan 8.310 nan 0.000 0.497 18 N N -1.601 117.076 118.700 -0.038 0.000 3.227 18 N HA 0.096 4.838 4.740 0.003 0.000 0.241 18 N C 0.442 175.939 175.510 -0.021 0.000 1.480 18 N CA -0.152 52.882 53.050 -0.028 0.000 0.886 18 N CB -0.009 38.468 38.487 -0.016 0.000 1.406 18 N HN -0.105 nan 8.380 nan 0.000 0.514 19 T N -3.515 111.023 114.554 -0.026 0.000 2.867 19 T HA -0.160 4.192 4.350 0.003 0.000 0.268 19 T C 1.271 175.975 174.700 0.005 0.000 1.057 19 T CA 1.816 63.905 62.100 -0.020 0.000 1.136 19 T CB -0.302 68.534 68.868 -0.053 0.000 0.874 19 T HN 0.655 nan 8.240 nan 0.000 0.466 20 E N 1.879 122.082 120.200 0.005 0.000 2.047 20 E HA -0.142 4.209 4.350 0.003 0.000 0.191 20 E C 2.170 178.773 176.600 0.005 0.000 0.987 20 E CA 1.554 57.961 56.400 0.012 0.000 0.799 20 E CB -0.436 29.269 29.700 0.009 0.000 0.752 20 E HN 0.712 nan 8.360 nan 0.000 0.449 21 E N -0.217 119.980 120.200 -0.005 0.000 2.077 21 E HA -0.139 4.213 4.350 0.003 0.000 0.193 21 E C 2.200 178.791 176.600 -0.015 0.000 0.989 21 E CA 1.325 57.716 56.400 -0.016 0.000 0.800 21 E CB -0.020 29.665 29.700 -0.025 0.000 0.746 21 E HN 0.155 nan 8.360 nan 0.000 0.452 22 V N 1.193 121.107 119.914 0.001 0.000 2.343 22 V HA -0.252 3.869 4.120 0.003 0.000 0.247 22 V C 2.303 178.405 176.094 0.014 0.000 1.051 22 V CA 2.128 64.435 62.300 0.012 0.000 1.036 22 V CB -0.645 31.232 31.823 0.090 0.000 0.654 22 V HN 0.342 nan 8.190 nan 0.000 0.451 23 T N 0.335 114.917 114.554 0.046 0.000 2.746 23 T HA -0.165 4.187 4.350 0.003 0.000 0.267 23 T C 2.058 176.798 174.700 0.066 0.000 1.039 23 T CA 1.611 63.773 62.100 0.103 0.000 1.142 23 T CB -0.429 68.506 68.868 0.111 0.000 0.866 23 T HN 0.574 nan 8.240 nan 0.000 0.444 24 A N 1.333 124.156 122.820 0.005 0.000 1.902 24 A HA -0.100 4.221 4.320 0.003 0.000 0.217 24 A C 2.615 180.162 177.584 -0.063 0.000 1.181 24 A CA 1.974 53.986 52.037 -0.043 0.000 0.623 24 A CB -0.872 18.105 19.000 -0.039 0.000 0.818 24 A HN 0.443 nan 8.150 nan 0.000 0.443 25 S N -0.128 115.539 115.700 -0.055 0.000 2.368 25 S HA -0.091 4.381 4.470 0.003 0.000 0.225 25 S C 1.821 176.368 174.600 -0.089 0.000 1.030 25 S CA 1.440 59.594 58.200 -0.077 0.000 0.999 25 S CB -0.450 62.696 63.200 -0.091 0.000 0.844 25 S HN 0.507 nan 8.310 nan 0.000 0.459 26 L N 0.766 121.954 121.223 -0.059 0.000 2.046 26 L HA -0.069 4.273 4.340 0.003 0.000 0.208 26 L C 2.782 179.662 176.870 0.017 0.000 1.077 26 L CA 1.226 56.066 54.840 0.001 0.000 0.747 26 L CB -0.381 41.748 42.059 0.116 0.000 0.896 26 L HN 0.216 nan 8.230 nan 0.000 0.432 27 R N -0.098 120.325 120.500 -0.128 0.000 2.092 27 R HA -0.121 4.220 4.340 0.003 0.000 0.231 27 R C 1.473 177.591 176.300 -0.303 0.000 1.119 27 R CA 1.096 56.885 56.100 -0.519 0.000 0.970 27 R CB 0.178 30.114 30.300 -0.607 0.000 0.864 27 R HN 0.261 nan 8.270 nan 0.000 0.440 28 E N -0.571 119.518 120.200 -0.185 0.000 2.463 28 E HA 0.122 4.474 4.350 0.003 0.000 0.193 28 E C 0.135 176.673 176.600 -0.104 0.000 1.041 28 E CA 0.449 56.767 56.400 -0.136 0.000 0.879 28 E CB 0.967 30.602 29.700 -0.108 0.000 0.997 28 E HN 0.341 nan 8.360 nan 0.000 0.478 29 A N 1.848 124.603 122.820 -0.109 0.000 2.640 29 A HA -0.277 4.045 4.320 0.003 0.000 0.300 29 A C -0.063 177.474 177.584 -0.078 0.000 1.499 29 A CA 0.927 52.897 52.037 -0.112 0.000 0.759 29 A CB -2.100 16.824 19.000 -0.127 0.000 1.048 29 A HN 0.196 nan 8.150 nan 0.000 0.450 30 K N 1.004 121.364 120.400 -0.067 0.000 2.284 30 K HA 0.382 4.704 4.320 0.003 0.000 0.287 30 K C 0.551 177.139 176.600 -0.020 0.000 1.081 30 K CA 0.291 56.557 56.287 -0.035 0.000 0.910 30 K CB 1.087 33.561 32.500 -0.044 0.000 1.088 30 K HN 0.473 nan 8.250 nan 0.000 0.478 31 S N 1.678 117.403 115.700 0.042 0.000 2.562 31 S HA 0.107 4.578 4.470 0.003 0.000 0.281 31 S C 1.148 175.757 174.600 0.016 0.000 1.333 31 S CA -0.391 57.855 58.200 0.077 0.000 1.052 31 S CB 0.521 63.812 63.200 0.152 0.000 0.884 31 S HN 0.763 nan 8.310 nan 0.000 0.506 32 G N 4.047 112.848 108.800 0.002 0.000 3.189 32 G HA2 0.229 4.191 3.960 0.003 0.000 0.225 32 G HA3 0.229 4.191 3.960 0.003 0.000 0.225 32 G C 0.121 175.017 174.900 -0.007 0.000 1.159 32 G CA -0.226 44.861 45.100 -0.022 0.000 0.763 32 G HN 0.599 nan 8.290 nan 0.000 0.549 33 I N 2.055 122.636 120.570 0.019 0.000 2.385 33 I HA 0.452 4.624 4.170 0.003 0.000 0.294 33 I C 0.344 176.485 176.117 0.040 0.000 0.988 33 I CA -0.978 60.346 61.300 0.041 0.000 1.265 33 I CB 0.838 38.861 38.000 0.037 0.000 1.388 33 I HN 0.106 nan 8.210 nan 0.000 0.480 34 S N 5.862 121.620 115.700 0.097 0.000 2.661 34 S HA 0.647 5.119 4.470 0.003 0.000 0.285 34 S C -0.425 174.212 174.600 0.061 0.000 1.138 34 S CA -1.079 57.169 58.200 0.079 0.000 0.855 34 S CB 2.203 65.459 63.200 0.092 0.000 1.136 34 S HN 0.616 nan 8.310 nan 0.000 0.484 35 R N 0.369 120.857 120.500 -0.020 0.000 2.537 35 R HA 0.497 4.839 4.340 0.003 0.000 0.280 35 R C -0.188 175.921 176.300 -0.319 0.000 1.058 35 R CA 0.177 56.203 56.100 -0.124 0.000 1.057 35 R CB 0.193 30.439 30.300 -0.089 0.000 0.973 35 R HN 0.844 nan 8.270 nan 0.000 0.438 36 A N 4.909 127.364 122.820 -0.608 0.000 2.582 36 A HA 0.175 4.497 4.320 0.003 0.000 0.336 36 A C 0.489 177.727 177.584 -0.577 0.000 1.445 36 A CA -0.666 50.729 52.037 -1.070 0.000 0.997 36 A CB 0.539 18.393 19.000 -1.910 0.000 1.148 36 A HN 0.953 nan 8.150 nan 0.000 0.514 37 E N 1.144 121.133 120.200 -0.352 0.000 2.118 37 E HA -0.229 4.123 4.350 0.003 0.000 0.195 37 E C 1.564 178.036 176.600 -0.212 0.000 0.992 37 E CA 1.503 57.776 56.400 -0.211 0.000 0.804 37 E CB 0.103 29.725 29.700 -0.130 0.000 0.741 37 E HN 0.953 nan 8.360 nan 0.000 0.458 38 E N -0.184 119.866 120.200 -0.249 0.000 2.110 38 E HA -0.194 4.158 4.350 0.003 0.000 0.193 38 E C 1.710 178.174 176.600 -0.228 0.000 0.988 38 E CA 0.774 57.059 56.400 -0.192 0.000 0.804 38 E CB -0.002 29.633 29.700 -0.108 0.000 0.745 38 E HN 0.220 nan 8.360 nan 0.000 0.458 39 Y N 0.098 120.067 120.300 -0.551 0.000 2.200 39 Y HA -0.072 4.480 4.550 0.002 0.000 0.290 39 Y C 2.381 177.992 175.900 -0.481 0.000 1.137 39 Y CA 0.763 58.278 58.100 -0.975 0.000 1.163 39 Y CB -1.260 36.646 38.460 -0.923 0.000 0.988 39 Y HN 0.148 nan 8.280 nan 0.000 0.518 40 A N 0.270 123.018 122.820 -0.119 0.000 1.902 40 A HA -0.200 4.122 4.320 0.003 0.000 0.217 40 A C 2.156 179.703 177.584 -0.062 0.000 1.181 40 A CA 1.692 53.697 52.037 -0.053 0.000 0.623 40 A CB -0.687 18.276 19.000 -0.061 0.000 0.818 40 A HN 0.497 nan 8.150 nan 0.000 0.443 41 E N -0.295 119.841 120.200 -0.106 0.000 2.118 41 E HA -0.144 4.208 4.350 0.003 0.000 0.195 41 E C 1.601 178.137 176.600 -0.107 0.000 0.992 41 E CA 1.145 57.484 56.400 -0.103 0.000 0.804 41 E CB -0.257 29.368 29.700 -0.125 0.000 0.741 41 E HN 0.617 nan 8.360 nan 0.000 0.458 42 L N -0.596 120.541 121.223 -0.144 0.000 2.554 42 L HA 0.105 4.447 4.340 0.003 0.000 0.226 42 L C 1.272 178.184 176.870 0.069 0.000 1.137 42 L CA 0.376 55.153 54.840 -0.105 0.000 0.863 42 L CB 0.124 42.064 42.059 -0.198 0.000 0.985 42 L HN 0.316 nan 8.230 nan 0.000 0.451 43 G N -0.855 107.999 108.800 0.090 0.000 2.132 43 G HA2 -0.271 3.691 3.960 0.003 0.000 0.234 43 G HA3 -0.271 3.691 3.960 0.003 0.000 0.234 43 G C 0.125 175.161 174.900 0.226 0.000 0.989 43 G CA -0.573 44.597 45.100 0.118 0.000 0.676 43 G HN 0.054 nan 8.290 nan 0.000 0.522 44 F N -0.211 119.729 119.950 -0.016 0.000 2.490 44 F HA 0.543 5.072 4.527 0.003 0.000 0.336 44 F C 2.059 177.861 175.800 0.004 0.000 1.178 44 F CA 0.388 58.381 58.000 -0.011 0.000 1.301 44 F CB 0.151 39.149 39.000 -0.003 0.000 1.175 44 F HN 0.282 nan 8.300 nan 0.000 0.593 45 R N 1.114 121.712 120.500 0.163 0.000 2.057 45 R HA -0.048 4.293 4.340 0.003 0.000 0.229 45 R C 1.056 177.439 176.300 0.137 0.000 1.136 45 R CA 1.333 57.494 56.100 0.102 0.000 0.952 45 R CB -1.268 29.056 30.300 0.040 0.000 0.848 45 R HN 0.737 nan 8.270 nan 0.000 0.430 46 C N 1.451 120.863 119.300 0.188 0.000 2.499 46 C HA 0.468 4.930 4.460 0.003 0.000 0.386 46 C C 0.247 175.419 174.990 0.305 0.000 1.293 46 C CA -0.175 58.965 59.018 0.204 0.000 1.884 46 C CB -0.057 27.791 27.740 0.179 0.000 2.509 46 C HN 0.706 nan 8.230 nan 0.000 0.566 47 Q N 4.509 124.417 119.800 0.179 0.000 2.217 47 Q HA 0.362 4.704 4.340 0.003 0.000 0.340 47 Q C -0.406 175.573 176.000 -0.035 0.000 0.893 47 Q CA -0.209 55.650 55.803 0.093 0.000 1.142 47 Q CB 0.935 29.686 28.738 0.022 0.000 1.288 47 Q HN 0.799 nan 8.270 nan 0.000 0.426 48 V N -2.940 116.997 119.914 0.038 0.000 3.007 48 V HA 0.763 4.885 4.120 0.003 0.000 0.311 48 V C -0.815 175.335 176.094 0.093 0.000 1.120 48 V CA -0.882 61.414 62.300 -0.006 0.000 0.980 48 V CB 1.837 33.699 31.823 0.065 0.000 1.033 48 V HN 0.486 nan 8.190 nan 0.000 0.429 49 H N 0.127 119.198 119.070 0.001 0.000 2.981 49 H HA 0.775 5.333 4.556 0.002 0.000 0.327 49 H C -0.484 174.858 175.328 0.024 0.000 1.342 49 H CA -0.856 55.221 56.048 0.048 0.000 1.123 49 H CB 2.150 31.914 29.762 0.004 0.000 1.851 49 H HN 1.085 nan 8.280 nan 0.000 0.531 50 G N 0.318 109.173 108.800 0.093 0.000 2.716 50 G HA2 0.552 4.514 3.960 0.003 0.000 0.333 50 G HA3 0.552 4.514 3.960 0.003 0.000 0.333 50 G C -0.636 174.145 174.900 -0.197 0.000 1.168 50 G CA -0.198 44.877 45.100 -0.042 0.000 1.064 50 G HN 0.772 nan 8.290 nan 0.000 0.479 51 A N 4.539 127.152 122.820 -0.346 0.000 2.276 51 A HA 0.827 5.149 4.320 0.003 0.000 0.316 51 A C -2.258 175.161 177.584 -0.274 0.000 1.229 51 A CA -1.439 50.375 52.037 -0.371 0.000 0.851 51 A CB 1.065 19.753 19.000 -0.520 0.000 1.165 51 A HN 0.472 nan 8.150 nan 0.000 0.513 52 P HA 0.171 nan 4.420 nan 0.000 0.268 52 P C -0.827 176.352 177.300 -0.202 0.000 1.208 52 P CA 0.284 63.137 63.100 -0.412 0.000 0.777 52 P CB 0.537 31.680 31.700 -0.930 0.000 0.875 53 D N 2.100 122.411 120.400 -0.149 0.000 2.408 53 D HA 0.490 5.132 4.640 0.003 0.000 0.261 53 D C -1.324 174.953 176.300 -0.039 0.000 1.190 53 D CA -0.220 53.746 54.000 -0.057 0.000 0.910 53 D CB -0.360 40.409 40.800 -0.052 0.000 1.097 53 D HN 0.186 nan 8.370 nan 0.000 0.522 54 I N 1.582 122.162 120.570 0.017 0.000 2.775 54 I HA 0.245 4.416 4.170 0.003 0.000 0.295 54 I C -1.564 174.610 176.117 0.096 0.000 1.287 54 I CA -0.760 60.563 61.300 0.038 0.000 1.029 54 I CB 2.215 40.218 38.000 0.006 0.000 1.282 54 I HN 0.018 nan 8.210 nan 0.000 0.426 55 D N 7.478 127.914 120.400 0.059 0.000 2.468 55 D HA 0.273 4.914 4.640 0.003 0.000 0.218 55 D C 1.141 177.466 176.300 0.042 0.000 1.155 55 D CA -0.011 54.017 54.000 0.047 0.000 0.924 55 D CB 0.582 41.396 40.800 0.024 0.000 1.029 55 D HN 0.498 nan 8.370 nan 0.000 0.515 56 I N 2.757 123.359 120.570 0.054 0.000 2.163 56 I HA -0.297 3.874 4.170 0.003 0.000 0.243 56 I C 2.529 178.621 176.117 -0.041 0.000 1.085 56 I CA 1.675 62.980 61.300 0.008 0.000 1.347 56 I CB -0.306 37.670 38.000 -0.040 0.000 1.044 56 I HN 0.478 nan 8.210 nan 0.000 0.408 57 E N 0.601 120.780 120.200 -0.035 0.000 2.265 57 E HA -0.216 4.136 4.350 0.003 0.000 0.196 57 E C 2.133 178.710 176.600 -0.038 0.000 0.996 57 E CA 1.425 57.797 56.400 -0.046 0.000 0.832 57 E CB -0.846 28.834 29.700 -0.034 0.000 0.756 57 E HN 0.700 nan 8.360 nan 0.000 0.491 58 S N -0.998 114.689 115.700 -0.021 0.000 2.522 58 S HA 0.198 4.670 4.470 0.003 0.000 0.227 58 S C 1.772 176.362 174.600 -0.016 0.000 0.986 58 S CA 0.880 59.072 58.200 -0.014 0.000 0.929 58 S CB 0.025 63.224 63.200 -0.002 0.000 0.769 58 S HN 0.471 nan 8.310 nan 0.000 0.529 59 L N 0.405 121.610 121.223 -0.030 0.000 2.717 59 L HA 0.444 4.786 4.340 0.003 0.000 0.239 59 L C -0.677 176.139 176.870 -0.090 0.000 1.086 59 L CA -0.082 54.740 54.840 -0.029 0.000 0.897 59 L CB 1.137 43.194 42.059 -0.004 0.000 1.214 59 L HN 0.132 nan 8.230 nan 0.000 0.508 60 V N 0.707 120.527 119.914 -0.157 0.000 2.525 60 V HA 0.239 4.360 4.120 0.003 0.000 0.299 60 V C -0.966 175.002 176.094 -0.210 0.000 1.034 60 V CA -1.076 61.039 62.300 -0.308 0.000 0.863 60 V CB 1.791 33.337 31.823 -0.460 0.000 0.999 60 V HN 0.173 nan 8.190 nan 0.000 0.423 61 D N 3.640 123.933 120.400 -0.177 0.000 2.377 61 D HA 0.202 4.843 4.640 0.003 0.000 0.245 61 D C 1.112 177.348 176.300 -0.107 0.000 1.196 61 D CA -0.649 53.293 54.000 -0.097 0.000 0.962 61 D CB 0.998 41.775 40.800 -0.039 0.000 1.127 61 D HN 0.289 nan 8.370 nan 0.000 0.471 62 R N -0.241 120.212 120.500 -0.078 0.000 2.081 62 R HA -0.125 4.216 4.340 0.003 0.000 0.235 62 R C 2.033 178.264 176.300 -0.114 0.000 1.131 62 R CA 1.658 57.705 56.100 -0.089 0.000 0.960 62 R CB -0.350 29.910 30.300 -0.066 0.000 0.856 62 R HN 0.442 nan 8.270 nan 0.000 0.436 63 R N 0.234 120.683 120.500 -0.085 0.000 2.092 63 R HA 0.109 4.450 4.340 0.003 0.000 0.231 63 R C 1.889 178.137 176.300 -0.086 0.000 1.119 63 R CA 1.744 57.785 56.100 -0.099 0.000 0.970 63 R CB -0.885 29.392 30.300 -0.038 0.000 0.864 63 R HN 0.298 nan 8.270 nan 0.000 0.440 64 A N 0.193 122.986 122.820 -0.045 0.000 1.978 64 A HA -0.122 4.200 4.320 0.003 0.000 0.220 64 A C 1.913 179.403 177.584 -0.157 0.000 1.170 64 A CA 1.641 53.610 52.037 -0.114 0.000 0.636 64 A CB -0.379 18.376 19.000 -0.408 0.000 0.810 64 A HN 0.295 nan 8.150 nan 0.000 0.448 65 M N -1.004 118.512 119.600 -0.139 0.000 2.595 65 M HA 0.033 4.515 4.480 0.003 0.000 0.248 65 M C 1.895 178.092 176.300 -0.172 0.000 1.119 65 M CA 0.680 55.933 55.300 -0.079 0.000 1.079 65 M CB -1.037 31.505 32.600 -0.097 0.000 1.472 65 M HN 0.631 nan 8.290 nan 0.000 0.501 66 R N 0.176 120.473 120.500 -0.338 0.000 2.103 66 R HA -0.185 4.157 4.340 0.003 0.000 0.242 66 R C 0.763 176.646 176.300 -0.696 0.000 1.142 66 R CA 1.819 57.507 56.100 -0.687 0.000 0.960 66 R CB -0.038 29.600 30.300 -1.103 0.000 0.858 66 R HN 0.215 nan 8.270 nan 0.000 0.439 67 F N -0.491 119.300 119.950 -0.264 0.000 2.654 67 F HA 0.276 4.804 4.527 0.003 0.000 0.303 67 F C 0.026 175.737 175.800 -0.148 0.000 1.099 67 F CA -0.424 57.471 58.000 -0.175 0.000 1.270 67 F CB 0.319 39.210 39.000 -0.181 0.000 1.024 67 F HN -0.051 nan 8.300 nan 0.000 0.548 68 H N 0.012 119.114 119.070 0.053 0.000 2.502 68 H HA 0.461 5.019 4.556 0.003 0.000 0.327 68 H C 0.684 175.992 175.328 -0.033 0.000 1.099 68 H CA -0.374 55.680 56.048 0.010 0.000 1.323 68 H CB 1.283 31.008 29.762 -0.061 0.000 1.450 68 H HN 0.248 nan 8.280 nan 0.000 0.502 69 G N 1.411 110.287 108.800 0.126 0.000 2.616 69 G HA2 0.066 4.028 3.960 0.003 0.000 0.268 69 G HA3 0.066 4.028 3.960 0.003 0.000 0.268 69 G C 1.131 175.942 174.900 -0.149 0.000 1.213 69 G CA -0.466 44.629 45.100 -0.009 0.000 0.926 69 G HN 0.667 nan 8.290 nan 0.000 0.523 70 R N -0.675 119.652 120.500 -0.288 0.000 2.092 70 R HA -0.021 4.321 4.340 0.003 0.000 0.231 70 R C 2.520 178.325 176.300 -0.825 0.000 1.119 70 R CA 1.773 57.504 56.100 -0.615 0.000 0.970 70 R CB -0.698 29.183 30.300 -0.699 0.000 0.864 70 R HN 0.583 nan 8.270 nan 0.000 0.440 71 G N -0.326 108.199 108.800 -0.458 0.000 2.421 71 G HA2 -0.314 3.648 3.960 0.003 0.000 0.216 71 G HA3 -0.314 3.648 3.960 0.003 0.000 0.216 71 G C 1.479 176.351 174.900 -0.046 0.000 1.171 71 G CA 1.331 46.337 45.100 -0.157 0.000 0.775 71 G HN 0.545 nan 8.290 nan 0.000 0.543 72 T N -0.806 113.714 114.554 -0.057 0.000 2.915 72 T HA 0.259 4.610 4.350 0.003 0.000 0.269 72 T C 2.523 177.007 174.700 -0.361 0.000 1.071 72 T CA 1.564 63.660 62.100 -0.007 0.000 1.132 72 T CB -0.243 68.771 68.868 0.243 0.000 0.878 72 T HN 0.336 nan 8.240 nan 0.000 0.479 73 A N 1.244 123.720 122.820 -0.573 0.000 1.877 73 A HA 0.003 4.325 4.320 0.003 0.000 0.216 73 A C 2.234 179.684 177.584 -0.224 0.000 1.186 73 A CA 1.288 52.914 52.037 -0.684 0.000 0.620 73 A CB -1.236 17.457 19.000 -0.513 0.000 0.822 73 A HN 0.660 nan 8.150 nan 0.000 0.443 74 W N 0.330 121.535 121.300 -0.158 0.000 2.342 74 W HA -0.132 4.530 4.660 0.003 0.000 0.297 74 W C 2.194 178.675 176.519 -0.063 0.000 1.213 74 W CA 1.149 58.441 57.345 -0.089 0.000 1.251 74 W CB -1.175 28.250 29.460 -0.058 0.000 1.136 74 W HN 0.439 nan 8.180 nan 0.000 0.526 75 N N -0.597 118.202 118.700 0.164 0.000 2.244 75 N HA -0.184 4.558 4.740 0.003 0.000 0.183 75 N C 1.641 177.202 175.510 0.084 0.000 1.016 75 N CA 1.587 54.697 53.050 0.099 0.000 0.866 75 N CB -0.583 37.956 38.487 0.087 0.000 0.980 75 N HN 0.327 nan 8.380 nan 0.000 0.430 76 H N -0.134 118.910 119.070 -0.043 0.000 2.321 76 H HA 0.029 4.587 4.556 0.003 0.000 0.300 76 H C 2.186 177.546 175.328 0.052 0.000 1.087 76 H CA 1.760 57.830 56.048 0.037 0.000 1.319 76 H CB 0.031 29.719 29.762 -0.124 0.000 1.379 76 H HN 0.153 nan 8.280 nan 0.000 0.501 77 I N 0.373 121.074 120.570 0.218 0.000 2.179 77 I HA -0.276 3.896 4.170 0.003 0.000 0.242 77 I C 2.774 178.946 176.117 0.091 0.000 1.088 77 I CA 1.011 62.402 61.300 0.153 0.000 1.357 77 I CB -0.393 37.674 38.000 0.112 0.000 1.051 77 I HN 0.419 nan 8.210 nan 0.000 0.409 78 A N 0.300 123.153 122.820 0.055 0.000 1.933 78 A HA -0.263 4.059 4.320 0.003 0.000 0.218 78 A C 2.335 179.890 177.584 -0.049 0.000 1.175 78 A CA 1.963 53.998 52.037 -0.004 0.000 0.628 78 A CB -0.615 18.377 19.000 -0.014 0.000 0.814 78 A HN 0.456 nan 8.150 nan 0.000 0.444 79 M N -0.389 119.148 119.600 -0.105 0.000 2.132 79 M HA -0.145 4.337 4.480 0.003 0.000 0.263 79 M C 1.351 177.491 176.300 -0.266 0.000 1.065 79 M CA 2.157 57.265 55.300 -0.320 0.000 1.122 79 M CB -0.252 31.937 32.600 -0.685 0.000 1.365 79 M HN 0.310 nan 8.290 nan 0.000 0.411 80 D N 0.043 120.420 120.400 -0.037 0.000 2.123 80 D HA -0.198 4.443 4.640 0.003 0.000 0.196 80 D C 2.048 178.381 176.300 0.054 0.000 0.992 80 D CA 1.539 55.605 54.000 0.111 0.000 0.833 80 D CB -0.373 40.569 40.800 0.236 0.000 0.954 80 D HN 0.587 nan 8.370 nan 0.000 0.455 81 Q N 0.142 119.960 119.800 0.030 0.000 2.084 81 Q HA -0.082 4.260 4.340 0.003 0.000 0.202 81 Q C 2.202 178.206 176.000 0.006 0.000 0.978 81 Q CA 1.405 57.219 55.803 0.017 0.000 0.844 81 Q CB -0.091 28.645 28.738 -0.004 0.000 0.898 81 Q HN 0.217 nan 8.270 nan 0.000 0.426 82 A N 0.763 123.575 122.820 -0.013 0.000 1.898 82 A HA -0.146 4.176 4.320 0.003 0.000 0.216 82 A C 2.024 179.648 177.584 0.067 0.000 1.181 82 A CA 0.986 53.027 52.037 0.007 0.000 0.620 82 A CB -0.539 18.473 19.000 0.019 0.000 0.819 82 A HN 0.285 nan 8.150 nan 0.000 0.442 83 I N -0.184 120.424 120.570 0.064 0.000 2.226 83 I HA -0.289 3.883 4.170 0.003 0.000 0.245 83 I C 2.968 179.141 176.117 0.095 0.000 1.100 83 I CA 1.099 62.465 61.300 0.110 0.000 1.374 83 I CB -0.293 37.742 38.000 0.058 0.000 1.057 83 I HN 0.356 nan 8.210 nan 0.000 0.413 84 A N 0.271 123.137 122.820 0.076 0.000 1.902 84 A HA -0.290 4.031 4.320 0.003 0.000 0.217 84 A C 2.027 179.653 177.584 0.069 0.000 1.181 84 A CA 2.253 54.334 52.037 0.072 0.000 0.623 84 A CB -0.687 18.353 19.000 0.066 0.000 0.818 84 A HN 0.440 nan 8.150 nan 0.000 0.443 85 D N -0.027 120.413 120.400 0.066 0.000 2.097 85 D HA -0.047 4.595 4.640 0.003 0.000 0.195 85 D C 1.966 178.332 176.300 0.111 0.000 0.989 85 D CA 1.692 55.743 54.000 0.085 0.000 0.827 85 D CB -0.257 40.576 40.800 0.054 0.000 0.966 85 D HN 0.320 nan 8.370 nan 0.000 0.456 86 A N -0.657 122.222 122.820 0.098 0.000 2.066 86 A HA 0.290 4.612 4.320 0.003 0.000 0.218 86 A C 1.904 179.528 177.584 0.067 0.000 1.157 86 A CA 1.466 53.556 52.037 0.088 0.000 0.670 86 A CB -0.694 18.349 19.000 0.072 0.000 0.804 86 A HN 0.581 nan 8.150 nan 0.000 0.453 87 G N -1.131 107.711 108.800 0.070 0.000 2.176 87 G HA2 -0.213 3.748 3.960 0.003 0.000 0.252 87 G HA3 -0.213 3.748 3.960 0.003 0.000 0.252 87 G C 0.022 174.957 174.900 0.058 0.000 1.024 87 G CA 0.283 45.417 45.100 0.057 0.000 0.755 87 G HN 0.466 nan 8.290 nan 0.000 0.507 88 L N 1.368 122.637 121.223 0.076 0.000 2.426 88 L HA 0.412 4.754 4.340 0.003 0.000 0.271 88 L C 1.699 178.618 176.870 0.081 0.000 1.169 88 L CA 0.125 55.015 54.840 0.082 0.000 0.836 88 L CB 0.575 42.712 42.059 0.130 0.000 1.112 88 L HN 0.452 nan 8.230 nan 0.000 0.465 89 T N -1.654 112.940 114.554 0.067 0.000 2.788 89 T HA 0.111 4.462 4.350 0.003 0.000 0.287 89 T C 0.932 175.677 174.700 0.076 0.000 1.007 89 T CA -0.664 61.473 62.100 0.061 0.000 1.005 89 T CB 1.005 69.899 68.868 0.044 0.000 1.012 89 T HN 0.643 nan 8.240 nan 0.000 0.530 90 E N -0.055 120.184 120.200 0.064 0.000 2.110 90 E HA -0.166 4.186 4.350 0.003 0.000 0.193 90 E C 2.059 178.697 176.600 0.063 0.000 0.988 90 E CA 0.821 57.260 56.400 0.065 0.000 0.804 90 E CB -0.015 29.709 29.700 0.039 0.000 0.745 90 E HN 0.643 nan 8.360 nan 0.000 0.458 91 E N 1.143 121.372 120.200 0.049 0.000 2.150 91 E HA -0.181 4.171 4.350 0.003 0.000 0.193 91 E C 1.578 178.211 176.600 0.056 0.000 0.985 91 E CA 0.969 57.394 56.400 0.043 0.000 0.814 91 E CB 0.118 29.835 29.700 0.029 0.000 0.752 91 E HN 0.339 nan 8.360 nan 0.000 0.466 92 E N -0.485 119.754 120.200 0.065 0.000 2.285 92 E HA -0.070 4.282 4.350 0.003 0.000 0.194 92 E C 2.033 178.709 176.600 0.126 0.000 0.997 92 E CA 0.528 56.970 56.400 0.070 0.000 0.845 92 E CB 0.359 30.093 29.700 0.057 0.000 0.782 92 E HN 0.060 nan 8.360 nan 0.000 0.491 93 V N 0.144 120.162 119.914 0.174 0.000 2.407 93 V HA -0.069 4.052 4.120 0.003 0.000 0.245 93 V C 1.221 177.446 176.094 0.219 0.000 1.041 93 V CA 0.968 63.436 62.300 0.280 0.000 1.040 93 V CB 0.442 32.391 31.823 0.211 0.000 0.671 93 V HN 0.012 nan 8.190 nan 0.000 0.455 94 S N 1.698 117.474 115.700 0.127 0.000 2.505 94 S HA 0.549 5.020 4.470 0.003 0.000 0.280 94 S C -0.527 174.109 174.600 0.061 0.000 1.197 94 S CA -0.618 57.633 58.200 0.086 0.000 1.138 94 S CB -0.576 62.655 63.200 0.051 0.000 1.010 94 S HN 0.842 nan 8.310 nan 0.000 0.480 95 N N 1.336 120.073 118.700 0.061 0.000 2.961 95 N HA 0.251 4.993 4.740 0.003 0.000 0.245 95 N C -0.113 175.418 175.510 0.035 0.000 1.404 95 N CA -0.913 52.161 53.050 0.039 0.000 0.880 95 N CB 0.309 38.816 38.487 0.033 0.000 1.461 95 N HN 0.188 nan 8.380 nan 0.000 0.510 96 E N -0.813 119.401 120.200 0.023 0.000 2.338 96 E HA -0.015 4.337 4.350 0.003 0.000 0.197 96 E C 0.505 177.114 176.600 0.015 0.000 1.007 96 E CA 0.600 57.012 56.400 0.020 0.000 0.849 96 E CB 0.069 29.778 29.700 0.015 0.000 0.774 96 E HN 0.321 nan 8.360 nan 0.000 0.506 97 R N 0.341 120.848 120.500 0.012 0.000 2.334 97 R HA 0.133 4.475 4.340 0.003 0.000 0.220 97 R C 0.007 176.301 176.300 -0.009 0.000 0.917 97 R CA 0.316 56.416 56.100 0.000 0.000 1.073 97 R CB 0.467 30.764 30.300 -0.005 0.000 1.056 97 R HN -0.066 nan 8.270 nan 0.000 0.506 98 T N 0.104 114.664 114.554 0.010 0.000 2.841 98 T HA 0.631 4.983 4.350 0.003 0.000 0.285 98 T C 0.045 174.777 174.700 0.052 0.000 0.991 98 T CA -0.550 61.556 62.100 0.011 0.000 0.966 98 T CB 2.362 71.259 68.868 0.048 0.000 0.962 98 T HN 0.254 nan 8.240 nan 0.000 0.438 99 G N 1.430 110.247 108.800 0.027 0.000 3.042 99 G HA2 0.857 4.819 3.960 0.003 0.000 0.278 99 G HA3 0.857 4.819 3.960 0.003 0.000 0.278 99 G C -1.619 173.338 174.900 0.094 0.000 1.371 99 G CA -0.718 44.403 45.100 0.036 0.000 1.009 99 G HN 0.791 nan 8.290 nan 0.000 0.523 100 I N -0.388 120.196 120.570 0.023 0.000 2.610 100 I HA 0.551 4.723 4.170 0.003 0.000 0.289 100 I C -1.521 174.543 176.117 -0.089 0.000 1.163 100 I CA -1.030 60.297 61.300 0.045 0.000 1.044 100 I CB 1.779 39.827 38.000 0.080 0.000 1.251 100 I HN 0.326 nan 8.210 nan 0.000 0.424 101 I N 8.221 128.749 120.570 -0.070 0.000 2.448 101 I HA 0.448 4.620 4.170 0.003 0.000 0.281 101 I C -0.958 175.170 176.117 0.018 0.000 1.027 101 I CA -0.421 60.828 61.300 -0.085 0.000 1.111 101 I CB 1.764 39.690 38.000 -0.124 0.000 1.236 101 I HN 0.508 nan 8.210 nan 0.000 0.452 102 M N 5.440 125.071 119.600 0.051 0.000 2.224 102 M HA 0.714 5.196 4.480 0.003 0.000 0.281 102 M C -0.687 175.666 176.300 0.088 0.000 1.025 102 M CA -0.177 55.161 55.300 0.063 0.000 0.954 102 M CB 1.983 34.614 32.600 0.052 0.000 1.639 102 M HN 0.518 nan 8.290 nan 0.000 0.461 103 G N 1.430 110.284 108.800 0.090 0.000 2.730 103 G HA2 0.874 4.836 3.960 0.003 0.000 0.289 103 G HA3 0.874 4.836 3.960 0.003 0.000 0.289 103 G C -1.707 173.247 174.900 0.090 0.000 1.341 103 G CA -0.567 44.593 45.100 0.101 0.000 0.932 103 G HN 0.893 nan 8.290 nan 0.000 0.481 104 S N -1.698 114.056 115.700 0.090 0.000 2.564 104 S HA 0.610 5.082 4.470 0.003 0.000 0.274 104 S C 0.953 175.602 174.600 0.082 0.000 1.124 104 S CA 0.108 58.358 58.200 0.083 0.000 0.869 104 S CB 1.591 64.841 63.200 0.083 0.000 1.105 104 S HN 1.346 nan 8.310 nan 0.000 0.472 105 G N 0.548 109.392 108.800 0.074 0.000 2.422 105 G HA2 0.431 4.393 3.960 0.003 0.000 0.218 105 G HA3 0.431 4.393 3.960 0.003 0.000 0.218 105 G C 0.598 175.548 174.900 0.083 0.000 1.140 105 G CA 0.401 45.547 45.100 0.077 0.000 0.775 105 G HN 1.242 nan 8.290 nan 0.000 0.545 106 G N -0.960 107.888 108.800 0.079 0.000 2.694 106 G HA2 0.658 4.620 3.960 0.003 0.000 0.290 106 G HA3 0.658 4.620 3.960 0.003 0.000 0.290 106 G C -2.938 171.998 174.900 0.060 0.000 1.386 106 G CA -0.955 44.186 45.100 0.068 0.000 0.872 106 G HN 0.005 nan 8.290 nan 0.000 0.475 107 P HA 0.273 nan 4.420 nan 0.000 0.323 107 P C 0.191 177.509 177.300 0.031 0.000 1.309 107 P CA -0.322 62.804 63.100 0.044 0.000 0.739 107 P CB 0.756 32.479 31.700 0.038 0.000 1.454 108 S N -0.404 115.309 115.700 0.022 0.000 2.686 108 S HA 0.078 4.549 4.470 0.003 0.000 0.324 108 S C 1.384 175.974 174.600 -0.017 0.000 1.172 108 S CA 0.072 58.272 58.200 -0.001 0.000 1.127 108 S CB -1.496 61.704 63.200 0.000 0.000 1.338 108 S HN 0.484 nan 8.310 nan 0.000 0.547 109 T N 3.153 117.688 114.554 -0.031 0.000 2.833 109 T HA -0.155 4.197 4.350 0.003 0.000 0.269 109 T C 1.817 176.450 174.700 -0.111 0.000 1.054 109 T CA 0.917 62.977 62.100 -0.067 0.000 1.135 109 T CB -0.239 68.581 68.868 -0.080 0.000 0.869 109 T HN 0.552 nan 8.240 nan 0.000 0.466 110 R N 1.471 121.904 120.500 -0.111 0.000 2.081 110 R HA -0.039 4.303 4.340 0.003 0.000 0.235 110 R C 2.426 178.685 176.300 -0.069 0.000 1.131 110 R CA 2.074 58.101 56.100 -0.122 0.000 0.960 110 R CB -1.292 28.956 30.300 -0.087 0.000 0.856 110 R HN 0.434 nan 8.270 nan 0.000 0.436 111 T N 0.628 115.159 114.554 -0.038 0.000 2.746 111 T HA -0.061 4.291 4.350 0.003 0.000 0.267 111 T C 1.772 176.465 174.700 -0.012 0.000 1.039 111 T CA 1.606 63.700 62.100 -0.010 0.000 1.142 111 T CB -0.176 68.700 68.868 0.013 0.000 0.866 111 T HN 0.170 nan 8.240 nan 0.000 0.444 112 I N 0.669 121.225 120.570 -0.023 0.000 2.179 112 I HA -0.154 4.018 4.170 0.003 0.000 0.242 112 I C 2.449 178.548 176.117 -0.029 0.000 1.088 112 I CA 0.992 62.279 61.300 -0.021 0.000 1.357 112 I CB -0.397 37.588 38.000 -0.025 0.000 1.051 112 I HN 0.090 nan 8.210 nan 0.000 0.409 113 V N 0.534 120.413 119.914 -0.059 0.000 2.307 113 V HA -0.264 3.858 4.120 0.003 0.000 0.245 113 V C 2.056 178.141 176.094 -0.015 0.000 1.045 113 V CA 1.901 64.168 62.300 -0.057 0.000 1.024 113 V CB -0.652 31.087 31.823 -0.140 0.000 0.651 113 V HN 0.373 nan 8.190 nan 0.000 0.449 114 D N 0.201 120.593 120.400 -0.014 0.000 2.149 114 D HA -0.125 4.517 4.640 0.003 0.000 0.198 114 D C 2.445 178.753 176.300 0.014 0.000 0.990 114 D CA 1.696 55.704 54.000 0.014 0.000 0.839 114 D CB -0.217 40.591 40.800 0.013 0.000 0.948 114 D HN 0.378 nan 8.370 nan 0.000 0.460 115 S N 0.319 116.023 115.700 0.006 0.000 2.368 115 S HA -0.100 4.372 4.470 0.003 0.000 0.224 115 S C 2.096 176.701 174.600 0.007 0.000 1.029 115 S CA 1.022 59.226 58.200 0.006 0.000 0.988 115 S CB -0.164 63.040 63.200 0.007 0.000 0.838 115 S HN 0.368 nan 8.310 nan 0.000 0.462 116 A N 2.068 124.892 122.820 0.007 0.000 1.902 