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 2jjb_1_D DATA FIRST_RESID 35 DATA SEQUENCE VTPQPPDILL GPLFNDVQNA KLFPDQKTFA DAVPNSDPLM ILADYRMQQN DATA SEQUENCE QXGFDLRHFV NVNFTLPKXX XKYVPPEGQS LREHIDGLWP VLTRSTENTE DATA SEQUENCE KWDSLLPLPE PYVVPGGRFR EVYYWDSYFT MLGLAESGHW DKVADMVANF DATA SEQUENCE AHEIDTYGHI PNGNRSYYLS RSQPPFFALM VELLAQHEGD AALKQYLPQM DATA SEQUENCE QKEYAYWMDG VENLQAGQQE KRVVKLQDGT LLNRYWDDRD TPRPESWVED DATA SEQUENCE IATAKSNPNR PATEIYRDLR SAAASGWDFS SRWMDNPQQL NTLRTTSIVP DATA SEQUENCE VDLNSLMFKM EKILARASKA AGDNAMANQY ETLANARQKG IEKYLWNDQQ DATA SEQUENCE GWYADYDLKS HKVRNQLTAA ALFPLYVNAA AKDRANKMAT ATKTHLLQPG DATA SEQUENCE GLNTTSVKSG QQWDAPNGWA PLQWVATEGL QNYGQKEVAM DISWHFLTNV DATA SEQUENCE QHTYDREKKL VEKYDVSTTX XXXXXXXYPL QDGFGWTNGV TLKMLDLIcP DATA SEQUENCE KEQPcDNVPA TR 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 35 V HA 0.000 nan 4.120 nan 0.000 0.244 35 V C 0.000 176.092 176.094 -0.003 0.000 1.182 35 V CA 0.000 62.280 62.300 -0.033 0.000 1.235 35 V CB 0.000 31.786 31.823 -0.062 0.000 1.184 36 T N 7.860 122.420 114.554 0.010 0.000 3.016 36 T HA 0.433 4.782 4.350 -0.000 0.000 0.335 36 T C -2.779 171.933 174.700 0.021 0.000 1.176 36 T CA -1.097 61.017 62.100 0.022 0.000 0.987 36 T CB 0.885 69.769 68.868 0.028 0.000 1.073 36 T HN 0.571 nan 8.240 nan 0.000 0.547 37 P HA 0.152 nan 4.420 nan 0.000 0.262 37 P C -0.364 176.924 177.300 -0.020 0.000 1.199 37 P CA 0.063 63.154 63.100 -0.016 0.000 0.763 37 P CB 0.367 32.035 31.700 -0.053 0.000 0.790 38 Q N 5.116 124.911 119.800 -0.008 0.000 2.365 38 Q HA 0.447 4.787 4.340 -0.000 0.000 0.269 38 Q C -2.284 173.684 176.000 -0.053 0.000 1.061 38 Q CA -2.265 53.526 55.803 -0.020 0.000 0.816 38 Q CB 1.689 30.428 28.738 0.002 0.000 1.325 38 Q HN 0.336 nan 8.270 nan 0.000 0.446 39 P HA 0.053 nan 4.420 nan 0.000 0.272 39 P C -2.284 174.879 177.300 -0.227 0.000 1.240 39 P CA -1.334 61.698 63.100 -0.112 0.000 0.791 39 P CB 0.380 32.035 31.700 -0.075 0.000 0.978 40 P HA -0.182 nan 4.420 nan 0.000 0.218 40 P C 1.163 177.975 177.300 -0.813 0.000 1.148 40 P CA 1.566 64.304 63.100 -0.603 0.000 0.822 40 P CB -0.220 30.968 31.700 -0.854 0.000 0.784 41 D N -0.739 119.049 120.400 -1.019 0.000 2.178 41 D HA -0.138 4.501 4.640 -0.000 0.000 0.202 41 D C 1.647 177.809 176.300 -0.230 0.000 0.974 41 D CA 1.171 54.761 54.000 -0.685 0.000 0.841 41 D CB -0.767 39.728 40.800 -0.509 0.000 0.953 41 D HN 0.098 nan 8.370 nan 0.000 0.478 42 I N 0.873 121.340 120.570 -0.173 0.000 2.333 42 I HA -0.068 4.102 4.170 -0.000 0.000 0.246 42 I C 2.745 178.832 176.117 -0.050 0.000 1.106 42 I CA 0.271 61.533 61.300 -0.063 0.000 1.411 42 I CB -1.021 36.957 38.000 -0.037 0.000 1.082 42 I HN 0.047 nan 8.210 nan 0.000 0.420 43 L N 0.012 121.187 121.223 -0.080 0.000 2.017 43 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 43 L C 2.264 179.119 176.870 -0.025 0.000 1.073 43 L CA 1.479 56.293 54.840 -0.043 0.000 0.745 43 L CB -0.343 41.691 42.059 -0.041 0.000 0.894 43 L HN 0.202 nan 8.230 nan 0.000 0.432 44 L N -1.399 119.816 121.223 -0.014 0.000 2.585 44 L HA 0.237 4.577 4.340 -0.000 0.000 0.226 44 L C 1.394 178.321 176.870 0.096 0.000 1.113 44 L CA 0.193 55.079 54.840 0.077 0.000 0.876 44 L CB -0.196 41.972 42.059 0.182 0.000 1.072 44 L HN 0.395 nan 8.230 nan 0.000 0.468 45 G N 1.369 110.205 108.800 0.060 0.000 2.582 45 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.288 45 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.288 45 G C -1.742 173.231 174.900 0.122 0.000 1.247 45 G CA 0.147 45.299 45.100 0.086 0.000 0.972 45 G HN 0.170 nan 8.290 nan 0.000 0.557 46 P HA 0.031 nan 4.420 nan 0.000 0.222 46 P C 2.131 179.527 177.300 0.161 0.000 1.147 46 P CA 1.082 64.282 63.100 0.167 0.000 0.790 46 P CB -0.041 31.762 31.700 0.172 0.000 0.780 47 L N -1.085 120.222 121.223 0.140 0.000 2.042 47 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 47 L C 2.149 179.000 176.870 -0.031 0.000 1.076 47 L CA 1.822 56.608 54.840 -0.090 0.000 0.749 47 L CB -1.465 40.498 42.059 -0.160 0.000 0.893 47 L HN -0.116 nan 8.230 nan 0.000 0.432 48 F N 0.658 120.567 119.950 -0.069 0.000 2.095 48 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 48 F C 2.435 178.039 175.800 -0.326 0.000 1.104 48 F CA 2.104 60.029 58.000 -0.126 0.000 1.232 48 F CB -0.564 38.261 39.000 -0.292 0.000 0.987 48 F HN 0.406 nan 8.300 nan 0.000 0.475 49 N N 0.250 118.804 118.700 -0.243 0.000 2.069 49 N HA -0.218 4.522 4.740 -0.000 0.000 0.191 49 N C 1.500 176.956 175.510 -0.089 0.000 1.031 49 N CA 2.099 55.057 53.050 -0.154 0.000 0.852 49 N CB -0.436 38.205 38.487 0.256 0.000 1.018 49 N HN 0.229 nan 8.380 nan 0.000 0.423 50 D N -0.578 119.789 120.400 -0.056 0.000 2.117 50 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 50 D C 2.026 178.228 176.300 -0.165 0.000 0.987 50 D CA 0.831 54.812 54.000 -0.032 0.000 0.829 50 D CB -0.397 40.450 40.800 0.077 0.000 0.961 50 D HN 0.141 nan 8.370 nan 0.000 0.460 51 V N 1.193 120.900 119.914 -0.346 0.000 2.427 51 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 51 V C 2.479 178.308 176.094 -0.443 0.000 1.051 51 V CA 1.324 63.305 62.300 -0.531 0.000 1.048 51 V CB -0.348 30.824 31.823 -1.084 0.000 0.666 51 V HN 0.163 nan 8.190 nan 0.000 0.456 52 Q N 0.084 119.605 119.800 -0.465 0.000 2.046 52 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 52 Q C 2.211 178.170 176.000 -0.068 0.000 0.975 52 Q CA 1.289 56.911 55.803 -0.301 0.000 0.836 52 Q CB -0.623 27.825 28.738 -0.483 0.000 0.896 52 Q HN 0.615 nan 8.270 nan 0.000 0.428 53 N N 1.057 119.752 118.700 -0.007 0.000 2.205 53 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 53 N C 1.538 177.041 175.510 -0.011 0.000 1.015 53 N CA 1.342 54.422 53.050 0.050 0.000 0.862 53 N CB -0.260 38.279 38.487 0.087 0.000 0.986 53 N HN 0.247 nan 8.380 nan 0.000 0.429 54 A N 0.873 123.649 122.820 -0.073 0.000 2.168 54 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 54 A C 0.566 178.079 177.584 -0.119 0.000 1.152 54 A CA 0.347 52.326 52.037 -0.097 0.000 0.716 54 A CB -0.329 18.588 19.000 -0.139 0.000 0.794 54 A HN 0.338 nan 8.150 nan 0.000 0.465 55 K N -0.989 119.343 120.400 -0.112 0.000 3.278 55 K HA -0.200 4.120 4.320 -0.000 0.000 0.270 55 K C 0.375 176.858 176.600 -0.196 0.000 0.955 55 K CA 0.617 56.846 56.287 -0.096 0.000 0.723 55 K CB -2.056 30.423 32.500 -0.035 0.000 1.382 55 K HN 0.556 nan 8.250 nan 0.000 0.461 56 L N -0.652 120.340 121.223 -0.386 0.000 2.191 56 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 56 L C 0.743 177.111 176.870 -0.837 0.000 1.103 56 L CA 1.154 55.574 54.840 -0.700 0.000 0.769 56 L CB -0.174 41.229 42.059 -1.094 0.000 0.908 56 L HN 0.166 nan 8.230 nan 0.000 0.438 57 F N -1.171 118.730 119.950 -0.082 0.000 2.520 57 F HA 0.357 4.884 4.527 -0.000 0.000 0.322 57 F C -1.410 174.379 175.800 -0.018 0.000 1.103 57 F CA -2.333 55.643 58.000 -0.040 0.000 0.926 57 F CB 0.373 39.355 39.000 -0.030 0.000 1.154 57 F HN -0.294 nan 8.300 nan 0.000 0.453 58 P HA -0.078 nan 4.420 nan 0.000 0.233 58 P C -0.312 177.061 177.300 0.121 0.000 1.167 58 P CA 0.996 64.160 63.100 0.106 0.000 0.770 58 P CB 0.469 32.221 31.700 0.086 0.000 0.837 59 D N -0.237 120.247 120.400 0.139 0.000 2.391 59 D HA 0.095 4.735 4.640 -0.000 0.000 0.245 59 D C 1.055 177.422 176.300 0.112 0.000 1.069 59 D CA -0.444 53.624 54.000 0.113 0.000 0.831 59 D CB 1.464 42.304 40.800 0.066 0.000 1.204 59 D HN -0.246 nan 8.370 nan 0.000 0.503 60 Q N 2.436 122.302 119.800 0.111 0.000 2.291 60 Q HA -0.116 4.224 4.340 -0.000 0.000 0.205 60 Q C 1.333 177.365 176.000 0.053 0.000 0.970 60 Q CA 0.742 56.607 55.803 0.103 0.000 0.876 60 Q CB 0.191 29.016 28.738 0.146 0.000 0.935 60 Q HN 0.529 nan 8.270 nan 0.000 0.455 61 K N 0.290 120.701 120.400 0.020 0.000 2.283 61 K HA -0.074 4.246 4.320 -0.000 0.000 0.202 61 K C 1.800 178.367 176.600 -0.055 0.000 1.048 61 K CA 1.102 57.364 56.287 -0.042 0.000 0.948 61 K CB 0.229 32.709 32.500 -0.034 0.000 0.742 61 K HN 0.043 nan 8.250 nan 0.000 0.458 62 T N 0.648 115.167 114.554 -0.059 0.000 2.652 62 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 62 T C 1.292 175.857 174.700 -0.225 0.000 1.039 62 T CA 1.498 63.496 62.100 -0.170 0.000 1.153 62 T CB -0.357 68.360 68.868 -0.251 0.000 0.863 62 T HN 0.250 nan 8.240 nan 0.000 0.428 63 F N 1.786 121.527 119.950 -0.347 0.000 2.407 63 F HA 0.260 4.787 4.527 -0.000 0.000 0.299 63 F C 2.320 178.071 175.800 -0.083 0.000 1.097 63 F CA 0.125 57.933 58.000 -0.320 0.000 1.422 63 F CB -0.602 38.237 39.000 -0.270 0.000 1.067 63 F HN 0.128 nan 8.300 nan 0.000 0.539 64 A N -0.443 122.365 122.820 -0.021 0.000 2.019 64 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 64 A C 1.602 179.161 177.584 -0.042 0.000 1.164 64 A CA 1.939 53.949 52.037 -0.046 0.000 0.644 64 A CB -0.647 18.175 19.000 -0.297 0.000 0.805 64 A HN 0.343 nan 8.150 nan 0.000 0.449 65 D N -0.232 120.135 120.400 -0.055 0.000 2.328 65 D HA 0.347 4.987 4.640 -0.000 0.000 0.221 65 D C 0.632 176.877 176.300 -0.091 0.000 1.072 65 D CA 0.606 54.594 54.000 -0.019 0.000 0.850 65 D CB -0.068 40.738 40.800 0.009 0.000 0.922 65 D HN 0.424 nan 8.370 nan 0.000 0.516 66 A N 0.539 123.229 122.820 -0.217 0.000 2.462 66 A HA 0.325 4.645 4.320 -0.000 0.000 0.243 66 A C 0.262 177.843 177.584 -0.005 0.000 1.076 66 A CA -0.187 51.747 52.037 -0.172 0.000 0.773 66 A CB 0.579 19.310 19.000 -0.448 0.000 1.010 66 A HN 0.002 nan 8.150 nan 0.000 0.493 67 V N 5.072 125.057 119.914 0.117 0.000 2.370 67 V HA 0.287 4.407 4.120 -0.000 0.000 0.279 67 V C -2.279 173.931 176.094 0.195 0.000 1.029 67 V CA -1.613 60.773 62.300 0.143 0.000 0.870 67 V CB 1.249 33.124 31.823 0.085 0.000 0.984 67 V HN 0.752 nan 8.190 nan 0.000 0.451 68 P HA 0.157 nan 4.420 nan 0.000 0.268 68 P C 0.317 177.514 177.300 -0.171 0.000 1.204 68 P CA 0.044 62.997 63.100 -0.246 0.000 0.768 68 P CB 0.530 32.105 31.700 -0.207 0.000 0.842 69 N N 0.080 118.582 118.700 -0.329 0.000 2.463 69 N HA -0.012 4.728 4.740 -0.000 0.000 0.181 69 N C 0.546 175.987 175.510 -0.116 0.000 1.078 69 N CA 0.617 53.571 53.050 -0.160 0.000 0.902 69 N CB 0.009 38.387 38.487 -0.182 0.000 0.970 69 N HN 0.506 nan 8.380 nan 0.000 0.451 70 S N -1.510 114.035 115.700 -0.257 0.000 2.790 70 S HA 0.189 4.659 4.470 -0.000 0.000 0.292 70 S C -1.098 173.001 174.600 -0.835 0.000 1.197 70 S CA -0.959 57.073 58.200 -0.279 0.000 0.851 70 S CB 1.549 64.615 63.200 -0.224 0.000 1.217 70 S HN -0.088 nan 8.310 nan 0.000 0.526 71 D N 1.934 121.735 120.400 -1.000 0.000 2.451 71 D HA 0.222 4.861 4.640 -0.000 0.000 0.254 71 D C -1.533 174.244 176.300 -0.873 0.000 1.204 71 D CA -1.386 51.767 54.000 -1.411 0.000 0.896 71 D CB 0.975 41.438 40.800 -0.562 0.000 1.136 71 D HN 0.137 nan 8.370 nan 0.000 0.499 72 P HA -0.129 nan 4.420 nan 0.000 0.218 72 P C 1.742 178.904 177.300 -0.229 0.000 1.148 72 P CA 0.533 63.370 63.100 -0.437 0.000 0.822 72 P CB 0.164 31.663 31.700 -0.335 0.000 0.784 73 L N -1.650 119.437 121.223 -0.226 0.000 2.042 73 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 73 L C 2.104 178.931 176.870 -0.071 0.000 1.076 73 L CA 1.811 56.593 54.840 -0.097 0.000 0.749 73 L CB -0.493 41.526 42.059 -0.067 0.000 0.893 73 L HN -0.089 nan 8.230 nan 0.000 0.432 74 M N -0.773 118.755 119.600 -0.121 0.000 2.254 74 M HA -0.123 4.357 4.480 -0.000 0.000 0.265 74 M C 2.284 178.570 176.300 -0.023 0.000 1.066 74 M CA 1.522 56.780 55.300 -0.070 0.000 1.123 74 M CB -0.846 31.697 32.600 -0.095 0.000 1.388 74 M HN 0.319 nan 8.290 nan 0.000 0.425 75 I N -0.030 120.503 120.570 -0.062 0.000 2.252 75 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 75 I C 2.491 178.763 176.117 0.258 0.000 1.102 75 I CA 0.893 62.227 61.300 0.056 0.000 1.385 75 I CB -0.386 37.552 38.000 -0.102 0.000 1.064 75 I HN 0.227 nan 8.210 nan 0.000 0.414 76 L N 0.786 122.107 121.223 0.163 0.000 2.042 76 L HA -0.249 4.090 4.340 -0.000 0.000 0.210 76 L C 2.742 179.716 176.870 0.173 0.000 1.076 76 L CA 1.948 56.911 54.840 0.205 0.000 0.749 76 L CB -0.398 41.736 42.059 0.125 0.000 0.893 76 L HN 0.274 nan 8.230 nan 0.000 0.432 77 A N -0.662 122.217 122.820 0.100 0.000 1.898 77 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 77 A C 1.943 179.567 177.584 0.065 0.000 1.181 77 A CA 1.746 53.817 52.037 0.056 0.000 0.620 77 A CB -0.653 18.364 19.000 0.029 0.000 0.819 77 A HN 0.497 nan 8.150 nan 0.000 0.442 78 D N -1.443 119.038 120.400 0.136 0.000 2.116 78 D HA -0.219 4.421 4.640 -0.000 0.000 0.193 78 D C 1.721 178.112 176.300 0.152 0.000 0.998 78 D CA 1.698 55.817 54.000 0.199 0.000 0.836 78 D CB -0.388 40.606 40.800 0.324 0.000 0.951 78 D HN 0.472 nan 8.370 nan 0.000 0.449 79 Y N 1.387 121.674 120.300 -0.022 0.000 2.097 79 Y HA -0.194 4.356 4.550 -0.000 0.000 0.282 79 Y C 2.181 177.811 175.900 -0.451 0.000 1.152 79 Y CA 1.744 59.544 58.100 -0.501 0.000 1.136 79 Y CB -0.281 37.964 38.460 -0.359 0.000 0.975 79 Y HN -0.125 nan 8.280 nan 0.000 0.498 80 R N -0.156 120.133 120.500 -0.351 0.000 2.105 80 R HA -0.194 4.146 4.340 -0.000 0.000 0.239 80 R C 2.448 178.544 176.300 -0.340 0.000 1.135 80 R CA 1.548 57.408 56.100 -0.400 0.000 0.967 80 R CB -1.168 29.020 30.300 -0.187 0.000 0.861 80 R HN 0.464 nan 8.270 nan 0.000 0.442 81 M N 1.004 120.474 119.600 -0.218 0.000 2.067 81 M HA -0.179 4.301 4.480 -0.000 0.000 0.260 81 M C 1.741 177.916 176.300 -0.209 0.000 1.069 81 M CA 1.819 57.027 55.300 -0.154 0.000 1.117 81 M CB -0.366 32.198 32.600 -0.061 0.000 1.334 81 M HN 0.148 nan 8.290 nan 0.000 0.407 82 Q N -0.457 119.185 119.800 -0.264 0.000 2.224 82 Q HA -0.187 4.153 4.340 -0.000 0.000 0.203 82 Q C 1.980 177.631 176.000 -0.581 0.000 0.970 82 Q CA 1.227 56.868 55.803 -0.270 0.000 0.865 82 Q CB -0.133 28.553 28.738 -0.086 0.000 0.922 82 Q HN 0.659 nan 8.270 nan 0.000 0.445 83 Q N 0.360 119.590 119.800 -0.950 0.000 2.124 83 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 83 Q C 1.264 177.024 176.000 -0.401 0.000 0.977 83 Q CA 0.746 56.024 55.803 -0.875 0.000 0.850 83 Q CB 0.071 28.259 28.738 -0.916 0.000 0.901 83 Q HN 0.357 nan 8.270 nan 0.000 0.429 84 N N 0.381 118.894 118.700 -0.312 0.000 2.434 84 N HA 0.008 4.748 4.740 -0.000 0.000 0.196 84 N C -0.125 175.320 175.510 -0.108 0.000 1.183 84 N CA 0.430 53.374 53.050 -0.177 0.000 0.849 84 N CB 0.437 38.831 38.487 -0.154 0.000 0.992 84 N HN 0.352 nan 8.380 nan 0.000 0.460 88 F N 1.579 121.537 119.950 0.015 0.000 2.467 88 F HA 0.542 5.069 4.527 -0.000 0.000 0.362 88 F C -0.115 175.714 175.800 0.049 0.000 1.090 88 F CA -0.345 57.673 58.000 0.030 0.000 1.202 88 F CB 1.117 40.104 39.000 -0.021 0.000 1.113 88 F HN 0.137 nan 8.300 nan 0.000 0.541 89 D N 6.081 126.063 120.400 -0.698 0.000 2.453 89 D HA 0.152 4.792 4.640 -0.000 0.000 0.238 89 D C 0.671 176.524 176.300 -0.745 0.000 1.088 89 D CA -0.524 53.154 54.000 -0.535 0.000 0.854 89 D CB 1.217 41.903 40.800 -0.190 0.000 1.076 89 D HN 0.587 nan 8.370 nan 0.000 0.533 90 L N 4.643 125.473 121.223 -0.655 0.000 2.012 90 L HA -0.064 4.275 4.340 -0.000 0.000 0.210 90 L C 2.198 178.994 176.870 -0.122 0.000 1.073 90 L CA 1.799 56.448 54.840 -0.318 0.000 0.748 90 L CB -0.375 41.649 42.059 -0.058 0.000 0.891 90 L HN 0.500 nan 8.230 nan 0.000 0.431 91 R N -1.780 118.635 120.500 -0.141 0.000 2.083 91 R HA -0.281 4.059 4.340 -0.000 0.000 0.237 91 R C 2.479 178.792 176.300 0.020 0.000 1.137 91 R CA 1.905 57.947 56.100 -0.096 0.000 0.951 91 R CB -0.487 29.741 30.300 -0.119 0.000 0.851 91 R HN 0.585 nan 8.270 nan 0.000 0.434 92 H N -0.432 118.594 119.070 -0.074 0.000 2.321 92 H HA -0.172 4.384 4.556 -0.000 0.000 0.300 92 H C 1.665 177.027 175.328 0.055 0.000 1.087 92 H CA 2.132 58.169 56.048 -0.019 0.000 1.319 92 H CB -0.549 29.190 29.762 -0.039 0.000 1.379 92 H HN 0.268 nan 8.280 nan 0.000 0.501 93 F N 0.241 120.106 119.950 -0.142 0.000 2.091 93 F HA -0.250 4.277 4.527 -0.000 0.000 0.299 93 F C 2.408 178.239 175.800 0.052 0.000 1.103 93 F CA 1.759 59.736 58.000 -0.040 0.000 1.228 93 F CB -0.735 38.359 39.000 0.156 0.000 0.984 93 F HN 0.059 nan 8.300 nan 0.000 0.477 94 V N 0.902 120.933 119.914 0.195 0.000 2.287 94 V HA -0.376 3.744 4.120 -0.000 0.000 0.248 94 V C 2.232 178.457 176.094 0.219 0.000 1.053 94 V CA 2.274 64.727 62.300 0.254 0.000 1.027 94 V CB -0.886 31.002 31.823 0.109 0.000 0.646 94 V HN 0.391 nan 8.190 nan 0.000 0.447 95 N N 0.613 119.370 118.700 0.094 0.000 2.149 95 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 95 N C 1.718 177.219 175.510 -0.015 0.000 1.019 95 N CA 1.853 54.952 53.050 0.081 0.000 0.857 95 N CB -0.405 38.137 38.487 0.090 0.000 0.997 95 N HN 0.601 