116 A HA -0.151 4.171 4.320 0.003 0.000 0.217 116 A C 1.817 179.412 177.584 0.019 0.000 1.181 116 A CA 1.672 53.716 52.037 0.011 0.000 0.623 116 A CB -0.655 18.351 19.000 0.010 0.000 0.818 116 A HN 0.339 nan 8.150 nan 0.000 0.443 117 D N -0.380 120.036 120.400 0.027 0.000 2.084 117 D HA -0.125 4.517 4.640 0.003 0.000 0.194 117 D C 1.733 178.050 176.300 0.028 0.000 0.990 117 D CA 1.282 55.305 54.000 0.037 0.000 0.826 117 D CB -0.403 40.429 40.800 0.054 0.000 0.971 117 D HN 0.373 nan 8.370 nan 0.000 0.453 118 I N 0.724 121.307 120.570 0.022 0.000 2.394 118 I HA -0.192 3.980 4.170 0.003 0.000 0.251 118 I C 2.004 178.127 176.117 0.009 0.000 1.136 118 I CA 1.214 62.523 61.300 0.015 0.000 1.425 118 I CB -0.299 37.708 38.000 0.010 0.000 1.079 118 I HN -0.096 nan 8.210 nan 0.000 0.425 119 T N 0.488 115.047 114.554 0.008 0.000 2.720 119 T HA -0.201 4.150 4.350 0.003 0.000 0.268 119 T C 2.040 176.744 174.700 0.007 0.000 1.037 119 T CA 1.635 63.738 62.100 0.004 0.000 1.144 119 T CB -0.204 68.667 68.868 0.004 0.000 0.864 119 T HN 0.368 nan 8.240 nan 0.000 0.444 120 R N 0.400 120.907 120.500 0.012 0.000 2.119 120 R HA 0.076 4.418 4.340 0.003 0.000 0.222 120 R C 2.522 178.830 176.300 0.013 0.000 1.088 120 R CA 0.906 57.014 56.100 0.013 0.000 0.984 120 R CB -0.037 30.274 30.300 0.018 0.000 0.884 120 R HN 0.499 nan 8.270 nan 0.000 0.447 121 E N 0.452 120.661 120.200 0.015 0.000 2.102 121 E HA -0.075 4.276 4.350 0.003 0.000 0.190 121 E C 0.985 177.591 176.600 0.009 0.000 0.971 121 E CA 0.796 57.204 56.400 0.015 0.000 0.821 121 E CB 0.488 30.199 29.700 0.019 0.000 0.777 121 E HN -0.019 nan 8.360 nan 0.000 0.460 122 K N -0.664 119.740 120.400 0.007 0.000 2.481 122 K HA 0.260 4.581 4.320 0.003 0.000 0.210 122 K C 0.098 176.697 176.600 -0.002 0.000 1.161 122 K CA 0.653 56.941 56.287 0.002 0.000 1.023 122 K CB 1.923 34.424 32.500 0.001 0.000 0.971 122 K HN 0.225 nan 8.250 nan 0.000 0.577 123 G N 2.310 111.110 108.800 -0.001 0.000 2.587 123 G HA2 -0.131 3.831 3.960 0.003 0.000 0.686 123 G HA3 -0.131 3.831 3.960 0.003 0.000 0.686 123 G C -2.534 172.361 174.900 -0.008 0.000 1.236 123 G CA -0.711 44.386 45.100 -0.004 0.000 0.820 123 G HN -0.236 nan 8.290 nan 0.000 0.645 124 P HA -0.101 nan 4.420 nan 0.000 0.216 124 P C 1.650 178.936 177.300 -0.022 0.000 1.150 124 P CA 1.648 64.740 63.100 -0.012 0.000 0.837 124 P CB 0.073 31.767 31.700 -0.010 0.000 0.786 125 K N -0.025 120.360 120.400 -0.025 0.000 2.211 125 K HA -0.142 4.180 4.320 0.003 0.000 0.204 125 K C 1.740 178.312 176.600 -0.047 0.000 1.047 125 K CA 1.001 57.265 56.287 -0.038 0.000 0.935 125 K CB -0.007 32.473 32.500 -0.034 0.000 0.728 125 K HN -0.140 nan 8.250 nan 0.000 0.452 126 R N 0.344 120.824 120.500 -0.033 0.000 2.323 126 R HA 0.016 4.358 4.340 0.003 0.000 0.198 126 R C 1.845 178.125 176.300 -0.032 0.000 0.988 126 R CA 0.213 56.294 56.100 -0.032 0.000 1.041 126 R CB -0.564 29.725 30.300 -0.018 0.000 0.926 126 R HN 0.091 nan 8.270 nan 0.000 0.476 127 V N 0.257 120.151 119.914 -0.033 0.000 2.594 127 V HA -0.068 4.054 4.120 0.003 0.000 0.253 127 V C 1.249 177.309 176.094 -0.057 0.000 1.069 127 V CA 1.465 63.746 62.300 -0.030 0.000 1.082 127 V CB -1.065 30.745 31.823 -0.022 0.000 0.680 127 V HN 0.625 nan 8.190 nan 0.000 0.469 128 G N 0.428 109.168 108.800 -0.100 0.000 2.781 128 G HA2 -0.141 3.821 3.960 0.003 0.000 0.683 128 G HA3 -0.141 3.821 3.960 0.003 0.000 0.683 128 G C -1.645 173.102 174.900 -0.254 0.000 1.390 128 G CA -0.086 44.896 45.100 -0.198 0.000 0.850 128 G HN 0.268 nan 8.290 nan 0.000 0.557 129 P HA 0.326 nan 4.420 nan 0.000 0.268 129 P C 0.451 177.599 177.300 -0.253 0.000 1.329 129 P CA 0.349 63.195 63.100 -0.424 0.000 0.899 129 P CB 0.085 31.452 31.700 -0.556 0.000 1.378 130 F N -0.531 119.441 119.950 0.036 0.000 2.654 130 F HA 0.453 4.982 4.527 0.003 0.000 0.303 130 F C 2.036 177.926 175.800 0.150 0.000 1.099 130 F CA -0.740 57.301 58.000 0.069 0.000 1.270 130 F CB -0.766 38.079 39.000 -0.258 0.000 1.024 130 F HN -0.083 nan 8.300 nan 0.000 0.548 131 A N -0.249 122.702 122.820 0.218 0.000 2.021 131 A HA 0.045 4.367 4.320 0.003 0.000 0.216 131 A C 2.214 179.887 177.584 0.148 0.000 1.163 131 A CA 1.111 53.239 52.037 0.153 0.000 0.676 131 A CB -0.715 18.330 19.000 0.075 0.000 0.818 131 A HN 0.121 nan 8.150 nan 0.000 0.453 132 V N 0.758 120.763 119.914 0.151 0.000 2.255 132 V HA -0.168 3.953 4.120 0.003 0.000 0.247 132 V C -0.281 175.866 176.094 0.090 0.000 1.051 132 V CA 2.586 64.944 62.300 0.097 0.000 1.018 132 V CB -1.410 30.456 31.823 0.072 0.000 0.641 132 V HN 0.385 nan 8.190 nan 0.000 0.445 133 P HA -0.081 nan 4.420 nan 0.000 0.223 133 P C 1.392 178.750 177.300 0.098 0.000 1.151 133 P CA 1.141 64.274 63.100 0.056 0.000 0.787 133 P CB -0.040 31.636 31.700 -0.041 0.000 0.788 134 K N -0.568 119.915 120.400 0.138 0.000 2.167 134 K HA 0.098 4.420 4.320 0.003 0.000 0.203 134 K C 1.968 178.611 176.600 0.073 0.000 1.052 134 K CA 1.237 57.590 56.287 0.110 0.000 0.956 134 K CB -0.322 32.244 32.500 0.110 0.000 0.735 134 K HN 0.041 nan 8.250 nan 0.000 0.451 135 A N 1.819 124.679 122.820 0.065 0.000 2.132 135 A HA 0.097 4.419 4.320 0.003 0.000 0.213 135 A C 1.191 178.799 177.584 0.039 0.000 1.154 135 A CA -0.098 51.965 52.037 0.043 0.000 0.753 135 A CB -0.324 18.699 19.000 0.038 0.000 0.826 135 A HN 0.290 nan 8.150 nan 0.000 0.469 136 M N -1.709 117.918 119.600 0.044 0.000 2.255 136 M HA 0.407 4.888 4.480 0.003 0.000 0.336 136 M C 0.522 176.848 176.300 0.044 0.000 1.135 136 M CA 0.032 55.355 55.300 0.037 0.000 1.145 136 M CB 0.761 33.380 32.600 0.032 0.000 1.473 136 M HN -0.083 nan 8.290 nan 0.000 0.462 137 S N 0.793 116.518 115.700 0.041 0.000 2.447 137 S HA -0.095 4.376 4.470 0.003 0.000 0.233 137 S C 1.554 176.191 174.600 0.062 0.000 1.006 137 S CA 1.496 59.726 58.200 0.050 0.000 0.957 137 S CB -0.381 62.846 63.200 0.045 0.000 0.773 137 S HN 0.898 nan 8.310 nan 0.000 0.507 138 S N 0.465 116.201 115.700 0.060 0.000 2.671 138 S HA 0.067 4.539 4.470 0.003 0.000 0.220 138 S C 1.468 176.112 174.600 0.072 0.000 0.951 138 S CA 0.538 58.782 58.200 0.073 0.000 0.932 138 S CB -0.343 62.898 63.200 0.069 0.000 0.777 138 S HN 0.382 nan 8.310 nan 0.000 0.508 139 T N 2.252 116.848 114.554 0.071 0.000 2.685 139 T HA -0.210 4.142 4.350 0.003 0.000 0.268 139 T C 1.935 176.698 174.700 0.104 0.000 1.034 139 T CA 1.944 64.092 62.100 0.080 0.000 1.149 139 T CB -0.872 68.048 68.868 0.087 0.000 0.860 139 T HN 0.682 nan 8.240 nan 0.000 0.449 140 A N 0.779 123.663 122.820 0.107 0.000 1.933 140 A HA -0.035 4.287 4.320 0.003 0.000 0.218 140 A C 2.681 180.330 177.584 0.108 0.000 1.175 140 A CA 2.431 54.540 52.037 0.119 0.000 0.628 140 A CB -0.899 18.161 19.000 0.101 0.000 0.814 140 A HN 0.760 nan 8.150 nan 0.000 0.444 141 S N -0.030 115.725 115.700 0.092 0.000 2.377 141 S HA 0.164 4.636 4.470 0.003 0.000 0.223 141 S C 2.155 176.798 174.600 0.072 0.000 1.030 141 S CA 1.084 59.331 58.200 0.079 0.000 0.970 141 S CB -0.688 62.563 63.200 0.084 0.000 0.830 141 S HN 0.824 nan 8.310 nan 0.000 0.473 142 A N 2.617 125.473 122.820 0.061 0.000 1.877 142 A HA -0.076 4.246 4.320 0.003 0.000 0.216 142 A C 2.600 180.195 177.584 0.018 0.000 1.186 142 A CA 2.503 54.555 52.037 0.025 0.000 0.620 142 A CB -1.835 17.163 19.000 -0.003 0.000 0.822 142 A HN 0.775 nan 8.150 nan 0.000 0.443 143 T N -2.144 112.437 114.554 0.045 0.000 2.737 143 T HA -0.078 4.274 4.350 0.003 0.000 0.265 143 T C 1.655 176.439 174.700 0.139 0.000 1.038 143 T CA 1.544 63.664 62.100 0.033 0.000 1.144 143 T CB -0.414 68.469 68.868 0.025 0.000 0.866 143 T HN 0.081 nan 8.240 nan 0.000 0.434 144 L N 1.727 123.067 121.223 0.195 0.000 2.109 144 L HA 0.366 4.708 4.340 0.003 0.000 0.207 144 L C 3.119 180.143 176.870 0.256 0.000 1.086 144 L CA 1.317 56.324 54.840 0.279 0.000 0.760 144 L CB -1.453 40.688 42.059 0.137 0.000 0.910 144 L HN 0.414 nan 8.230 nan 0.000 0.437 145 A N -1.258 121.639 122.820 0.128 0.000 1.908 145 A HA -0.214 4.108 4.320 0.003 0.000 0.218 145 A C 2.379 180.012 177.584 0.081 0.000 1.181 145 A CA 2.396 54.487 52.037 0.091 0.000 0.627 145 A CB -0.967 18.066 19.000 0.055 0.000 0.818 145 A HN 0.423 nan 8.150 nan 0.000 0.445 146 T N -1.241 113.351 114.554 0.063 0.000 2.737 146 T HA -0.072 4.280 4.350 0.003 0.000 0.265 146 T C 1.646 176.351 174.700 0.010 0.000 1.038 146 T CA 1.465 63.575 62.100 0.018 0.000 1.144 146 T CB -0.367 68.488 68.868 -0.021 0.000 0.866 146 T HN 0.458 nan 8.240 nan 0.000 0.434 147 F N 0.818 120.717 119.950 -0.086 0.000 2.186 147 F HA 0.059 4.588 4.527 0.003 0.000 0.299 147 F C 1.258 176.832 175.800 -0.377 0.000 1.090 147 F CA 1.098 58.962 58.000 -0.227 0.000 1.307 147 F CB -0.220 38.606 39.000 -0.291 0.000 1.019 147 F HN 0.099 nan 8.300 nan 0.000 0.489 148 F N 0.871 120.816 119.950 -0.009 0.000 2.773 148 F HA 0.192 4.720 4.527 0.003 0.000 0.304 148 F C 0.816 176.542 175.800 -0.124 0.000 1.129 148 F CA 0.085 58.018 58.000 -0.111 0.000 1.378 148 F CB -0.576 38.321 39.000 -0.171 0.000 1.095 148 F HN -0.175 nan 8.300 nan 0.000 0.565 149 K N 0.552 120.944 120.400 -0.012 0.000 3.125 149 K HA -0.183 4.138 4.320 0.003 0.000 0.268 149 K C -0.440 176.181 176.600 0.035 0.000 1.078 149 K CA -0.035 56.240 56.287 -0.020 0.000 0.775 149 K CB -1.767 30.696 32.500 -0.062 0.000 1.253 149 K HN 0.119 nan 8.250 nan 0.000 0.486 150 I N 1.371 121.979 120.570 0.062 0.000 2.588 150 I HA -0.030 4.142 4.170 0.003 0.000 0.283 150 I C 1.484 177.631 176.117 0.052 0.000 1.119 150 I CA 0.510 61.857 61.300 0.078 0.000 1.419 150 I CB 0.983 39.035 38.000 0.086 0.000 1.394 150 I HN 0.130 nan 8.210 nan 0.000 0.562 151 K N 4.220 124.652 120.400 0.052 0.000 2.391 151 K HA 0.214 4.535 4.320 0.003 0.000 0.197 151 K C 1.020 177.638 176.600 0.031 0.000 1.087 151 K CA 0.115 56.423 56.287 0.034 0.000 1.012 151 K CB 0.688 33.205 32.500 0.029 0.000 0.925 151 K HN 0.739 nan 8.250 nan 0.000 0.547 152 G N 1.846 110.666 108.800 0.034 0.000 2.928 152 G HA2 0.208 4.170 3.960 0.003 0.000 0.163 152 G HA3 0.208 4.170 3.960 0.003 0.000 0.163 152 G C 0.217 175.123 174.900 0.009 0.000 1.573 152 G CA -0.547 44.565 45.100 0.020 0.000 1.084 152 G HN -0.044 nan 8.290 nan 0.000 0.569 153 I N 1.598 122.156 120.570 -0.020 0.000 2.752 153 I HA 0.066 4.237 4.170 0.003 0.000 0.287 153 I C -0.218 175.840 176.117 -0.100 0.000 1.188 153 I CA 0.389 61.643 61.300 -0.077 0.000 1.427 153 I CB 0.639 38.537 38.000 -0.169 0.000 1.365 153 I HN 0.463 nan 8.210 nan 0.000 0.585 154 N N 6.932 125.576 118.700 -0.093 0.000 2.629 154 N HA 0.366 5.107 4.740 0.003 0.000 0.277 154 N C -1.458 174.094 175.510 0.071 0.000 1.188 154 N CA -0.446 52.581 53.050 -0.038 0.000 0.835 154 N CB 0.702 39.207 38.487 0.029 0.000 1.420 154 N HN 0.455 nan 8.380 nan 0.000 0.542 155 Y N -0.891 119.436 120.300 0.045 0.000 2.750 155 Y HA 0.712 5.264 4.550 0.003 0.000 0.335 155 Y C -1.254 174.674 175.900 0.048 0.000 1.252 155 Y CA -1.170 56.954 58.100 0.040 0.000 1.064 155 Y CB 0.368 38.848 38.460 0.034 0.000 1.321 155 Y HN 0.095 nan 8.280 nan 0.000 0.451 156 S N 1.238 117.155 115.700 0.362 0.000 2.501 156 S HA 0.725 5.197 4.470 0.003 0.000 0.301 156 S C -0.781 173.977 174.600 0.263 0.000 1.096 156 S CA -0.680 57.667 58.200 0.246 0.000 1.063 156 S CB 0.908 64.198 63.200 0.151 0.000 1.042 156 S HN 0.531 nan 8.310 nan 0.000 0.494 157 I N 2.763 123.469 120.570 0.228 0.000 2.412 157 I HA 0.411 4.583 4.170 0.003 0.000 0.296 157 I C 0.077 176.277 176.117 0.137 0.000 0.987 157 I CA -0.296 61.106 61.300 0.170 0.000 1.180 157 I CB 1.752 39.871 38.000 0.198 0.000 1.340 157 I HN 0.650 nan 8.210 nan 0.000 0.455 158 S N 2.796 118.559 115.700 0.104 0.000 2.526 158 S HA 0.712 5.184 4.470 0.003 0.000 0.293 158 S C -0.253 174.416 174.600 0.114 0.000 1.092 158 S CA -0.543 57.724 58.200 0.111 0.000 0.980 158 S CB 1.808 65.062 63.200 0.091 0.000 1.048 158 S HN 0.662 nan 8.310 nan 0.000 0.483 159 S N 0.199 115.994 115.700 0.158 0.000 2.589 159 S HA 0.624 5.095 4.470 0.003 0.000 0.210 159 S C 0.614 175.331 174.600 0.196 0.000 0.803 159 S CA -0.152 58.163 58.200 0.191 0.000 1.061 159 S CB -0.651 62.734 63.200 0.308 0.000 1.637 159 S HN 2.288 nan 8.310 nan 0.000 0.462 160 A N 0.890 123.800 122.820 0.149 0.000 5.391 160 A HA -0.355 3.967 4.320 0.003 0.000 0.315 160 A C 1.802 179.446 177.584 0.100 0.000 1.874 160 A CA 1.386 53.493 52.037 0.117 0.000 0.714 160 A CB -2.316 16.776 19.000 0.153 0.000 1.335 160 A HN 1.540 nan 8.150 nan 0.000 0.382 161 C N -0.046 119.320 119.300 0.109 0.000 2.409 161 C HA 0.236 4.697 4.460 0.003 0.000 0.284 161 C C 2.952 178.033 174.990 0.152 0.000 1.354 161 C CA 1.477 60.611 59.018 0.193 0.000 1.787 161 C CB -2.003 25.936 27.740 0.332 0.000 1.900 161 C HN 1.467 nan 8.230 nan 0.000 0.520 162 A N 0.238 123.140 122.820 0.137 0.000 2.251 162 A HA 0.070 4.392 4.320 0.003 0.000 0.209 162 A C 1.977 179.636 177.584 0.125 0.000 1.187 162 A CA 1.231 53.317 52.037 0.081 0.000 0.823 162 A CB -0.705 18.353 19.000 0.097 0.000 0.846 162 A HN 0.504 nan 8.150 nan 0.000 0.486 163 T N 1.276 115.932 114.554 0.170 0.000 2.565 163 T HA -0.244 4.108 4.350 0.003 0.000 0.265 163 T C 2.229 177.016 174.700 0.146 0.000 1.082 163 T CA 2.585 64.794 62.100 0.181 0.000 1.173 163 T CB -0.424 68.520 68.868 0.127 0.000 0.864 163 T HN 0.804 nan 8.240 nan 0.000 0.425 164 S N 0.941 116.689 115.700 0.080 0.000 2.527 164 S HA 0.040 4.512 4.470 0.003 0.000 0.222 164 S C 1.803 176.414 174.600 0.018 0.000 0.985 164 S CA 0.420 58.649 58.200 0.050 0.000 0.921 164 S CB -0.295 62.917 63.200 0.021 0.000 0.772 164 S HN 0.290 nan 8.310 nan 0.000 0.529 165 N N 2.208 120.902 118.700 -0.011 0.000 2.106 165 N HA -0.010 4.732 4.740 0.003 0.000 0.188 165 N C 1.476 176.945 175.510 -0.069 0.000 1.029 165 N CA 1.499 54.508 53.050 -0.068 0.000 0.848 165 N CB -0.599 37.813 38.487 -0.125 0.000 1.007 165 N HN 0.658 nan 8.380 nan 0.000 0.423 166 H N -1.134 117.992 119.070 0.093 0.000 2.387 166 H HA 0.008 4.565 4.556 0.003 0.000 0.299 166 H C 2.040 177.391 175.328 0.038 0.000 1.090 166 H CA 1.288 57.411 56.048 0.124 0.000 1.332 166 H CB -0.040 29.833 29.762 0.185 0.000 1.386 166 H HN 0.223 nan 8.280 nan 0.000 0.516 167 C N 0.246 119.642 119.300 0.160 0.000 2.413 167 C HA -0.142 4.320 4.460 0.003 0.000 0.276 167 C C 2.708 177.704 174.990 0.010 0.000 1.236 167 C CA 0.863 59.939 59.018 0.097 0.000 1.735 167 C CB -0.841 26.948 27.740 0.083 0.000 2.031 167 C HN 0.508 nan 8.230 nan 0.000 0.474 168 I N 1.080 121.626 120.570 -0.039 0.000 2.252 168 I HA -0.096 4.075 4.170 0.003 0.000 0.245 168 I C 2.725 178.718 176.117 -0.207 0.000 1.102 168 I CA 1.798 63.046 61.300 -0.087 0.000 1.385 168 I CB -0.872 37.091 38.000 -0.061 0.000 1.064 168 I HN 0.443 nan 8.210 nan 0.000 0.414 169 G N 0.510 109.023 108.800 -0.478 0.000 2.418 169 G HA2 -0.316 3.646 3.960 0.003 0.000 0.217 169 G HA3 -0.316 3.646 3.960 0.003 0.000 0.217 169 G C 1.439 176.050 174.900 -0.482 0.000 1.158 169 G CA 1.062 45.464 45.100 -1.164 0.000 0.771 169 G HN 0.310 nan 8.290 nan 0.000 0.545 170 N N 1.147 119.773 118.700 -0.123 0.000 2.166 170 N HA 0.001 4.743 4.740 0.003 0.000 0.186 170 N C 2.369 177.922 175.510 0.072 0.000 1.019 170 N CA 1.513 54.631 53.050 0.114 0.000 0.856 170 N CB -0.381 38.230 38.487 0.207 0.000 0.993 170 N HN 0.239 nan 8.380 nan 0.000 0.426 171 A N -0.544 122.287 122.820 0.018 0.000 1.898 171 A HA -0.146 4.176 4.320 0.003 0.000 0.216 171 A C 2.159 179.772 177.584 0.048 0.000 1.181 171 A CA 1.286 53.326 52.037 0.005 0.000 0.620 171 A CB -1.187 17.799 19.000 -0.024 0.000 0.819 171 A HN 0.529 nan 8.150 nan 0.000 0.442 172 Y N 1.183 121.422 120.300 -0.102 0.000 2.128 172 Y HA -0.250 4.302 4.550 0.003 0.000 0.284 172 Y C 2.117 178.000 175.900 -0.029 0.000 1.154 172 Y CA 2.225 60.270 58.100 -0.092 0.000 1.149 172 Y CB -0.659 37.707 38.460 -0.157 0.000 0.976 172 Y HN 0.509 nan 8.280 nan 0.000 0.505 173 E N -0.251 119.904 120.200 -0.075 0.000 2.085 173 E HA -0.260 4.092 4.350 0.003 0.000 0.194 173 E C 2.232 178.887 176.600 0.091 0.000 0.994 173 E CA 1.863 58.248 56.400 -0.026 0.000 0.801 173 E CB -0.309 29.529 29.700 0.230 0.000 0.743 173 E HN 0.562 nan 8.360 nan 0.000 0.453 174 M N 0.112 119.761 119.600 0.082 0.000 2.213 174 M HA -0.140 4.341 4.480 0.003 0.000 0.263 174 M C 2.210 178.529 176.300 0.033 0.000 1.062 174 M CA 1.281 56.630 55.300 0.082 0.000 1.105 174 M CB -0.195 32.430 32.600 0.042 0.000 1.385 174 M HN 0.132 nan 8.290 nan 0.000 0.417 175 I N -0.440 120.116 120.570 -0.022 0.000 2.333 175 I HA -0.233 3.939 4.170 0.003 0.000 0.246 175 I C 2.470 178.524 176.117 -0.104 0.000 1.106 175 I CA 1.003 62.275 61.300 -0.047 0.000 1.411 175 I CB -0.469 37.510 38.000 -0.036 0.000 1.082 175 I HN 0.335 nan 8.210 nan 0.000 0.420 176 Q N 0.233 119.893 119.800 -0.233 0.000 2.077 176 Q HA -0.244 4.098 4.340 0.003 0.000 0.206 176 Q C 1.755 177.524 176.000 -0.386 0.000 0.989 176 Q CA 1.974 57.525 55.803 -0.420 0.000 0.853 176 Q CB -0.185 28.073 28.738 -0.800 0.000 0.907 176 Q HN 0.528 nan 8.270 nan 0.000 0.418 177 Y N -1.194 119.050 120.300 -0.093 0.000 2.490 177 Y HA 0.161 4.712 4.550 0.002 0.000 0.281 177 Y C 1.460 177.337 175.900 -0.038 0.000 1.174 177 Y CA 0.663 58.728 58.100 -0.057 0.000 1.295 177 Y CB 0.515 38.947 38.460 -0.046 0.000 1.062 177 Y HN 0.268 nan 8.280 nan 0.000 0.522 178 G N -0.100 108.733 108.800 0.056 0.000 2.143 178 G HA2 -0.327 3.635 3.960 0.003 0.000 0.249 178 G HA3 -0.327 3.635 3.960 0.003 0.000 0.249 178 G C 1.318 176.241 174.900 0.037 0.000 0.981 178 G CA 0.532 45.651 45.100 0.032 0.000 0.665 178 G HN 0.417 nan 8.290 nan 0.000 0.528 179 K N -0.874 119.557 120.400 0.052 0.000 2.167 179 K HA 0.089 4.411 4.320 0.003 0.000 0.203 179 K C 0.960 177.571 176.600 0.018 0.000 1.052 179 K CA 0.874 57.185 56.287 0.039 0.000 0.956 179 K CB 0.033 32.565 32.500 0.053 0.000 0.735 179 K HN 0.418 nan 8.250 nan 0.000 0.451 180 Q N -0.358 119.445 119.800 0.005 0.000 2.416 180 Q HA 0.138 4.479 4.340 0.003 0.000 0.281 180 Q C -0.642 175.342 176.000 -0.027 0.000 1.067 180 Q CA -0.320 55.475 55.803 -0.014 0.000 0.809 180 Q CB 2.050 30.772 28.738 -0.027 0.000 1.418 180 Q HN -0.016 nan 8.270 nan 0.000 0.411 181 D N 0.213 120.590 120.400 -0.038 0.000 2.388 181 D HA 0.083 4.724 4.640 0.003 0.000 0.208 181 D C 0.236 176.488 176.300 -0.080 0.000 1.035 181 D CA 0.499 54.470 54.000 -0.049 0.000 0.875 181 D CB 1.405 42.181 40.800 -0.039 0.000 0.984 181 D HN 0.253 nan 8.370 nan 0.000 0.508 182 R N 0.128 120.564 120.500 -0.107 0.000 2.651 182 R HA 0.447 4.789 4.340 0.003 0.000 0.278 182 R C -1.553 174.606 176.300 -0.236 0.000 1.010 182 R CA -0.504 55.480 56.100 -0.193 0.000 0.896 182 R CB 1.585 31.748 30.300 -0.229 0.000 1.211 182 R HN -0.213 nan 8.270 nan 0.000 0.456 183 M N 4.063 123.470 119.600 -0.321 0.000 2.446 183 M HA 0.388 4.870 4.480 0.003 0.000 0.294 183 M C -1.410 174.615 176.300 -0.457 0.000 1.158 183 M CA -0.637 54.495 55.300 -0.280 0.000 0.899 183 M CB 1.913 34.434 32.600 -0.132 0.000 1.687 183 M HN 0.463 nan 8.290 nan 0.000 0.455 184 F N 1.606 121.511 119.950 -0.076 0.000 2.405 184 F HA 0.722 5.250 4.527 0.003 0.000 0.355 184 F C 0.487 176.237 175.800 -0.082 0.000 1.121 184 F CA -0.489 57.454 58.000 -0.094 0.000 1.112 184 F CB 1.270 40.191 39.000 -0.133 0.000 1.126 184 F HN 0.619 nan 8.300 nan 0.000 0.481 185 A N 2.187 125.047 122.820 0.068 0.000 2.475 185 A HA 0.963 5.285 4.320 0.003 0.000 0.301 185 A C -0.105 177.491 177.584 0.019 0.000 1.059 185 A CA 0.009 52.062 52.037 0.027 0.000 0.710 185 A CB 1.594 20.591 19.000 -0.006 0.000 1.288 185 A HN 1.143 nan 8.150 nan 0.000 0.408 186 G N -0.510 108.302 108.800 0.019 0.000 2.491 186 G HA2 0.712 4.674 3.960 0.003 0.000 0.183 186 G HA3 0.712 4.674 3.960 0.003 0.000 0.183 186 G C -0.063 174.853 174.900 0.026 0.000 1.221 186 G CA 0.505 45.609 45.100 0.006 0.000 0.996 186 G HN 2.508 nan 8.290 nan 0.000 0.474 187 G N -2.037 106.776 108.800 0.023 0.000 2.320 187 G HA2 0.733 4.694 3.960 0.003 0.000 0.296 187 G HA3 0.733 4.694 3.960 0.003 0.000 0.296 187 G C -0.607 174.324 174.900 0.052 0.000 1.306 187 G CA 0.786 45.914 45.100 0.047 0.000 0.836 187 G HN 2.506 nan 8.290 nan 0.000 0.517 188 C N -1.800 117.546 119.300 0.077 0.000 3.320 188 C HA 0.961 5.423 4.460 0.003 0.000 0.335 188 C C -1.203 173.859 174.990 0.120 0.000 1.430 188 C CA -0.896 58.189 59.018 0.112 0.000 1.271 188 C CB 1.345 29.170 27.740 0.142 0.000 1.609 188 C HN 1.226 nan 8.230 nan 0.000 0.457 189 E N 0.524 120.831 120.200 0.177 0.000 2.347 189 E HA 0.485 4.837 4.350 0.003 0.000 0.285 189 E C -1.578 175.188 176.600 0.277 0.000 0.925 189 E CA -0.034 56.466 56.400 0.167 0.000 0.779 189 E CB 1.583 31.352 29.700 0.115 0.000 1.233 189 E HN 0.854 nan 8.360 nan 0.000 0.414 190 D N 1.863 122.363 120.400 0.166 0.000 2.368 190 D HA 0.200 4.842 4.640 0.003 0.000 0.240 190 D C -0.980 175.472 176.300 0.254 0.000 1.169 190 D CA -0.183 53.892 54.000 0.126 0.000 0.906 190 D CB 0.748 41.529 40.800 -0.033 0.000 1.187 190 D HN 0.293 nan 8.370 nan 0.000 0.435 191 L N 2.477 123.894 121.223 0.323 0.000 2.294 191 L HA 0.508 4.850 4.340 0.003 0.000 0.283 191 L C -1.268 175.767 176.870 0.275 0.000 1.015 191 L CA -0.193 54.837 54.840 0.316 0.000 0.831 191 L CB 1.189 43.451 42.059 0.338 0.000 1.217 191 L HN 0.381 nan 8.230 nan 0.000 0.420 192 D N 2.693 123.260 120.400 0.279 0.000 2.736 192 D HA 0.220 4.862 4.640 0.003 0.000 0.223 192 D C 0.473 176.959 176.300 0.311 0.000 1.231 192 D CA -0.480 53.663 54.000 0.238 0.000 0.818 192 D CB 0.952 41.781 40.800 0.049 0.000 1.587 192 D HN 0.541 nan 8.370 nan 0.000 0.463 193 W N 2.647 124.130 121.300 0.306 0.000 2.364 193 W HA -0.170 4.491 4.660 0.002 0.000 0.281 193 W C 1.035 177.700 176.519 0.243 0.000 1.219 193 W CA 1.668 59.182 57.345 0.283 0.000 1.220 193 W CB -1.334 28.267 29.460 0.234 0.000 1.127 193 W HN 0.454 nan 8.180 nan 0.000 0.556 194 T N -0.400 113.786 114.554 -0.613 0.000 3.007 194 T HA -0.178 4.173 4.350 0.003 0.000 0.270 194 T C 1.746 176.334 174.700 -0.187 0.000 1.107 194 T CA 1.333 63.012 62.100 -0.702 0.000 1.118 194 T CB -0.554 67.816 68.868 -0.829 0.000 0.889 194 T HN 0.173 nan 8.240 nan 0.000 0.506 195 L N 0.825 122.043 121.223 -0.008 0.000 2.269 195 L HA 0.390 4.731 4.340 0.003 0.000 0.200 195 L C 2.528 179.557 176.870 0.266 0.000 1.069 195 L CA 1.135 56.047 54.840 0.120 0.000 0.804 195 L CB -0.667 41.495 42.059 0.171 0.000 0.987 195 L HN 0.134 nan 8.230 nan 0.000 0.468 196 S N -0.784 115.106 115.700 0.316 0.000 2.400 196 S HA -0.182 4.290 4.470 0.003 0.000 0.232 196 S C 1.983 176.697 174.600 0.191 0.000 1.025 196 S CA 1.395 59.807 58.200 0.354 0.000 0.993 196 S CB -0.569 62.783 63.200 0.253 0.000 0.808 196 S HN 0.367 nan 8.310 nan 0.000 0.478 197 V N 2.338 122.324 119.914 0.120 0.000 2.594 197 V HA -0.117 4.004 4.120 0.003 0.000 0.253 197 V C 1.755 177.726 176.094 -0.206 0.000 1.069 197 V CA 1.395 63.510 62.300 -0.308 0.000 1.082 197 V CB -0.520 31.311 31.823 0.013 0.000 0.680 197 V HN 0.482 nan 8.190 nan 0.000 0.469 198 L N -1.465 119.703 121.223 -0.091 0.000 2.093 198 L HA -0.120 4.221 4.340 0.003 0.000 0.208 198 L C 2.370 179.105 176.870 -0.225 0.000 1.085 198 L CA 1.630 56.356 54.840 -0.190 0.000 0.755 198 L CB -0.721 41.171 42.059 -0.278 0.000 0.904 198 L HN 0.301 nan 8.230 nan 0.000 0.435 199 F N 0.242 120.197 119.950 0.008 0.000 2.234 199 F HA -0.148 4.380 4.527 0.001 0.000 0.296 199 F C 2.299 178.051 175.800 -0.080 0.000 1.089 199 F CA 1.306 59.332 58.000 0.044 0.000 1.343 199 F CB -0.486 38.570 39.000 0.093 0.000 1.040 199 F HN 0.076 nan 8.300 nan 0.000 0.498 200 D N 0.237 120.612 120.400 -0.043 0.000 2.117 200 D HA -0.167 4.475 4.640 0.003 0.000 0.197 200 D C 2.218 178.425 176.300 -0.155 0.000 0.987 200 D CA 1.297 55.181 54.000 -0.192 0.000 0.829 200 D CB -0.141 40.317 40.800 -0.570 0.000 0.961 200 D HN 0.143 nan 8.370 nan 0.000 0.460 201 A N 0.422 123.137 122.820 -0.174 0.000 2.067 201 A HA -0.094 4.227 4.320 0.003 0.000 0.219 201 A C 2.167 179.722 177.584 -0.048 0.000 1.158 201 A CA 1.564 53.530 52.037 -0.117 0.000 0.661 201 A CB -0.826 18.103 19.000 -0.118 0.000 0.801 201 A HN 0.546 nan 8.150 nan 0.000 0.452 202 M N -2.841 116.754 119.600 -0.007 0.000 2.495 202 M HA 0.415 4.897 4.480 0.003 0.000 0.237 202 M C 1.088 177.428 176.300 0.067 0.000 1.131 202 M CA 0.829 56.154 55.300 0.041 0.000 1.032 202 M CB -0.022 32.629 32.600 0.084 0.000 1.513 202 M HN 0.591 nan 8.290 nan 0.000 0.488 203 G N 0.784 109.610 108.800 0.043 0.000 2.160 203 G HA2 -0.272 3.690 3.960 0.003 0.000 0.251 203 G HA3 -0.272 3.690 3.960 0.003 0.000 0.251 203 G C 0.754 175.703 174.900 0.082 0.000 1.008 203 G CA 0.373 45.499 45.100 0.044 0.000 0.724 203 G HN 0.786 nan 8.290 nan 0.000 0.514 204 A N -1.000 121.893 122.820 0.122 0.000 2.132 204 A HA 0.651 4.972 4.320 0.003 0.000 0.213 204 A C 1.364 178.915 177.584 -0.054 0.000 1.154 204 A CA 1.171 53.323 52.037 0.193 0.000 0.753 204 A CB 0.054 19.353 19.000 0.498 0.000 0.826 204 A HN 0.572 nan 8.150 nan 0.000 0.469 205 M N -0.200 119.282 119.600 -0.195 0.000 2.478 205 M HA 0.299 4.781 4.480 0.003 0.000 0.327 205 M C 0.294 176.544 176.300 -0.083 0.000 1.187 205 M CA -0.423 54.669 55.300 -0.346 0.000 1.022 205 M CB 1.714 34.080 32.600 -0.390 0.000 1.629 205 M HN 0.126 nan 8.290 nan 0.000 0.461 206 S N 0.722 116.405 115.700 -0.029 0.000 2.546 206 S HA 0.082 4.554 4.470 0.003 0.000 0.290 206 S C 0.787 175.432 174.600 0.074 0.000 1.290 206 S CA 0.253 58.500 58.200 0.079 0.000 1.069 206 S CB 0.307 63.600 63.200 0.154 0.000 0.846 206 S HN 0.815 nan 8.310 nan 0.000 0.495 207 S N 2.520 118.251 115.700 0.051 0.000 2.651 207 S HA 0.218 4.690 4.470 0.003 0.000 0.259 207 S C 1.567 176.137 174.600 -0.050 0.000 1.073 207 S CA 0.190 58.405 58.200 0.024 0.000 1.090 207 S CB -0.284 62.928 63.200 0.020 0.000 1.042 207 S HN 0.776 nan 8.310 nan 0.000 0.581 208 K N 0.751 121.052 120.400 -0.164 0.000 2.439 208 K HA 0.238 4.560 4.320 0.003 0.000 0.197 208 K C 0.778 177.028 176.600 -0.585 0.000 1.041 208 K CA 0.815 56.857 56.287 -0.409 0.000 0.970 208 K CB -1.083 31.051 32.500 -0.610 0.000 0.773 208 K HN 0.721 nan 8.250 nan 0.000 0.479 209 Y N 0.292 120.596 120.300 0.006 0.000 2.681 209 Y HA 0.220 4.770 4.550 -0.001 0.000 0.267 209 Y C 1.388 177.281 175.900 -0.012 0.000 1.166 209 Y CA -1.057 57.038 58.100 -0.008 0.000 1.209 209 Y CB 0.214 38.663 38.460 -0.018 0.000 1.161 209 Y HN 0.184 nan 8.280 nan 0.000 0.534 210 N N 0.879 119.613 118.700 0.058 0.000 2.205 210 N HA -0.172 4.570 4.740 0.003 0.000 0.186 210 N C 1.355 176.881 175.510 0.028 0.000 1.015 210 N CA 1.733 54.807 53.050 0.040 0.000 0.862 210 N CB -0.178 38.320 38.487 0.018 0.000 0.986 210 N HN 0.592 nan 8.380 nan 0.000 0.429 211 D N -0.331 120.086 120.400 0.027 0.000 2.317 211 D HA -0.062 4.580 4.640 0.003 0.000 0.211 211 D C 0.283 176.601 176.300 0.031 0.000 0.966 211 D CA 0.703 54.715 54.000 0.020 0.000 0.876 211 D CB -0.351 40.456 40.800 0.012 0.000 0.927 211 D HN 0.214 nan 8.370 nan 0.000 0.519 212 T N -2.106 112.485 114.554 0.062 0.000 3.504 212 T HA 0.365 4.717 4.350 0.003 0.000 0.286 212 T C -2.328 172.382 174.700 0.016 0.000 1.530 212 T CA -1.511 60.613 62.100 0.040 0.000 1.652 212 T CB 1.659 70.561 68.868 0.057 0.000 0.895 212 T HN -0.275 nan 8.240 nan 0.000 0.674 213 P HA -0.173 nan 4.420 nan 0.000 0.216 213 P C 2.019 