nan 8.380 nan 0.000 0.426 96 V N -2.349 117.458 119.914 -0.178 0.000 3.623 96 V HA 0.242 4.362 4.120 -0.000 0.000 0.271 96 V C 1.018 176.951 176.094 -0.269 0.000 1.248 96 V CA 0.888 63.051 62.300 -0.228 0.000 1.156 96 V CB -0.108 31.509 31.823 -0.344 0.000 0.870 96 V HN 0.101 nan 8.190 nan 0.000 0.453 97 N N -0.549 117.971 118.700 -0.300 0.000 2.181 97 N HA 0.340 5.079 4.740 -0.000 0.000 0.207 97 N C -0.655 174.442 175.510 -0.689 0.000 1.182 97 N CA 0.259 52.988 53.050 -0.535 0.000 0.893 97 N CB 1.016 39.011 38.487 -0.820 0.000 1.032 97 N HN 0.561 nan 8.380 nan 0.000 0.513 98 F N -0.080 119.838 119.950 -0.053 0.000 2.599 98 F HA 0.346 4.873 4.527 -0.000 0.000 0.311 98 F C 0.065 175.872 175.800 0.011 0.000 1.076 98 F CA -0.758 57.247 58.000 0.007 0.000 0.937 98 F CB 1.796 40.864 39.000 0.113 0.000 1.282 98 F HN -0.410 nan 8.300 nan 0.000 0.460 99 T N 3.729 118.398 114.554 0.191 0.000 2.767 99 T HA 0.615 4.965 4.350 -0.000 0.000 0.284 99 T C -0.234 174.523 174.700 0.095 0.000 0.973 99 T CA -0.474 61.693 62.100 0.112 0.000 0.996 99 T CB 0.537 69.444 68.868 0.064 0.000 0.927 99 T HN 0.274 nan 8.240 nan 0.000 0.456 100 L N 4.329 125.587 121.223 0.058 0.000 2.399 100 L HA 0.474 4.814 4.340 -0.000 0.000 0.265 100 L C -1.820 175.031 176.870 -0.032 0.000 1.089 100 L CA -2.353 52.471 54.840 -0.026 0.000 0.802 100 L CB 0.116 42.133 42.059 -0.069 0.000 1.180 100 L HN 0.382 nan 8.230 nan 0.000 0.454 101 P HA 0.052 nan 4.420 nan 0.000 0.266 101 P C -0.383 176.905 177.300 -0.020 0.000 1.195 101 P CA -0.312 62.765 63.100 -0.038 0.000 0.768 101 P CB 0.428 32.096 31.700 -0.054 0.000 0.838 107 Y N 1.789 122.097 120.300 0.014 0.000 2.442 107 Y HA 0.505 5.055 4.550 -0.000 0.000 0.330 107 Y C -0.096 175.814 175.900 0.017 0.000 1.129 107 Y CA -0.316 57.788 58.100 0.008 0.000 1.365 107 Y CB 1.216 39.679 38.460 0.004 0.000 1.233 107 Y HN 0.403 nan 8.280 nan 0.000 0.529 108 V N 9.749 129.379 119.914 -0.474 0.000 2.305 108 V HA 0.283 4.402 4.120 -0.000 0.000 0.275 108 V C -1.981 173.711 176.094 -0.669 0.000 1.020 108 V CA -1.569 60.465 62.300 -0.444 0.000 0.811 108 V CB 0.759 32.470 31.823 -0.187 0.000 1.031 108 V HN 0.754 nan 8.190 nan 0.000 0.439 109 P HA 0.365 nan 4.420 nan 0.000 0.274 109 P C -2.553 174.627 177.300 -0.201 0.000 1.246 109 P CA -1.155 61.641 63.100 -0.506 0.000 0.795 109 P CB 0.167 31.719 31.700 -0.246 0.000 1.006 110 P HA 0.172 nan 4.420 nan 0.000 0.272 110 P C -0.145 177.145 177.300 -0.017 0.000 1.230 110 P CA -0.043 63.030 63.100 -0.045 0.000 0.788 110 P CB 0.730 32.421 31.700 -0.015 0.000 0.949 111 E N -0.153 120.038 120.200 -0.015 0.000 2.392 111 E HA 0.341 4.691 4.350 -0.000 0.000 0.259 111 E C 0.968 177.579 176.600 0.017 0.000 1.108 111 E CA 0.095 56.491 56.400 -0.006 0.000 0.916 111 E CB -0.117 29.573 29.700 -0.017 0.000 0.989 111 E HN 0.773 nan 8.360 nan 0.000 0.432 112 G N 1.299 110.112 108.800 0.022 0.000 2.148 112 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.254 112 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.254 112 G C 0.021 174.966 174.900 0.075 0.000 0.981 112 G CA 0.043 45.165 45.100 0.036 0.000 0.670 112 G HN 0.473 nan 8.290 nan 0.000 0.528 113 Q N 1.014 120.886 119.800 0.120 0.000 2.332 113 Q HA 0.457 4.797 4.340 -0.000 0.000 0.263 113 Q C 1.201 177.335 176.000 0.223 0.000 0.979 113 Q CA 0.385 56.286 55.803 0.162 0.000 0.885 113 Q CB 0.860 29.721 28.738 0.205 0.000 1.218 113 Q HN 0.686 nan 8.270 nan 0.000 0.405 114 S N 1.502 117.285 115.700 0.139 0.000 2.606 114 S HA 0.009 4.479 4.470 -0.000 0.000 0.257 114 S C 0.975 175.565 174.600 -0.016 0.000 1.327 114 S CA -0.682 57.585 58.200 0.112 0.000 0.984 114 S CB 0.521 63.747 63.200 0.042 0.000 0.941 114 S HN 0.663 nan 8.310 nan 0.000 0.576 115 L N 0.915 122.025 121.223 -0.188 0.000 1.990 115 L HA -0.097 4.243 4.340 -0.000 0.000 0.213 115 L C 2.838 179.521 176.870 -0.311 0.000 1.072 115 L CA 2.107 56.607 54.840 -0.566 0.000 0.755 115 L CB -0.866 40.953 42.059 -0.400 0.000 0.889 115 L HN 0.900 nan 8.230 nan 0.000 0.432 116 R N -0.553 119.850 120.500 -0.161 0.000 2.083 116 R HA -0.209 4.131 4.340 -0.000 0.000 0.237 116 R C 2.212 178.466 176.300 -0.077 0.000 1.137 116 R CA 2.073 58.111 56.100 -0.103 0.000 0.951 116 R CB -0.274 29.992 30.300 -0.057 0.000 0.851 116 R HN 0.541 nan 8.270 nan 0.000 0.434 117 E N -1.197 118.981 120.200 -0.037 0.000 2.058 117 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 117 E C 1.914 178.502 176.600 -0.020 0.000 0.997 117 E CA 1.724 58.121 56.400 -0.005 0.000 0.801 117 E CB -0.234 29.488 29.700 0.037 0.000 0.746 117 E HN 0.506 nan 8.360 nan 0.000 0.450 118 H N 0.542 119.548 119.070 -0.105 0.000 2.290 118 H HA -0.126 4.430 4.556 -0.000 0.000 0.298 118 H C 1.951 177.162 175.328 -0.195 0.000 1.087 118 H CA 2.003 57.999 56.048 -0.087 0.000 1.291 118 H CB -0.115 29.572 29.762 -0.126 0.000 1.369 118 H HN 0.072 nan 8.280 nan 0.000 0.492 119 I N 0.453 120.890 120.570 -0.221 0.000 2.127 119 I HA -0.280 3.890 4.170 -0.000 0.000 0.241 119 I C 1.928 177.646 176.117 -0.665 0.000 1.075 119 I CA 1.643 62.680 61.300 -0.439 0.000 1.334 119 I CB -0.271 37.535 38.000 -0.323 0.000 1.040 119 I HN 0.359 nan 8.210 nan 0.000 0.405 120 D N 0.765 120.957 120.400 -0.347 0.000 2.178 120 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 120 D C 2.172 178.346 176.300 -0.211 0.000 0.980 120 D CA 1.492 55.376 54.000 -0.194 0.000 0.842 120 D CB -0.459 40.371 40.800 0.051 0.000 0.948 120 D HN 0.427 nan 8.370 nan 0.000 0.472 121 G N 0.051 108.723 108.800 -0.214 0.000 2.484 121 G HA2 -0.111 3.848 3.960 -0.000 0.000 0.218 121 G HA3 -0.111 3.848 3.960 -0.000 0.000 0.218 121 G C 1.606 176.361 174.900 -0.242 0.000 1.130 121 G CA -0.098 44.923 45.100 -0.132 0.000 0.784 121 G HN 0.254 nan 8.290 nan 0.000 0.543 122 L N -0.982 119.942 121.223 -0.498 0.000 2.418 122 L HA 0.121 4.461 4.340 -0.000 0.000 0.218 122 L C 2.422 179.022 176.870 -0.450 0.000 1.125 122 L CA 0.045 54.520 54.840 -0.608 0.000 0.835 122 L CB -0.153 41.473 42.059 -0.722 0.000 0.953 122 L HN 0.392 nan 8.230 nan 0.000 0.454 123 W N 0.785 121.928 121.300 -0.262 0.000 2.318 123 W HA -0.186 4.474 4.660 -0.000 0.000 0.313 123 W C -0.391 175.972 176.519 -0.260 0.000 1.221 123 W CA 0.410 57.583 57.345 -0.286 0.000 1.266 123 W CB -1.728 27.480 29.460 -0.419 0.000 1.150 123 W HN 0.140 nan 8.180 nan 0.000 0.496 124 P HA -0.141 nan 4.420 nan 0.000 0.219 124 P C 1.517 178.754 177.300 -0.104 0.000 1.150 124 P CA 1.480 64.545 63.100 -0.058 0.000 0.814 124 P CB -0.174 31.503 31.700 -0.038 0.000 0.787 125 V N -0.569 119.235 119.914 -0.182 0.000 2.490 125 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 125 V C 2.080 178.062 176.094 -0.187 0.000 1.061 125 V CA 1.516 63.674 62.300 -0.235 0.000 1.064 125 V CB -1.166 30.348 31.823 -0.515 0.000 0.670 125 V HN 0.115 nan 8.190 nan 0.000 0.461 126 L N -0.394 120.733 121.223 -0.160 0.000 2.611 126 L HA 0.123 4.463 4.340 -0.000 0.000 0.229 126 L C 0.628 177.448 176.870 -0.084 0.000 1.137 126 L CA 0.110 54.889 54.840 -0.102 0.000 0.901 126 L CB -0.282 41.737 42.059 -0.066 0.000 1.098 126 L HN 0.261 nan 8.230 nan 0.000 0.456 127 T N 1.036 115.522 114.554 -0.113 0.000 2.845 127 T HA 0.450 4.800 4.350 -0.000 0.000 0.288 127 T C 0.133 174.676 174.700 -0.262 0.000 0.980 127 T CA -0.365 61.631 62.100 -0.173 0.000 1.071 127 T CB 1.499 70.285 68.868 -0.136 0.000 0.941 127 T HN 0.135 nan 8.240 nan 0.000 0.487 128 R N 1.219 121.423 120.500 -0.494 0.000 2.807 128 R HA 0.675 5.015 4.340 -0.000 0.000 0.276 128 R C -0.843 175.069 176.300 -0.646 0.000 0.979 128 R CA -0.770 54.983 56.100 -0.577 0.000 0.928 128 R CB 2.095 31.962 30.300 -0.722 0.000 1.191 128 R HN 0.571 nan 8.270 nan 0.000 0.471 129 S N 0.625 116.123 115.700 -0.337 0.000 2.789 129 S HA 0.273 4.743 4.470 -0.000 0.000 0.286 129 S C -0.860 173.698 174.600 -0.070 0.000 1.153 129 S CA -0.491 57.602 58.200 -0.178 0.000 1.084 129 S CB 0.805 63.937 63.200 -0.115 0.000 1.036 129 S HN 0.648 nan 8.310 nan 0.000 0.484 130 T N 1.809 116.389 114.554 0.042 0.000 3.418 130 T HA 0.428 4.778 4.350 -0.000 0.000 0.315 130 T C 0.410 175.141 174.700 0.050 0.000 1.447 130 T CA -0.635 61.501 62.100 0.060 0.000 1.641 130 T CB 0.585 69.519 68.868 0.109 0.000 0.904 130 T HN 0.576 nan 8.240 nan 0.000 0.640 131 E N 1.740 121.945 120.200 0.007 0.000 2.216 131 E HA 0.055 4.405 4.350 -0.000 0.000 0.192 131 E C 0.275 176.859 176.600 -0.028 0.000 0.988 131 E CA 0.394 56.781 56.400 -0.021 0.000 0.834 131 E CB 0.211 29.889 29.700 -0.036 0.000 0.772 131 E HN 0.556 nan 8.360 nan 0.000 0.479 132 N N 0.815 119.501 118.700 -0.022 0.000 2.352 132 N HA 0.174 4.914 4.740 -0.000 0.000 0.291 132 N C -1.010 174.483 175.510 -0.028 0.000 1.040 132 N CA -0.187 52.844 53.050 -0.032 0.000 0.864 132 N CB 2.152 40.617 38.487 -0.036 0.000 1.440 132 N HN -0.067 nan 8.380 nan 0.000 0.483 133 T N -2.334 112.198 114.554 -0.038 0.000 2.887 133 T HA 0.384 4.734 4.350 -0.000 0.000 0.288 133 T C 0.111 174.776 174.700 -0.058 0.000 1.021 133 T CA -0.644 61.435 62.100 -0.035 0.000 1.000 133 T CB 1.719 70.568 68.868 -0.031 0.000 1.034 133 T HN 0.154 nan 8.240 nan 0.000 0.467 134 E N 1.031 121.204 120.200 -0.044 0.000 2.467 134 E HA 0.091 4.441 4.350 -0.000 0.000 0.264 134 E C 0.377 176.906 176.600 -0.119 0.000 1.020 134 E CA -0.354 56.011 56.400 -0.058 0.000 0.945 134 E CB 0.359 30.058 29.700 -0.001 0.000 0.942 134 E HN 0.680 nan 8.360 nan 0.000 0.449 135 K N 1.139 121.392 120.400 -0.245 0.000 2.511 135 K HA -0.129 4.191 4.320 -0.000 0.000 0.280 135 K C 0.061 176.509 176.600 -0.253 0.000 1.008 135 K CA 0.521 56.473 56.287 -0.558 0.000 1.050 135 K CB 0.078 31.910 32.500 -1.112 0.000 0.889 135 K HN 0.707 nan 8.250 nan 0.000 0.484 136 W N 0.003 121.281 121.300 -0.037 0.000 1.828 136 W HA -0.245 4.415 4.660 -0.000 0.000 0.253 136 W C 0.068 176.560 176.519 -0.044 0.000 1.019 136 W CA 0.387 57.708 57.345 -0.041 0.000 0.447 136 W CB -2.172 27.263 29.460 -0.041 0.000 2.033 136 W HN 0.630 nan 8.180 nan 0.000 1.268 137 D N 1.404 121.860 120.400 0.092 0.000 2.455 137 D HA 0.179 4.819 4.640 -0.000 0.000 0.241 137 D C 1.506 177.802 176.300 -0.007 0.000 1.138 137 D CA 1.319 55.342 54.000 0.038 0.000 0.877 137 D CB 1.187 41.989 40.800 0.003 0.000 1.187 137 D HN 0.033 nan 8.370 nan 0.000 0.451 138 S N 3.199 118.882 115.700 -0.029 0.000 2.453 138 S HA -0.113 4.357 4.470 -0.000 0.000 0.231 138 S C 1.115 175.610 174.600 -0.175 0.000 1.005 138 S CA -0.263 57.876 58.200 -0.102 0.000 0.949 138 S CB -0.031 63.133 63.200 -0.059 0.000 0.774 138 S HN 0.421 nan 8.310 nan 0.000 0.510 139 L N 2.870 124.029 121.223 -0.108 0.000 2.477 139 L HA 0.345 4.684 4.340 -0.000 0.000 0.272 139 L C -0.460 176.354 176.870 -0.092 0.000 1.157 139 L CA -0.040 54.738 54.840 -0.103 0.000 0.889 139 L CB 0.120 42.160 42.059 -0.031 0.000 1.158 139 L HN 0.279 nan 8.230 nan 0.000 0.473 140 L N 7.748 128.899 121.223 -0.120 0.000 2.350 140 L HA 0.485 4.825 4.340 -0.000 0.000 0.275 140 L C -1.931 174.921 176.870 -0.030 0.000 1.099 140 L CA -1.980 52.818 54.840 -0.071 0.000 0.808 140 L CB 0.827 42.828 42.059 -0.096 0.000 1.149 140 L HN 0.522 nan 8.230 nan 0.000 0.442 141 P HA 0.311 nan 4.420 nan 0.000 0.274 141 P C -1.030 176.266 177.300 -0.007 0.000 1.231 141 P CA -0.225 62.877 63.100 0.004 0.000 0.790 141 P CB 1.226 32.924 31.700 -0.002 0.000 0.951 142 L N 3.107 124.304 121.223 -0.044 0.000 2.388 142 L HA 0.387 4.727 4.340 -0.000 0.000 0.264 142 L C -1.429 175.354 176.870 -0.145 0.000 0.998 142 L CA -2.106 52.661 54.840 -0.122 0.000 0.817 142 L CB 2.988 44.925 42.059 -0.203 0.000 1.338 142 L HN 0.178 nan 8.230 nan 0.000 0.414 143 P HA -0.009 nan 4.420 nan 0.000 0.222 143 P C -0.140 177.098 177.300 -0.103 0.000 1.153 143 P CA 1.036 63.996 63.100 -0.234 0.000 0.798 143 P CB 0.619 32.106 31.700 -0.356 0.000 0.796 144 E N -0.463 119.700 120.200 -0.061 0.000 2.320 144 E HA 0.476 4.826 4.350 -0.000 0.000 0.264 144 E C -2.635 174.001 176.600 0.060 0.000 0.923 144 E CA -2.862 53.532 56.400 -0.010 0.000 0.796 144 E CB 0.396 30.089 29.700 -0.012 0.000 1.262 144 E HN -0.051 nan 8.360 nan 0.000 0.428 145 P HA 0.106 nan 4.420 nan 0.000 0.270 145 P C -1.086 176.244 177.300 0.050 0.000 1.223 145 P CA 0.282 63.362 63.100 -0.032 0.000 0.785 145 P CB 0.121 31.774 31.700 -0.078 0.000 0.923 146 Y N -2.023 118.225 120.300 -0.086 0.000 2.544 146 Y HA 0.627 5.177 4.550 -0.000 0.000 0.342 146 Y C -1.306 174.560 175.900 -0.056 0.000 1.062 146 Y CA -1.644 56.400 58.100 -0.093 0.000 1.023 146 Y CB 0.513 38.894 38.460 -0.130 0.000 1.308 146 Y HN -0.036 nan 8.280 nan 0.000 0.457 147 V N 4.184 124.154 119.914 0.093 0.000 2.498 147 V HA 0.507 4.627 4.120 -0.000 0.000 0.279 147 V C 0.394 176.584 176.094 0.160 0.000 1.048 147 V CA -0.534 61.804 62.300 0.062 0.000 0.967 147 V CB 0.915 32.770 31.823 0.055 0.000 0.988 147 V HN 0.838 nan 8.190 nan 0.000 0.473 148 V N 3.372 123.349 119.914 0.106 0.000 2.966 148 V HA 0.542 4.662 4.120 -0.000 0.000 0.317 148 V C -1.933 174.141 176.094 -0.033 0.000 1.070 148 V CA -1.783 60.603 62.300 0.144 0.000 1.008 148 V CB 1.312 33.244 31.823 0.182 0.000 1.070 148 V HN 0.593 nan 8.190 nan 0.000 0.457 149 P HA 0.229 nan 4.420 nan 0.000 0.216 149 P C 0.636 177.526 177.300 -0.683 0.000 1.153 149 P CA 1.926 64.596 63.100 -0.716 0.000 0.848 149 P CB -0.161 30.895 31.700 -1.074 0.000 0.787 150 G N -3.643 105.034 108.800 -0.205 0.000 2.334 150 G HA2 0.392 4.352 3.960 -0.000 0.000 0.566 150 G HA3 0.392 4.352 3.960 -0.000 0.000 0.566 150 G C 0.117 175.126 174.900 0.182 0.000 1.413 150 G CA -0.233 44.862 45.100 -0.007 0.000 0.993 150 G HN 0.435 nan 8.290 nan 0.000 0.642 151 G N 0.808 109.686 108.800 0.131 0.000 2.611 151 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.301 151 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.301 151 G C 1.548 176.416 174.900 -0.054 0.000 1.233 151 G CA 2.035 47.177 45.100 0.069 0.000 0.993 151 G HN 2.268 nan 8.290 nan 0.000 0.553 152 R N 0.183 120.525 120.500 -0.264 0.000 2.285 152 R HA 0.091 4.431 4.340 -0.000 0.000 0.213 152 R C 0.733 176.816 176.300 -0.362 0.000 1.068 152 R CA 1.442 57.313 56.100 -0.382 0.000 1.004 152 R CB -0.318 29.649 30.300 -0.556 0.000 0.873 152 R HN 0.320 nan 8.270 nan 0.000 0.467 153 F N 2.587 122.604 119.950 0.111 0.000 2.567 153 F HA 0.327 4.854 4.527 -0.000 0.000 0.352 153 F C 0.534 176.459 175.800 0.207 0.000 1.229 153 F CA -0.785 57.325 58.000 0.184 0.000 1.228 153 F CB 0.573 39.558 39.000 -0.025 0.000 1.568 153 F HN -0.147 nan 8.300 nan 0.000 0.634 154 R N 2.013 122.697 120.500 0.307 0.000 2.978 154 R HA 0.168 4.508 4.340 -0.000 0.000 0.298 154 R C -0.134 176.316 176.300 0.249 0.000 1.296 154 R CA -0.087 56.135 56.100 0.203 0.000 1.181 154 R CB -0.149 30.219 30.300 0.113 0.000 1.348 154 R HN 0.446 nan 8.270 nan 0.000 0.585 155 E N -1.022 119.389 120.200 0.353 0.000 2.423 155 E HA 0.133 4.483 4.350 -0.000 0.000 0.280 155 E C -1.095 175.666 176.600 0.269 0.000 1.030 155 E CA -0.893 55.670 56.400 0.272 0.000 0.812 155 E CB 0.984 30.734 29.700 0.083 0.000 1.313 155 E HN -0.127 nan 8.360 nan 0.000 0.456 156 V N 1.252 121.202 119.914 0.059 0.000 2.811 156 V HA 0.246 4.366 4.120 -0.000 0.000 0.302 156 V C -1.137 174.931 176.094 -0.043 0.000 1.063 156 V CA 0.156 62.502 62.300 0.076 0.000 1.088 156 V CB -0.010 31.690 31.823 -0.206 0.000 0.982 156 V HN 0.575 nan 8.190 nan 0.000 0.485 157 Y N 5.207 125.624 120.300 0.195 0.000 2.446 157 Y HA 0.347 4.897 4.550 -0.000 0.000 0.345 157 Y C 0.333 176.470 175.900 0.395 0.000 0.984 157 Y CA -0.371 57.848 58.100 0.199 0.000 1.058 157 Y CB 1.292 39.766 38.460 0.023 0.000 1.220 157 Y HN 0.682 nan 8.280 nan 0.000 0.455 158 Y N 3.414 123.915 120.300 0.334 0.000 2.084 158 Y HA -0.233 4.317 4.550 -0.000 0.000 0.279 158 Y C 2.066 178.184 175.900 0.364 0.000 1.119 158 Y CA 1.973 60.212 58.100 0.232 0.000 1.101 158 Y CB -0.749 37.818 38.460 0.178 0.000 0.989 158 Y HN 0.805 nan 8.280 nan 0.000 0.484 159 W N 1.454 122.881 121.300 0.211 0.000 2.388 159 W HA -0.091 4.569 4.660 -0.000 0.000 0.294 159 W C 1.392 178.134 176.519 0.373 0.000 1.212 159 W CA 1.248 58.684 57.345 0.151 0.000 1.271 159 W CB -1.485 28.134 29.460 0.266 0.000 1.126 159 W HN 0.155 nan 8.180 nan 0.000 0.535 160 D N 1.426 121.994 120.400 0.279 0.000 2.149 160 D HA -0.217 4.423 4.640 -0.000 0.000 0.194 160 D C 2.344 178.832 176.300 0.314 0.000 1.001 160 D CA 2.961 57.073 54.000 0.188 0.000 0.849 160 D CB -0.624 40.039 40.800 -0.228 0.000 0.939 160 D HN 0.078 nan 8.370 nan 0.000 0.449 161 S N -0.642 115.264 115.700 0.344 0.000 2.383 161 S HA -0.202 4.268 4.470 -0.000 0.000 0.229 161 S C 1.714 176.458 174.600 0.240 0.000 1.030 161 S CA 0.711 59.121 58.200 0.349 0.000 1.002 161 S CB -0.423 63.148 63.200 0.618 0.000 0.829 161 S HN 0.390 nan 8.310 nan 0.000 0.467 162 Y N 1.472 121.789 120.300 0.028 0.000 2.181 162 Y HA -0.148 4.402 4.550 -0.000 0.000 0.288 162 Y C 1.641 177.363 175.900 -0.296 0.000 1.146 162 Y CA 1.313 59.298 58.100 -0.192 0.000 1.164 162 Y CB -0.516 37.666 38.460 -0.464 0.000 0.982 162 Y HN 0.220 nan 8.280 nan 0.000 0.515 163 F N -0.504 119.384 119.950 -0.104 0.000 2.206 163 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 163 F C 2.436 178.155 175.800 -0.135 0.000 1.090 163 F CA 1.702 59.598 58.000 -0.173 0.000 1.323 163 F CB -1.079 37.907 39.000 -0.022 0.000 1.028 163 F HN -0.094 nan 8.300 nan 0.000 0.492 164 T N 0.138 114.775 114.554 0.137 0.000 2.746 164 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 164 T C 1.991 176.591 174.700 -0.166 0.000 1.039 164 T CA 1.476 63.627 62.100 0.085 0.000 1.142 164 T CB -0.336 68.606 68.868 0.124 0.000 0.866 164 T HN 0.175 nan 8.240 nan 0.000 0.444 165 M N 0.427 119.908 119.600 -0.198 0.000 2.229 165 M HA 0.067 4.546 4.480 -0.000 0.000 0.264 165 M C 2.080 178.134 176.300 -0.411 0.000 1.063 165 M CA 1.135 56.257 55.300 -0.296 0.000 1.114 165 M CB -0.546 31.967 32.600 -0.146 0.000 1.387 165 M HN 0.165 nan 8.290 nan 0.000 0.420 166 L N -0.512 120.438 121.223 -0.456 0.000 2.012 166 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 166 L C 2.616 179.277 176.870 -0.348 0.000 1.073 166 L CA 1.548 56.125 54.840 -0.439 0.000 0.748 166 L CB -1.275 40.473 42.059 -0.518 0.000 0.891 166 L HN 0.436 nan 8.230 nan 0.000 0.431 167 G N -0.333 108.316 108.800 -0.252 0.000 2.402 167 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 167 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 167 G C 1.632 176.370 174.900 -0.270 0.000 1.162 167 G CA 0.435 45.487 45.100 -0.081 0.000 0.777 167 G HN 0.210 nan 8.290 nan 0.000 0.539 168 L N 0.667 121.470 121.223 -0.699 0.000 2.017 168 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 168 L C 3.427 179.888 176.870 -0.683 0.000 1.073 168 L CA 1.122 55.417 54.840 -0.908 0.000 0.745 168 L CB -0.411 41.094 42.059 -0.925 0.000 0.894 168 L HN 0.296 nan 8.230 nan 0.000 0.432 169 A N -0.554 121.778 122.820 -0.813 0.000 1.877 169 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 169 A C 2.309 179.404 177.584 -0.816 0.000 1.186 169 A CA 1.770 53.018 52.037 -1.314 0.000 0.620 169 A CB -0.586 17.593 19.000 -1.368 0.000 0.822 169 A HN 0.413 nan 8.150 nan 0.000 0.443 170 E N 0.767 120.706 120.200 -0.433 0.000 2.130 170 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 170 E C 1.872 178.382 176.600 -0.150 0.000 0.998 170 E CA 1.773 58.051 56.400 -0.203 0.000 0.806 170 E CB -0.186 29.435 29.700 -0.131 0.000 0.738 170 E HN 0.662 nan 8.360 nan 0.000 0.459 171 S N -1.741 113.868 115.700 -0.151 0.000 2.577 171 S HA 0.328 4.798 4.470 -0.000 0.000 0.219 171 S C 1.260 175.707 174.600 -0.255 0.000 0.962 171 S CA 0.516 58.686 58.200 -0.051 0.000 0.921 171 S CB 0.600 63.941 63.200 0.236 0.000 0.789 171 S HN 0.382 nan 8.310 nan 0.000 0.497 172 G N 1.592 110.158 108.800 -0.391 0.000 2.141 172 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.231 172 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.231 172 G C -0.065 174.526 174.900 -0.515 0.000 0.984 172 G CA -0.042 44.819 45.100 -0.398 0.000 0.660 172 G HN 0.661 nan 8.290 nan 0.000 0.525 173 H N -0.584 118.217 119.070 -0.448 0.000 2.680 173 H HA 0.310 4.866 4.556 -0.000 0.000 0.224 173 H C 0.985 176.073 175.328 -0.399 0.000 1.866 173 H CA -0.589 55.242 56.048 -0.361 0.000 1.302 173 H CB -0.340 29.162 29.762 -0.434 0.000 1.709 173 H HN 0.604 nan 8.280 nan 0.000 0.537 174 W N 0.660 121.842 121.300 -0.198 0.000 2.467 174 W HA -0.092 4.568 4.660 -0.000 0.000 0.275 174 W C 1.498 177.950 176.519 -0.112 0.000 1.239 174 W CA 0.216 57.409 57.345 -0.254 0.000 1.266 174 W CB 0.283 29.364 29.460 -0.633 0.000 1.112 174 W HN 0.341 nan 8.180 nan 0.000 0.576 175 D N 0.090 120.571 120.400 0.136 0.000 2.117 175 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 175 D C 1.925 178.258 176.300 0.055 0.000 0.982 175 D CA 1.241 55.304 54.000 0.106 0.000 0.828 175 D CB -0.246 40.605 40.800 0.085 0.000 0.967 175 D HN -0.117 nan 8.370 nan 0.000 0.464 176 K N 0.383 120.780 120.400 -0.004 0.000 2.057 176 K HA -0.063 4.257 4.320 -0.000 0.000 0.207 176 K C 1.854 178.422 176.600 -0.053 0.000 1.049 176 K CA 0.598 56.846 56.287 -0.065 0.000 0.931 176 K CB -0.493 31.899 32.500 -0.180 0.000 0.714 176 K HN -0.019 nan 8.250 nan 0.000 0.440 177 V N 0.743 120.620 119.914 -0.060 0.000 2.287 177 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 177 V C 2.300 178.454 176.094 0.099 0.000 1.053 177 V CA 2.078 64.374 62.300 -0.006 0.000 1.027 177 V CB -0.944 30.867 31.823 -0.020 0.000 0.646 177 V HN 0.455 nan 8.190 nan 0.000 0.447 178 A N -0.356 122.551 122.820 0.146 0.000 1.933 178 A HA -0.264 4.055 4.320 -0.000 0.000 0.218 178 A C 1.998 179.655 177.584 0.121 0.000 1.175 178 A CA 2.027 54.165 52.037 0.167 0.000 0.628 178 A CB -0.640 18.472 19.000 0.188 0.000 0.814 178 A HN 0.538 nan 8.150 nan 0.000 0.444 179 D N -0.480 119.966 120.400 0.076 0.000 2.104 179 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 179 D C 2.011 178.320 176.300 0.015 0.000 0.994 179 D CA 1.526 55.551 54.000 0.042 0.000 0.830 179 D CB -0.272 40.538 40.800 0.018 0.000 0.959 179 D HN 0.505 nan 8.370 nan 0.000 0.452 180 M N -0.338 119.272 119.600 0.017 0.000 2.236 180 M HA -0.082 4.398 4.480 -0.000 0.000 0.266 180 M C 2.257 178.589 176.300 0.053 0.000 1.070 180 M CA 0.434 55.709 55.300 -0.041 0.000 1.137 180 M CB 0.166 32.787 32.600 0.035 0.000 1.378 180 M HN -0.130 nan 8.290 nan 0.000 0.426 181 V N 0.695 120.710 119.914 0.169 0.000 2.287 181 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 181 V C 2.657 178.802 176.094 0.086 0.000 1.053 181 V CA 2.166 64.573 62.300 0.178 0.000 1.027 181 V CB -1.342 30.453 31.823 -0.048 0.000 0.646 181 V HN 0.532 nan 8.190 nan 0.000 0.447 182 A N 0.224 123.090 122.820 0.076 0.000 1.940 182 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 182 A C 2.090 179.715 177.584 0.068 0.000 1.176 182 A CA 2.158 54.279 52.037 0.140 0.000 0.631 182 A CB -0.703 18.388 19.000 0.152 0.000 0.814 182 A HN 0.598 nan 8.150 nan 0.000 0.446 183 N N -0.733 117.932 118.700 -0.059 0.000 2.084 183 N HA -0.112 4.628 4.740 -0.000 0.000 0.190 183 N C 1.346 176.753 175.510 -0.172 0.000 1.030 183 N CA 1.453 54.390 53.050 -0.187 0.000 0.849 183 N CB -0.563 37.684 38.487 -0.401 0.000 1.012 183 N HN 0.476 nan 8.380 nan 0.000 0.423 184 F N 1.277 121.218 119.950 -0.014 0.000 2.186 184 F HA 0.063 4.589 4.527 -0.000 0.000 0.299 184 F C 2.346 177.943 175.800 -0.339 0.000 1.090 184 F CA 0.531 58.432 58.000 -0.165 0.000 1.307 184 F CB -0.878 38.086 39.000 -0.060 0.000 1.019 184 F HN -0.005 nan 8.300 nan 0.000 0.489 185 A N -0.590 122.234 122.820 0.007 0.000 1.902 185 A HA -0.283 4.036 4.320 -0.000 0.000 0.217 185 A C 2.033 179.613 177.584 -0.006 0.000 1.181 185 A CA 2.089 54.122 52.037 -0.006 0.000 0.623 185 A CB -1.282 17.912 19.000 0.324 0.000 0.818 185 A HN 0.502 nan 8.150 nan 0.000 0.443 186 H N -0.036 118.997 119.070 -0.062 0.000 2.352 186 H HA -0.109 4.447 4.556 -0.000 0.000 0.299 186 H C 1.928 177.119 175.328 -0.228 0.000 1.097 186 H CA 2.109 58.085 56.048 -0.120 0.000 1.311 186 H CB -0.086 29.609 29.762 -0.112 0.000 1.377 186 H HN 0.621 nan 8.280 nan 0.000 0.504 187 E N 0.033 120.092 120.200 -0.236 0.000 2.077 187 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 187 E C 2.405 178.795 176.600 -0.349 0.000 0.989 187 E CA 1.295 57.517 56.400 -0.297 0.000 0.800 187 E CB -0.032 29.627 29.700 -0.068 0.000 0.746 187 E HN 0.558 nan 8.360 nan 0.000 0.452 188 I N 1.383 121.769 120.570 -0.306 0.000 2.163 188 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 188 I C 2.282 178.256 176.117 -0.237 0.000 1.085 188 I CA 1.392 62.530 61.300 -0.271 0.000 1.347 188 I CB -0.277 37.559 38.000 -0.272 0.000 1.044 188 I HN 0.066 nan 8.210 nan 0.000 0.408 189 D N 0.328 120.572 120.400 -0.259 0.000 2.144 189 D HA -0.166 4.474 4.640 -0.000 0.000 0.200 189 D C 2.164 178.248 176.300 -0.359 0.000 0.978 189 D CA 1.936 55.790 54.000 -0.244 0.000 0.833 189 D CB 0.132 40.815 40.800 -0.195 0.000 0.961 189 D HN 0.409 nan 8.370 nan 0.000 0.470 190 T N -2.881 111.296 114.554 -0.627 0.000 2.976 190 T HA -0.050 4.300 4.350 -0.000 0.000 0.257 190 T C 1.452 175.736 174.700 -0.692 0.000 1.051 190 T CA 0.559 62.184 62.100 -0.791 0.000 1.141 190 T CB -0.398 67.706 68.868 -1.273 0.000 0.881 190 T HN 0.128 nan 8.240 nan 0.000 0.461 191 Y N 1.059 121.200 120.300 -0.265 0.000 2.462 191 Y HA 0.558 5.108 4.550 -0.000 0.000 0.253 191 Y C 2.195 178.005 175.900 -0.150 0.000 1.095 191 Y CA -0.676 57.280 58.100 -0.240 0.000 1.283 191 Y CB 0.001 38.221 38.460 -0.400 0.000 1.138 191 Y HN 0.396 nan 8.280 nan 0.000 0.522 192 G N 0.129 108.891 108.800 -0.062 0.000 2.195 192 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.246 192 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.246 192 G C 0.047 174.911 174.900 -0.059 0.000 0.984 192 G CA 0.287 45.389 45.100 0.004 0.000 0.633 192 G HN 0.629 nan 8.290 nan 0.000 0.525 193 H N -1.536 117.321 119.070 -0.354 0.000 2.967 193 H HA 0.522 5.078 4.556 -0.000 0.000 0.318 193 H C -1.047 174.011 175.328 -0.451 0.000 1.375 193 H CA -1.229 54.418 56.048 -0.668 0.000 1.132 193 H CB 0.478 29.210 29.762 -1.717 0.000 1.848 193 H HN 0.187 nan 8.280 nan 0.000 0.524 194 I N 3.663 123.926 120.570 -0.511 0.000 2.308 194 I HA 0.157 4.327 4.170 -0.000 0.000 0.293 194 I C -2.065 173.825 176.117 -0.378 0.000 1.078 194 I CA -1.700 59.285 61.300 -0.526 0.000 1.292 194 I CB 1.056 38.497 38.000 -0.933 0.000 1.423 194 I HN 0.244 nan 8.210 nan 0.000 0.493 195 P HA -0.036 nan 4.420 nan 0.000 0.269 195 P C 0.356 177.619 177.300 -0.062 0.000 1.217 195 P CA 0.074 63.063 63.100 -0.186 0.000 0.783 195 P CB 0.738 32.268 31.700 -0.283 0.000 0.898 196 N N 0.133 118.813 118.700 -0.034 0.000 2.096 196 N HA -0.159 4.580 4.740 -0.000 0.000 0.195 196 N C 0.854 176.165 175.510 -0.331 0.000 1.017 196 N CA 1.784 54.727 53.050 -0.177 0.000 0.870 196 N CB -0.145 38.057 38.487 -0.474 0.000 1.024 196 N HN 0.674 nan 8.380 nan 0.000 0.434 197 G N -1.292 107.327 108.800 -0.302 0.000 2.600 197 G HA2 0.126 4.086 3.960 -0.000 0.000 0.293 197 G HA3 0.126 4.086 3.960 -0.000 0.000 0.293 197 G C -1.536 173.305 174.900 -0.099 0.000 1.408 197 G CA -0.615 44.336 45.100 -0.250 0.000 0.782 197 G HN 0.356 nan 8.290 nan 0.000 0.482 198 N N 1.008 119.589 118.700 -0.199 0.000 3.254 198 N HA 0.130 4.870 4.740 -0.000 0.000 0.308 198 N C -0.284 175.058 175.510 -0.281 0.000 1.281 198 N CA -0.033 52.875 53.050 -0.238 0.000 1.212 198 N CB 0.281 38.602 38.487 -0.277 0.000 1.478 198 N HN 0.244 nan 8.380 nan 0.000 0.548 199 R N -0.034 120.231 120.500 -0.392 0.000 2.750 199 R HA 0.209 4.549 4.340 -0.000 0.000 0.281 199 R C 1.120 177.023 176.300 -0.661 0.000 0.972 199 R CA -0.472 55.199 56.100 -0.715 0.000 0.912 199 R CB 1.659 31.040 30.300 -1.531 0.000 1.187 199 R HN 0.407 nan 8.270 nan 0.000 0.464 200 S N 1.344 116.716 115.700 -0.546 0.000 2.383 200 S HA -0.228 4.242 4.470 -0.000 0.000 0.229 200 S C 1.661 176.093 174.600 -0.280 0.000 1.030 200 S CA 1.622 59.616 58.200 -0.344 0.000 1.002 200 S CB -0.578 62.499 63.200 -0.206 0.000 0.829 200 S HN 0.745 nan 8.310 nan 0.000 0.467 201 Y N -1.060 119.094 120.300 -0.243 0.000 2.578 201 Y HA 0.389 4.939 4.550 -0.000 0.000 0.297 201 Y C 1.201 177.048 175.900 -0.087 0.000 1.176 201 Y CA -0.565 57.415 58.100 -0.200 0.000 1.315 201 Y CB -0.757 37.557 38.460 -0.243 0.000 1.031 201 Y HN 0.172 nan 8.280 nan 0.000 0.524 202 Y N -0.105 120.083 120.300 -0.186 0.000 2.467 202 Y HA 0.284 4.834 4.550 -0.000 0.000 0.250 202 Y C 1.693 177.533 175.900 -0.100 0.000 1.155 202 Y CA -1.015 57.027 58.100 -0.097 0.000 1.249 202 Y CB -0.196 38.152 38.460 -0.187 0.000 1.146 202 Y HN 0.235 nan 8.280 nan 0.000 0.524 203 L N -0.187 121.022 121.223 -0.024 0.000 2.201 203 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 203 L C 2.209 179.154 176.870 0.126 0.000 1.105 203 L CA 1.633 56.434 54.840 -0.067 0.000 0.775 203 L CB -0.411 41.521 42.059 -0.213 0.000 0.913 203 L HN 0.219 nan 8.230 nan 0.000 0.440 204 S N -0.104 115.650 115.700 0.090 0.000 2.555 204 S HA -0.023 4.447 4.470 -0.000 0.000 0.230 204 S C 0.768 175.395 174.600 0.045 0.000 0.978 204 S CA -0.288 57.950 58.200 0.062 0.000 0.934 204 S CB -0.234 62.985 63.200 0.032 0.000 0.766 204 S HN 0.542 nan 8.310 nan 0.000 0.533 205 R N -1.480 119.083 120.500 0.105 0.000 2.795 205 R HA 0.759 5.099 4.340 -0.000 0.000 0.268 205 R C -0.364 176.021 176.300 0.143 0.000 1.041 205 R CA -0.759 55.385 56.100 0.073 0.000 0.927 205 R CB 0.898 31.227 30.300 0.049 0.000 1.235 205 R HN -0.020 nan 8.270 nan 0.000 0.463 206 S N -1.138 114.645 115.700 0.139 0.000 3.339 206 S HA 0.476 4.946 4.470 -0.000 0.000 0.221 206 S C -0.737 174.051 174.600 0.314 0.000 1.059 206 S CA -0.475 57.874 58.200 0.248 0.000 1.365 206 S CB 0.937 64.267 63.200 0.217 0.000 1.065 206 S HN 0.597 nan 8.310 nan 0.000 0.618 207 Q N -0.450 119.688 119.800 0.563 0.000 2.869 207 Q HA 0.347 4.687 4.340 -0.000 0.000 0.322 207 Q C -2.947 173.296 176.000 0.404 0.000 0.832 207 Q CA -1.782 54.215 55.803 0.325 0.000 0.791 207 Q CB 1.630 30.518 28.738 0.250 0.000 1.412 207 Q HN 0.277 nan 8.270 nan 0.000 0.483 208 P HA 0.017 nan 4.420 nan 0.000 0.260 208 P C -2.506 174.797 177.300 0.006 0.000 1.185 208 P CA -0.415 62.735 63.100 0.083 0.000 0.763 208 P CB -0.083 31.576 31.700 -0.068 0.000 0.776 209 P HA 0.147 nan 4.420 nan 0.000 0.280 209 P C -0.526 176.629 177.300 -0.241 0.000 1.300 209 P CA 0.182 63.250 63.100 -0.053 0.000 0.785 209 P CB 0.127 31.773 31.700 -0.091 0.000 0.874 210 F N 1.483 121.256 119.950 -0.295 0.000 2.706 210 F HA 0.202 4.728 4.527 -0.000 0.000 0.313 210 F C 1.801 177.639 175.800 0.063 0.000 1.096 210 F CA -0.264 57.647 58.000 -0.148 0.000 1.219 210 F CB -0.014 38.862 39.000 -0.207 0.000 1.051 210 F HN 0.131 nan 8.300 nan 0.000 0.568 211 F N 1.320 121.465 119.950 0.325 0.000 2.171 211 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 211 F C 2.227 178.112 175.800 0.142 0.000 1.090 211 F CA 1.563 59.720 58.000 0.261 0.000 1.293 211 F CB -0.430 38.719 39.000 0.249 0.000 1.013 211 F HN -0.050 nan 8.300 nan 0.000 0.486 212 A N 0.261 123.092 122.820 0.019 0.000 1.933 212 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 212 A C 2.063 179.562 177.584 -0.141 0.000 1.175 212 A CA 1.878 53.834 52.037 -0.134 0.000 0.628 212 A CB -1.093 17.863 19.000 -0.074 0.000 0.814 212 A HN 0.420 nan 8.150 nan 0.000 0.444 213 L N -0.916 120.241 121.223 -0.109 0.000 2.141 213 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 213 L C 2.711 179.665 176.870 0.141 0.000 1.094 213 L CA 1.541 56.329 54.840 -0.086 0.000 0.763 213 L CB -0.567 41.271 42.059 -0.369 0.000 0.908 213 L HN 0.372 nan 8.230 nan 0.000 0.437 214 M N -1.589 118.111 119.600 0.167 0.000 2.117 214 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 214 M C 2.211 178.538 176.300 0.045 0.000 1.065 214 M CA 1.305 56.747 55.300 0.237 0.000 1.114 214 M CB -0.515 32.218 32.600 0.221 0.000 1.361 214 M HN 0.061 nan 8.290 nan 0.000 0.408 215 V N 0.196 120.004 119.914 -0.176 0.000 2.427 215 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 215 V C 2.192 178.287 176.094 0.001 0.000 1.051 215 V CA 1.710 63.919 62.300 -0.152 0.000 1.048 215 V CB -0.750 30.910 31.823 -0.272 0.000 0.666 215 V HN 0.463 nan 8.190 nan 0.000 0.456 216 E N -0.121 120.085 120.200 0.010 0.000 2.077 216 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 216 E C 2.272 178.950 176.600 0.129 0.000 0.989 216 E CA 1.301 57.733 56.400 0.054 0.000 0.800 216 E CB -0.148 29.575 29.700 0.038 0.000 0.746 216 E HN 0.505 nan 8.360 nan 0.000 0.452 217 L N 0.741 122.086 121.223 0.203 0.000 2.012 217 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 217 L C 2.554 179.624 176.870 0.334 0.000 1.073 217 L CA 0.957 55.962 54.840 0.275 0.000 0.748 217 L CB -0.172 42.049 42.059 0.269 0.000 0.891 217 L HN 0.208 nan 8.230 nan 0.000 0.431 218 L N 0.000 121.387 121.223 0.273 0.000 2.191 218 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 218 L C 2.463 179.405 176.870 0.120 0.000 1.103 218 L CA 1.826 56.828 54.840 0.270 0.000 0.769 218 L CB -0.613 41.579 42.059 0.222 0.000 0.908 218 L