179.286 177.300 -0.054 0.000 1.150 213 P CA 1.360 64.460 63.100 0.001 0.000 0.837 213 P CB -0.020 31.680 31.700 -0.000 0.000 0.786 214 S N -1.071 114.577 115.700 -0.087 0.000 2.442 214 S HA -0.129 4.343 4.470 0.003 0.000 0.236 214 S C 1.638 175.996 174.600 -0.403 0.000 1.007 214 S CA 1.813 59.928 58.200 -0.142 0.000 0.965 214 S CB -1.861 61.284 63.200 -0.090 0.000 0.773 214 S HN 0.335 nan 8.310 nan 0.000 0.504 215 T N -2.643 111.625 114.554 -0.476 0.000 3.134 215 T HA 0.679 5.030 4.350 0.003 0.000 0.260 215 T C 1.468 175.817 174.700 -0.585 0.000 1.027 215 T CA 0.171 61.751 62.100 -0.867 0.000 0.913 215 T CB 0.329 68.852 68.868 -0.576 0.000 1.046 215 T HN 0.412 nan 8.240 nan 0.000 0.553 216 A N 1.411 124.048 122.820 -0.304 0.000 1.969 216 A HA 0.203 4.524 4.320 0.003 0.000 0.218 216 A C 1.597 179.116 177.584 -0.107 0.000 1.169 216 A CA 0.701 52.654 52.037 -0.140 0.000 0.635 216 A CB -0.532 18.513 19.000 0.075 0.000 0.810 216 A HN 0.518 nan 8.150 nan 0.000 0.445 217 S N 0.184 115.850 115.700 -0.057 0.000 2.452 217 S HA 0.504 4.975 4.470 0.003 0.000 0.284 217 S C 0.143 174.781 174.600 0.063 0.000 1.171 217 S CA -0.687 57.533 58.200 0.034 0.000 1.064 217 S CB 0.038 63.286 63.200 0.081 0.000 0.967 217 S HN 0.529 nan 8.310 nan 0.000 0.484 218 R N 3.258 123.764 120.500 0.011 0.000 2.672 218 R HA 0.450 4.792 4.340 0.003 0.000 0.228 218 R C -0.286 176.004 176.300 -0.017 0.000 1.501 218 R CA -0.638 55.471 56.100 0.015 0.000 1.514 218 R CB -0.436 29.826 30.300 -0.065 0.000 1.489 218 R HN 0.489 nan 8.270 nan 0.000 0.747 219 A N 1.414 124.166 122.820 -0.113 0.000 2.565 219 A HA 0.146 4.468 4.320 0.003 0.000 0.237 219 A C 0.005 177.433 177.584 -0.260 0.000 1.053 219 A CA 0.723 52.550 52.037 -0.350 0.000 0.755 219 A CB -0.583 18.041 19.000 -0.627 0.000 0.980 219 A HN 0.664 nan 8.150 nan 0.000 0.506 220 Y N -1.170 119.204 120.300 0.123 0.000 4.897 220 Y HA -0.238 4.309 4.550 -0.004 0.000 0.263 220 Y C 0.469 176.538 175.900 0.283 0.000 0.945 220 Y CA 0.940 59.195 58.100 0.258 0.000 1.858 220 Y CB -2.433 36.097 38.460 0.116 0.000 1.296 220 Y HN 0.916 nan 8.280 nan 0.000 0.490 221 D N 1.032 121.590 120.400 0.264 0.000 2.414 221 D HA 0.149 4.791 4.640 0.003 0.000 0.242 221 D C 1.312 177.728 176.300 0.192 0.000 1.129 221 D CA 0.342 54.460 54.000 0.195 0.000 0.885 221 D CB 0.718 41.586 40.800 0.114 0.000 1.198 221 D HN 0.234 nan 8.370 nan 0.000 0.437 222 K N 2.068 122.555 120.400 0.144 0.000 2.152 222 K HA -0.166 4.156 4.320 0.003 0.000 0.206 222 K C 0.398 177.068 176.600 0.117 0.000 1.048 222 K CA 1.274 57.621 56.287 0.100 0.000 0.933 222 K CB -0.012 32.527 32.500 0.065 0.000 0.721 222 K HN 0.492 nan 8.250 nan 0.000 0.447 223 N N 0.593 119.384 118.700 0.152 0.000 2.238 223 N HA 0.018 4.760 4.740 0.003 0.000 0.222 223 N C -0.836 174.833 175.510 0.265 0.000 1.133 223 N CA -0.391 52.775 53.050 0.192 0.000 0.854 223 N CB 0.447 39.067 38.487 0.221 0.000 1.041 223 N HN 0.190 nan 8.380 nan 0.000 0.510 224 R N 1.565 122.192 120.500 0.211 0.000 2.678 224 R HA -0.044 4.298 4.340 0.003 0.000 0.264 224 R C -0.510 175.919 176.300 0.215 0.000 0.995 224 R CA 0.692 56.919 56.100 0.210 0.000 1.098 224 R CB 0.210 30.600 30.300 0.151 0.000 0.949 224 R HN 0.139 nan 8.270 nan 0.000 0.422 225 D N 0.703 121.239 120.400 0.228 0.000 2.740 225 D HA 0.217 4.858 4.640 0.003 0.000 0.305 225 D C 0.063 176.449 176.300 0.145 0.000 1.583 225 D CA 0.157 54.258 54.000 0.168 0.000 0.790 225 D CB 0.406 41.284 40.800 0.130 0.000 1.187 225 D HN 0.906 nan 8.370 nan 0.000 0.447 226 G N 0.451 109.348 108.800 0.161 0.000 2.357 226 G HA2 0.252 4.214 3.960 0.003 0.000 0.643 226 G HA3 0.252 4.214 3.960 0.003 0.000 0.643 226 G C -0.616 174.383 174.900 0.166 0.000 1.358 226 G CA -0.678 44.514 45.100 0.154 0.000 0.986 226 G HN 0.309 nan 8.290 nan 0.000 0.620 227 F N -0.360 119.654 119.950 0.106 0.000 2.375 227 F HA 0.804 5.330 4.527 -0.000 0.000 0.313 227 F C 0.186 176.037 175.800 0.085 0.000 1.176 227 F CA -1.198 56.845 58.000 0.072 0.000 1.142 227 F CB 1.194 40.234 39.000 0.066 0.000 1.275 227 F HN 0.390 nan 8.300 nan 0.000 0.544 228 V N 4.079 124.178 119.914 0.309 0.000 2.409 228 V HA 0.308 4.430 4.120 0.003 0.000 0.291 228 V C 0.037 176.350 176.094 0.365 0.000 1.020 228 V CA -0.873 61.545 62.300 0.197 0.000 0.848 228 V CB 1.271 33.191 31.823 0.161 0.000 0.990 228 V HN 0.862 nan 8.190 nan 0.000 0.430 229 I N 4.262 124.999 120.570 0.278 0.000 2.638 229 I HA 0.668 4.840 4.170 0.003 0.000 0.286 229 I C 0.412 176.670 176.117 0.235 0.000 1.088 229 I CA 0.288 61.782 61.300 0.323 0.000 1.397 229 I CB 1.180 39.332 38.000 0.254 0.000 1.414 229 I HN 0.802 nan 8.210 nan 0.000 0.566 230 A N 4.589 127.501 122.820 0.153 0.000 2.569 230 A HA 0.870 5.191 4.320 0.003 0.000 0.290 230 A C -0.665 176.967 177.584 0.079 0.000 1.136 230 A CA -0.255 51.836 52.037 0.090 0.000 0.710 230 A CB 1.347 20.379 19.000 0.054 0.000 1.303 230 A HN 0.812 nan 8.150 nan 0.000 0.413 231 G N -1.734 107.088 108.800 0.038 0.000 2.600 231 G HA2 0.868 4.830 3.960 0.003 0.000 0.303 231 G HA3 0.868 4.830 3.960 0.003 0.000 0.303 231 G C -0.045 174.762 174.900 -0.154 0.000 1.253 231 G CA -0.166 45.002 45.100 0.113 0.000 0.974 231 G HN 2.144 nan 8.290 nan 0.000 0.483 232 G N -1.462 107.321 108.800 -0.028 0.000 2.368 232 G HA2 0.693 4.655 3.960 0.003 0.000 0.269 232 G HA3 0.693 4.655 3.960 0.003 0.000 0.269 232 G C -1.040 173.904 174.900 0.073 0.000 1.291 232 G CA 0.483 45.444 45.100 -0.231 0.000 0.903 232 G HN 2.180 nan 8.290 nan 0.000 0.483 233 A N -1.850 120.962 122.820 -0.013 0.000 2.601 233 A HA 1.059 5.381 4.320 0.003 0.000 0.291 233 A C -0.276 177.284 177.584 -0.040 0.000 1.075 233 A CA 0.496 52.553 52.037 0.033 0.000 0.671 233 A CB 1.317 20.384 19.000 0.111 0.000 1.277 233 A HN 2.542 nan 8.150 nan 0.000 0.417 234 G N -0.890 107.884 108.800 -0.043 0.000 2.718 234 G HA2 0.673 4.635 3.960 0.003 0.000 0.295 234 G HA3 0.673 4.635 3.960 0.003 0.000 0.295 234 G C -1.886 172.976 174.900 -0.062 0.000 1.421 234 G CA -0.398 44.651 45.100 -0.085 0.000 0.902 234 G HN 1.393 nan 8.290 nan 0.000 0.501 235 V N 1.478 121.348 119.914 -0.073 0.000 2.686 235 V HA 0.558 4.680 4.120 0.003 0.000 0.306 235 V C -0.338 175.719 176.094 -0.061 0.000 1.065 235 V CA -0.646 61.629 62.300 -0.042 0.000 0.894 235 V CB 1.742 33.548 31.823 -0.028 0.000 1.004 235 V HN 0.683 nan 8.190 nan 0.000 0.424 236 L N 4.102 125.299 121.223 -0.043 0.000 2.325 236 L HA 0.670 5.011 4.340 0.003 0.000 0.278 236 L C -0.569 176.279 176.870 -0.038 0.000 1.023 236 L CA -1.024 53.779 54.840 -0.062 0.000 0.811 236 L CB 2.106 44.127 42.059 -0.063 0.000 1.249 236 L HN 0.345 nan 8.230 nan 0.000 0.431 237 V N 4.314 124.188 119.914 -0.067 0.000 2.383 237 V HA 0.367 4.489 4.120 0.003 0.000 0.275 237 V C 0.147 176.151 176.094 -0.150 0.000 1.036 237 V CA -0.334 61.856 62.300 -0.182 0.000 0.889 237 V CB 1.251 32.982 31.823 -0.153 0.000 0.985 237 V HN 0.472 nan 8.190 nan 0.000 0.459 238 L N 5.132 126.239 121.223 -0.194 0.000 2.334 238 L HA 0.725 5.067 4.340 0.003 0.000 0.276 238 L C -0.145 176.640 176.870 -0.141 0.000 1.014 238 L CA -0.469 54.304 54.840 -0.112 0.000 0.815 238 L CB 1.922 43.942 42.059 -0.064 0.000 1.268 238 L HN 0.618 nan 8.230 nan 0.000 0.428 239 E N 1.089 121.233 120.200 -0.093 0.000 2.356 239 E HA 0.186 4.538 4.350 0.003 0.000 0.275 239 E C -1.517 175.044 176.600 -0.065 0.000 0.904 239 E CA -0.865 55.479 56.400 -0.095 0.000 0.757 239 E CB 2.538 32.177 29.700 -0.102 0.000 1.232 239 E HN 0.642 nan 8.360 nan 0.000 0.442 240 D N 2.023 122.387 120.400 -0.060 0.000 2.400 240 D HA -0.057 4.584 4.640 0.003 0.000 0.238 240 D C 0.968 177.229 176.300 -0.066 0.000 1.157 240 D CA -0.305 53.665 54.000 -0.050 0.000 0.889 240 D CB 1.518 42.291 40.800 -0.045 0.000 1.199 240 D HN 0.306 nan 8.370 nan 0.000 0.436 241 L N 1.352 122.536 121.223 -0.065 0.000 2.012 241 L HA -0.201 4.141 4.340 0.003 0.000 0.210 241 L C 2.335 179.153 176.870 -0.087 0.000 1.073 241 L CA 2.009 56.786 54.840 -0.105 0.000 0.748 241 L CB -1.034 40.977 42.059 -0.081 0.000 0.891 241 L HN 0.631 nan 8.230 nan 0.000 0.431 242 E N -0.949 119.221 120.200 -0.050 0.000 2.085 242 E HA -0.193 4.158 4.350 0.003 0.000 0.194 242 E C 2.036 178.611 176.600 -0.042 0.000 0.994 242 E CA 1.986 58.364 56.400 -0.036 0.000 0.801 242 E CB -0.415 29.272 29.700 -0.021 0.000 0.743 242 E HN 0.538 nan 8.360 nan 0.000 0.453 243 T N 0.155 114.681 114.554 -0.047 0.000 2.684 243 T HA -0.184 4.167 4.350 0.003 0.000 0.267 243 T C 1.785 176.451 174.700 -0.056 0.000 1.036 243 T CA 1.627 63.700 62.100 -0.046 0.000 1.148 243 T CB -0.557 68.281 68.868 -0.050 0.000 0.863 243 T HN 0.367 nan 8.240 nan 0.000 0.436 244 A N 1.189 123.962 122.820 -0.078 0.000 1.877 244 A HA -0.004 4.317 4.320 0.003 0.000 0.216 244 A C 2.332 179.864 177.584 -0.086 0.000 1.186 244 A CA 1.284 53.265 52.037 -0.093 0.000 0.620 244 A CB -0.902 18.017 19.000 -0.136 0.000 0.822 244 A HN 0.474 nan 8.150 nan 0.000 0.443 245 L N -0.809 120.360 121.223 -0.090 0.000 2.046 245 L HA -0.202 4.140 4.340 0.003 0.000 0.208 245 L C 3.066 179.915 176.870 -0.034 0.000 1.077 245 L CA 1.101 55.904 54.840 -0.061 0.000 0.747 245 L CB -0.560 41.474 42.059 -0.040 0.000 0.896 245 L HN 0.448 nan 8.230 nan 0.000 0.432 246 A N 0.868 123.670 122.820 -0.030 0.000 2.019 246 A HA -0.185 4.136 4.320 0.003 0.000 0.219 246 A C 2.190 179.764 177.584 -0.016 0.000 1.164 246 A CA 1.573 53.599 52.037 -0.018 0.000 0.644 246 A CB -0.481 18.509 19.000 -0.017 0.000 0.805 246 A HN 0.586 nan 8.150 nan 0.000 0.449 247 R N -1.305 119.182 120.500 -0.022 0.000 2.427 247 R HA 0.369 4.711 4.340 0.003 0.000 0.262 247 R C 0.897 177.187 176.300 -0.017 0.000 0.943 247 R CA 0.546 56.637 56.100 -0.016 0.000 1.081 247 R CB -0.649 29.642 30.300 -0.015 0.000 1.166 247 R HN 0.639 nan 8.270 nan 0.000 0.534 248 G N 0.919 109.706 108.800 -0.022 0.000 2.273 248 G HA2 -0.332 3.629 3.960 0.003 0.000 0.280 248 G HA3 -0.332 3.629 3.960 0.003 0.000 0.280 248 G C 0.333 175.214 174.900 -0.031 0.000 1.047 248 G CA 0.198 45.285 45.100 -0.022 0.000 0.869 248 G HN 0.725 nan 8.290 nan 0.000 0.502 249 A N -0.438 122.355 122.820 -0.044 0.000 2.466 249 A HA 0.553 4.874 4.320 0.003 0.000 0.238 249 A C 0.895 178.434 177.584 -0.075 0.000 1.074 249 A CA 0.493 52.500 52.037 -0.051 0.000 0.774 249 A CB 0.374 19.336 19.000 -0.063 0.000 1.015 249 A HN 0.583 nan 8.150 nan 0.000 0.498 250 K N 0.412 120.763 120.400 -0.081 0.000 2.382 250 K HA 0.360 4.681 4.320 0.003 0.000 0.275 250 K C -0.933 175.549 176.600 -0.197 0.000 1.009 250 K CA 0.580 56.760 56.287 -0.177 0.000 0.970 250 K CB 0.559 32.919 32.500 -0.233 0.000 0.934 250 K HN 0.535 nan 8.250 nan 0.000 0.479 251 I N 3.570 123.987 120.570 -0.254 0.000 2.420 251 I HA 0.100 4.272 4.170 0.003 0.000 0.282 251 I C -0.091 175.896 176.117 -0.217 0.000 1.019 251 I CA -0.520 60.671 61.300 -0.182 0.000 1.130 251 I CB 0.839 38.729 38.000 -0.183 0.000 1.262 251 I HN 0.659 nan 8.210 nan 0.000 0.454 252 Y N 4.583 124.867 120.300 -0.028 0.000 2.457 252 Y HA 0.245 4.797 4.550 0.003 0.000 0.292 252 Y C 1.516 177.409 175.900 -0.011 0.000 1.125 252 Y CA 0.541 58.622 58.100 -0.033 0.000 1.254 252 Y CB 0.349 38.764 38.460 -0.074 0.000 1.012 252 Y HN 0.613 nan 8.280 nan 0.000 0.555 253 G N -0.563 108.327 108.800 0.149 0.000 2.338 253 G HA2 0.256 4.218 3.960 0.003 0.000 0.295 253 G HA3 0.256 4.218 3.960 0.003 0.000 0.295 253 G C -1.922 173.079 174.900 0.168 0.000 1.461 253 G CA -0.984 44.217 45.100 0.167 0.000 0.817 253 G HN -0.092 nan 8.290 nan 0.000 0.556 254 E N -0.129 120.180 120.200 0.182 0.000 2.171 254 E HA 0.558 4.910 4.350 0.003 0.000 0.271 254 E C -0.263 176.364 176.600 0.046 0.000 0.916 254 E CA -0.826 55.646 56.400 0.119 0.000 0.774 254 E CB 1.293 31.087 29.700 0.155 0.000 1.128 254 E HN 0.387 nan 8.360 nan 0.000 0.403 255 I N 5.393 125.898 120.570 -0.108 0.000 2.452 255 I HA 0.014 4.186 4.170 0.003 0.000 0.287 255 I C 1.031 176.915 176.117 -0.389 0.000 1.079 255 I CA -0.098 60.891 61.300 -0.518 0.000 1.387 255 I CB 0.901 38.333 38.000 -0.946 0.000 1.404 255 I HN 0.518 nan 8.210 nan 0.000 0.522 256 V N 2.476 122.200 119.914 -0.316 0.000 3.502 256 V HA 0.588 4.710 4.120 0.003 0.000 0.288 256 V C 0.542 176.617 176.094 -0.031 0.000 1.461 256 V CA 0.161 62.415 62.300 -0.078 0.000 1.029 256 V CB 0.237 32.051 31.823 -0.016 0.000 0.843 256 V HN 0.751 nan 8.190 nan 0.000 0.438 257 G N -0.526 108.185 108.800 -0.149 0.000 2.720 257 G HA2 0.562 4.524 3.960 0.003 0.000 0.295 257 G HA3 0.562 4.524 3.960 0.003 0.000 0.295 257 G C -2.456 172.457 174.900 0.022 0.000 1.437 257 G CA -0.648 44.456 45.100 0.006 0.000 0.886 257 G HN 0.407 nan 8.290 nan 0.000 0.509 258 Y N 0.622 120.937 120.300 0.026 0.000 2.358 258 Y HA 0.679 5.231 4.550 0.003 0.000 0.324 258 Y C -0.213 175.734 175.900 0.078 0.000 1.123 258 Y CA -1.108 57.016 58.100 0.040 0.000 1.067 258 Y CB 1.738 40.311 38.460 0.190 0.000 1.230 258 Y HN 0.914 nan 8.280 nan 0.000 0.429 259 G N 2.909 111.664 108.800 -0.076 0.000 2.452 259 G HA2 0.795 4.757 3.960 0.003 0.000 0.324 259 G HA3 0.795 4.757 3.960 0.003 0.000 0.324 259 G C -1.746 172.993 174.900 -0.268 0.000 1.214 259 G CA -0.594 44.386 45.100 -0.200 0.000 0.947 259 G HN 1.168 nan 8.290 nan 0.000 0.478 260 A N 1.239 123.920 122.820 -0.233 0.000 2.429 260 A HA 0.878 5.200 4.320 0.003 0.000 0.289 260 A C -0.059 177.544 177.584 0.031 0.000 1.043 260 A CA -0.013 52.024 52.037 0.001 0.000 0.722 260 A CB 1.370 20.391 19.000 0.034 0.000 1.243 260 A HN 1.642 nan 8.150 nan 0.000 0.415 261 T N -1.517 113.094 114.554 0.096 0.000 2.696 261 T HA 0.860 5.212 4.350 0.003 0.000 0.291 261 T C -0.368 174.375 