HN 0.225 nan 8.230 nan 0.000 0.438 219 A N -1.455 121.418 122.820 0.087 0.000 2.066 219 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 219 A C 2.122 179.693 177.584 -0.022 0.000 1.157 219 A CA 1.191 53.240 52.037 0.020 0.000 0.670 219 A CB -0.436 18.578 19.000 0.023 0.000 0.804 219 A HN 0.634 nan 8.150 nan 0.000 0.453 220 Q N -1.923 117.888 119.800 0.019 0.000 2.364 220 Q HA -0.165 4.175 4.340 -0.000 0.000 0.207 220 Q C 1.637 177.531 176.000 -0.176 0.000 0.970 220 Q CA 1.478 57.281 55.803 -0.000 0.000 0.888 220 Q CB -0.090 28.740 28.738 0.154 0.000 0.951 220 Q HN 0.938 nan 8.270 nan 0.000 0.469 221 H N -0.580 118.174 119.070 -0.527 0.000 2.855 221 H HA 0.177 4.733 4.556 -0.000 0.000 0.259 221 H C 0.943 175.994 175.328 -0.460 0.000 0.972 221 H CA 0.529 56.069 56.048 -0.846 0.000 1.213 221 H CB 0.816 29.428 29.762 -1.916 0.000 1.451 221 H HN 0.081 nan 8.280 nan 0.000 0.484 222 E N -0.388 119.620 120.200 -0.321 0.000 2.539 222 E HA 0.242 4.592 4.350 -0.000 0.000 0.215 222 E C 0.856 177.358 176.600 -0.163 0.000 0.965 222 E CA 0.162 56.413 56.400 -0.248 0.000 1.019 222 E CB 1.363 31.006 29.700 -0.095 0.000 1.059 222 E HN 0.508 nan 8.360 nan 0.000 0.496 223 G N 2.297 111.017 108.800 -0.133 0.000 2.569 223 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.259 223 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.259 223 G C 0.198 175.066 174.900 -0.052 0.000 1.263 223 G CA 0.168 45.217 45.100 -0.086 0.000 0.928 223 G HN 0.180 nan 8.290 nan 0.000 0.572 224 D N 0.527 120.900 120.400 -0.046 0.000 2.263 224 D HA 0.116 4.756 4.640 -0.000 0.000 0.208 224 D C 2.677 178.959 176.300 -0.031 0.000 0.971 224 D CA 1.894 55.874 54.000 -0.033 0.000 0.867 224 D CB -0.650 40.130 40.800 -0.033 0.000 0.929 224 D HN 0.884 nan 8.370 nan 0.000 0.492 225 A N 0.772 123.568 122.820 -0.041 0.000 1.978 225 A HA -0.101 4.218 4.320 -0.000 0.000 0.220 225 A C 2.276 179.839 177.584 -0.035 0.000 1.170 225 A CA 2.051 54.062 52.037 -0.044 0.000 0.636 225 A CB -0.477 18.491 19.000 -0.053 0.000 0.810 225 A HN 0.259 nan 8.150 nan 0.000 0.448 226 A N -0.530 122.292 122.820 0.004 0.000 1.898 226 A HA 0.128 4.448 4.320 -0.000 0.000 0.214 226 A C 2.131 179.774 177.584 0.099 0.000 1.183 226 A CA 1.154 53.240 52.037 0.082 0.000 0.622 226 A CB -0.492 18.588 19.000 0.133 0.000 0.824 226 A HN 0.434 nan 8.150 nan 0.000 0.444 227 L N -0.441 120.810 121.223 0.046 0.000 2.046 227 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 227 L C 2.596 179.476 176.870 0.017 0.000 1.077 227 L CA 1.598 56.456 54.840 0.030 0.000 0.747 227 L CB -0.392 41.665 42.059 -0.004 0.000 0.896 227 L HN 0.376 nan 8.230 nan 0.000 0.432 228 K N -0.415 119.979 120.400 -0.010 0.000 2.025 228 K HA -0.234 4.086 4.320 -0.000 0.000 0.207 228 K C 2.092 178.661 176.600 -0.052 0.000 1.049 228 K CA 1.260 57.533 56.287 -0.024 0.000 0.933 228 K CB -0.177 32.303 32.500 -0.034 0.000 0.714 228 K HN 0.311 nan 8.250 nan 0.000 0.438 229 Q N -0.185 119.543 119.800 -0.119 0.000 2.226 229 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 229 Q C 0.585 176.348 176.000 -0.395 0.000 0.975 229 Q CA 1.532 57.151 55.803 -0.307 0.000 0.866 229 Q CB 0.201 28.652 28.738 -0.478 0.000 0.915 229 Q HN 0.378 nan 8.270 nan 0.000 0.440 230 Y N -1.147 119.191 120.300 0.063 0.000 2.557 230 Y HA 0.058 4.608 4.550 -0.000 0.000 0.247 230 Y C 1.161 177.129 175.900 0.112 0.000 1.164 230 Y CA -0.410 57.761 58.100 0.117 0.000 1.218 230 Y CB 0.315 38.842 38.460 0.112 0.000 1.210 230 Y HN 0.109 nan 8.280 nan 0.000 0.529 231 L N 2.202 123.514 121.223 0.149 0.000 2.021 231 L HA -0.129 4.210 4.340 -0.000 0.000 0.215 231 L C -0.910 176.041 176.870 0.135 0.000 1.074 231 L CA 2.316 57.214 54.840 0.096 0.000 0.760 231 L CB -1.432 40.651 42.059 0.040 0.000 0.889 231 L HN -0.019 nan 8.230 nan 0.000 0.433 232 P HA -0.159 nan 4.420 nan 0.000 0.217 232 P C 1.417 178.829 177.300 0.187 0.000 1.150 232 P CA 1.420 64.606 63.100 0.142 0.000 0.832 232 P CB -0.008 31.757 31.700 0.108 0.000 0.787 233 Q N -1.418 118.542 119.800 0.267 0.000 2.123 233 Q HA 0.020 4.360 4.340 -0.000 0.000 0.199 233 Q C 2.231 178.440 176.000 0.348 0.000 0.966 233 Q CA 1.362 57.338 55.803 0.287 0.000 0.845 233 Q CB -0.782 28.187 28.738 0.385 0.000 0.907 233 Q HN 0.252 nan 8.270 nan 0.000 0.439 234 M N -0.150 119.713 119.600 0.438 0.000 2.175 234 M HA -0.203 4.277 4.480 -0.000 0.000 0.264 234 M C 2.045 178.506 176.300 0.269 0.000 1.063 234 M CA 1.425 56.957 55.300 0.387 0.000 1.119 234 M CB -0.210 32.513 32.600 0.205 0.000 1.377 234 M HN 0.260 nan 8.290 nan 0.000 0.415 235 Q N 0.235 120.161 119.800 0.211 0.000 2.020 235 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 235 Q C 2.104 178.283 176.000 0.298 0.000 0.982 235 Q CA 1.495 57.445 55.803 0.244 0.000 0.838 235 Q CB -0.209 28.655 28.738 0.209 0.000 0.899 235 Q HN 0.230 nan 8.270 nan 0.000 0.423 236 K N 1.181 121.717 120.400 0.227 0.000 2.103 236 K HA -0.192 4.127 4.320 -0.000 0.000 0.207 236 K C 1.796 178.535 176.600 0.231 0.000 1.048 236 K CA 1.416 57.816 56.287 0.189 0.000 0.930 236 K CB -0.080 32.490 32.500 0.118 0.000 0.716 236 K HN 0.162 nan 8.250 nan 0.000 0.444 237 E N -1.135 119.225 120.200 0.267 0.000 2.077 237 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 237 E C 1.791 178.733 176.600 0.570 0.000 0.989 237 E CA 1.125 57.746 56.400 0.369 0.000 0.800 237 E CB -0.227 29.701 29.700 0.380 0.000 0.746 237 E HN 0.392 nan 8.360 nan 0.000 0.452 238 Y N 0.987 121.501 120.300 0.356 0.000 2.165 238 Y HA -0.244 4.306 4.550 -0.000 0.000 0.286 238 Y C 2.073 178.148 175.900 0.292 0.000 1.155 238 Y CA 1.542 59.836 58.100 0.324 0.000 1.164 238 Y CB -0.676 37.913 38.460 0.216 0.000 0.978 238 Y HN 0.081 nan 8.280 nan 0.000 0.513 239 A N -0.549 122.411 122.820 0.233 0.000 1.940 239 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 239 A C 2.190 179.820 177.584 0.076 0.000 1.176 239 A CA 1.902 53.996 52.037 0.095 0.000 0.631 239 A CB -1.616 17.465 19.000 0.136 0.000 0.814 239 A HN 0.729 nan 8.150 nan 0.000 0.446 240 Y N -1.227 119.088 120.300 0.026 0.000 2.114 240 Y HA -0.229 4.321 4.550 -0.000 0.000 0.284 240 Y C 2.098 177.914 175.900 -0.141 0.000 1.143 240 Y CA 1.883 59.931 58.100 -0.087 0.000 1.135 240 Y CB -0.615 37.765 38.460 -0.133 0.000 0.980 240 Y HN 0.406 nan 8.280 nan 0.000 0.499 241 W N -0.297 120.946 121.300 -0.094 0.000 2.363 241 W HA -0.201 4.459 4.660 -0.000 0.000 0.296 241 W C 1.921 178.259 176.519 -0.301 0.000 1.212 241 W CA 0.974 58.179 57.345 -0.232 0.000 1.260 241 W CB -0.212 29.237 29.460 -0.018 0.000 1.131 241 W HN 0.079 nan 8.180 nan 0.000 0.530 242 M N -0.071 119.459 119.600 -0.115 0.000 2.495 242 M HA 0.074 4.554 4.480 -0.000 0.000 0.237 242 M C -0.237 175.949 176.300 -0.190 0.000 1.131 242 M CA 0.288 55.458 55.300 -0.217 0.000 1.032 242 M CB -1.618 30.727 32.600 -0.424 0.000 1.513 242 M HN -0.178 nan 8.290 nan 0.000 0.488 243 D N 1.428 121.711 120.400 -0.196 0.000 2.662 243 D HA 0.167 4.807 4.640 -0.000 0.000 0.233 243 D C 1.409 177.606 176.300 -0.171 0.000 1.129 243 D CA 2.137 56.034 54.000 -0.172 0.000 0.851 243 D CB 0.268 40.944 40.800 -0.206 0.000 1.152 243 D HN 0.611 nan 8.370 nan 0.000 0.507 244 G N 2.206 110.930 108.800 -0.126 0.000 2.195 244 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.246 244 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.246 244 G C 1.171 176.005 174.900 -0.109 0.000 0.984 244 G CA 0.301 45.330 45.100 -0.118 0.000 0.633 244 G HN 0.772 nan 8.290 nan 0.000 0.525 245 V N 1.984 121.831 119.914 -0.113 0.000 2.392 245 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 245 V C 2.812 178.863 176.094 -0.071 0.000 1.059 245 V CA 3.084 65.325 62.300 -0.097 0.000 1.051 245 V CB -0.161 31.602 31.823 -0.101 0.000 0.658 245 V HN 0.706 nan 8.190 nan 0.000 0.455 246 E N -0.265 119.898 120.200 -0.061 0.000 2.265 246 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 246 E C 1.123 177.698 176.600 -0.041 0.000 0.996 246 E CA 1.325 57.699 56.400 -0.044 0.000 0.832 246 E CB -0.551 29.128 29.700 -0.035 0.000 0.756 246 E HN 0.673 nan 8.360 nan 0.000 0.491 247 N N 0.403 119.073 118.700 -0.050 0.000 2.184 247 N HA 0.096 4.836 4.740 -0.000 0.000 0.206 247 N C -0.200 175.279 175.510 -0.052 0.000 1.151 247 N CA -0.251 52.772 53.050 -0.045 0.000 0.878 247 N CB 0.650 39.111 38.487 -0.044 0.000 1.014 247 N HN 0.112 nan 8.380 nan 0.000 0.512 248 L N 2.684 123.870 121.223 -0.061 0.000 2.313 248 L HA 0.172 4.512 4.340 -0.000 0.000 0.282 248 L C 0.119 176.957 176.870 -0.053 0.000 1.092 248 L CA -0.023 54.776 54.840 -0.068 0.000 0.831 248 L CB 0.531 42.538 42.059 -0.087 0.000 1.159 248 L HN -0.050 nan 8.230 nan 0.000 0.442 249 Q N 3.730 123.501 119.800 -0.047 0.000 2.299 249 Q HA 0.423 4.763 4.340 -0.000 0.000 0.246 249 Q C -0.098 175.881 176.000 -0.035 0.000 0.935 249 Q CA -0.196 55.586 55.803 -0.036 0.000 0.887 249 Q CB 1.125 29.846 28.738 -0.029 0.000 1.223 249 Q HN 0.828 nan 8.270 nan 0.000 0.439 250 A N 0.535 123.338 122.820 -0.028 0.000 2.511 250 A HA 0.410 4.729 4.320 -0.000 0.000 0.242 250 A C 1.165 178.737 177.584 -0.019 0.000 1.069 250 A CA 0.832 52.854 52.037 -0.026 0.000 0.763 250 A CB -0.445 18.543 19.000 -0.020 0.000 1.001 250 A HN 1.002 nan 8.150 nan 0.000 0.498 251 G N 1.023 109.814 108.800 -0.014 0.000 2.159 251 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.256 251 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.256 251 G C 0.132 175.036 174.900 0.007 0.000 0.977 251 G CA 0.672 45.779 45.100 0.011 0.000 0.652 251 G HN 0.947 nan 8.290 nan 0.000 0.531 252 Q N -0.841 118.947 119.800 -0.021 0.000 2.359 252 Q HA 0.693 5.033 4.340 -0.000 0.000 0.275 252 Q C -0.570 175.389 176.000 -0.069 0.000 1.082 252 Q CA -0.794 54.985 55.803 -0.039 0.000 0.849 252 Q CB 1.377 30.087 28.738 -0.047 0.000 1.377 252 Q HN 0.347 nan 8.270 nan 0.000 0.452 253 Q N 0.643 120.386 119.800 -0.097 0.000 2.394 253 Q HA 0.466 4.806 4.340 -0.000 0.000 0.273 253 Q C -1.653 174.209 176.000 -0.231 0.000 1.089 253 Q CA -0.823 54.886 55.803 -0.156 0.000 0.812 253 Q CB 2.247 30.893 28.738 -0.154 0.000 1.353 253 Q HN 0.498 nan 8.270 nan 0.000 0.438 254 E N 0.103 120.115 120.200 -0.313 0.000 2.321 254 E HA 0.509 4.858 4.350 -0.000 0.000 0.278 254 E C -0.687 175.549 176.600 -0.607 0.000 0.902 254 E CA -0.990 55.157 56.400 -0.422 0.000 0.758 254 E CB 1.519 31.052 29.700 -0.278 0.000 1.213 254 E HN 0.452 nan 8.360 nan 0.000 0.426 255 K N 1.350 121.138 120.400 -1.020 0.000 1.673 255 K HA -0.367 3.953 4.320 -0.000 0.000 0.127 255 K C 0.748 176.806 176.600 -0.903 0.000 1.035 255 K CA 2.188 57.691 56.287 -1.305 0.000 0.314 255 K CB -0.862 31.256 32.500 -0.637 0.000 0.670 255 K HN 0.700 nan 8.250 nan 0.000 0.842 256 R N 0.928 121.140 120.500 -0.481 0.000 2.334 256 R HA 0.191 4.531 4.340 -0.000 0.000 0.216 256 R C -0.196 176.014 176.300 -0.151 0.000 0.905 256 R CA -0.049 55.920 56.100 -0.219 0.000 1.064 256 R CB 0.519 30.705 30.300 -0.190 0.000 1.046 256 R HN 0.082 nan 8.270 nan 0.000 0.508 257 V N 1.367 121.148 119.914 -0.221 0.000 2.581 257 V HA 0.407 4.527 4.120 -0.000 0.000 0.303 257 V C 0.021 176.020 176.094 -0.158 0.000 1.041 257 V CA -1.106 61.100 62.300 -0.157 0.000 0.907 257 V CB 1.812 33.541 31.823 -0.155 0.000 0.994 257 V HN -0.049 nan 8.190 nan 0.000 0.442 258 V N 1.509 121.355 119.914 -0.113 0.000 2.715 258 V HA 0.765 4.885 4.120 -0.000 0.000 0.310 258 V C -0.663 175.377 176.094 -0.090 0.000 1.054 258 V CA -0.826 61.415 62.300 -0.098 0.000 0.928 258 V CB 1.827 33.609 31.823 -0.068 0.000 1.007 258 V HN 0.924 nan 8.190 nan 0.000 0.437 259 K N 4.331 124.682 120.400 -0.082 0.000 2.502 259 K HA 0.600 4.919 4.320 -0.000 0.000 0.254 259 K C -0.947 175.607 176.600 -0.077 0.000 0.947 259 K CA -0.754 55.486 56.287 -0.079 0.000 0.834 259 K CB 1.619 34.081 32.500 -0.064 0.000 1.112 259 K HN 0.904 nan 8.250 nan 0.000 0.427 260 L N 2.827 123.976 121.223 -0.123 0.000 2.475 260 L HA 0.082 4.422 4.340 -0.000 0.000 0.250 260 L C 1.803 178.634 176.870 -0.064 0.000 1.224 260 L CA -0.623 54.136 54.840 -0.134 0.000 0.821 260 L CB 0.452 42.285 42.059 -0.375 0.000 1.141 260 L HN 0.685 nan 8.230 nan 0.000 0.494 261 Q N 1.050 120.835 119.800 -0.024 0.000 2.112 261 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 261 Q C 1.372 177.374 176.000 0.002 0.000 0.987 261 Q CA 1.866 57.667 55.803 -0.004 0.000 0.858 261 Q CB -0.423 28.319 28.738 0.005 0.000 0.905 261 Q HN 0.783 nan 8.270 nan 0.000 0.420 262 D N -1.540 118.870 120.400 0.018 0.000 2.363 262 D HA 0.020 4.660 4.640 -0.000 0.000 0.226 262 D C 1.087 177.399 176.300 0.020 0.000 1.020 262 D CA 0.961 54.984 54.000 0.040 0.000 0.892 262 D CB -0.152 40.708 40.800 0.101 0.000 0.900 262 D HN 0.329 nan 8.370 nan 0.000 0.531 263 G N -0.658 108.136 108.800 -0.010 0.000 2.176 263 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.232 263 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.232 263 G C 0.397 175.283 174.900 -0.024 0.000 0.986 263 G CA 0.157 45.247 45.100 -0.015 0.000 0.643 263 G HN 0.445 nan 8.290 nan 0.000 0.522 264 T N 1.830 116.362 114.554 -0.037 0.000 2.867 264 T HA 0.437 4.787 4.350 -0.000 0.000 0.297 264 T C 0.657 175.311 174.700 -0.077 0.000 0.989 264 T CA 0.316 62.394 62.100 -0.037 0.000 1.159 264 T CB 1.024 69.862 68.868 -0.051 0.000 0.928 264 T HN 0.336 nan 8.240 nan 0.000 0.538 265 L N 4.891 126.094 121.223 -0.033 0.000 2.264 265 L HA 0.553 4.893 4.340 -0.000 0.000 0.289 265 L C -0.115 176.735 176.870 -0.032 0.000 1.044 265 L CA -0.418 54.399 54.840 -0.038 0.000 0.807 265 L CB 0.521 42.571 42.059 -0.016 0.000 1.192 265 L HN 0.428 nan 8.230 nan 0.000 0.425 266 L N 3.088 124.276 121.223 -0.059 0.000 2.303 266 L HA 0.538 4.878 4.340 -0.000 0.000 0.256 266 L C -0.786 176.047 176.870 -0.063 0.000 1.034 266 L CA -0.833 53.976 54.840 -0.051 0.000 0.832 266 L CB 2.436 44.456 42.059 -0.064 0.000 1.403 266 L HN 0.493 nan 8.230 nan 0.000 0.419 267 N N -0.407 118.247 118.700 -0.077 0.000 2.432 267 N HA 0.759 5.499 4.740 -0.000 0.000 0.292 267 N C -1.395 174.039 175.510 -0.127 0.000 1.193 267 N CA -0.897 52.100 53.050 -0.087 0.000 0.878 267 N CB 1.784 40.219 38.487 -0.086 0.000 1.252 267 N HN 0.481 nan 8.380 nan 0.000 0.520 268 R N -0.511 119.927 120.500 -0.103 0.000 2.836 268 R HA 0.470 4.810 4.340 -0.000 0.000 0.269 268 R C -1.507 174.741 176.300 -0.085 0.000 1.010 268 R CA -0.798 55.230 56.100 -0.120 0.000 0.930 268 R CB 0.548 30.840 30.300 -0.015 0.000 1.218 268 R HN 0.349 nan 8.270 nan 0.000 0.473 269 Y N 0.744 121.102 120.300 0.098 0.000 2.319 269 Y HA 0.300 4.850 4.550 -0.000 0.000 0.328 269 Y C -0.234 175.765 175.900 0.166 0.000 1.133 269 Y CA 0.156 58.327 58.100 0.118 0.000 1.265 269 Y CB 1.015 39.436 38.460 -0.065 0.000 1.218 269 Y HN 0.432 nan 8.280 nan 0.000 0.508 270 W N 5.137 126.488 121.300 0.085 0.000 3.405 270 W HA 0.197 4.857 4.660 -0.000 0.000 0.329 270 W C -1.964 174.538 176.519 -0.028 0.000 1.142 270 W CA -0.753 56.581 57.345 -0.018 0.000 1.235 270 W CB 2.033 31.443 29.460 -0.083 0.000 1.341 270 W HN 0.524 nan 8.180 nan 0.000 0.481 271 D N 3.348 123.416 120.400 -0.554 0.000 2.192 271 D HA 0.068 4.708 4.640 -0.000 0.000 0.246 271 D C 0.802 176.694 176.300 -0.679 0.000 1.042 271 D CA -0.039 53.707 54.000 -0.424 0.000 0.847 271 D CB 1.764 42.410 40.800 -0.257 0.000 1.186 271 D HN 0.495 nan 8.370 nan 0.000 0.461 272 D N 2.302 122.545 120.400 -0.261 0.000 2.349 272 D HA -0.029 4.611 4.640 -0.000 0.000 0.224 272 D C 0.245 176.487 176.300 -0.096 0.000 1.029 272 D CA 0.412 54.354 54.000 -0.096 0.000 0.879 272 D CB 0.248 41.098 40.800 0.083 0.000 0.906 272 D HN 0.162 nan 8.370 nan 0.000 0.528 273 R N -0.031 120.384 120.500 -0.142 0.000 2.828 273 R HA 0.416 4.756 4.340 -0.000 0.000 0.264 273 R C -0.663 175.568 176.300 -0.114 0.000 1.022 273 R CA -0.618 55.433 56.100 -0.082 0.000 1.021 273 R CB 0.992 31.274 30.300 -0.030 0.000 1.163 273 R HN 0.049 nan 8.270 nan 0.000 0.494 274 D N -0.628 119.746 120.400 -0.043 0.000 2.895 274 D HA 0.070 4.710 4.640 -0.000 0.000 0.350 274 D C -0.520 175.828 176.300 0.080 0.000 1.389 274 D CA -0.426 53.580 54.000 0.010 0.000 0.812 274 D CB 0.420 41.230 40.800 0.017 0.000 1.164 274 D HN 0.514 nan 8.370 nan 0.000 0.455 275 T N -4.272 110.245 114.554 -0.061 0.000 2.888 275 T HA 0.704 5.054 4.350 -0.000 0.000 0.288 275 T C -3.032 171.256 174.700 -0.686 0.000 1.063 275 T CA -2.384 59.504 62.100 -0.353 0.000 1.010 275 T CB 1.675 70.454 68.868 -0.150 0.000 1.214 275 T HN -0.287 nan 8.240 nan 0.000 0.533 276 P HA 0.262 nan 4.420 nan 0.000 0.269 276 P C -0.440 176.738 177.300 -0.203 0.000 1.209 276 P CA -0.408 62.170 63.100 -0.870 0.000 0.776 276 P CB 0.299 31.173 31.700 -1.376 0.000 0.876 277 R N 4.671 125.175 120.500 0.005 0.000 2.401 277 R HA 0.079 4.419 4.340 -0.000 0.000 0.299 277 R C -1.562 174.935 176.300 0.329 0.000 1.064 277 R CA -1.120 55.083 56.100 0.171 0.000 1.000 277 R CB -0.361 30.057 30.300 0.197 0.000 0.973 277 R HN 0.423 nan 8.270 nan 0.000 0.438 278 P HA -0.260 nan 4.420 nan 0.000 0.216 278 P C 0.960 178.369 177.300 0.182 0.000 1.153 278 P CA 1.301 64.576 63.100 0.291 0.000 0.858 278 P CB 0.192 31.753 31.700 -0.232 0.000 0.789 279 E N -0.847 119.261 120.200 -0.154 0.000 2.427 279 E HA -0.011 4.339 4.350 -0.000 0.000 0.196 279 E C 0.184 176.844 176.600 0.101 0.000 1.028 279 E CA 0.965 57.273 56.400 -0.153 0.000 0.864 279 E CB -0.469 29.051 29.700 -0.300 0.000 0.813 279 E HN 0.111 nan 8.360 nan 0.000 0.514 280 S N 0.692 116.515 115.700 0.204 0.000 2.794 280 S HA 0.116 4.586 4.470 -0.000 0.000 0.244 280 S C 0.197 174.954 174.600 0.261 0.000 1.045 280 S CA -0.829 57.516 58.200 0.243 0.000 1.114 280 S CB -0.403 62.960 63.200 0.272 0.000 1.085 280 S HN 0.359 nan 8.310 nan 0.000 0.488 281 W N 2.430 123.783 121.300 0.087 0.000 2.353 281 W HA -0.216 4.444 4.660 -0.000 0.000 0.319 281 W C 1.911 178.470 176.519 0.065 0.000 1.207 281 W CA 2.236 59.628 57.345 0.078 0.000 1.291 281 W CB -0.513 28.998 29.460 0.085 0.000 1.159 281 W HN 0.337 nan 8.180 nan 0.000 0.478 282 V N 0.017 120.078 119.914 0.245 0.000 2.407 282 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 282 V C 1.917 178.052 176.094 0.067 0.000 1.055 282 V CA 2.462 64.834 62.300 0.120 0.000 1.049 282 V CB -1.152 30.758 31.823 0.144 0.000 0.662 282 V HN 0.070 nan 8.190 nan 0.000 0.455 283 E N 1.101 121.368 120.200 0.111 0.000 2.038 283 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 283 E C 1.999 178.650 176.600 0.085 0.000 1.000 283 E CA 1.988 58.458 56.400 0.115 0.000 0.803 283 E CB -0.495 29.313 29.700 0.181 0.000 0.750 283 E HN 0.673 nan 8.360 nan 0.000 0.448 284 D N -0.020 120.427 120.400 0.078 0.000 2.144 284 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 284 D C 1.983 178.368 176.300 0.142 0.000 0.978 284 D CA 0.720 54.780 54.000 0.101 0.000 0.833 284 D CB -0.192 40.649 40.800 0.069 0.000 0.961 284 D HN 0.174 nan 8.370 nan 0.000 0.470 285 I N 1.157 121.720 120.570 -0.011 0.000 2.163 285 I HA -0.294 3.875 4.170 -0.000 0.000 0.243 285 I C 2.460 178.594 176.117 0.029 0.000 1.085 285 I CA 1.242 62.548 61.300 0.010 0.000 1.347 285 I CB -0.254 37.663 38.000 -0.138 0.000 1.044 285 I HN -0.061 nan 8.210 nan 0.000 0.408 286 A N 0.215 123.045 122.820 0.017 0.000 1.902 286 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 286 A C 2.379 179.963 177.584 -0.001 0.000 1.181 286 A CA 2.486 54.532 52.037 0.014 0.000 0.623 286 A CB -1.129 17.887 19.000 0.027 0.000 0.818 286 A HN 0.405 nan 8.150 nan 0.000 0.443 287 T N 0.329 114.883 114.554 -0.002 0.000 2.652 287 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 287 T C 2.241 176.890 174.700 -0.085 0.000 1.039 287 T CA 1.845 63.919 62.100 -0.042 0.000 1.153 287 T CB -0.505 68.324 68.868 -0.065 0.000 0.863 287 T HN 0.614 nan 8.240 nan 0.000 0.428 288 A N 1.359 124.110 122.820 -0.116 0.000 1.902 288 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 288 A C 2.198 179.695 177.584 -0.146 0.000 1.181 288 A CA 2.012 53.907 52.037 -0.237 0.000 0.623 288 A CB -0.554 18.117 19.000 -0.548 0.000 0.818 288 A HN 0.488 nan 8.150 nan 0.000 0.443 289 K N 0.597 120.950 120.400 -0.078 0.000 2.147 289 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 289 K C 1.986 178.561 176.600 -0.042 0.000 1.049 289 K CA 1.652 57.910 56.287 -0.047 0.000 0.936 289 K CB -0.199 32.291 32.500 -0.017 0.000 0.722 289 K HN 0.591 nan 8.250 nan 0.000 0.446 290 S N -0.201 115.474 115.700 -0.042 0.000 2.555 290 S HA -0.062 4.408 4.470 -0.000 0.000 0.230 290 S C 0.589 175.165 174.600 -0.040 0.000 0.978 290 S CA 0.322 58.502 58.200 -0.032 0.000 0.934 290 S CB -0.074 63.111 63.200 -0.025 0.000 0.766 290 S HN 0.233 nan 8.310 nan 0.000 0.533 291 N N 1.921 120.585 118.700 -0.059 0.000 2.804 291 N HA 0.359 5.099 4.740 -0.000 0.000 0.251 291 N C -2.491 172.980 175.510 -0.065 0.000 1.250 291 N CA -2.089 50.925 53.050 -0.060 0.000 0.820 291 N CB 1.628 40.072 38.487 -0.072 0.000 1.156 291 N HN 0.093 nan 8.380 nan 0.000 0.512 292 P HA 0.068 nan 4.420 nan 0.000 0.245 292 P C 0.144 177.421 177.300 -0.040 0.000 1.212 292 P CA 0.450 63.523 63.100 -0.044 0.000 0.774 292 P CB 0.323 32.005 31.700 -0.029 0.000 0.999 293 N N 0.067 118.743 118.700 -0.039 0.000 2.467 293 N HA 0.038 4.778 4.740 -0.000 0.000 0.184 293 N C 0.504 175.990 175.510 -0.039 0.000 1.106 293 N CA 0.240 53.270 53.050 -0.033 0.000 0.892 293 N CB 0.299 38.770 38.487 -0.026 0.000 0.969 293 N HN 0.245 nan 8.380 nan 0.000 0.454 294 R N 0.837 121.303 120.500 -0.057 0.000 2.686 294 R HA 0.398 4.738 4.340 -0.000 0.000 0.286 294 R C -2.746 173.503 176.300 -0.086 0.000 0.969 294 R CA -1.697 54.363 56.100 -0.067 0.000 0.898 294 R CB 1.637 31.888 30.300 -0.082 0.000 1.183 294 R HN -0.125 nan 8.270 nan 0.000 0.456 295 P HA 0.013 nan 4.420 nan 0.000 0.268 295 P C 0.007 177.215 177.300 -0.154 0.000 1.204 295 P CA 0.162 63.213 63.100 -0.083 0.000 0.768 295 P CB 0.930 32.600 31.700 -0.049 0.000 0.842 296 A N 3.177 125.878 122.820 -0.197 0.000 1.978 296 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 296 A C 1.964 179.235 177.584 -0.522 0.000 1.170 296 A CA 2.348 54.117 52.037 -0.447 0.000 0.636 296 A CB -1.831 16.931 19.000 -0.396 0.000 0.810 296 A HN 0.625 nan 8.150 nan 0.000 0.448 297 T N -1.846 112.618 114.554 -0.151 0.000 2.788 297 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 297 T C 1.707 176.380 174.700 -0.045 0.000 1.044 297 T CA 1.524 63.634 62.100 0.018 0.000 1.139 297 T CB -0.324 68.573 68.868 0.049 0.000 0.867 297 T HN 0.664 nan 8.240 nan 0.000 0.454 298 E N 0.996 121.140 120.200 -0.094 0.000 2.047 298 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 298 E C 2.154 178.684 176.600 -0.116 0.000 0.987 298 E CA 1.068 57.420 56.400 -0.080 0.000 0.799 298 E CB -0.311 29.349 29.700 -0.067 0.000 0.752 298 E HN 0.630 nan 8.360 nan 0.000 0.449 299 I N 0.178 120.625 120.570 -0.205 0.000 2.252 299 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 299 I C 2.007 178.030 176.117 -0.156 0.000 1.102 299 I CA 0.894 62.058 61.300 -0.226 0.000 1.385 299 I CB -0.414 37.386 38.000 -0.333 0.000 1.064 299 I HN 0.198 nan 8.210 nan 0.000 0.414 300 Y N 0.887 121.132 120.300 -0.091 0.000 2.165 300 Y HA -0.272 4.278 4.550 -0.000 0.000 0.286 300 Y C 2.750 178.585 175.900 -0.109 0.000 1.155 300 Y CA 1.369 59.413 58.100 -0.093 0.000 1.164 300 Y CB -1.006 37.397 38.460 -0.096 0.000 0.978 300 Y HN 0.090 nan 8.280 nan 0.000 0.513 301 R N 0.694 121.197 120.500 0.005 0.000 2.091 301 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 301 R C 1.654 177.853 176.300 -0.169 0.000 1.136 301 R CA 2.074 58.075 56.100 -0.165 0.000 0.959 301 R CB -0.527 29.631 30.300 -0.238 0.000 0.856 301 R HN 0.204 nan 8.270 nan 0.000 0.437 302 D N -0.234 120.103 120.400 -0.104 0.000 2.183 302 D HA -0.075 4.565 4.640 -0.000 0.000 0.203 302 D C 1.892 178.160 176.300 -0.055 0.000 0.969 302 D CA 1.002 54.945 54.000 -0.094 0.000 0.842 302 D CB -0.016 40.742 40.800 -0.071 0.000 0.957 302 D HN 0.262 nan 8.370 nan 0.000 0.484 303 L N 0.371 121.598 121.223 0.005 0.000 2.027 303 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 303 L C 2.591 179.599 176.870 0.230 0.000 1.074 303 L CA 1.086 56.014 54.840 0.147 0.000 0.745 303 L CB -0.200 41.927 42.059 0.113 0.000 0.898 303 L HN -0.088 nan 8.230 nan 0.000 0.433 304 R N -0.544 120.013 120.500 0.095 0.000 2.081 304 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 304 R C 2.443 178.715 176.300 -0.047 0.000 1.131 304 R CA 1.633 57.758 56.100 0.040 0.000 0.960 304 R CB -0.390 29.898 30.300 -0.020 0.000 0.856 304 R HN 0.254 nan 8.270 nan 0.000 0.436 305 S N 0.612 116.241 115.700 -0.119 0.000 2.402 305 S HA -0.090 4.380 4.470 -0.000 0.000 0.229 305 S C 1.999 176.435 174.600 -0.274 0.000 1.021 305 S CA 1.059 59.163 58.200 -0.160 0.000 0.974 305 S CB -0.033 63.074 63.200 -0.156 0.000 0.800 305 S HN 0.466 nan 8.310 nan 0.000 0.484 306 A N 1.444 124.100 122.820 -0.273 0.000 1.969 306 A HA 0.231 4.551 4.320 -0.000 0.000 0.218 306 A C 2.306 179.720 177.584 -0.283 0.000 1.169 306 A CA 1.416 53.217 52.037 -0.393 0.000 0.635 306 A CB -0.844 18.122 19.000 -0.057 0.000 0.810 306 A HN 0.496 nan 8.150 nan 0.000 0.445 307 A N 0.005 122.729 122.820 -0.159 0.000 1.898 307 A HA 0.210 4.530 4.320 -0.000 0.000 0.216 307 A C 2.466 179.907 177.584 -0.238 0.000 1.181 307 A CA 1.790 53.720 52.037 -0.178 0.000 0.620 307 A CB -0.966 18.022 19.000 -0.020 0.000 0.819 307 A HN 1.037 nan 8.150 nan 0.000 0.442 308 A N 0.391 123.078 122.820 -0.221 0.000 1.978 308 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 308 A C 2.431 179.631 177.584 -0.640 0.000 1.170 308 A CA 2.284 54.185 52.037 -0.227 0.000 0.636 308 A CB -0.884 18.095 19.000 -0.035 0.000 0.810 308 A HN 1.059 nan 8.150 nan 0.000 0.448 309 S N -2.054 113.056 115.700 -0.982 0.000 2.481 309 S HA 0.303 4.773 4.470 -0.000 0.000 0.231 309 S C 1.662 175.700 174.600 -0.937 0.000 0.996 309 S CA 1.261 58.530 58.200 -1.551 0.000 0.942 309 S CB -0.331 62.264 63.200 -1.008 0.000 0.768 309 S HN 1.929 nan 8.310 nan 0.000 0.520 310 G N 0.086 108.452 108.800 -0.723 0.000 2.299 310 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.237 310 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.237 310 G C -0.105 174.243 174.900 -0.919 0.000 1.027 310 G CA 0.127 44.792 45.100 -0.725 0.000 0.619 310 G HN 0.537 nan 8.290 nan 0.000 0.513 311 W N 3.831 124.554 121.300 -0.961 0.000 1.705 311 W HA 0.507 5.167 4.660 -0.000 0.000 0.361 311 W C -0.059 176.279 176.519 -0.302 0.000 0.690 311 W CA -0.837 55.966 57.345 -0.903 0.000 1.989 311 W CB 0.135 29.517 29.460 -0.130 0.000 1.903 311 W HN 0.324 nan 8.180 nan 0.000 0.364 312 D N 0.674 120.817 120.400 -0.429 0.000 2.456 312 D HA 0.278 4.918 4.640 -0.000 0.000 0.219 312 D C -0.495 175.585 176.300 -0.366 0.000 1.126 312 D CA -0.203 53.337 54.000 -0.766 0.000 0.890 312 D CB 0.350 40.483 40.800 -1.113 0.000 1.025 312 D HN -0.057 nan 8.370 nan 0.000 0.511 313 F N 0.293 120.530 119.950 0.478 0.000 2.664 313 F HA 0.591 5.118 4.527 -0.000 0.000 0.329 313 F C 0.310 176.407 175.800 0.494 0.000 1.090 313 F CA -1.134 57.142 58.000 0.458 0.000 0.978 313 F CB 2.187 41.397 39.000 0.350 0.000 1.378 313 F HN 0.222 nan 8.300 nan 0.000 0.495 314 S N -0.964 115.143 115.700 0.679 0.000 2.533 314 S HA 0.338 4.808 4.470 -0.000 0.000 0.271 314 S C 0.449 175.180 174.600 0.219 0.000 1.143 314 S CA -0.050 58.385 58.200 0.391 0.000 0.891 314 S CB 1.292 64.695 63.200 0.338 0.000 1.105 314 S HN 0.812 nan 8.310 nan 0.000 0.468 315 S N 3.620 119.415 115.700 0.158 0.000 2.423 315 S HA -0.243 4.227 4.470 -0.000 0.000 0.238 315 S C 1.793 176.390 174.600 -0.005 0.000 1.028 315 S CA 1.548 59.800 58.200 0.086 0.000 1.000 315 S CB -0.609 62.634 63.200 0.072 0.000 0.797 315 S HN 0.793 nan 8.310 nan 0.000 0.487 316 R N 0.177 120.584 120.500 -0.155 0.000 2.139 316 R HA -0.125 4.215 4.340 -0.000 0.000 0.243 316 R C 1.375 177.467 176.300 -0.347 0.000 1.145 316 R CA 1.898 57.746 56.100 -0.420 0.000 0.976 316 R CB -0.304 29.484 30.300 -0.854 0.000 0.866 316 R HN 0.726 nan 8.270 nan 0.000 0.449 317 W N -0.408 120.943 121.300 0.086 0.000 3.107 317 W HA 0.285 4.945 4.660 -0.000 0.000 0.293 317 W C 0.198 176.744 176.519 0.046 0.000 1.239 317 W CA -0.970 56.412 57.345 0.062 0.000 1.653 317 W CB 0.382 29.903 29.460 0.102 0.000 1.068 317 W HN -0.105 nan 8.180 nan 0.000 0.615 318 M N 0.952 120.682 119.600 0.217 0.000 2.318 318 M HA 0.144 4.624 4.480 -0.000 0.000 0.347 318 M C 0.532 176.881 176.300 0.083 0.000 1.175 318 M CA -0.242 55.142 55.300 0.140 0.000 1.075 318 M CB 1.319 33.989 32.600 0.116 0.000 1.614 318 M HN -0.197 nan 8.290 nan 0.000 0.456 319 D N 0.933 121.368 120.400 0.059 0.000 2.123 319 D HA -0.040 4.600 4.640 -0.000 0.000 0.200 319 D C 0.343 176.661 176.300 0.030 0.000 0.976 319 D CA 1.439 55.460 54.000 0.035 0.000 0.831 319 D CB 0.142 40.955 40.800 0.021 0.000 0.974 319 D HN 0.453 nan 8.370 nan 0.000 0.469 320 N N 0.460 119.180 118.700 0.032 0.000 2.444 320 N HA 0.112 4.852 4.740 -0.000 0.000 0.262 320 N C -2.258 173.276 175.510 0.042 0.000 0.974 320 N CA -1.944 51.124 53.050 0.030 0.000 0.933 320 N CB 2.144 40.644 38.487 0.022 0.000 1.137 320 N HN -0.165 nan 8.380 nan 0.000 0.498 321 P HA -0.020 nan 4.420 nan 0.000 0.242 321 P C 0.082 177.418 177.300 0.060 0.000 1.197 321 P CA 0.878 64.010 63.100 0.054 0.000 0.765 321 P CB 0.577 32.304 31.700 0.044 0.000 0.936 322 Q N -1.069 118.760 119.800 0.049 0.000 2.217 322 Q HA 0.182 4.522 4.340 -0.000 0.000 0.217 322 Q C 0.199 176.225 176.000 0.043 0.000 0.844 322 Q CA 0.383 56.215 55.803 0.048 0.000 0.957 322 Q CB 0.901 29.662 28.738 0.038 0.000 1.127 322 Q HN 0.345 nan 8.270 nan 0.000 0.503 323 Q N 1.129 120.953 119.800 0.039 0.000 2.397 323 Q HA 0.163 4.503 4.340 -0.000 0.000 0.260 323 Q C 0.686 176.697 176.000 0.017 0.000 1.002 323 Q CA -0.248 55.569 55.803 0.023 0.000 0.716 323 Q CB 2.026 30.772 28.738 0.012 0.000 1.258 323 Q HN 0.122 nan 8.270 nan 0.000 0.477 324 L N 4.158 125.385 121.223 0.006 0.000 2.079 324 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 324 L C 1.472 178.297 176.870 -0.076 0.000 1.081 324 L CA 2.403 57.221 54.840 -0.037 0.000 0.752 324 L CB -0.310 41.693 42.059 -0.094 0.000 0.896 324 L HN 0.617 nan 8.230 nan 0.000 0.433 325 N N -1.339 117.321 118.700 -0.066 0.000 2.635 325 N HA -0.151 4.588 4.740 -0.000 0.000 0.191 325 N C 1.207 176.683 175.510 -0.057 0.000 1.155 325 N CA 1.321 54.324 53.050 -0.078 0.000 0.927 325 N CB -1.240 37.204 38.487 -0.070 0.000 0.976 325 N HN 0.594 nan 8.380 nan 0.000 0.448 326 T N -2.606 111.932 114.554 -0.026 0.000 3.105 326 T HA 0.184 4.534 4.350 -0.000 0.000 0.253 326 T C 0.749 175.459 174.700 0.018 0.000 1.047 326 T CA -0.818 61.278 62.100 -0.006 0.000 0.944 326 T CB -0.715 68.158 68.868 0.008 0.000 1.016 326 T HN 0.372 nan 8.240 nan 0.000 0.544 327 L N 0.968 122.203 121.223 0.020 0.000 2.461 327 L HA 0.473 4.813 4.340 -0.000 0.000 0.272 327 L C 0.168 177.066 176.870 0.047 0.000 1.197 327 L CA -0.711 54.176 54.840 0.078 0.000 0.836 327 L CB 0.468 42.582 42.059 0.092 0.000 1.105 327 L HN 0.220 nan 8.230 nan 0.000 0.477 328 R N 1.241 121.794 120.500 0.088 0.000 2.638 328 R HA 0.199 4.539 4.340 -0.000 0.000 0.269 328 R C 0.306 176.639 176.300 0.054 0.000 1.393 328 R CA -0.166 55.962 56.100 0.047 0.000 1.531 328 R CB -0.229 30.092 30.300 0.035 0.000 1.327 328 R HN 0.807 nan 8.270 nan 0.000 0.709 329 T N 0.351 114.895 114.554 -0.016 0.000 2.685 329 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 329 T C 2.003 176.660 174.700 -0.072 0.000 1.034 329 T CA 2.685 64.680 62.100 -0.175 0.000 1.149 329 T CB -0.237 68.341 68.868 -0.483 0.000 0.860 329 T HN 0.623 nan 8.240 nan 0.000 0.449 330 T N 0.626 115.184 114.554 0.007 0.000 3.072 330 T HA 0.002 4.351 4.350 -0.000 0.000 0.266 330 T C 1.735 176.493 174.700 0.097 0.000 1.127 330 T CA 0.956 63.129 62.100 0.122 0.000 1.107 330 T CB -0.418 68.616 68.868 0.277 0.000 0.910 330 T HN 0.495 nan 8.240 nan 0.000 0.513 331 S N 0.442 116.176 115.700 0.057 0.000 2.583 331 S HA 0.462 4.932 4.470 -0.000 0.000 0.239 331 S C 0.077 174.687 174.600 0.017 0.000 0.966 331 S CA -0.899 57.314 58.200 0.021 0.000 0.973 331 S CB -0.718 62.479 63.200 -0.004 0.000 0.794 331 S HN 0.561 nan 8.310 nan 0.000 0.463 332 I N 1.465 122.076 120.570 0.068 0.000 2.478 332 I HA 0.343 4.513 4.170 -0.000 0.000 0.287 332 I C -0.948 175.246 176.117 0.129 0.000 1.042 332 I CA -1.087 60.284 61.300 0.118 0.000 1.067 332 I CB 2.360 40.517 38.000 0.261 0.000 1.233 332 I HN -0.089 nan 8.210 nan 0.000 0.431 333 V N 8.126 128.119 119.914 0.131 0.000 2.389 333 V HA 0.237 4.357 4.120 -0.000 0.000 0.264 333 V C -2.229 173.930 176.094 0.108 0.000 1.049 333 V CA -1.551 60.815 62.300 0.109 0.000 0.932 333 V CB 0.480 32.397 31.823 0.156 0.000 1.011 333 V HN 0.521 nan 8.190 nan 0.000 0.475 334 P HA 0.187 nan 4.420 nan 0.000 0.285 334 P C 0.721 177.993 177.300 -0.048 0.000 1.259 334 P CA -0.088 63.039 63.100 0.045 0.000 0.794 334 P CB 1.707 33.465 31.700 0.095 0.000 0.940 335 V N 2.938 122.822 119.914 -0.050 0.000 2.453 335 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 335 V C 1.472 177.484 176.094 -0.137 0.000 1.048 335 V CA 2.542 64.819 62.300 -0.039 0.000 1.049 335 V CB -0.895 30.956 31.823 0.047 0.000 0.672 335 V HN 0.568 nan 8.190 nan 0.000 0.457 336 D N 0.216 120.425 120.400 -0.318 0.000 2.084 336 D HA -0.226 4.414 4.640 -0.000 0.000 0.196 336 D C 2.038 178.067 176.300 -0.451 0.000 0.985 336 D CA 1.814 55.386 54.000 -0.713 0.000 0.826 336 D CB -1.027 38.888 40.800 -1.475 0.000 0.978 336 D HN 0.429 nan 8.370 nan 0.000 0.456 337 L N 0.881 121.899 121.223 -0.342 0.000 2.013 337 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 337 L C 1.694 178.373 176.870 -0.319 0.000 1.073 337 L CA 1.867 56.477 54.840 -0.383 0.000 0.753 337 L CB -0.895 40.760 42.059 -0.673 0.000 0.890 337 L HN -0.013 nan 8.230 nan 0.000 0.432 338 N N -0.925 117.646 118.700 -0.215 0.000 2.244 338 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 338 N C 1.794 177.286 175.510 -0.030 0.000 1.016 338 N CA 1.393 54.374 53.050 -0.115 0.000 0.866 338 N CB -0.056 38.393 38.487 -0.062 0.000 0.980 338 N HN 0.401 nan 8.380 nan 0.000 0.430 339 S N 1.486 117.174 115.700 -0.020 0.000 2.368 339 S HA -0.004 4.466 4.470 -0.000 0.000 0.225 339 S C 2.151 176.828 174.600 0.128 0.000 1.030 339 S CA 0.666 58.913 58.200 0.078 0.000 0.999 339 S CB -0.203 63.092 63.200 0.158 0.000 0.844 339 S HN 0.260 nan 8.310 nan 0.000 0.459 340 L N 0.710 121.943 121.223 0.018 0.000 2.141 340 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 340 L C 2.433 179.213 176.870 -0.149 0.000 1.094 340 L CA 0.726 55.503 54.840 -0.104 0.000 0.763 340 L CB -0.435 41.461 42.059 -0.272 0.000 0.908 340 L HN 0.322 nan 8.230 nan 0.000 0.437 341 M N -1.192 118.322 119.600 -0.143 0.000 2.200 341 M HA -0.183 4.297 4.480 -0.000 0.000 0.265 341 M C 2.313 178.616 176.300 0.005 0.000 1.066 341 M CA 1.534 56.773 55.300 -0.102 0.000 1.127 341 M CB -1.088 31.459 32.600 -0.088 0.000 1.379 341 M HN 0.177 nan 8.290 nan 0.000 0.420 342 F N 1.627 121.532 119.950 -0.074 0.000 2.095 342 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 342 F C 2.403 178.154 175.800 -0.080 0.000 1.104 342 F CA 2.002 59.971 58.000 -0.052 0.000 1.232 342 F CB -0.252 38.728 39.000 -0.032 0.000 0.987 342 F HN 0.023 nan 8.300 nan 0.000 0.475 343 K N 0.405 120.772 120.400 -0.055 0.000 2.057 343 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 343 K C 2.316 178.769 176.600 -0.246 0.000 1.049 343 K CA 1.881 58.062 56.287 -0.177 0.000 0.931 343 K CB -0.593 31.849 32.500 -0.096 0.000 0.714 343 K HN 0.454 nan 8.250 nan 0.000 0.440 344 M N 0.219 119.694 119.600 -0.207 0.000 2.080 344 M HA -0.232 4.248 4.480 -0.000 0.000 0.260 344 M C 1.628 177.725 176.300 -0.339 0.000 1.068 344 M CA 1.906 57.078 55.300 -0.214 0.000 1.109 344 M CB -0.092 32.430 32.600 -0.129 0.000 1.342 344 M HN 0.193 nan 8.290 nan 0.000 0.405 345 E N -0.207 119.775 120.200 -0.364 0.000 2.072 345 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 345 E C 2.024 178.391 176.600 -0.388 0.000 0.985 345 E CA 1.037 57.190 56.400 -0.412 0.000 0.801 345 E CB 0.070 29.607 29.700 -0.272 0.000 0.750 345 E HN 0.339 nan 8.360 nan 0.000 0.452 346 K N 0.547 120.663 120.400 -0.472 0.000 2.063 346 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 346 K C 2.109 178.539 176.600 -0.284 0.000 1.048 346 K CA 1.097 57.136 56.287 -0.413 0.000 0.928 346 K CB -0.352 31.836 32.500 -0.519 0.000 0.713 346 K HN 0.245 nan 8.250 nan 0.000 0.442 347 I N 0.870 121.274 120.570 -0.277 0.000 2.439 347 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 347 I C 2.232 178.194 176.117 -0.260 0.000 1.139 347 I CA 0.638 61.806 61.300 -0.220 0.000 1.438 347 I CB -0.174 37.716 38.000 -0.184 0.000 1.085 347 I HN 0.020 nan 8.210 nan 0.000 0.427 348 L N 0.417 121.399 121.223 -0.402 0.000 2.056 348 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 348 L C 2.857 179.448 176.870 -0.465 0.000 1.078 348 L CA 1.231 55.698 54.840 -0.622 0.000 0.749 348 L CB -0.604 40.696 42.059 -1.265 0.000 0.901 348 L HN 0.232 nan 8.230 nan 0.000 0.433 349 A N 0.501 123.158 122.820 -0.271 0.000 1.877 349 A HA -0.266 4.054 4.320 -0.000 0.000 0.216 349 A C 2.691 180.241 177.584 -0.057 0.000 1.186 349 A CA 2.413 54.427 52.037 -0.039 0.000 0.620 349 A CB -0.891 18.097 19.000 -0.021 0.000 0.822 349 A HN 0.376 nan 8.150 nan 0.000 0.443 350 R N -0.714 119.727 120.500 -0.099 0.000 2.081 350 R HA 0.116 4.456 4.340 -0.000 0.000 0.235 350 R C 2.512 178.775 176.300 -0.061 0.000 1.131 350 R CA 2.303 58.358 56.100 -0.074 0.000 0.960 350 R CB -1.687 28.562 30.300 -0.085 0.000 0.856 350 R HN 0.957 nan 8.270 nan 0.000 0.436 351 A N 0.220 122.989 122.820 -0.084 0.000 1.929 351 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 351 A C 2.585 180.150 177.584 -0.032 0.000 1.176 351 A CA 1.679 53.681 52.037 -0.060 0.000 0.628 351 A CB -0.321 18.634 19.000 -0.075 0.000 0.816 351 A HN 0.509 nan 8.150 nan 0.000 0.444 352 S N -0.343 115.342 115.700 -0.025 0.000 2.356 352 S HA -0.155 4.315 4.470 -0.000 0.000 0.223 352 S C 2.141 176.755 174.600 0.023 0.000 1.032 352 S CA 1.628 59.848 58.200 0.034 0.000 1.005 352 S CB -0.283 62.990 63.200 0.121 0.000 0.867 352 S HN 0.636 nan 8.310 nan 0.000 0.449 353 K N 1.611 122.018 120.400 0.011 0.000 2.152 353 K HA 0.038 4.358 4.320 -0.000 0.000 0.206 353 K C 2.135 178.732 176.600 -0.005 0.000 1.048 353 K CA 1.201 57.490 56.287 0.003 0.000 0.933 353 K CB -0.969 31.527 32.500 -0.006 0.000 0.721 353 K HN 0.464 nan 8.250 nan 0.000 0.447 354 A N -0.068 122.745 122.820 -0.012 0.000 1.968 354 A HA 0.314 4.634 4.320 -0.000 0.000 0.217 354 A C 2.428 180.006 177.584 -0.011 0.000 1.169 354 A CA 1.455 53.483 52.037 -0.015 0.000 0.638 354 A CB -0.708 18.280 19.000 -0.021 0.000 0.812 354 A HN 0.674 nan 8.150 nan 0.000 0.446 355 A N -1.720 121.098 122.820 -0.004 0.000 2.119 355 A HA 0.387 4.707 4.320 -0.000 0.000 0.216 355 A C 1.783 179.368 177.584 0.003 0.000 1.152 355 A CA 1.365 53.403 52.037 0.001 0.000 0.708 355 A CB -0.724 18.282 19.000 0.011 0.000 0.805 355 A HN 1.829 nan 8.150 nan 0.000 0.460 356 G N -0.511 108.292 108.800 0.004 0.000 2.134 356 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.209 356 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.209 356 G C -0.568 174.338 174.900 0.010 0.000 0.993 356 G CA 0.099 45.201 45.100 0.004 0.000 0.669 356 G HN 0.501 nan 8.290 nan 0.000 0.519 357 D N 0.634 121.046 120.400 0.019 0.000 2.493 357 D HA 0.298 4.938 4.640 -0.000 0.000 0.235 357 D C 1.016 177.331 176.300 0.026 0.000 1.117 357 D CA -0.595 53.420 54.000 0.024 0.000 0.930 357 D CB 0.644 41.467 40.800 0.039 0.000 1.010 357 D HN 0.189 nan 8.370 nan 0.000 0.514 358 N N 1.111 119.820 118.700 0.014 0.000 2.270 358 N HA -0.104 4.636 4.740 -0.000 0.000 0.181 358 N C 1.968 177.483 175.510 0.009 0.000 1.016 358 N CA 0.754 53.812 53.050 0.012 0.000 0.870 358 N CB 0.135 38.625 38.487 0.004 0.000 0.979 358 N HN 0.381 nan 8.380 nan 0.000 0.431 359 A N 0.750 123.573 122.820 0.004 0.000 1.883 359 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 359 A C 2.183 179.757 177.584 -0.017 0.000 1.186 359 A CA 1.395 53.428 52.037 -0.007 0.000 0.624 359 A CB -0.591 18.403 19.000 -0.009 0.000 0.822 359 A HN 0.282 nan 8.150 nan 0.000 0.444 360 M N -0.759 118.841 119.600 0.000 0.000 2.132 360 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 360 M C 2.365 178.702 176.300 0.063 0.000 1.065 360 M CA 1.409 56.708 55.300 -0.002 0.000 1.122 360 M CB -0.234 32.412 32.600 0.076 0.000 1.365 360 M HN 0.467 nan 8.290 nan 0.000 0.411 361 A N 0.739 123.616 122.820 0.094 0.000 1.908 361 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 361 A C 1.749 179.371 177.584 0.062 0.000 1.181 361 A CA 2.131 54.231 52.037 0.105 0.000 0.627 361 A CB -0.985 18.043 19.000 0.047 0.000 0.818 361 A HN 0.580 nan 8.150 nan 0.000 0.445 362 N N -0.111 118.600 118.700 0.017 0.000 2.166 362 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 362 N C 1.920 177.415 175.510 -0.025 0.000 1.019 362 N CA 1.515 54.563 53.050 -0.003 0.000 0.856 362 N CB -0.472 38.009 38.487 -0.010 0.000 0.993 362 N HN 0.676 nan 8.380 nan 0.000 0.426 363 Q N -0.329 119.426 119.800 -0.074 0.000 2.061 363 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 363 Q C 1.649 177.549 176.000 -0.166 0.000 0.984 363 Q CA 1.352 57.060 55.803 -0.158 0.000 0.846 363 Q CB -0.307 28.264 28.738 -0.278 0.000 0.902 363 Q HN 0.472 nan 8.270 nan 0.000 0.421 364 Y N 1.132 121.400 120.300 -0.054 0.000 2.293 364 Y HA -0.139 4.411 4.550 -0.000 0.000 0.291 364 Y C 2.348 178.181 175.900 -0.112 0.000 1.137 364 Y CA 0.825 58.861 58.100 -0.107 0.000 1.202 364 Y CB -0.045 38.321 38.460 -0.157 0.000 0.990 364 Y HN 0.070 nan 8.280 nan 0.000 0.537 365 E N -0.245 119.988 120.200 0.056 0.000 2.058 365 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 365 E C 2.288 178.893 176.600 0.009 0.000 0.997 365 E CA 2.011 58.412 56.400 0.002 0.000 0.801 365 E CB -0.790 28.910 29.700 -0.000 0.000 0.746 365 E HN 0.604 nan 8.360 nan 0.000 0.450 366 T N 0.172 114.731 114.554 0.008 0.000 2.708 366 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 366 T C 2.312 177.034 174.700 0.037 0.000 1.037 366 T CA 1.100 63.210 62.100 0.016 0.000 1.146 366 T CB -0.678 68.189 68.868 -0.001 0.000 0.865 366 T HN 0.046 nan 8.240 nan 0.000 0.435 367 L N 1.429 122.674 121.223 0.037 0.000 2.013 367 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 367 L C 3.352 180.276 176.870 0.089 0.000 1.073 367 L CA 1.534 56.421 54.840 0.079 0.000 0.753 367 L CB -0.929 41.202 42.059 0.120 0.000 0.890 367 L HN 0.389 nan 8.230 nan 0.000 0.432 368 A N 0.191 123.030 122.820 0.031 0.000 1.883 368 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 368 A C 2.104 179.820 177.584 0.219 0.000 1.186 368 A CA 2.089 54.124 52.037 -0.003 0.000 0.624 368 A CB -0.694 18.136 19.000 -0.285 0.000 0.822 368 A HN 0.494 nan 8.150 nan 0.000 0.444 369 N N 0.518 119.309 118.700 0.151 0.000 2.069 369 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 369 N C 1.951 177.547 175.510 0.143 0.000 1.031 369 N CA 1.724 54.871 53.050 0.161 0.000 0.852 369 N CB -0.664 37.878 38.487 0.091 0.000 1.018 369 N HN 0.492 nan 8.380 nan 0.000 0.423 370 A N 1.329 124.218 122.820 0.116 0.000 1.908 370 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 370 A C 2.331 179.989 177.584 0.123 0.000 1.181 370 A CA 1.751 53.848 52.037 0.100 0.000 0.627 370 A CB -0.480 18.569 19.000 0.083 0.000 0.818 370 A HN 0.212 nan 8.150 nan 0.000 0.445 371 R N -0.193 120.412 120.500 0.176 0.000 2.066 371 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 371 R C 2.359 178.751 176.300 0.152 0.000 1.131 371 R CA 2.090 58.309 56.100 0.200 0.000 0.955 371 R CB -0.686 29.797 30.300 0.304 0.000 0.851 371 R HN 0.692 nan 8.270 nan 0.000 0.432 372 Q N -0.024 119.876 119.800 0.166 0.000 2.077 372 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 372 Q C 2.156 178.148 176.000 -0.013 0.000 0.989 372 Q CA 2.972 58.742 55.803 -0.056 0.000 0.853 372 Q CB -0.232 28.481 28.738 -0.043 0.000 0.907 372 Q HN 0.395 nan 8.270 nan 0.000 0.418 373 K N 0.133 120.555 120.400 0.036 0.000 2.063 373 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 373 K C 2.090 178.717 176.600 0.046 0.000 1.048 373 K CA 1.697 57.999 56.287 0.025 0.000 0.928 373 K CB -1.900 30.621 32.500 0.034 0.000 0.713 373 K HN 0.608 nan 8.250 nan 0.000 0.442 374 G N 1.093 109.951 108.800 0.097 0.000 2.491 374 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 374 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 374 G C 1.835 176.829 174.900 0.157 0.000 1.180 374 G CA 1.261 46.467 45.100 0.175 0.000 0.774 374 G HN 0.542 nan 8.290 nan 0.000 0.562 375 I N 0.615 121.240 120.570 0.092 0.000 2.163 375 I HA -0.169 4.000 4.170 -0.000 0.000 0.243 375 I C 2.791 179.013 176.117 0.176 0.000 1.085 375 I CA 1.319 62.682 61.300 0.104 0.000 1.347 375 I CB -0.174 37.818 38.000 -0.012 0.000 1.044 375 I HN 0.120 nan 8.210 nan 0.000 0.408 376 E N 0.675 120.932 120.200 0.095 0.000 2.106 376 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 376 E C 2.056 178.657 176.600 0.002 0.000 0.984 376 E CA 1.112 57.548 56.400 0.060 0.000 0.806 376 E CB -0.171 29.508 29.700 -0.035 0.000 0.750 376 E HN 0.488 nan 8.360 nan 0.000 0.458 377 K N -0.344 120.008 120.400 -0.080 0.000 2.021 377 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 377 K C 1.486 177.873 176.600 -0.356 0.000 1.047 377 K CA 0.932 57.035 56.287 -0.307 0.000 0.943 377 K CB 0.037 32.191 32.500 -0.577 0.000 0.725 377 K HN 0.032 nan 8.250 nan 0.000 0.439 378 Y N -0.245 120.042 120.300 -0.021 0.000 2.458 378 Y HA 0.237 4.787 4.550 -0.000 0.000 0.254 378 Y C 0.868 176.803 175.900 0.060 0.000 1.120 378 Y CA 0.104 58.128 58.100 -0.127 0.000 1.282 378 Y CB 0.698 38.919 38.460 -0.398 0.000 1.109 378 Y HN -0.047 nan 8.280 nan 0.000 0.526 379 L N -0.660 120.731 121.223 0.280 0.000 3.014 379 L HA 0.181 4.521 4.340 -0.000 0.000 0.263 379 L C -0.452 176.695 176.870 0.461 0.000 1.207 379 L CA -0.063 54.980 54.840 0.338 0.000 1.017 379 L CB 0.643 42.871 42.059 0.281 0.000 1.360 379 L HN 0.217 nan 8.230 nan 0.000 0.560 380 W N 1.436 122.803 121.300 0.111 0.000 2.656 380 W HA 0.344 5.004 4.660 -0.000 0.000 0.327 380 W C -1.116 175.359 176.519 -0.073 0.000 1.041 380 W CA -0.610 56.684 57.345 -0.084 0.000 1.229 380 W CB 1.569 30.862 29.460 -0.279 0.000 1.397 380 W HN -0.116 nan 8.180 nan 0.000 0.479 381 N N 4.308 122.514 118.700 -0.824 0.000 2.500 381 N HA -0.004 4.736 4.740 -0.000 0.000 0.236 381 N C 0.577 175.442 175.510 -1.075 0.000 1.022 381 N CA 0.196 52.808 53.050 -0.729 0.000 0.935 381 N CB 0.846 38.982 38.487 -0.585 0.000 1.147 381 N HN 0.423 nan 8.380 nan 0.000 0.512 382 D N 2.292 122.387 120.400 -0.508 0.000 2.312 382 D HA -0.113 4.527 4.640 -0.000 0.000 0.211 382 D C 1.581 177.743 176.300 -0.229 0.000 0.964 382 D CA 1.141 55.047 54.000 -0.158 0.000 0.877 382 D CB -0.303 40.591 40.800 0.157 0.000 0.924 382 D HN 0.546 nan 8.370 nan 0.000 0.515 383 Q N 0.427 120.041 119.800 -0.309 0.000 2.083 383 Q HA -0.026 4.314 4.340 -0.000 0.000 0.198 383 Q C 2.179 177.915 176.000 -0.440 0.000 0.969 383 Q CA 1.178 56.808 55.803 -0.287 0.000 0.838 383 Q CB -0.773 27.827 28.738 -0.229 0.000 0.900 383 Q HN 0.239 nan 8.270 nan 0.000 0.436 384 Q N -1.432 117.920 119.800 -0.747 0.000 2.302 384 Q HA 0.236 4.576 4.340 -0.000 0.000 0.202 384 Q C 1.172 176.467 176.000 -1.175 0.000 0.936 384 Q CA 0.923 56.000 55.803 -1.211 0.000 0.886 384 Q CB 0.575 28.044 28.738 -2.115 0.000 0.986 384 Q HN 1.010 nan 8.270 nan 0.000 0.487 385 G N 1.398 109.607 108.800 -0.985 0.000 2.291 385 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.271 385 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.271 385 G C -0.748 173.714 174.900 -0.729 0.000 1.099 385 G CA 0.343 45.051 45.100 -0.653 0.000 0.919 385 G HN 0.227 nan 8.290 nan 0.000 0.496 386 W N -2.094 118.417 121.300 -1.316 0.000 3.275 386 W HA 0.711 5.371 4.660 -0.000 0.000 0.306 386 W C -0.707 175.303 176.519 -0.848 0.000 1.259 386 W CA -3.291 53.523 57.345 -0.884 0.000 1.194 386 W CB 0.368 29.645 29.460 -0.304 0.000 1.375 386 W HN 0.157 nan 8.180 nan 0.000 0.564 387 Y N 2.130 122.540 120.300 0.183 0.000 2.457 387 Y HA 0.481 5.031 4.550 -0.000 0.000 0.341 387 Y C 0.961 176.970 175.900 0.182 0.000 1.240 387 Y CA 1.417 59.669 58.100 0.252 0.000 1.437 387 Y CB 0.701 39.344 38.460 0.304 0.000 1.328 387 Y HN 0.812 nan 8.280 nan 0.000 0.588 388 A N 1.227 124.238 122.820 0.317 0.000 2.564 388 A HA 0.450 4.770 4.320 -0.000 0.000 0.291 388 A C -1.643 176.036 177.584 0.159 0.000 1.102 388 A CA -1.113 51.033 52.037 0.182 0.000 0.660 388 A CB 0.945 20.049 19.000 0.174 0.000 1.283 388 A HN 0.569 nan 8.150 nan 0.000 0.430 389 D N 0.033 120.485 120.400 0.087 0.000 2.313 389 D HA 0.399 5.039 4.640 -0.000 0.000 0.247 389 D C -1.094 175.316 176.300 0.184 0.000 1.094 389 D CA 0.649 54.715 54.000 0.109 0.000 0.925 389 D CB 0.943 41.772 40.800 0.047 0.000 1.188 389 D HN 0.436 nan 8.370 nan 0.000 0.430 390 Y N 0.919 121.263 120.300 0.075 0.000 2.320 390 Y HA 0.129 4.679 4.550 -0.000 0.000 0.334 390 Y C -0.165 175.760 175.900 0.042 0.000 1.055 390 Y CA -0.655 57.491 58.100 0.077 0.000 1.143 390 Y CB 1.019 39.538 38.460 0.099 0.000 1.193 390 Y HN 0.139 nan 8.280 nan 0.000 0.477 391 D N 6.237 126.286 120.400 -0.586 0.000 2.316 391 D HA 0.125 4.765 4.640 -0.000 0.000 0.245 391 D C 0.560 176.449 176.300 -0.685 0.000 1.171 391 D CA 0.149 53.866 54.000 -0.472 0.000 0.856 391 D CB 0.994 41.598 40.800 -0.326 0.000 1.090 391 D HN 0.842 nan 8.370 nan 0.000 0.476 392 L N 3.113 124.105 121.223 -0.385 0.000 2.478 392 L HA -0.056 4.284 4.340 -0.000 0.000 0.223 392 L C 2.652 179.201 176.870 -0.536 0.000 1.140 392 L CA 0.583 55.207 54.840 -0.360 0.000 0.842 392 L CB -0.333 41.651 42.059 -0.126 0.000 0.953 392 L HN 0.345 nan 8.230 nan 0.000 0.452 393 K N 0.555 120.715 120.400 -0.400 0.000 2.029 393 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 393 K C 2.222 178.576 176.600 -0.409 0.000 1.042 393 K CA 1.467 57.557 56.287 -0.329 0.000 0.949 393 K CB -1.045 31.363 32.500 -0.153 0.000 0.740 393 K HN 0.416 nan 8.250 nan 0.000 0.442 394 S N -0.794 114.717 115.700 -0.315 0.000 2.558 394 S HA -0.040 4.430 4.470 -0.000 0.000 0.217 394 S C 0.388 174.942 174.600 -0.078 0.000 0.975 394 S CA 0.577 58.691 58.200 -0.144 0.000 0.912 394 S CB -0.528 62.614 63.200 -0.097 0.000 0.776 394 S HN 0.624 nan 8.310 nan 0.000 0.526 395 H N -0.066 118.902 119.070 -0.170 0.000 2.820 395 H HA -0.097 4.459 4.556 -0.000 0.000 0.295 395 H C -0.548 174.749 175.328 -0.052 0.000 1.187 395 H CA 1.138 57.118 56.048 -0.113 0.000 1.144 395 H CB -2.305 27.500 29.762 0.073 0.000 1.354 395 H HN 0.445 nan 8.280 nan 0.000 0.395 396 K N -0.275 119.995 120.400 -0.217 0.000 2.444 396 K HA 0.596 4.916 4.320 -0.000 0.000 0.252 396 K C 0.335 176.890 176.600 -0.076 0.000 0.993 396 K CA -0.479 55.811 56.287 0.005 0.000 0.847 396 K CB 2.880 35.388 32.500 0.012 0.000 1.340 396 K HN 0.074 nan 8.250 nan 0.000 0.446 397 V N 2.375 122.408 119.914 0.197 0.000 2.715 397 V HA 0.234 4.354 4.120 -0.000 0.000 0.299 397 V C 0.830 176.955 176.094 0.051 0.000 1.054 397 V CA -0.235 62.186 62.300 0.203 0.000 1.077 397 V CB 0.430 32.370 31.823 0.194 0.000 0.972 397 V HN 0.598 nan 8.190 nan 0.000 0.484 398 R N 2.649 123.176 120.500 0.044 0.000 2.641 398 R HA 0.228 4.568 4.340 -0.000 0.000 0.269 398 R C 1.534 177.861 176.300 0.046 0.000 1.074 398 R CA 0.553 56.665 56.100 0.020 0.000 1.133 398 R CB 0.075 30.381 30.300 0.011 0.000 1.029 398 R HN 0.885 nan 8.270 nan 0.000 0.488 399 N N 1.917 120.645 118.700 0.046 0.000 2.109 399 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 399 N C 0.918 176.581 175.510 0.255 0.000 1.034 399 N CA 1.079 54.184 53.050 0.093 0.000 0.846 399 N CB -0.361 nan 38.487 nan 0.000 1.010 399 N HN 0.683 nan 8.380 nan 0.000 0.425 400 Q N 0.291 120.166 119.800 0.125 0.000 2.286 400 Q HA 0.214 4.553 4.340 -0.000 0.000 0.290 400 Q C -0.634 175.319 176.000 -0.078 0.000 1.049 400 Q CA -0.280 55.545 55.803 0.036 0.000 0.923 400 Q CB 0.223 28.939 28.738 -0.036 0.000 1.183 400 Q HN 0.588 nan 8.270 nan 0.000 0.383 401 L N 5.185 126.155 121.223 -0.422 0.000 2.281 401 L HA 0.406 4.746 4.340 -0.000 0.000 0.285 401 L C -0.458 176.183 176.870 -0.381 0.000 1.074 401 L CA 0.385 54.738 54.840 -0.812 0.000 0.817 401 L CB 1.211 42.229 42.059 -1.735 0.000 1.168 401 L HN 0.816 nan 8.230 nan 0.000 0.434 402 T N 1.557 115.983 114.554 -0.214 0.000 2.907 402 T HA 0.666 5.016 4.350 -0.000 0.000 0.290 402 T C 1.021 175.779 174.700 0.097 0.000 1.066 402 T CA -0.286 61.813 62.100 -0.002 0.000 1.012 402 T CB 1.480 70.375 68.868 0.045 0.000 1.184 402 T HN 0.663 nan 8.240 nan 0.000 0.522 403 A N 0.582 123.574 122.820 0.288 0.000 2.131 403 A HA 0.197 4.517 4.320 -0.000 0.000 0.220 403 A C 2.478 180.323 177.584 0.435 0.000 1.158 403 A CA 1.882 54.114 52.037 0.325 0.000 0.665 403 A CB -1.497 17.701 19.000 0.331 0.000 0.795 403 A HN 1.383 nan 8.150 nan 0.000 0.460 404 A N -0.223 122.840 122.820 0.404 0.000 2.076 404 A HA 0.143 4.463 4.320 -0.000 0.000 0.220 404 A C 2.274 180.025 177.584 0.279 0.000 1.160 404 A CA 1.689 53.883 52.037 0.261 0.000 0.653 404 A CB -0.740 18.096 19.000 -0.273 0.000 0.801 404 A HN 1.123 nan 8.150 nan 0.000 0.455 405 A N -1.032 121.907 122.820 0.197 0.000 2.216 405 A HA 0.135 4.455 4.320 -0.000 0.000 0.214 405 A C 1.701 179.425 177.584 0.234 0.000 1.160 405 A CA 0.966 53.136 52.037 0.222 0.000 0.725 405 A CB -0.246 18.856 19.000 0.169 0.000 0.784 405 A HN 0.380 nan 8.150 nan 0.000 0.472 406 L N -2.066 119.298 121.223 0.235 0.000 2.446 406 L HA 0.126 4.466 4.340 -0.000 0.000 0.219 406 L C 1.747 178.690 176.870 0.123 0.000 1.116 406 L CA 0.898 55.824 54.840 0.144 0.000 0.844 406 L CB -1.416 40.691 42.059 0.079 0.000 0.970 406 L HN 0.399 nan 8.230 nan 0.000 0.457 407 F N 1.251 121.233 119.950 0.055 0.000 2.161 407 F HA -0.115 4.412 4.527 -0.000 0.000 0.300 407 F C -0.164 175.650 175.800 0.024 0.000 1.089 407 F CA 1.511 59.571 58.000 0.100 0.000 1.282 407 F CB -1.755 37.297 39.000 0.087 0.000 1.010 407 F HN 0.180 nan 8.300 nan 0.000 0.485 408 P HA -0.152 nan 4.420 nan 0.000 0.216 408 P C 1.712 178.936 177.300 -0.127 0.000 1.153 408 P CA 1.286 64.225 63.100 -0.268 0.000 0.848 408 P CB 0.014 31.162 31.700 -0.920 0.000 0.787 409 L N -2.200 118.970 121.223 -0.089 0.000 2.017 409 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 409 L C 2.509 179.518 176.870 0.232 0.000 1.073 409 L CA 1.751 56.615 54.840 0.040 0.000 0.745 409 L CB -1.943 40.066 42.059 -0.084 0.000 0.894 409 L HN -0.064 nan 8.230 nan 0.000 0.432 410 Y N 0.016 120.320 120.300 0.007 0.000 2.139 410 Y HA -0.260 4.290 4.550 -0.000 0.000 0.282 410 Y C 2.183 178.103 175.900 0.033 0.000 1.179 410 Y CA 1.770 59.852 58.100 -0.030 0.000 1.161 410 Y CB -0.191 38.161 38.460 -0.180 0.000 0.970 410 Y HN -0.029 nan 8.280 nan 0.000 0.511 411 V N 0.979 120.910 119.914 0.029 0.000 3.649 411 V HA -0.033 4.087 4.120 -0.000 0.000 0.275 411 V C 0.214 176.376 176.094 0.114 0.000 1.281 411 V CA 0.893 63.201 62.300 0.014 0.000 1.143 411 V CB -0.811 31.125 31.823 0.190 0.000 0.892 411 V HN 0.569 nan 8.190 nan 0.000 0.441 412 N N -0.191 118.575 118.700 0.110 0.000 2.783 412 N HA -0.203 4.537 4.740 -0.000 0.000 0.247 412 N C 0.764 176.321 175.510 0.078 0.000 1.089 412 N CA 0.940 54.076 53.050 0.143 0.000 0.690 412 N CB -1.177 37.342 38.487 0.053 0.000 0.991 412 N HN 0.604 nan 8.380 nan 0.000 0.552 413 A N -0.963 121.779 122.820 -0.130 0.000 2.140 413 A HA 0.532 4.852 4.320 -0.000 0.000 0.209 413 A C 1.180 178.655 177.584 -0.182 0.000 1.181 413 A CA 0.950 52.706 52.037 -0.468 0.000 0.824 413 A CB 0.337 18.765 19.000 -0.953 0.000 0.879 413 A HN 0.570 nan 8.150 nan 0.000 0.480 414 A N 0.621 123.412 122.820 -0.048 0.000 2.477 414 A HA 0.553 4.873 4.320 -0.000 0.000 0.246 414 A C 0.766 178.398 177.584 0.080 0.000 1.078 414 A CA 0.232 52.269 52.037 -0.001 0.000 0.770 414 A CB -0.273 18.626 19.000 -0.168 0.000 1.011 414 A HN 1.297 nan 8.150 nan 0.000 0.494 415 A N 2.216 125.040 122.820 0.006 0.000 2.462 415 A HA 0.317 4.637 4.320 -0.000 0.000 0.243 415 A C 1.162 178.752 177.584 0.011 0.000 1.076 415 A CA 0.045 52.076 52.037 -0.010 0.000 0.773 415 A CB 0.084 19.009 19.000 -0.124 0.000 1.010 415 A HN 0.913 nan 8.150 nan 0.000 0.493 416 K N 0.875 121.342 120.400 0.112 0.000 2.152 416 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 416 K C 1.185 177.809 176.600 0.040 0.000 1.048 416 K CA 1.794 58.186 56.287 0.176 0.000 0.933 416 K CB -0.071 32.535 32.500 0.176 0.000 0.721 416 K HN 0.915 nan 8.250 nan 0.000 0.447 417 D N 0.560 120.942 120.400 -0.030 0.000 2.224 417 D HA -0.161 4.479 4.640 -0.000 0.000 0.205 417 D C 1.710 177.948 176.300 -0.103 0.000 0.965 417 D CA 0.829 54.796 54.000 -0.055 0.000 0.852 417 D CB -0.172 40.586 40.800 -0.071 0.000 0.947 417 D HN 0.178 nan 8.370 nan 0.000 0.494 418 R N 0.756 121.121 120.500 -0.225 0.000 2.090 418 R HA 0.110 4.450 4.340 -0.000 0.000 0.228 418 R C 2.626 178.903 176.300 -0.038 0.000 1.110 418 R CA 1.030 56.929 56.100 -0.334 0.000 0.973 418 R CB -0.357 29.452 30.300 -0.819 0.000 0.869 418 R HN 0.186 nan 8.270 nan 0.000 0.440 419 A N 2.267 125.004 122.820 -0.138 0.000 1.903 419 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 419 A C 1.688 179.246 177.584 -0.042 0.000 1.191 419 A CA 1.999 53.889 52.037 -0.245 0.000 0.638 419 A CB -0.577 17.998 19.000 -0.707 0.000 0.823 419 A HN 0.297 nan 8.150 nan 0.000 0.451 420 N N -0.040 118.664 118.700 0.007 0.000 2.188 420 N HA -0.107 4.633 4.740 -0.000 0.000 0.184 420 N C 1.824 177.390 175.510 0.093 0.000 1.018 420 N CA 2.114 55.198 53.050 0.056 0.000 0.858 420 N CB -0.646 37.873 38.487 0.054 0.000 0.989 420 N HN 0.664 nan 8.380 nan 0.000 0.426 421 K N 1.242 121.718 120.400 0.126 0.000 2.097 421 K HA 0.035 4.355 4.320 -0.000 0.000 0.206 421 K C 2.014 178.761 176.600 0.245 0.000 1.049 421 K CA 1.196 57.610 56.287 0.210 0.000 0.933 421 K CB -0.596 32.108 32.500 0.339 0.000 0.717 421 K HN 0.018 nan 8.250 nan 0.000 0.442 422 M N 0.385 120.131 119.600 0.242 0.000 2.132 422 M HA 0.082 4.562 4.480 -0.000 0.000 0.263 422 M C 2.716 179.108 176.300 0.154 0.000 1.065 422 M CA 1.536 56.978 55.300 0.237 0.000 1.122 422 M CB -1.121 31.630 32.600 0.251 0.000 1.365 422 M HN 0.471 nan 8.290 nan 0.000 0.411 423 A N 0.078 122.965 122.820 0.110 0.000 1.892 423 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 423 A C 2.305 179.942 177.584 0.089 0.000 1.188 423 A CA 2.566 54.653 52.037 0.083 0.000 0.631 423 A CB -1.249 17.793 19.000 0.069 0.000 0.822 423 A HN 0.533 nan 8.150 nan 0.000 0.447 424 T N 0.331 114.951 114.554 0.111 0.000 2.746 424 T HA 0.017 4.367 4.350 -0.000 0.000 0.267 424 T C 2.217 177.005 174.700 0.146 0.000 1.039 424 T CA 1.577 63.744 62.100 0.112 0.000 1.142 424 T CB -0.556 68.386 68.868 0.122 0.000 0.866 424 T HN 0.624 nan 8.240 nan 0.000 0.444 425 A N 1.746 124.696 122.820 0.217 0.000 1.883 425 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 425 A C 2.580 180.269 177.584 0.175 0.000 1.186 425 A CA 2.191 54.404 52.037 0.294 0.000 0.624 425 A CB -1.411 17.771 19.000 0.304 0.000 0.822 425 A HN 0.489 nan 8.150 nan 0.000 0.444 426 T N 0.143 114.762 114.554 0.107 0.000 2.643 426 T HA -0.148 4.202 4.350 -0.000 0.000 0.264 426 T C 2.127 176.848 174.700 0.035 0.000 1.045 426 T CA 1.873 64.007 62.100 0.058 0.000 1.155 426 T CB -0.332 68.564 68.868 0.047 0.000 0.863 426 T HN 0.457 nan 8.240 nan 0.000 0.420 427 K N 1.027 121.444 120.400 0.028 0.000 2.044 427 K HA -0.129 4.191 4.320 -0.000 0.000 0.210 427 K C 2.836 179.424 176.600 -0.020 0.000 1.049 427 K CA 1.787 58.077 56.287 0.004 0.000 0.927 427 K CB -1.373 31.134 32.500 0.011 0.000 0.713 427 K HN 0.583 nan 8.250 nan 0.000 0.443 428 T N -0.418 114.111 114.554 -0.042 0.000 2.896 428 T HA -0.037 4.313 4.350 -0.000 0.000 0.263 428 T C 1.532 176.050 174.700 -0.304 0.000 1.050 428 T CA 1.157 63.145 62.100 -0.187 0.000 1.140 428 T CB -0.172 68.540 68.868 -0.261 0.000 0.877 428 T HN 0.474 nan 8.240 nan 0.000 0.457 429 H N -0.789 118.275 119.070 -0.010 0.000 2.695 429 H HA 0.397 4.952 4.556 -0.000 0.000 0.267 429 H C 1.772 177.070 175.328 -0.049 0.000 0.973 429 H CA 0.376 56.396 56.048 -0.047 0.000 1.223 429 H CB 0.656 30.336 29.762 -0.137 0.000 1.442 429 H HN 0.237 nan 8.280 nan 0.000 0.478 430 L N 0.436 121.699 121.223 0.067 0.000 2.609 430 L HA 0.126 4.466 4.340 -0.000 0.000 0.230 430 L C 0.247 177.129 176.870 0.021 0.000 1.064 430 L CA -0.115 54.744 54.840 0.033 0.000 0.873 430 L CB 0.575 42.644 42.059 0.017 0.000 1.139 430 L HN -0.012 nan 8.230 nan 0.000 0.490 431 L N 1.696 122.926 121.223 0.010 0.000 2.462 431 L HA 0.138 4.478 4.340 -0.000 0.000 0.272 431 L C -0.118 176.775 176.870 0.040 0.000 1.166 431 L CA 0.852 55.690 54.840 -0.004 0.000 0.880 431 L CB 0.150 42.181 42.059 -0.047 0.000 1.142 431 L HN 0.089 nan 8.230 nan 0.000 0.473 432 Q N 5.527 125.377 119.800 0.083 0.000 2.496 432 Q HA 0.459 4.799 4.340 -0.000 0.000 0.286 432 Q C -1.997 174.163 176.000 0.268 0.000 1.103 432 Q CA -1.874 54.006 55.803 0.128 0.000 0.813 432 Q CB 0.979 29.768 28.738 0.084 0.000 1.444 432 Q HN 0.297 nan 8.270 nan 0.000 0.443 433 P HA -0.093 nan 4.420 nan 0.000 0.218 433 P C 0.726 178.080 177.300 0.090 0.000 1.148 433 P CA 1.524 64.691 63.100 0.111 0.000 0.822 433 P CB 0.223 31.936 31.700 0.022 0.000 0.784 434 G N -2.294 106.581 108.800 0.125 0.000 3.189 434 G HA2 0.479 4.439 3.960 -0.000 0.000 0.225 434 G HA3 0.479 4.439 3.960 -0.000 0.000 0.225 434 G C 0.555 175.579 174.900 0.206 0.000 1.159 434 G CA 0.345 45.511 45.100 0.110 0.000 0.763 434 G HN 0.555 nan 8.290 nan 0.000 0.549 435 G N -0.537 108.417 108.800 0.257 0.000 2.298 435 G HA2 0.152 4.111 3.960 -0.000 0.000 0.309 435 G HA3 0.152 4.111 3.960 -0.000 0.000 0.309 435 G C -1.312 173.642 174.900 0.089 0.000 1.279 435 G CA -0.561 44.673 45.100 0.223 0.000 1.042 435 G HN 0.688 nan 8.290 nan 0.000 0.480 436 L N 1.474 122.696 121.223 -0.001 0.000 2.315 436 L HA 0.557 4.897 4.340 -0.000 0.000 0.283 436 L C 0.538 177.393 176.870 -0.026 0.000 1.089 436 L CA -0.756 54.065 54.840 -0.031 0.000 0.833 436 L CB 0.536 42.551 42.059 -0.074 0.000 1.170 436 L HN 0.604 nan 8.230 nan 0.000 0.442 437 N N 2.586 121.288 118.700 0.003 0.000 2.479 437 N HA 0.043 4.783 4.740 -0.000 0.000 0.257 437 N C 0.839 176.361 175.510 0.020 0.000 1.232 437 N CA 0.355 53.408 53.050 0.005 0.000 0.920 437 N CB 1.383 39.882 38.487 0.020 0.000 1.105 437 N HN 0.709 nan 8.380 nan 0.000 0.444 438 T N -0.185 114.382 114.554 0.021 0.000 2.812 438 T HA -0.029 4.321 4.350 -0.000 0.000 0.264 438 T C 0.803 175.597 174.700 0.157 0.000 1.042 438 T CA 1.445 63.578 62.100 0.056 0.000 1.140 438 T CB -0.073 68.782 68.868 -0.023 0.000 0.870 438 T HN 0.803 nan 8.240 nan 0.000 0.445 439 T N -1.058 113.560 114.554 0.107 0.000 2.778 439 T HA 0.450 4.800 4.350 -0.000 0.000 0.293 439 T C 0.541 175.261 174.700 0.033 0.000 1.144 439 T CA -0.246 61.901 62.100 0.078 0.000 1.010 439 T CB 1.671 70.601 68.868 0.104 0.000 1.325 439 T HN -0.034 nan 8.240 nan 0.000 0.515 440 S N -0.590 115.112 115.700 0.003 0.000 2.597 440 S HA 0.367 4.837 4.470 -0.000 0.000 0.224 440 S C 0.180 174.795 174.600 0.026 0.000 0.955 440 S CA -0.481 57.729 58.200 0.017 0.000 0.933 440 S CB -0.421 62.791 63.200 0.020 0.000 0.788 440 S HN 0.654 nan 8.310 nan 0.000 0.488 441 V N 1.974 121.908 119.914 0.033 0.000 2.350 441 V HA 0.658 4.778 4.120 -0.000 0.000 0.276 441 V C 0.449 176.574 176.094 0.052 0.000 1.028 441 V CA -0.569 61.756 62.300 0.042 0.000 0.860 441 V CB 0.705 32.554 31.823 0.044 0.000 0.990 441 V HN 0.464 nan 8.190 nan 0.000 0.453 442 K N 1.980 122.407 120.400 0.045 0.000 2.180 442 K HA 0.392 4.712 4.320 -0.000 0.000 0.250 442 K C 1.033 177.665 176.600 0.054 0.000 1.135 442 K CA 0.244 56.558 56.287 0.045 0.000 1.037 442 K CB 0.137 32.655 32.500 0.031 0.000 1.624 442 K HN 0.947 nan 8.250 nan 0.000 0.382 443 S N -0.013 115.731 115.700 0.073 0.000 2.470 443 S HA 0.283 4.753 4.470 -0.000 0.000 0.225 443 S C 1.831 176.483 174.600 0.086 0.000 1.006 443 S CA 0.829 59.079 58.200 0.084 0.000 0.934 443 S CB 0.056 63.324 63.200 0.112 0.000 0.778 443 S HN 1.862 nan 8.310 nan 0.000 0.517 444 G N 0.195 109.045 108.800 0.084 0.000 2.195 444 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.224 444 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.224 444 G C -0.049 174.923 174.900 0.120 0.000 0.990 444 G CA -0.046 45.104 45.100 0.083 0.000 0.639 444 G HN 0.484 nan 8.290 nan 0.000 0.514 445 Q N -0.094 119.805 119.800 0.165 0.000 2.212 445 Q HA 0.484 4.824 4.340 -0.000 0.000 0.238 445 Q C 1.252 177.390 176.000 0.229 0.000 0.955 445 Q CA -0.583 55.369 55.803 0.248 0.000 0.906 445 Q CB 0.767 29.706 28.738 0.335 0.000 1.215 445 Q HN 0.304 nan 8.270 nan 0.000 0.478 446 Q N -0.028 119.951 119.800 0.298 0.000 2.123 446 Q HA -0.086 4.254 4.340 -0.000 0.000 0.199 446 Q C 0.231 176.329 176.000 0.162 0.000 0.966 446 Q CA 1.081 57.033 55.803 0.247 0.000 0.845 446 Q CB 0.105 29.061 28.738 0.364 0.000 0.907 446 Q HN 0.547 nan 8.270 nan 0.000 0.439 447 W N 2.065 123.484 121.300 0.198 0.000 1.705 447 W HA 0.280 4.940 4.660 -0.000 0.000 0.361 447 W C -0.347 176.218 176.519 0.077 0.000 0.690 447 W CA -0.317 57.028 57.345 -0.001 0.000 1.989 447 W CB 0.415 29.738 29.460 -0.229 0.000 1.903 447 W HN -0.114 nan 8.180 nan 0.000 0.364 448 D N -0.686 119.820 120.400 0.176 0.000 2.665 448 D HA 0.369 5.009 4.640 -0.000 0.000 0.287 448 D C -0.581 175.759 176.300 0.066 0.000 1.266 448 D CA -0.747 53.339 54.000 0.142 0.000 0.830 448 D CB 1.293 42.185 40.800 0.153 0.000 1.356 448 D HN -0.099 nan 8.370 nan 0.000 0.437 449 A N 1.156 124.008 122.820 0.053 0.000 2.531 449 A HA 0.326 4.646 4.320 -0.000 0.000 0.236 449 A C -1.720 175.871 177.584 0.010 0.000 1.062 449 A CA -0.250 51.800 52.037 0.023 0.000 0.760 449 A CB -0.035 18.983 19.000 0.029 0.000 0.995 449 A HN 0.317 nan 8.150 nan 0.000 0.501 450 P HA 0.071 nan 4.420 nan 0.000 0.258 450 P C -0.586 176.668 177.300 -0.077 0.000 1.416 450 P CA -0.242 62.840 63.100 -0.031 0.000 0.927 450 P CB -0.039 