174.700 0.070 0.000 1.095 261 T CA -0.436 61.693 62.100 0.048 0.000 1.026 261 T CB 1.655 70.525 68.868 0.004 0.000 1.390 261 T HN 1.473 nan 8.240 nan 0.000 0.513 262 S N -0.905 114.814 115.700 0.032 0.000 2.547 262 S HA 0.451 4.923 4.470 0.003 0.000 0.281 262 S C -0.239 174.371 174.600 0.018 0.000 1.118 262 S CA -0.607 57.616 58.200 0.039 0.000 0.947 262 S CB 1.536 64.757 63.200 0.035 0.000 1.053 262 S HN 0.677 nan 8.310 nan 0.000 0.482 263 D N 2.996 123.414 120.400 0.030 0.000 2.123 263 D HA 0.132 4.774 4.640 0.003 0.000 0.200 263 D C 1.470 177.813 176.300 0.072 0.000 0.976 263 D CA 1.469 55.489 54.000 0.032 0.000 0.831 263 D CB -0.503 40.343 40.800 0.077 0.000 0.974 263 D HN 1.055 nan 8.370 nan 0.000 0.469 264 G N 0.296 109.145 108.800 0.081 0.000 2.338 264 G HA2 -0.333 3.629 3.960 0.003 0.000 0.296 264 G HA3 -0.333 3.629 3.960 0.003 0.000 0.296 264 G C 0.168 175.158 174.900 0.150 0.000 1.040 264 G CA 1.201 46.350 45.100 0.082 0.000 1.004 264 G HN 0.417 nan 8.290 nan 0.000 0.509 265 Y N -0.223 120.070 120.300 -0.013 0.000 3.223 265 Y HA 0.498 5.047 4.550 -0.001 0.000 0.159 265 Y C 0.476 176.365 175.900 -0.017 0.000 0.875 265 Y CA 0.471 58.562 58.100 -0.015 0.000 1.850 265 Y CB 0.443 38.892 38.460 -0.018 0.000 1.362 265 Y HN 0.211 nan 8.280 nan 0.000 0.341 266 D N -0.416 119.854 120.400 -0.217 0.000 2.575 266 D HA 0.254 4.896 4.640 0.003 0.000 0.236 266 D C 0.617 176.838 176.300 -0.132 0.000 1.075 266 D CA -0.406 53.406 54.000 -0.315 0.000 0.860 266 D CB 2.019 42.558 40.800 -0.435 0.000 1.475 266 D HN 0.252 nan 8.370 nan 0.000 0.474 267 M N 3.159 122.661 119.600 -0.162 0.000 2.229 267 M HA -0.005 4.476 4.480 0.003 0.000 0.264 267 M C 0.916 177.030 176.300 -0.311 0.000 1.063 267 M CA 1.778 56.981 55.300 -0.162 0.000 1.114 267 M CB 0.006 32.510 32.600 -0.160 0.000 1.387 267 M HN 0.421 nan 8.290 nan 0.000 0.420 268 V N -3.658 116.037 119.914 -0.365 0.000 3.572 268 V HA 0.622 4.743 4.120 0.003 0.000 0.260 268 V C 0.751 176.733 176.094 -0.187 0.000 1.324 268 V CA 0.089 62.000 62.300 -0.648 0.000 1.068 268 V CB -1.013 30.430 31.823 -0.634 0.000 0.837 268 V HN 0.286 nan 8.190 nan 0.000 0.450 269 A N 2.521 125.312 122.820 -0.048 0.000 2.337 269 A HA 0.906 5.228 4.320 0.003 0.000 0.329 269 A C -2.781 174.896 177.584 0.155 0.000 1.146 269 A CA -1.937 50.155 52.037 0.092 0.000 0.800 269 A CB 0.848 19.901 19.000 0.089 0.000 1.220 269 A HN 0.313 nan 8.150 nan 0.000 0.472 270 P HA 0.166 nan 4.420 nan 0.000 0.277 270 P C 0.618 178.005 177.300 0.146 0.000 1.240 270 P CA -0.129 63.049 63.100 0.131 0.000 0.798 270 P CB 1.514 33.260 31.700 0.076 0.000 0.979 271 S N 0.834 116.559 115.700 0.042 0.000 2.446 271 S HA 0.155 4.626 4.470 0.003 0.000 0.225 271 S C 1.612 176.099 174.600 -0.188 0.000 1.016 271 S CA 0.987 59.061 58.200 -0.209 0.000 0.943 271 S CB -1.063 61.887 63.200 -0.416 0.000 0.786 271 S HN 0.738 nan 8.310 nan 0.000 0.508 272 G N 2.338 111.046 108.800 -0.153 0.000 2.729 272 G HA2 -0.437 3.525 3.960 0.003 0.000 0.216 272 G HA3 -0.437 3.525 3.960 0.003 0.000 0.216 272 G C 0.954 175.752 174.900 -0.171 0.000 1.252 272 G CA 0.921 45.936 45.100 -0.143 0.000 0.751 272 G HN 0.750 nan 8.290 nan 0.000 0.527 273 E N 1.754 121.852 120.200 -0.169 0.000 2.153 273 E HA 0.247 4.599 4.350 0.003 0.000 0.194 273 E C 2.397 178.908 176.600 -0.149 0.000 0.988 273 E CA 2.199 58.514 56.400 -0.142 0.000 0.811 273 E CB -1.133 28.487 29.700 -0.134 0.000 0.746 273 E HN 1.016 nan 8.360 nan 0.000 0.466 274 G N 0.741 109.436 108.800 -0.175 0.000 2.418 274 G HA2 -0.215 3.747 3.960 0.003 0.000 0.217 274 G HA3 -0.215 3.747 3.960 0.003 0.000 0.217 274 G C 1.773 176.531 174.900 -0.237 0.000 1.158 274 G CA 1.064 46.064 45.100 -0.166 0.000 0.771 274 G HN 0.501 nan 8.290 nan 0.000 0.545 275 A N 0.677 123.249 122.820 -0.413 0.000 1.930 275 A HA 0.079 4.401 4.320 0.003 0.000 0.217 275 A C 2.387 179.857 177.584 -0.190 0.000 1.175 275 A CA 1.164 52.839 52.037 -0.603 0.000 0.627 275 A CB -0.317 18.084 19.000 -0.998 0.000 0.815 275 A HN 0.382 nan 8.150 nan 0.000 0.443 276 I N -0.876 119.612 120.570 -0.137 0.000 2.179 276 I HA -0.282 3.890 4.170 0.003 0.000 0.242 276 I C 2.773 178.856 176.117 -0.057 0.000 1.088 276 I CA 1.455 62.714 61.300 -0.068 0.000 1.357 276 I CB -0.344 37.614 38.000 -0.071 0.000 1.051 276 I HN 0.288 nan 8.210 nan 0.000 0.409 277 R N -0.353 120.105 120.500 -0.070 0.000 2.096 277 R HA -0.183 4.159 4.340 0.003 0.000 0.235 277 R C 2.464 178.747 176.300 -0.029 0.000 1.127 277 R CA 1.537 57.606 56.100 -0.051 0.000 0.968 277 R CB -0.703 29.564 30.300 -0.054 0.000 0.861 277 R HN 0.480 nan 8.270 nan 0.000 0.440 278 C N 0.705 119.996 119.300 -0.015 0.000 2.453 278 C HA -0.045 4.416 4.460 0.003 0.000 0.277 278 C C 2.604 177.636 174.990 0.070 0.000 1.262 278 C CA 0.788 59.832 59.018 0.043 0.000 1.718 278 C CB -0.635 27.181 27.740 0.127 0.000 2.031 278 C HN 0.454 nan 8.230 nan 0.000 0.480 279 M N 0.129 119.787 119.600 0.097 0.000 2.132 279 M HA -0.140 4.342 4.480 0.003 0.000 0.263 279 M C 2.253 178.568 176.300 0.024 0.000 1.065 279 M CA 1.757 57.118 55.300 0.102 0.000 1.122 279 M CB -0.470 32.220 32.600 0.149 0.000 1.365 279 M HN 0.371 nan 8.290 nan 0.000 0.411 280 K N 0.065 120.453 120.400 -0.019 0.000 2.097 280 K HA -0.156 4.165 4.320 0.003 0.000 0.206 280 K C 1.988 178.572 176.600 -0.026 0.000 1.049 280 K CA 1.408 57.667 56.287 -0.047 0.000 0.933 280 K CB -0.219 32.246 32.500 -0.059 0.000 0.717 280 K HN 0.349 nan 8.250 nan 0.000 0.442 281 M N 0.465 120.054 119.600 -0.018 0.000 2.117 281 M HA -0.156 4.326 4.480 0.003 0.000 0.262 281 M C 2.144 178.442 176.300 -0.004 0.000 1.065 281 M CA 1.658 56.946 55.300 -0.021 0.000 1.114 281 M CB -0.078 32.496 32.600 -0.043 0.000 1.361 281 M HN 0.182 nan 8.290 nan 0.000 0.408 282 A N 0.437 123.264 122.820 0.012 0.000 1.902 282 A HA -0.117 4.204 4.320 0.003 0.000 0.217 282 A C 1.915 179.520 177.584 0.033 0.000 1.181 282 A CA 1.373 53.432 52.037 0.036 0.000 0.623 282 A CB -0.918 18.113 19.000 0.052 0.000 0.818 282 A HN 0.596 nan 8.150 nan 0.000 0.443 283 L N 0.701 121.939 121.223 0.024 0.000 2.478 283 L HA -0.075 4.267 4.340 0.003 0.000 0.223 283 L C 2.629 179.504 176.870 0.008 0.000 1.140 283 L CA 0.916 55.768 54.840 0.019 0.000 0.842 283 L CB -0.236 41.819 42.059 -0.006 0.000 0.953 283 L HN 0.570 nan 8.230 nan 0.000 0.452 284 S N -1.425 114.278 115.700 0.005 0.000 2.447 284 S HA -0.132 4.340 4.470 0.003 0.000 0.233 284 S C 1.650 176.258 174.600 0.014 0.000 1.006 284 S CA 1.266 59.467 58.200 0.002 0.000 0.957 284 S CB -0.615 62.585 63.200 -0.000 0.000 0.773 284 S HN 0.533 nan 8.310 nan 0.000 0.507 285 T N -1.132 113.439 114.554 0.028 0.000 3.129 285 T HA 0.490 4.842 4.350 0.003 0.000 0.267 285 T C 0.008 174.730 174.700 0.036 0.000 1.018 285 T CA -0.456 61.667 62.100 0.038 0.000 0.903 285 T CB 0.093 68.999 68.868 0.063 0.000 1.067 285 T HN 0.141 nan 8.240 nan 0.000 0.549 286 V N 2.819 122.751 119.914 0.030 0.000 2.417 286 V HA 0.414 4.536 4.120 0.003 0.000 0.291 286 V C 1.414 177.526 176.094 0.029 0.000 1.024 286 V CA -0.401 61.918 62.300 0.031 0.000 0.861 286 V CB 1.532 33.378 31.823 0.037 0.000 0.985 286 V HN 0.582 nan 8.190 nan 0.000 0.436 287 T N -0.122 114.449 114.554 0.028 0.000 3.040 287 T HA 0.120 4.471 4.350 0.003 0.000 0.252 287 T C 0.829 175.546 174.700 0.028 0.000 1.064 287 T CA 0.076 62.190 62.100 0.023 0.000 1.110 287 T CB 0.217 69.096 68.868 0.018 0.000 0.921 287 T HN 0.467 nan 8.240 nan 0.000 0.480 288 S N 1.826 117.546 115.700 0.034 0.000 2.672 288 S HA 0.443 4.915 4.470 0.003 0.000 0.276 288 S C 0.110 174.744 174.600 0.056 0.000 1.207 288 S CA -1.086 57.137 58.200 0.038 0.000 1.002 288 S CB 1.120 64.340 63.200 0.033 0.000 0.998 288 S HN 0.658 nan 8.310 nan 0.000 0.542 289 K N 0.663 121.098 120.400 0.058 0.000 2.276 289 K HA 0.240 4.562 4.320 0.003 0.000 0.259 289 K C -0.634 176.016 176.600 0.084 0.000 1.001 289 K CA -0.396 55.942 56.287 0.084 0.000 0.927 289 K CB 0.198 32.740 32.500 0.070 0.000 0.969 289 K HN 0.278 nan 8.250 nan 0.000 0.490 290 I N 2.765 123.400 120.570 0.108 0.000 2.395 290 I HA 0.009 4.180 4.170 0.003 0.000 0.289 290 I C 0.487 176.602 176.117 -0.003 0.000 1.023 290 I CA -0.113 61.217 61.300 0.050 0.000 1.350 290 I CB 1.098 39.110 38.000 0.019 0.000 1.409 290 I HN 0.762 nan 8.210 nan 0.000 0.507 291 D N 4.935 125.348 120.400 0.021 0.000 2.367 291 D HA 0.001 4.642 4.640 0.003 0.000 0.207 291 D C -0.324 176.029 176.300 0.088 0.000 1.034 291 D CA 0.779 54.801 54.000 0.037 0.000 0.861 291 D CB 0.735 41.564 40.800 0.048 0.000 0.943 291 D HN 0.495 nan 8.370 nan 0.000 0.515 292 Y N 0.440 120.684 120.300 -0.092 0.000 2.474 292 Y HA 0.351 4.903 4.550 0.003 0.000 0.326 292 Y C -2.160 173.672 175.900 -0.113 0.000 1.160 292 Y CA -1.009 57.029 58.100 -0.103 0.000 1.056 292 Y CB 0.690 39.101 38.460 -0.081 0.000 1.330 292 Y HN -0.295 nan 8.280 nan 0.000 0.447 293 I N 6.188 126.256 120.570 -0.837 0.000 2.362 293 I HA 0.293 4.465 4.170 0.003 0.000 0.289 293 I C -0.409 175.036 176.117 -1.120 0.000 0.994 293 I CA -0.694 60.132 61.300 -0.790 0.000 1.158 293 I CB 1.351 39.067 38.000 -0.473 0.000 1.315 293 I HN 0.621 nan 8.210 nan 0.000 0.451 294 N N 9.295 127.480 118.700 -0.859 0.000 2.500 294 N HA 0.305 5.046 4.740 0.003 0.000 0.236 294 N C -2.610 172.767 175.510 -0.222 0.000 1.022 294 N CA -1.486 51.309 53.050 -0.424 0.000 0.935 294 N CB 1.267 39.666 38.487 -0.147 0.000 1.147 294 N HN 0.269 nan 8.380 nan 0.000 0.512 295 P HA 0.085 nan 4.420 nan 0.000 0.277 295 P C 0.464 177.684 177.300 -0.134 0.000 1.271 295 P CA -0.068 62.972 63.100 -0.099 0.000 0.795 295 P CB 1.226 32.938 31.700 0.020 0.000 1.101 296 H N 1.528 120.440 119.070 -0.262 0.000 2.389 296 H HA 0.068 4.624 4.556 0.000 0.000 0.299 296 H C 0.580 175.775 175.328 -0.222 0.000 1.081 296 H CA 1.162 57.030 56.048 -0.299 0.000 1.345 296 H CB -1.012 28.543 29.762 -0.345 0.000 1.393 296 H HN 0.522 nan 8.280 nan 0.000 0.520 297 A N 0.841 123.501 122.820 -0.268 0.000 2.279 297 A HA -0.155 4.167 4.320 0.003 0.000 0.316 297 A C 1.436 178.737 177.584 -0.471 0.000 0.864 297 A CA 1.261 53.084 52.037 -0.357 0.000 1.333 297 A CB -0.822 17.888 19.000 -0.483 0.000 0.677 297 A HN 0.806 nan 8.150 nan 0.000 0.316 298 T N -0.331 113.953 114.554 -0.449 0.000 3.069 298 T HA 0.402 4.753 4.350 0.003 0.000 0.252 298 T C 0.629 175.278 174.700 -0.085 0.000 1.053 298 T CA 0.734 62.619 62.100 -0.358 0.000 0.964 298 T CB 0.122 68.732 68.868 -0.430 0.000 1.005 298 T HN 2.073 nan 8.240 nan 0.000 0.532 299 S N 0.850 116.489 115.700 -0.102 0.000 3.807 299 S HA -0.126 4.346 4.470 0.003 0.000 0.304 299 S C 0.200 174.860 174.600 0.099 0.000 1.152 299 S CA 0.577 58.771 58.200 -0.011 0.000 0.852 299 S CB -2.027 61.188 63.200 0.026 0.000 0.924 299 S HN 1.263 nan 8.310 nan 0.000 0.545 300 T N -1.299 113.326 114.554 0.118 0.000 2.885 300 T HA 0.709 5.060 4.350 0.003 0.000 0.285 300 T C -1.665 173.146 174.700 0.185 0.000 1.019 300 T CA -1.745 60.466 62.100 0.185 0.000 1.010 300 T CB 1.862 70.877 68.868 0.246 0.000 1.022 300 T HN -0.093 nan 8.240 nan 0.000 0.466 301 P HA -0.060 nan 4.420 nan 0.000 0.215 301 P C 1.514 178.930 177.300 0.194 0.000 1.157 301 P CA 1.584 64.790 63.100 0.178 0.000 0.874 301 P CB -0.138 31.648 31.700 0.143 0.000 0.790 302 A N -1.261 121.672 122.820 0.188 0.000 2.123 302 A HA 0.181 4.503 4.320 0.003 0.000 0.214 302 A C 2.224 179.935 177.584 0.212 0.000 1.152 302 A CA 1.510 53.658 52.037 0.186 0.000 0.728 302 A CB -1.231 17.870 19.000 0.168 0.000 0.814 302 A HN 0.296 nan 8.150 nan 0.000 0.464 303 G N -0.562 108.377 108.800 0.232 0.000 2.559 303 G HA2 0.026 3.988 3.960 0.003 0.000 0.209 303 G HA3 0.026 3.988 3.960 0.003 0.000 0.209 303 G C 0.942 175.986 174.900 0.240 0.000 1.151 303 G CA 0.818 46.072 45.100 0.257 0.000 0.824 303 G HN 0.356 nan 8.290 nan 0.000 0.543 304 D N 1.382 121.902 120.400 0.199 0.000 2.144 304 D HA 0.020 4.662 4.640 0.003 0.000 0.200 304 D C 2.710 179.137 176.300 0.212 0.000 0.978 304 D CA 1.191 55.273 54.000 0.136 0.000 0.833 304 D CB -0.218 40.615 40.800 0.055 0.000 0.961 304 D HN 0.292 nan 8.370 nan 0.000 0.470 305 A N 1.075 124.116 122.820 0.369 0.000 1.872 305 A HA -0.040 4.282 4.320 0.003 0.000 0.214 305 A C -0.225 177.526 177.584 0.277 0.000 1.187 305 A CA 0.974 53.294 52.037 0.472 0.000 0.614 305 A CB -1.382 17.921 19.000 0.506 0.000 0.826 305 A HN 0.173 nan 8.150 nan 0.000 0.442 306 P HA -0.151 nan 4.420 nan 0.000 0.218 306 P C 1.380 178.750 177.300 0.116 0.000 1.149 306 P CA 1.459 64.639 63.100 0.135 0.000 0.817 306 P CB -0.008 31.753 31.700 0.102 0.000 0.785 307 E N -0.263 120.037 120.200 0.168 0.000 2.072 307 E HA -0.156 4.195 4.350 0.003 0.000 0.191 307 E C 1.861 178.553 176.600 0.153 0.000 0.985 307 E CA 0.952 57.477 56.400 0.209 0.000 0.801 307 E CB -0.333 29.576 29.700 0.348 0.000 0.750 307 E HN 0.010 nan 8.360 nan 0.000 0.452 308 I N 1.462 122.091 120.570 0.100 0.000 2.226 308 I HA -0.217 3.954 4.170 0.003 0.000 0.245 308 I C 2.460 178.627 176.117 0.084 0.000 1.100 308 I CA 1.344 62.655 61.300 0.018 0.000 1.374 308 I CB -1.059 36.840 38.000 -0.169 0.000 1.057 308 I HN 0.245 nan 8.210 nan 0.000 0.413 309 E N 1.488 121.759 120.200 0.119 0.000 2.110 309 E HA -0.154 4.198 4.350 0.003 0.000 0.193 309 E C 2.172 178.815 176.600 0.072 0.000 0.988 309 E CA 1.655 58.115 56.400 0.099 0.000 0.804 309 E CB -0.141 29.617 29.700 0.096 0.000 0.745 309 E HN 0.377 nan 8.360 nan 0.000 0.458 310 A N 0.547 123.408 122.820 0.068 0.000 1.902 310 A HA -0.131 4.191 4.320 0.003 0.000 0.217 310 A C 2.372 180.016 177.584 0.099 0.000 1.181 310 A CA 1.532 53.600 52.037 0.051 0.000 0.623 310 A CB -0.709 18.308 19.000 0.029 0.000 0.818 310 A HN 0.360 nan 8.150 nan 0.000 0.443 311 I N -1.223 119.440 120.570 0.155 0.000 2.226 311 I HA -0.256 3.916 4.170 0.003 0.000 0.245 311 I C 2.738 178.998 176.117 0.238 0.000 1.100 311 I CA 1.551 63.008 61.300 0.261 0.000 1.374 311 I CB -0.333 37.775 38.000 0.179 0.000 1.057 311 I HN 0.332 nan 8.210 nan 0.000 0.413 312 R N 0.642 121.223 120.500 0.135 0.000 2.091 312 R HA -0.218 4.123 4.340 0.003 0.000 0.238 312 R C 2.323 178.668 176.300 0.074 0.000 1.136 312 R CA 1.646 57.809 56.100 0.105 0.000 0.959 312 R CB -0.098 30.250 30.300 0.081 0.000 0.856 312 R HN 0.477 nan 8.270 nan 0.000 0.437 313 Q N -0.359 119.468 119.800 0.045 0.000 2.167 313 Q HA -0.119 4.223 4.340 0.003 0.000 0.202 313 Q C 2.110 178.079 176.000 -0.050 0.000 0.970 313 Q CA 1.222 57.025 55.803 -0.000 0.000 0.855 313 Q CB 0.104 28.835 28.738 -0.011 0.000 0.911 313 Q HN 0.447 nan 8.270 nan 0.000 0.438 314 I N -1.071 119.444 120.570 -0.092 0.000 2.339 314 I HA -0.146 4.026 4.170 0.003 0.000 0.245 314 I C 1.240 177.123 176.117 -0.390 0.000 1.096 314 I CA 1.015 62.124 61.300 -0.319 0.000 1.408 314 I CB 0.113 37.791 38.000 -0.537 0.000 1.092 314 I HN 0.071 nan 8.210 nan 0.000 0.423 315 F N 0.466 120.416 119.950 0.001 0.000 2.720 315 F HA 0.396 4.923 4.527 -0.000 0.000 0.301 315 F C 1.370 177.170 175.800 -0.000 0.000 1.103 315 F CA 0.412 58.411 58.000 -0.001 0.000 1.291 315 F CB -0.052 38.945 39.000 -0.005 0.000 1.086 315 F HN 0.120 nan 8.300 nan 0.000 0.592 316 G N 0.774 109.667 108.800 0.154 0.000 2.681 316 G HA2 0.155 4.117 3.960 0.003 0.000 0.220 316 G HA3 0.155 4.117 3.960 0.003 0.000 0.220 316 G C -0.564 174.394 174.900 0.097 0.000 1.353 316 G CA -0.638 44.521 45.100 0.098 0.000 0.872 316 G HN 0.646 nan 8.290 nan 0.000 0.557 317 A N -1.344 121.514 122.820 0.063 0.000 2.344 317 A HA 1.194 5.516 4.320 0.003 0.000 0.307 317 A C 1.497 179.101 177.584 0.033 0.000 1.151 317 A CA 1.298 53.362 52.037 0.046 0.000 0.842 317 A CB 0.998 20.024 19.000 0.042 0.000 1.350 317 A HN 3.070 nan 8.150 nan 0.000 0.459 318 G N 0.194 109.006 108.800 0.019 0.000 2.575 318 G HA2 -0.251 3.710 3.960 0.003 0.000 0.267 318 G HA3 -0.251 3.710 3.960 0.003 0.000 0.267 318 G C 0.293 175.199 174.900 0.010 0.000 1.264 318 G CA 0.703 45.810 45.100 0.013 0.000 0.935 318 G HN 0.748 nan 8.290 nan 0.000 0.568 319 D N 0.126 120.533 120.400 0.011 0.000 2.221 319 D HA -0.092 4.550 4.640 0.003 0.000 0.204 319 D C 2.715 179.024 176.300 0.015 0.000 0.982 319 D CA 2.129 56.134 54.000 0.010 0.000 0.857 319 D CB -0.403 40.404 40.800 0.012 0.000 0.934 319 D HN 0.967 nan 8.370 nan 0.000 0.475 320 V N -1.190 118.740 119.914 0.027 0.000 3.041 320 V HA 0.023 4.144 4.120 0.003 0.000 0.260 320 V C 1.249 177.378 176.094 0.057 0.000 1.105 320 V CA -0.137 62.189 62.300 0.043 0.000 1.125 320 V CB -0.834 31.020 31.823 0.051 0.000 0.730 320 V HN 0.169 nan 8.190 nan 0.000 0.479 321 C N 2.846 122.170 119.300 0.039 0.000 2.593 321 C HA 0.532 4.994 4.460 0.003 0.000 0.409 321 C C -1.962 172.975 174.990 -0.088 0.000 1.304 321 C CA -1.613 57.410 59.018 0.007 0.000 2.007 321 C CB 0.343 28.085 27.740 0.003 0.000 2.614 321 C HN 0.460 nan 8.230 nan 0.000 0.585 322 P HA 0.210 nan 4.420 nan 0.000 0.269 322 P C -2.521 174.684 177.300 -0.160 0.000 1.209 322 P CA -0.628 62.345 63.100 -0.212 0.000 0.776 322 P CB -0.150 31.317 31.700 -0.390 0.000 0.876 323 P HA 0.102 nan 4.420 nan 0.000 0.266 323 P C -0.462 176.837 177.300 -0.001 0.000 1.195 323 P CA 0.781 63.880 63.100 -0.002 0.000 0.768 323 P CB 0.230 31.973 31.700 0.072 0.000 0.838 324 I N 1.917 122.472 120.570 -0.024 0.000 2.436 324 I HA 0.620 4.792 4.170 0.003 0.000 0.289 324 I C -0.224 175.947 176.117 0.090 0.000 1.010 324 I CA -0.593 60.673 61.300 -0.056 0.000 1.098 324 I CB 1.909 39.811 38.000 -0.162 0.000 1.266 324 I HN 0.257 nan 8.210 nan 0.000 0.434 325 A N 4.991 127.946 122.820 0.226 0.000 2.414 325 A HA 0.805 5.127 4.320 0.003 0.000 0.286 325 A C -0.448 177.258 177.584 0.203 0.000 1.073 325 A CA -0.587 51.598 52.037 0.247 0.000 0.727 325 A CB 1.257 20.409 19.000 0.253 0.000 1.215 325 A HN 0.770 nan 8.150 nan 0.000 0.430 326 A N 2.635 125.546 122.820 0.151 0.000 2.437 326 A HA 0.478 4.800 4.320 0.003 0.000 0.303 326 A C 1.321 178.897 177.584 -0.013 0.000 1.324 326 A CA 0.392 52.448 52.037 0.032 0.000 0.983 326 A CB -0.634 18.308 19.000 -0.095 0.000 1.142 326 A HN 1.479 nan 8.150 nan 0.000 0.541 327 T N 0.376 114.932 114.554 0.004 0.000 3.035 327 T HA -0.087 4.264 4.350 0.003 0.000 0.268 327 T C 1.375 176.032 174.700 -0.072 0.000 1.109 327 T CA 1.255 63.325 62.100 -0.050 0.000 1.119 327 T CB -0.227 68.623 68.868 -0.030 0.000 0.900 327 T HN 0.653 nan 8.240 nan 0.000 0.503 328 K N 1.257 121.619 120.400 -0.063 0.000 2.362 328 K HA 0.056 4.378 4.320 0.003 0.000 0.200 328 K C 2.463 179.045 176.600 -0.030 0.000 1.046 328 K CA 0.922 57.175 56.287 -0.057 0.000 0.952 328 K CB -0.132 32.288 32.500 -0.132 0.000 0.753 328 K HN 0.320 nan 8.250 nan 0.000 0.466 329 S N 1.287 116.958 115.700 -0.048 0.000 2.419 329 S HA -0.056 4.416 4.470 0.003 0.000 0.233 329 S C 1.765 176.403 174.600 0.063 0.000 1.016 329 S CA 0.941 59.151 58.200 0.015 0.000 0.974 329 S CB -0.051 63.116 63.200 -0.055 0.000 0.786 329 S HN 0.234 nan 8.310 nan 0.000 0.492 330 L N 0.734 121.931 121.223 -0.043 0.000 2.202 330 L HA 0.037 4.379 4.340 0.003 0.000 0.205 330 L C 2.633 179.495 176.870 -0.013 0.000 1.083 330 L CA 1.344 56.168 54.840 -0.026 0.000 0.790 330 L CB -0.600 41.378 42.059 -0.135 0.000 0.942 330 L HN 0.403 nan 8.230 nan 0.000 0.452 331 T N -3.590 110.945 114.554 -0.031 0.000 3.014 331 T HA 0.397 4.749 4.350 0.003 0.000 0.250 331 T C 1.111 175.838 174.700 0.045 0.000 1.060 331 T CA 0.334 62.428 62.100 -0.010 0.000 1.040 331 T CB 0.380 69.257 68.868 0.015 0.000 0.971 331 T HN 0.396 nan 8.240 nan 0.000 0.497 332 G N 1.462 110.302 108.800 0.068 0.000 2.752 332 G HA2 -0.174 3.788 3.960 0.003 0.000 0.234 332 G HA3 -0.174 3.788 3.960 0.003 0.000 0.234 332 G C -0.737 174.251 174.900 0.147 0.000 1.367 332 G CA -0.103 45.072 45.100 0.126 0.000 0.879 332 G HN 0.920 nan 8.290 nan 0.000 0.563 333 H N 0.338 119.433 119.070 0.042 0.000 2.638 333 H HA 0.628 5.187 4.556 0.004 0.000 0.303 333 H C 1.249 176.538 175.328 -0.064 0.000 1.034 333 H CA -0.161 55.836 56.048 -0.085 0.000 1.225 333 H CB 0.750 30.340 29.762 -0.285 0.000 1.394 333 H HN 0.862 nan 8.280 nan 0.000 0.477 334 S N 4.753 120.510 115.700 0.096 0.000 2.622 334 S HA 0.196 4.668 4.470 0.003 0.000 0.236 334 S C 1.174 175.712 174.600 -0.102 0.000 0.956 334 S CA -0.048 58.143 58.200 -0.016 0.000 0.971 334 S CB -0.566 62.650 63.200 0.027 0.000 0.782 334 S HN 0.734 nan 8.310 nan 0.000 0.468 335 L N -0.082 120.925 121.223 -0.359 0.000 4.932 335 L HA -0.360 3.981 4.340 0.003 0.000 0.053 335 L C 2.320 179.158 176.870 -0.055 0.000 3.391 335 L CA 1.537 56.158 54.840 -0.366 0.000 1.344 335 L CB -1.994 39.869 42.059 -0.327 0.000 3.088 335 L HN 0.446 nan 8.230 nan 0.000 0.942 336 G N -1.142 107.653 108.800 -0.008 0.000 2.450 336 G HA2 -0.054 3.907 3.960 0.003 0.000 0.220 336 G HA3 -0.054 3.907 3.960 0.003 0.000 0.220 336 G C 1.297 176.222 174.900 0.041 0.000 1.130 336 G CA 1.525 46.651 45.100 0.043 0.000 0.760 336 G HN 0.867 nan 8.290 nan 0.000 0.557 337 A N -0.473 122.365 122.820 0.031 0.000 2.169 337 A HA 0.235 4.557 4.320 0.003 0.000 0.212 337 A C 2.359 179.935 177.584 -0.013 0.000 1.153 337 A CA 1.765 53.809 52.037 0.012 0.000 0.756 337 A CB -0.393 18.616 19.000 0.014 0.000 0.813 337 A HN 0.241 nan 8.150 nan 0.000 0.471 338 T N 0.010 114.579 114.554 0.025 0.000 2.684 338 T HA -0.093 4.259 4.350 0.003 0.000 0.267 338 T C 2.005 176.680 174.700 -0.043 0.000 1.036 338 T CA 1.762 63.880 62.100 0.029 0.000 1.148 338 T CB -0.481 68.471 68.868 0.140 0.000 0.863 338 T HN 0.569 nan 8.240 nan 0.000 0.436 339 G N 0.536 109.321 108.800 -0.025 0.000 2.459 339 G HA2 -0.188 3.774 3.960 0.003 0.000 0.217 339 G HA3 -0.188 3.774 3.960 0.003 0.000 0.217 339 G C 1.735 176.582 174.900 -0.088 0.000 1.183 339 G CA 0.976 46.046 45.100 -0.050 0.000 0.776 339 G HN 0.444 nan 8.290 nan 0.000 0.552 340 V N 0.258 120.117 119.914 -0.091 0.000 2.358 340 V HA -0.166 3.956 4.120 0.003 0.000 0.246 340 V C 2.762 178.698 176.094 -0.264 0.000 1.047 340 V CA 2.651 64.871 62.300 -0.134 0.000 1.035 340 V CB -0.338 31.428 31.823 -0.094 0.000 0.658 340 V HN 0.527 nan 8.190 nan 0.000 0.452 341 Q N -0.448 119.163 119.800 -0.315 0.000 2.096 341 Q HA -0.262 4.080 4.340 0.003 0.000 0.204 341 Q C 2.200 177.581 176.000 -1.032 0.000 0.982 341 Q CA 2.258 57.681 55.803 -0.633 0.000 0.850 341 Q CB -0.178 28.265 28.738 -0.491 0.000 0.901 341 Q HN 0.729 nan 8.270 nan 0.000 0.422 342 E N 0.302 120.172 120.200 -0.550 0.000 2.150 342 E HA -0.149 4.202 4.350 0.003 0.000 0.193 342 E C 1.955 178.417 176.600 -0.230 0.000 0.985 342 E CA 0.712 56.934 56.400 -0.295 0.000 0.814 342 E CB -0.082 29.579 29.700 -0.065 0.000 0.752 342 E HN 0.342 nan 8.360 nan 0.000 0.466 343 A N 1.264 123.931 122.820 -0.254 0.000 1.908 343 A HA -0.194 4.128 4.320 0.003 0.000 0.218 343 A C 2.158 179.462 177.584 -0.467 0.000 1.181 343 A CA 1.159 52.983 52.037 -0.356 0.000 0.627 343 A CB -0.552 18.280 19.000 -0.280 0.000 0.818 343 A HN 0.139 nan 8.150 nan 0.000 0.445 344 I N -1.648 118.658 120.570 -0.440 0.000 2.202 344 I HA -0.248 3.924 4.170 0.003 0.000 0.242 344 I C 2.375 178.350 176.117 -0.237 0.000 1.091 344 I CA 1.228 62.298 61.300 -0.383 0.000 1.368 344 I CB -0.483 37.289 38.000 -0.380 0.000 1.058 344 I HN 0.380 nan 8.210 nan 0.000 0.410 345 Y N 0.920 121.125 120.300 -0.158 0.000 2.165 345 Y HA -0.225 4.327 4.550 0.002 0.000 0.286 345 Y C 2.949 178.750 175.900 -0.165 0.000 1.155 345 Y CA 0.988 59.007 58.100 -0.135 0.000 1.164 345 Y CB -1.454 36.956 38.460 -0.083 0.000 0.978 345 Y HN 0.111 nan 8.280 nan 0.000 0.513 346 S N 0.038 115.748 115.700 0.017 0.000 2.368 346 S HA -0.124 4.348 4.470 0.003 0.000 0.224 346 S C 2.151 176.675 174.600 -0.126 0.000 1.029 346 S CA 1.132 59.334 58.200 0.004 0.000 0.988 346 S CB -0.616 62.633 63.200 0.081 0.000 0.838 346 S HN 0.352 nan 8.310 nan 0.000 0.462 347 L N 0.849 121.940 121.223 -0.219 0.000 2.141 347 L HA -0.020 4.322 4.340 0.003 0.000 0.209 347 L C 2.112 178.913 176.870 -0.116 0.000 1.094 347 L CA 0.827 55.551 54.840 -0.194 0.000 0.763 347 L CB -0.467 41.417 42.059 -0.291 0.000 0.908 347 L HN 0.280 nan 8.230 nan 0.000 0.437 348 L N -1.225 119.919 121.223 -0.131 0.000 2.109 348 L HA -0.167 4.175 4.340 0.003 0.000 0.207 348 L C 2.605 179.342 176.870 -0.222 0.000 1.086 348 L CA 1.051 55.831 54.840 -0.100 0.000 0.760 348 L CB -0.306 41.724 42.059 -0.048 0.000 0.910 348 L HN 0.277 nan 8.230 nan 0.000 0.437 349 M N -1.044 118.328 119.600 -0.380 0.000 2.117 349 M HA -0.269 4.213 4.480 0.003 0.000 0.262 349 M C 2.431 178.459 176.300 -0.454 0.000 1.065 349 M CA 1.886 56.745 55.300 -0.735 0.000 1.114 349 M CB -0.290 31.834 32.600 -0.793 0.000 1.361 349 M HN 0.285 nan 8.290 nan 0.000 0.408 350 M N 0.148 119.598 119.600 -0.249 0.000 2.108 350 M HA -0.286 4.196 4.480 0.003 0.000 0.261 350 M C 2.225 178.475 176.300 -0.083 0.000 1.066 350 M CA 1.870 57.092 55.300 -0.129 0.000 1.107 350 M CB -0.227 32.340 32.600 -0.054 0.000 1.356 350 M HN 0.237 nan 8.290 nan 0.000 0.406 351 Q N -0.105 119.663 119.800 -0.054 0.000 2.124 351 Q HA -0.178 4.164 4.340 0.003 0.000 0.202 351 Q C 0.836 176.836 176.000 0.001 0.000 0.977 351 Q CA 1.533 57.337 55.803 0.002 0.000 0.850 351 Q CB 0.010 28.787 28.738 0.066 0.000 0.901 351 Q HN 0.601 nan 8.270 nan 0.000 0.429 352 N N 0.225 118.910 118.700 -0.025 0.000 2.230 352 N HA 0.055 4.797 4.740 0.003 0.000 0.202 352 N C -0.816 174.768 175.510 0.125 0.000 1.119 352 N CA 0.327 53.430 53.050 0.088 0.000 0.851 352 N CB 0.429 39.062 38.487 0.243 0.000 0.990 352 N HN 0.300 nan 8.380 nan 0.000 0.497 353 N N 0.227 118.921 118.700 -0.010 0.000 2.740 353 N HA -0.202 4.540 4.740 0.003 0.000 0.248 353 N C -1.131 174.435 175.510 0.094 0.000 1.062 353 N CA 0.544 53.601 53.050 0.013 0.000 0.704 353 N CB -1.640 36.873 38.487 0.043 0.000 0.968 353 N HN 0.394 nan 8.380 nan 0.000 0.547 354 F N -2.052 117.843 119.950 -0.092 0.000 2.645 354 F HA 0.772 5.300 4.527 0.002 0.000 0.310 354 F C -1.153 174.534 175.800 -0.187 0.000 1.102 354 F CA -1.446 56.486 58.000 -0.114 0.000 0.952 354 F CB 1.259 40.200 39.000 -0.098 0.000 1.326 354 F HN -0.170 nan 8.300 nan 0.000 0.456 355 I N 3.285 123.831 120.570 -0.040 0.000 2.378 355 I HA 0.362 4.533 4.170 0.003 0.000 0.291 355 I C 0.043 176.179 176.117 0.033 0.000 0.992 355 I CA -1.006 60.145 61.300 -0.248 0.000 1.154 355 I CB 1.501 39.345 38.000 -0.261 0.000 1.315 355 I HN 1.049 nan 8.210 nan 0.000 0.448 356 C N 3.051 122.354 119.300 0.004 0.000 2.689 356 C HA 0.254 4.716 4.460 0.003 0.000 0.409 356 C C 0.766 175.763 174.990 0.013 0.000 1.293 356 C CA -0.708 58.371 59.018 0.101 0.000 2.136 356 C CB 0.245 28.026 27.740 0.067 0.000 2.719 356 C HN 0.913 nan 8.230 nan 0.000 0.644 357 E N 1.241 121.436 120.200 -0.008 0.000 2.481 357 E HA 0.044 4.395 4.350 0.003 0.000 0.263 357 E C 0.034 176.614 176.600 -0.033 0.000 0.992 357 E CA 0.262 56.646 56.400 -0.028 0.000 0.938 357 E CB 0.530 30.192 29.700 -0.063 0.000 0.933 357 E HN 0.818 nan 8.360 nan 0.000 0.453 358 S N 2.716 118.416 115.700 -0.000 0.000 2.485 358 S HA 0.379 4.851 4.470 0.003 0.000 0.312 358 S C -0.302 174.268 174.600 -0.050 0.000 1.102 358 S CA -0.310 57.901 58.200 0.019 0.000 1.066 358 S CB -0.050 63.224 63.200 0.124 0.000 1.102 358 S HN 0.562 nan 8.310 nan 0.000 0.519 359 A N 3.766 126.478 122.820 -0.180 0.000 2.366 359 A HA 0.456 4.778 4.320 0.003 0.000 0.249 359 A C 0.475 177.859 177.584 -0.332 0.000 1.084 359 A CA 0.073 51.865 52.037 -0.408 0.000 0.794 359 A CB -0.337 18.180 19.000 -0.805 0.000 1.034 359 A HN 1.179 nan 8.150 nan 0.000 0.491 360 H N -1.684 117.368 119.070 -0.030 0.000 2.899 360 H HA -0.143 4.414 4.556 0.002 0.000 0.282 360 H C -0.480 174.826 175.328 -0.037 0.000 1.198 360 H CA 0.580 56.594 56.048 -0.056 0.000 1.140 360 H CB -1.886 27.814 29.762 -0.104 0.000 1.317 360 H HN 0.513 nan 8.280 nan 0.000 0.375 361 I N 1.670 122.284 120.570 0.074 0.000 2.260 361 I HA -0.003 4.169 4.170 0.003 0.000 0.297 361 I C 1.278 177.438 176.117 0.072 0.000 1.143 361 I CA 0.406 61.759 61.300 0.087 0.000 1.271 361 I CB 0.606 38.671 38.000 0.108 0.000 1.461 361 I HN 0.335 nan 8.210 nan 0.000 0.530 362 E N 3.908 124.148 120.200 0.067 0.000 2.122 362 E HA -0.034 4.318 4.350 0.003 0.000 0.190 362 E C 0.548 177.186 176.600 0.063 0.000 0.977 362 E CA 0.651 57.086 56.400 0.059 0.000 0.820 362 E CB 0.425 30.157 29.700 0.053 0.000 0.770 362 E HN 0.552 nan 8.360 nan 0.000 0.462 363 E N 1.060 121.306 120.200 0.076 0.000 2.302 363 E HA 0.164 4.516 4.350 0.003 0.000 0.263 363 E C -1.391 175.265 176.600 0.093 0.000 0.897 363 E CA -0.594 55.850 56.400 0.074 0.000 0.809 363 E CB 1.086 30.826 29.700 0.067 0.000 1.270 363 E HN -0.069 nan 8.360 nan 0.000 0.410 364 L N 4.016 125.297 121.223 0.096 0.000 2.490 364 L HA 0.092 4.434 4.340 0.003 0.000 0.274 364 L C 0.095 177.025 176.870 0.100 0.000 1.201 364 L CA 0.483 55.404 54.840 0.135 0.000 0.869 364 L CB 0.623 42.755 42.059 0.122 0.000 1.123 364 L HN 0.557 nan 8.230 nan 0.000 0.484 365 D N 6.749 127.224 120.400 0.126 0.000 2.434 365 D HA 0.018 4.660 4.640 0.003 0.000 0.252 365 D C -1.737 174.474 176.300 -0.149 0.000 1.185 365 D CA -1.315 52.650 54.000 -0.058 0.000 0.886 365 D CB 1.459 42.130 40.800 -0.216 0.000 1.148 365 D HN 0.402 nan 8.370 nan 0.000 0.483 366 P HA -0.091 nan 4.420 nan 0.000 0.221 366 P C 0.856 178.067 177.300 -0.149 0.000 1.145 366 P CA 0.897 63.942 63.100 -0.092 0.000 0.795 366 P CB 0.099 31.762 31.700 -0.061 0.000 0.775 367 A N -1.399 121.216 122.820 -0.342 0.000 2.125 367 A HA -0.113 4.209 4.320 0.003 0.000 0.219 367 A C 1.136 178.606 177.584 -0.190 0.000 1.156 367 A CA 1.180 53.001 52.037 -0.359 0.000 0.671 367 A CB -1.273 17.385 19.000 -0.570 0.000 0.794 367 A HN 0.129 nan 8.150 nan 0.000 0.459 368 F N -1.514 118.451 119.950 0.026 0.000 2.654 368 F HA 0.446 4.994 4.527 0.034 0.000 0.303 368 F C 2.006 177.786 175.800 -0.033 0.000 1.099 368 F CA -0.754 57.235 58.000 -0.018 0.000 1.270 368 F CB -0.722 38.248 39.000 -0.049 0.000 1.024 368 F HN 0.178 nan 8.300 nan 0.000 0.548 369 A N 0.507 123.391 122.820 0.106 0.000 2.125 369 A HA -0.169 4.153 4.320 0.003 0.000 0.219 369 A C 1.864 179.479 177.584 0.050 0.000 1.156 369 A CA 1.855 53.931 52.037 0.064 0.000 0.671 369 A CB -0.635 18.384 19.000 0.032 0.000 0.794 369 A HN 0.374 nan 8.150 nan 0.000 0.459 370 D N -1.520 118.915 120.400 0.058 0.000 2.340 370 D HA 0.044 4.686 4.640 0.003 0.000 0.220 370 D C 0.441 176.758 176.300 0.028 0.000 1.039 370 D CA 0.174 54.198 54.000 0.041 0.000 0.866 370 D CB -0.151 40.675 40.800 0.045 0.000 0.913 370 D HN 0.212 nan 8.370 nan 0.000 0.523 371 M N 1.188 120.799 119.600 0.018 0.000 2.472 371 M HA 0.306 4.788 4.480 0.003 0.000 0.331 371 M C -2.397 173.868 176.300 -0.059 0.000 1.170 371 M CA -2.760 52.520 55.300 -0.033 0.000 1.009 371 M CB 1.321 33.867 32.600 -0.089 0.000 1.672 371 M HN -0.289 nan 8.290 nan 0.000 0.453 372 P HA 0.270 nan 4.420 nan 0.000 0.218 372 P C -0.350 176.901 177.300 -0.081 0.000 1.793 372 P CA 0.073 63.139 63.100 -0.057 0.000 0.941 372 P CB -0.630 31.044 31.700 -0.045 0.000 1.919 373 I N 0.828 121.330 120.570 -0.115 0.000 2.533 373 I HA 0.013 4.185 4.170 0.003 0.000 0.284 373 I C 0.815 176.914 176.117 -0.029 0.000 1.109 373 I CA -0.455 60.769 61.300 -0.126 0.000 1.412 373 I CB 1.054 38.916 38.000 -0.231 0.000 1.396 373 I HN -0.107 nan 8.210 nan 0.000 0.543 374 V N 8.534 128.453 119.914 0.009 0.000 2.446 374 V HA 0.080 4.202 4.120 0.003 0.000 0.276 374 V C 1.312 177.418 176.094 0.020 0.000 1.030 374 V CA -0.161 62.152 62.300 0.021 0.000 1.033 374 V CB 0.388 32.234 31.823 0.039 0.000 0.993 374 V HN 0.685 nan 8.190 nan 0.000 0.477 375 R N 3.156 123.664 120.500 0.012 0.000 2.265 375 R HA 0.251 4.593 4.340 0.003 0.000 0.194 375 R C 0.571 176.870 176.300 -0.001 0.000 0.931 375 R CA 0.205 56.312 56.100 0.012 0.000 1.032 375 R CB 0.206 30.516 30.300 0.016 0.000 0.980 375 R HN 0.610 nan 8.270 nan 0.000 0.497 376 K N 0.702 121.099 120.400 -0.005 0.000 2.523 376 K HA 0.227 4.549 4.320 0.003 0.000 0.257 376 K C -0.828 175.765 176.600 -0.013 0.000 0.932 376 K CA -0.738 55.540 56.287 -0.015 0.000 0.812 376 K CB 2.457 34.949 32.500 -0.013 0.000 1.326 376 K HN -0.176 nan 8.250 nan 0.000 0.433 377 R N 3.829 124.315 120.500 -0.024 0.000 2.523 377 R HA 0.002 4.344 4.340 0.003 0.000 0.281 377 R C -0.577 175.724 176.300 0.002 0.000 0.969 377 R CA 0.480 56.574 56.100 -0.009 0.000 1.093 377 R CB 0.119 30.383 30.300 -0.059 0.000 0.917 377 R HN 0.477 nan 8.270 nan 0.000 0.408 378 I N 4.853 125.442 120.570 0.032 0.000 2.312 378 I HA 0.147 4.319 4.170 0.003 0.000 0.290 378 I C -0.106 176.047 176.117 0.059 0.000 1.008 378 I CA -0.451 60.865 61.300 0.027 0.000 1.226 378 I CB 1.432 39.441 38.000 0.015 0.000 1.371 378 I HN 0.548 nan 8.210 nan 0.000 0.468 379 D N 4.610 125.031 120.400 0.034 0.000 2.385 379 D HA 0.152 4.794 4.640 0.003 0.000 0.254 379 D C 0.424 176.746 176.300 0.036 0.000 1.053 379 D CA -0.334 53.694 54.000 0.046 0.000 0.992 379 D CB 0.968 41.769 40.800 0.001 0.000 1.145 379 D HN 0.478 nan 8.370 nan 0.000 0.523 380 N N -0.147 118.579 118.700 0.042 0.000 2.727 380 N HA -0.191 4.550 4.740 0.003 0.000 0.249 380 N C -1.315 174.206 175.510 0.018 0.000 1.048 380 N CA 0.286 53.351 53.050 0.025 0.000 0.714 380 N CB -0.949 37.545 38.487 0.012 0.000 0.959 380 N HN 0.194 nan 8.380 nan 0.000 0.544 381 V N 0.758 120.684 119.914 0.019 0.000 2.459 381 V HA 0.573 4.694 4.120 0.003 0.000 0.295 381 V C 0.024 176.115 176.094 -0.006 0.000 1.029 381 V CA -0.689 61.613 62.300 0.003 0.000 0.874 381 V CB 1.773 33.593 31.823 -0.005 0.000 0.985 381 V HN 0.358 nan 8.190 nan 0.000 0.438 382 Q N 6.029 125.826 119.800 -0.004 0.000 2.406 382 Q HA 0.474 4.816 4.340 0.003 0.000 0.242 382 Q C -1.309 174.687 176.000 -0.007 0.000 1.036 382 Q CA 0.046 55.845 55.803 -0.006 0.000 0.904 382 Q CB 0.812 29.549 28.738 -0.002 0.000 1.244 382 Q HN 0.820 nan 8.270 nan 0.000 0.478 383 L N 4.376 125.589 121.223 -0.017 0.000 2.265 383 L HA 0.368 4.710 4.340 0.003 0.000 0.288 383 L C 0.480 177.356 176.870 0.010 0.000 1.058 383 L CA -0.507 54.330 54.840 -0.005 0.000 0.809 383 L CB 0.898 42.937 42.059 -0.034 0.000 1.179 383 L HN 0.703 nan 8.230 nan 0.000 0.429 384 N N 0.488 119.203 118.700 0.026 0.000 2.397 384 N HA 0.098 4.840 4.740 0.003 0.000 0.190 384 N C -0.300 175.243 175.510 0.054 0.000 1.099 384 N CA 0.347 53.417 53.050 0.032 0.000 0.876 384 N CB 1.071 39.571 38.487 0.021 0.000 1.143 384 N HN 0.513 nan 8.380 nan 0.000 0.468 385 T N 0.582 115.175 114.554 0.064 0.000 2.991 385 T HA 0.519 4.871 4.350 0.003 0.000 0.303 385 T C -0.700 174.056 174.700 0.093 0.000 1.015 385 T CA -0.738 61.411 62.100 0.081 0.000 1.007 385 T CB 2.404 71.311 68.868 0.066 0.000 1.034 385 T HN -0.057 nan 8.240 nan 0.000 0.446 386 V N 1.633 121.623 119.914 0.127 0.000 2.789 386 V HA 0.891 5.012 4.120 0.003 0.000 0.311 386 V C -0.954 175.205 176.094 0.107 0.000 1.073 386 V CA -1.115 61.264 62.300 0.133 0.000 0.921 386 V CB 1.870 33.823 31.823 0.217 0.000 1.009 386 V HN 0.915 nan 8.190 nan 0.000 0.426 387 L N 3.341 124.560 121.223 -0.008 0.000 2.346 387 L HA 0.887 5.228 4.340 0.003 0.000 0.276 387 L C -0.222 176.600 176.870 -0.079 0.000 1.006 387 L CA -0.094 54.737 54.840 -0.015 0.000 0.817 387 L CB 2.072 44.124 42.059 -0.010 0.000 1.272 387 L HN 0.993 nan 8.230 nan 0.000 0.421 388 S N 3.759 119.447 115.700 -0.020 0.000 2.647 388 S HA 0.568 5.040 4.470 0.003 0.000 0.300 388 S C -1.068 173.465 174.600 -0.111 0.000 1.129 388 S CA -0.829 57.332 58.200 -0.065 0.000 1.029 388 S CB 0.861 64.072 63.200 0.018 0.000 1.007 388 S HN 0.742 nan 8.310 nan 0.000 0.484 389 N N 2.160 120.727 118.700 -0.222 0.000 2.487 389 N HA 0.550 5.292 4.740 0.003 0.000 0.292 389 N C -1.190 174.010 175.510 -0.517 0.000 1.108 389 N CA -0.371 52.389 53.050 -0.482 0.000 0.956 389 N CB 1.810 39.824 38.487 -0.788 0.000 1.176 389 N HN 0.476 nan 8.380 nan 0.000 0.484 390 S N 1.117 116.448 115.700 -0.615 0.000 2.677 390 S HA 0.555 5.026 4.470 0.003 0.000 0.283 390 S C -1.425 172.905 174.600 -0.450 0.000 1.159 390 S CA -0.556 57.419 58.200 -0.376 0.000 1.001 390 S CB 0.502 63.625 63.200 -0.128 0.000 1.032 390 S HN 0.285 nan 8.310 nan 0.000 0.487 391 F N 1.857 121.506 119.950 -0.502 0.000 2.513 391 F HA 0.574 5.103 4.527 0.002 0.000 0.358 391 F C 0.756 176.292 175.800 -0.440 0.000 1.118 391 F CA -1.028 56.690 58.000 -0.469 0.000 1.037 391 F CB 1.215 39.934 39.000 -0.469 0.000 1.276 391 F HN 0.627 nan 8.300 nan 0.000 0.446 392 G N 1.664 110.530 108.800 0.110 0.000 2.488 392 G HA2 0.473 4.435 3.960 0.003 0.000 0.318 392 G HA3 0.473 4.435 3.960 0.003 0.000 0.318 392 G C -0.422 174.692 174.900 0.356 0.000 1.188 392 G CA -0.696 44.526 45.100 0.203 0.000 0.944 392 G HN 0.414 nan 8.290 nan 0.000 0.495 393 F N -0.082 119.963 119.950 0.159 0.000 2.628 393 F HA 0.225 4.753 4.527 0.002 0.000 0.362 393 F C 1.709 177.577 175.800 0.113 0.000 1.148 393 F CA 1.223 59.310 58.000 0.145 0.000 1.352 393 F CB 0.759 39.859 39.000 0.165 0.000 1.081 393 F HN 0.811 nan 8.300 nan 0.000 0.605 394 G N 1.590 110.517 108.800 0.212 0.000 2.143 394 G HA2 -0.099 3.863 3.960 0.003 0.000 0.249 394 G HA3 -0.099 3.863 3.960 0.003 0.000 0.249 394 G C 0.665 175.637 174.900 0.119 0.000 0.981 394 G CA 0.165 45.343 45.100 0.130 0.000 0.665 394 G HN 1.794 nan 8.290 nan 0.000 0.528 395 G N -1.201 107.680 108.800 0.136 0.000 2.273 395 G HA2 0.068 4.029 3.960 0.003 0.000 0.280 395 G HA3 0.068 4.029 3.960 0.003 0.000 0.280 395 G C 0.377 175.348 174.900 0.120 0.000 1.047 395 G CA 1.385 46.553 45.100 0.114 0.000 0.869 395 G HN 1.993 nan 8.290 nan 0.000 0.502 396 T N -0.308 114.348 114.554 0.171 0.000 2.767 396 T HA 0.582 4.933 4.350 0.003 0.000 0.284 396 T C 0.206 175.071 174.700 0.276 0.000 0.973 396 T CA -0.392 61.840 62.100 0.219 0.000 0.996 396 T CB 0.266 69.281 68.868 0.245 0.000 0.927 396 T HN 0.440 nan 8.240 nan 0.000 0.456 397 N N 2.688 121.562 118.700 0.291 0.000 2.284 397 N HA 0.719 5.461 4.740 0.003 0.000 0.300 397 N C -1.361 174.298 175.510 0.249 0.000 1.047 397 N CA -0.910 52.350 53.050 0.349 0.000 0.821 397 N CB 1.998 40.605 38.487 0.199 0.000 1.337 397 N HN 0.723 nan 8.380 nan 0.000 0.482 398 A N 1.304 124.190 122.820 0.110 0.000 2.455 398 A HA 0.750 5.072 4.320 0.003 0.000 0.300 398 A C -0.997 176.587 177.584 0.001 0.000 1.040 398 A CA -0.542 51.454 52.037 -0.069 0.000 0.697 398 A CB 1.393 20.053 19.000 -0.566 0.000 1.265 398 A HN 0.461 nan 8.150 nan 0.000 0.407 399 T N 2.338 116.944 114.554 0.087 0.000 2.886 399 T HA 0.648 5.000 4.350 0.003 0.000 0.292 399 T C -0.754 173.998 174.700 0.086 0.000 1.012 399 T CA -0.254 61.880 62.100 0.056 0.000 0.982 399 T CB 0.982 69.911 68.868 0.102 0.000 1.018 399 T HN 0.505 nan 8.240 nan 0.000 0.451 400 L N 2.399 123.616 121.223 -0.009 0.000 2.362 400 L HA 0.814 5.156 4.340 0.003 0.000 0.271 400 L C -0.897 175.851 176.870 -0.203 0.000 1.002 400 L CA -1.163 53.582 54.840 -0.159 0.000 0.818 400 L CB 2.166 44.063 42.059 -0.269 0.000 1.298 400 L HN 0.332 nan 8.230 nan 0.000 0.420 401 V N 2.293 121.993 119.914 -0.357 0.000 2.487 401 V HA 0.497 4.618 4.120 0.003 0.000 0.298 401 V C -0.804 175.015 176.094 -0.459 0.000 1.028 401 V CA -0.487 61.673 62.300 -0.234 0.000 0.860 401 V CB 1.699 33.470 31.823 -0.086 0.000 0.991 401 V HN 0.386 nan 8.190 nan 0.000 0.427 402 F N 2.614 122.534 119.950 -0.051 0.000 2.522 402 F HA 0.703 5.231 4.527 0.002 0.000 0.324 402 F C 0.157 175.953 175.800 -0.007 0.000 1.077 402 F CA -0.485 57.486 58.000 -0.047 0.000 0.944 402 F CB 1.951 40.925 39.000 -0.042 0.000 1.175 402 F HN 0.402 nan 8.300 nan 0.000 0.468 403 Q N 2.131 122.044 119.800 0.189 0.000 2.372 403 Q HA 0.375 4.717 4.340 0.003 0.000 0.273 403 Q C -0.721 175.362 176.000 0.138 0.000 1.078 403 Q CA -1.140 54.741 55.803 0.129 0.000 0.806 403 Q CB 2.168 30.957 28.738 0.085 0.000 1.332 403 Q HN 0.700 nan 8.270 nan 0.000 0.435 404 R N 2.613 123.172 120.500 0.100 0.000 2.484 404 R HA -0.018 4.323 4.340 0.003 0.000 0.293 404 R C -1.244 175.118 176.300 0.104 0.000 1.023 404 R CA 0.091 56.245 56.100 0.090 0.000 1.037 404 R CB 0.319 30.644 30.300 0.043 0.000 0.951 404 R HN 0.626 nan 8.270 nan 0.000 0.418 405 Y N 4.336 124.642 120.300 0.010 0.000 2.436 405 Y HA 0.063 4.614 4.550 0.003 0.000 0.343 405 Y C -0.200 175.697 175.900 -0.006 0.000 1.008 405 Y CA 0.352 58.454 58.100 0.004 0.000 1.241 405 Y CB 0.956 39.415 38.460 -0.002 0.000 1.153 405 Y HN 0.636 nan 8.280 nan 0.000 0.521 406 Q N 5.207 124.656 119.800 -0.586 0.000 2.115 406 Q HA 0.384 4.726 4.340 0.003 0.000 0.249 406 Q C 0.157 175.789 176.000 -0.614 0.000 0.830 406 Q CA 0.086 55.600 55.803 -0.481 0.000 1.104 406 Q CB 0.918 29.526 28.738 -0.217 0.000 1.207 406 Q HN 1.055 nan 8.270 nan 0.000 0.464 407 G N 0.000 108.070 108.800 -1.217 0.000 5.446 407 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 407 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 407 G CA 0.000 44.733 45.100 -0.612 0.000 0.502 407 G HN 0.000 nan 8.290 nan 0.000 0.925