31.644 31.700 -0.028 0.000 1.444 451 N N 1.006 119.636 118.700 -0.117 0.000 2.470 451 N HA 0.253 4.993 4.740 -0.000 0.000 0.268 451 N C 0.646 175.983 175.510 -0.289 0.000 1.136 451 N CA 0.356 53.240 53.050 -0.277 0.000 0.961 451 N CB 1.120 39.403 38.487 -0.341 0.000 1.067 451 N HN 0.065 nan 8.380 nan 0.000 0.468 452 G N 1.407 110.004 108.800 -0.338 0.000 2.417 452 G HA2 0.472 4.432 3.960 -0.000 0.000 0.320 452 G HA3 0.472 4.432 3.960 -0.000 0.000 0.320 452 G C -1.301 173.328 174.900 -0.453 0.000 1.204 452 G CA -0.587 44.365 45.100 -0.245 0.000 0.923 452 G HN 0.470 nan 8.290 nan 0.000 0.466 453 W N 1.869 122.897 121.300 -0.454 0.000 2.532 453 W HA 0.507 5.167 4.660 -0.000 0.000 0.321 453 W C 0.972 177.022 176.519 -0.781 0.000 1.037 453 W CA -0.434 56.538 57.345 -0.622 0.000 1.220 453 W CB 2.235 31.119 29.460 -0.959 0.000 1.361 453 W HN 0.728 nan 8.180 nan 0.000 0.468 454 A N 5.463 127.949 122.820 -0.557 0.000 1.903 454 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 454 A C -0.138 176.938 177.584 -0.847 0.000 1.191 454 A CA 2.125 53.743 52.037 -0.699 0.000 0.638 454 A CB -1.861 16.962 19.000 -0.295 0.000 0.823 454 A HN 0.514 nan 8.150 nan 0.000 0.451 455 P HA -0.146 nan 4.420 nan 0.000 0.218 455 P C 1.514 178.386 177.300 -0.713 0.000 1.148 455 P CA 1.124 63.209 63.100 -1.691 0.000 0.822 455 P CB -0.207 30.116 31.700 -2.294 0.000 0.784 456 L N -0.893 120.060 121.223 -0.451 0.000 2.095 456 L HA -0.120 4.220 4.340 -0.000 0.000 0.204 456 L C 2.925 179.671 176.870 -0.207 0.000 1.080 456 L CA 1.074 55.827 54.840 -0.144 0.000 0.759 456 L CB -1.172 40.893 42.059 0.010 0.000 0.914 456 L HN -0.067 nan 8.230 nan 0.000 0.439 457 Q N -0.247 119.338 119.800 -0.359 0.000 2.096 457 Q HA -0.295 4.045 4.340 -0.000 0.000 0.208 457 Q C 1.945 177.877 176.000 -0.113 0.000 0.993 457 Q CA 2.077 57.673 55.803 -0.344 0.000 0.862 457 Q CB -0.768 27.534 28.738 -0.728 0.000 0.915 457 Q HN 0.670 nan 8.270 nan 0.000 0.416 458 W N 0.795 121.932 121.300 -0.272 0.000 2.443 458 W HA -0.099 4.561 4.660 -0.000 0.000 0.296 458 W C 1.850 178.333 176.519 -0.059 0.000 1.202 458 W CA 0.892 58.188 57.345 -0.083 0.000 1.312 458 W CB 0.227 29.720 29.460 0.056 0.000 1.120 458 W HN -0.063 nan 8.180 nan 0.000 0.536 459 V N 1.766 121.550 119.914 -0.216 0.000 2.332 459 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 459 V C 2.650 178.534 176.094 -0.351 0.000 1.055 459 V CA 2.268 64.179 62.300 -0.648 0.000 1.038 459 V CB -1.458 29.773 31.823 -0.987 0.000 0.651 459 V HN 0.273 nan 8.190 nan 0.000 0.450 460 A N -0.538 122.152 122.820 -0.217 0.000 1.898 460 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 460 A C 2.397 179.920 177.584 -0.103 0.000 1.181 460 A CA 2.423 54.394 52.037 -0.109 0.000 0.620 460 A CB -0.900 18.059 19.000 -0.069 0.000 0.819 460 A HN 0.504 nan 8.150 nan 0.000 0.442 461 T N -0.380 114.076 114.554 -0.163 0.000 2.643 461 T HA -0.135 4.215 4.350 -0.000 0.000 0.264 461 T C 1.839 176.387 174.700 -0.254 0.000 1.045 461 T CA 1.432 63.421 62.100 -0.185 0.000 1.155 461 T CB -0.274 68.476 68.868 -0.196 0.000 0.863 461 T HN 0.551 nan 8.240 nan 0.000 0.420 462 E N 0.232 120.165 120.200 -0.445 0.000 2.204 462 E HA -0.084 4.266 4.350 -0.000 0.000 0.195 462 E C 2.369 178.948 176.600 -0.035 0.000 0.990 462 E CA 0.841 57.052 56.400 -0.315 0.000 0.821 462 E CB -0.232 29.271 29.700 -0.328 0.000 0.750 462 E HN 0.545 nan 8.360 nan 0.000 0.477 463 G N 0.725 109.556 108.800 0.051 0.000 2.395 463 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.214 463 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.214 463 G C 1.573 176.566 174.900 0.155 0.000 1.177 463 G CA 0.033 45.216 45.100 0.138 0.000 0.794 463 G HN 0.108 nan 8.290 nan 0.000 0.532 464 L N 0.095 121.362 121.223 0.074 0.000 2.141 464 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 464 L C 3.131 180.064 176.870 0.105 0.000 1.094 464 L CA 0.777 55.669 54.840 0.088 0.000 0.763 464 L CB -0.224 41.860 42.059 0.041 0.000 0.908 464 L HN 0.171 nan 8.230 nan 0.000 0.437 465 Q N -0.168 119.660 119.800 0.047 0.000 2.119 465 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 465 Q C 1.933 177.953 176.000 0.033 0.000 0.972 465 Q CA 1.003 56.822 55.803 0.028 0.000 0.847 465 Q CB -0.291 28.431 28.738 -0.027 0.000 0.903 465 Q HN 0.530 nan 8.270 nan 0.000 0.433 466 N N 0.044 118.773 118.700 0.049 0.000 2.205 466 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 466 N C 0.522 175.936 175.510 -0.160 0.000 1.015 466 N CA 1.152 54.175 53.050 -0.045 0.000 0.862 466 N CB -0.170 38.309 38.487 -0.014 0.000 0.986 466 N HN 0.362 nan 8.380 nan 0.000 0.429 467 Y N -0.611 119.690 120.300 0.002 0.000 2.720 467 Y HA 0.335 4.885 4.550 -0.000 0.000 0.277 467 Y C 1.388 177.297 175.900 0.015 0.000 1.144 467 Y CA -0.385 57.722 58.100 0.012 0.000 1.221 467 Y CB 0.258 38.733 38.460 0.024 0.000 1.163 467 Y HN 0.008 nan 8.280 nan 0.000 0.537 468 G N 0.480 109.337 108.800 0.094 0.000 2.233 468 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.270 468 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.270 468 G C 0.445 175.394 174.900 0.082 0.000 1.011 468 G CA 0.054 45.195 45.100 0.069 0.000 0.762 468 G HN 0.380 nan 8.290 nan 0.000 0.511 469 Q N -0.139 119.722 119.800 0.100 0.000 2.894 469 Q HA 0.201 4.541 4.340 -0.000 0.000 0.358 469 Q C 1.795 177.833 176.000 0.064 0.000 1.155 469 Q CA 0.035 55.886 55.803 0.081 0.000 0.960 469 Q CB 0.350 29.141 28.738 0.088 0.000 1.428 469 Q HN 0.423 nan 8.270 nan 0.000 0.437 470 K N 0.689 121.126 120.400 0.060 0.000 2.089 470 K HA -0.271 4.049 4.320 -0.000 0.000 0.210 470 K C 2.312 178.951 176.600 0.066 0.000 1.048 470 K CA 1.838 58.162 56.287 0.062 0.000 0.926 470 K CB -0.539 31.998 32.500 0.062 0.000 0.714 470 K HN 0.783 nan 8.250 nan 0.000 0.448 471 E N 0.310 120.544 120.200 0.056 0.000 2.013 471 E HA -0.215 4.135 4.350 -0.000 0.000 0.202 471 E C 2.210 178.836 176.600 0.044 0.000 1.018 471 E CA 2.219 58.648 56.400 0.049 0.000 0.834 471 E CB -1.282 nan 29.700 nan 0.000 0.770 471 E HN 0.314 nan 8.360 nan 0.000 0.459 472 V N 1.266 121.199 119.914 0.031 0.000 2.332 472 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 472 V C 2.956 179.056 176.094 0.010 0.000 1.055 472 V CA 2.074 64.380 62.300 0.009 0.000 1.038 472 V CB -1.150 30.681 31.823 0.014 0.000 0.651 472 V HN 0.706 nan 8.190 nan 0.000 0.450 473 A N -0.643 122.195 122.820 0.030 0.000 1.908 473 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 473 A C 2.164 179.788 177.584 0.067 0.000 1.181 473 A CA 2.585 54.639 52.037 0.028 0.000 0.627 473 A CB -0.546 18.468 19.000 0.024 0.000 0.818 473 A HN 0.450 nan 8.150 nan 0.000 0.445 474 M N -0.430 119.239 119.600 0.115 0.000 2.254 474 M HA -0.026 4.454 4.480 -0.000 0.000 0.265 474 M C 1.159 177.643 176.300 0.307 0.000 1.066 474 M CA 1.398 56.840 55.300 0.236 0.000 1.123 474 M CB -0.497 32.259 32.600 0.259 0.000 1.388 474 M HN 0.356 nan 8.290 nan 0.000 0.425 475 D N -0.182 120.297 120.400 0.131 0.000 2.117 475 D HA -0.098 4.541 4.640 -0.000 0.000 0.197 475 D C 1.996 178.219 176.300 -0.128 0.000 0.987 475 D CA 1.354 55.351 54.000 -0.004 0.000 0.829 475 D CB -0.243 40.450 40.800 -0.178 0.000 0.961 475 D HN 0.352 nan 8.370 nan 0.000 0.460 476 I N 0.519 121.043 120.570 -0.076 0.000 2.163 476 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 476 I C 2.354 178.541 176.117 0.116 0.000 1.085 476 I CA 0.889 62.172 61.300 -0.029 0.000 1.347 476 I CB -0.234 37.747 38.000 -0.032 0.000 1.044 476 I HN -0.088 nan 8.210 nan 0.000 0.408 477 S N -0.099 115.680 115.700 0.132 0.000 2.353 477 S HA -0.232 4.238 4.470 -0.000 0.000 0.222 477 S C 1.639 176.306 174.600 0.112 0.000 1.035 477 S CA 1.665 59.939 58.200 0.122 0.000 1.025 477 S CB -0.519 62.717 63.200 0.060 0.000 0.902 477 S HN 0.423 nan 8.310 nan 0.000 0.440 478 W N 1.506 122.889 121.300 0.138 0.000 2.335 478 W HA -0.094 4.565 4.660 -0.000 0.000 0.311 478 W C 2.517 179.126 176.519 0.151 0.000 1.213 478 W CA 1.307 58.733 57.345 0.134 0.000 1.274 478 W CB -0.691 28.865 29.460 0.160 0.000 1.148 478 W HN 0.499 nan 8.180 nan 0.000 0.498 479 H N -2.154 117.066 119.070 0.250 0.000 2.321 479 H HA -0.198 4.358 4.556 -0.000 0.000 0.300 479 H C 2.059 177.432 175.328 0.075 0.000 1.087 479 H CA 1.580 57.712 56.048 0.140 0.000 1.319 479 H CB -0.685 29.153 29.762 0.127 0.000 1.379 479 H HN 0.106 nan 8.280 nan 0.000 0.501 480 F N 1.457 121.450 119.950 0.071 0.000 2.146 480 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 480 F C 2.290 177.968 175.800 -0.203 0.000 1.096 480 F CA 0.788 58.727 58.000 -0.101 0.000 1.275 480 F CB -0.444 38.490 39.000 -0.110 0.000 1.008 480 F HN -0.028 nan 8.300 nan 0.000 0.480 481 L N -0.637 120.513 121.223 -0.122 0.000 2.083 481 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 481 L C 2.290 178.962 176.870 -0.329 0.000 1.083 481 L CA 1.780 56.453 54.840 -0.278 0.000 0.752 481 L CB -0.958 40.955 42.059 -0.243 0.000 0.899 481 L HN 0.129 nan 8.230 nan 0.000 0.433 482 T N -0.874 113.537 114.554 -0.238 0.000 2.788 482 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 482 T C 1.739 176.115 174.700 -0.542 0.000 1.044 482 T CA 1.266 63.140 62.100 -0.376 0.000 1.139 482 T CB -0.249 68.469 68.868 -0.250 0.000 0.867 482 T HN 0.254 nan 8.240 nan 0.000 0.454 483 N N 1.079 119.533 118.700 -0.411 0.000 2.058 483 N HA -0.092 4.648 4.740 -0.000 0.000 0.191 483 N C 1.888 177.116 175.510 -0.469 0.000 1.037 483 N CA 1.060 53.889 53.050 -0.369 0.000 0.848 483 N CB -0.663 37.596 38.487 -0.380 0.000 1.021 483 N HN 0.189 nan 8.380 nan 0.000 0.422 484 V N 1.000 120.413 119.914 -0.836 0.000 2.287 484 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 484 V C 2.523 178.470 176.094 -0.245 0.000 1.053 484 V CA 1.986 63.858 62.300 -0.714 0.000 1.027 484 V CB -0.731 30.600 31.823 -0.819 0.000 0.646 484 V HN 0.367 nan 8.190 nan 0.000 0.447 485 Q N -0.566 119.087 119.800 -0.244 0.000 2.084 485 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 485 Q C 2.174 178.229 176.000 0.092 0.000 0.978 485 Q CA 1.916 57.680 55.803 -0.065 0.000 0.844 485 Q CB -0.319 28.351 28.738 -0.114 0.000 0.898 485 Q HN 0.740 nan 8.270 nan 0.000 0.426 486 H N -1.087 117.967 119.070 -0.027 0.000 2.353 486 H HA -0.040 4.516 4.556 -0.000 0.000 0.300 486 H C 2.020 177.345 175.328 -0.004 0.000 1.090 486 H CA 1.867 57.905 56.048 -0.016 0.000 1.327 486 H CB -0.632 29.113 29.762 -0.028 0.000 1.383 486 H HN 0.281 nan 8.280 nan 0.000 0.508 487 T N 0.566 115.213 114.554 0.154 0.000 2.777 487 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 487 T C 1.846 176.592 174.700 0.077 0.000 1.040 487 T CA 1.224 63.393 62.100 0.115 0.000 1.141 487 T CB -0.469 68.516 68.868 0.196 0.000 0.868 487 T HN 0.358 nan 8.240 nan 0.000 0.444 488 Y N 2.412 122.699 120.300 -0.022 0.000 2.181 488 Y HA -0.169 4.381 4.550 -0.000 0.000 0.288 488 Y C 2.005 177.861 175.900 -0.073 0.000 1.146 488 Y CA 1.351 59.399 58.100 -0.087 0.000 1.164 488 Y CB -0.444 37.940 38.460 -0.126 0.000 0.982 488 Y HN 0.147 nan 8.280 nan 0.000 0.515 489 D N -0.178 120.153 120.400 -0.114 0.000 2.117 489 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 489 D C 2.551 178.737 176.300 -0.190 0.000 0.987 489 D CA 2.134 56.034 54.000 -0.166 0.000 0.829 489 D CB -0.371 40.423 40.800 -0.011 0.000 0.961 489 D HN 0.466 nan 8.370 nan 0.000 0.460 490 R N 0.904 121.331 120.500 -0.121 0.000 2.055 490 R HA 0.038 4.378 4.340 -0.000 0.000 0.226 490 R C 2.089 178.313 176.300 -0.126 0.000 1.135 490 R CA 1.446 57.482 56.100 -0.107 0.000 0.959 490 R CB -1.057 29.202 30.300 -0.069 0.000 0.854 490 R HN 0.184 nan 8.270 nan 0.000 0.431 491 E N -0.944 119.180 120.200 -0.126 0.000 2.476 491 E HA 0.176 4.526 4.350 -0.000 0.000 0.199 491 E C -0.318 176.193 176.600 -0.148 0.000 1.021 491 E CA 0.035 56.370 56.400 -0.107 0.000 0.907 491 E CB 0.716 30.381 29.700 -0.058 0.000 0.974 491 E HN 0.495 nan 8.360 nan 0.000 0.489 492 K N 0.699 120.912 120.400 -0.310 0.000 3.129 492 K HA -0.241 4.079 4.320 -0.000 0.000 0.273 492 K C -0.690 175.808 176.600 -0.171 0.000 1.123 492 K CA 1.138 57.147 56.287 -0.464 0.000 0.800 492 K CB -1.625 30.697 32.500 -0.296 0.000 1.238 492 K HN 0.217 nan 8.250 nan 0.000 0.492 493 K N -0.993 119.404 120.400 -0.005 0.000 2.522 493 K HA 0.627 4.947 4.320 -0.000 0.000 0.275 493 K C -1.223 175.480 176.600 0.172 0.000 1.006 493 K CA -1.242 55.115 56.287 0.117 0.000 0.890 493 K CB 1.516 34.091 32.500 0.124 0.000 1.475 493 K HN -0.065 nan 8.250 nan 0.000 0.441 494 L N 1.166 122.509 121.223 0.201 0.000 2.334 494 L HA 0.562 4.902 4.340 -0.000 0.000 0.276 494 L C -0.154 176.831 176.870 0.192 0.000 1.014 494 L CA -0.638 54.336 54.840 0.223 0.000 0.815 494 L CB 1.885 44.069 42.059 0.209 0.000 1.268 494 L HN 0.643 nan 8.230 nan 0.000 0.428 495 V N -0.889 119.074 119.914 0.082 0.000 3.181 495 V HA 0.543 4.663 4.120 -0.000 0.000 0.314 495 V C 0.835 176.780 176.094 -0.249 0.000 1.173 495 V CA -0.456 61.753 62.300 -0.152 0.000 1.052 495 V CB 1.586 33.173 31.823 -0.393 0.000 1.123 495 V HN 0.878 nan 8.190 nan 0.000 0.454 496 E N 0.933 120.763 120.200 -0.616 0.000 2.208 496 E HA 0.017 4.367 4.350 -0.000 0.000 0.193 496 E C 0.445 176.798 176.600 -0.411 0.000 0.988 496 E CA 0.899 56.782 56.400 -0.862 0.000 0.828 496 E CB 0.077 29.056 29.700 -1.202 0.000 0.763 496 E HN 0.828 nan 8.360 nan 0.000 0.478 497 K N -0.957 118.997 120.400 -0.744 0.000 2.556 497 K HA 0.415 4.735 4.320 -0.000 0.000 0.274 497 K C -1.813 174.271 176.600 -0.860 0.000 0.966 497 K CA -0.918 54.774 56.287 -0.992 0.000 0.865 497 K CB 1.242 32.612 32.500 -1.885 0.000 1.444 497 K HN -0.060 nan 8.250 nan 0.000 0.433 498 Y N -0.023 120.014 120.300 -0.439 0.000 2.499 498 Y HA 0.237 4.787 4.550 -0.000 0.000 0.347 498 Y C -0.693 175.061 175.900 -0.244 0.000 0.987 498 Y CA -0.861 57.083 58.100 -0.259 0.000 1.044 498 Y CB 2.114 40.477 38.460 -0.162 0.000 1.245 498 Y HN 0.679 nan 8.280 nan 0.000 0.461 499 D N 2.000 122.359 120.400 -0.069 0.000 2.325 499 D HA 0.089 4.728 4.640 -0.000 0.000 0.251 499 D C 0.784 177.092 176.300 0.014 0.000 1.196 499 D CA 0.135 54.099 54.000 -0.060 0.000 0.866 499 D CB 1.651 42.410 40.800 -0.069 0.000 1.101 499 D HN 0.501 nan 8.370 nan 0.000 0.476 500 V N 2.072 121.996 119.914 0.017 0.000 3.573 500 V HA -0.047 4.073 4.120 -0.000 0.000 0.270 500 V C 1.815 177.939 176.094 0.050 0.000 1.221 500 V CA 1.133 63.468 62.300 0.058 0.000 1.163 500 V CB -0.635 31.227 31.823 0.065 0.000 0.847 500 V HN 0.497 nan 8.190 nan 0.000 0.468 501 S N 1.467 117.183 115.700 0.026 0.000 2.383 501 S HA -0.035 4.435 4.470 -0.000 0.000 0.227 501 S C 1.198 175.813 174.600 0.025 0.000 1.026 501 S CA 0.991 59.206 58.200 0.025 0.000 0.981 501 S CB -0.712 62.494 63.200 0.011 0.000 0.818 501 S HN 0.986 nan 8.310 nan 0.000 0.472 502 T N -0.669 113.899 114.554 0.023 0.000 2.858 502 T HA 0.654 5.004 4.350 -0.000 0.000 0.285 502 T C -0.068 174.654 174.700 0.038 0.000 1.052 502 T CA -0.225 61.890 62.100 0.025 0.000 1.009 502 T CB 1.428 70.306 68.868 0.017 0.000 1.241 502 T HN 0.389 nan 8.240 nan 0.000 0.542 513 P HA 0.305 nan 4.420 nan 0.000 0.272 513 P C -0.959 176.368 177.300 0.045 0.000 1.240 513 P CA -0.625 62.501 63.100 0.044 0.000 0.791 513 P CB 0.731 32.474 31.700 0.071 0.000 0.978 514 L N 1.801 123.003 121.223 -0.035 0.000 2.477 514 L HA 0.049 4.389 4.340 -0.000 0.000 0.272 514 L C 0.065 176.949 176.870 0.024 0.000 1.157 514 L CA 0.548 55.351 54.840 -0.061 0.000 0.889 514 L CB -0.273 41.700 42.059 -0.144 0.000 1.158 514 L HN 0.205 nan 8.230 nan 0.000 0.473 515 Q N 3.430 123.281 119.800 0.086 0.000 2.235 515 Q HA 0.342 4.682 4.340 -0.000 0.000 0.250 515 Q C -0.746 175.328 176.000 0.123 0.000 0.909 515 Q CA -0.476 55.428 55.803 0.169 0.000 0.910 515 Q CB 1.668 30.639 28.738 0.389 0.000 1.223 515 Q HN 0.780 nan 8.270 nan 0.000 0.432 516 D N -1.407 119.136 120.400 0.237 0.000 2.414 516 D HA 0.773 5.413 4.640 -0.000 0.000 0.241 516 D C 0.500 177.037 176.300 0.395 0.000 1.008 516 D CA -0.436 53.722 54.000 0.263 0.000 1.001 516 D CB 1.690 42.582 40.800 0.154 0.000 1.277 516 D HN 0.543 nan 8.370 nan 0.000 0.538 517 G N -0.836 108.163 108.800 0.333 0.000 2.911 517 G HA2 0.089 4.049 3.960 -0.000 0.000 0.103 517 G HA3 0.089 4.049 3.960 -0.000 0.000 0.103 517 G C -1.265 173.743 174.900 0.180 0.000 2.154 517 G CA -0.475 44.741 45.100 0.193 0.000 1.076 517 G HN 0.568 nan 8.290 nan 0.000 0.296 518 F N 2.089 122.073 119.950 0.057 0.000 2.557 518 F HA 0.574 5.101 4.527 -0.000 0.000 0.316 518 F C 1.253 177.109 175.800 0.094 0.000 1.141 518 F CA 0.435 58.483 58.000 0.079 0.000 0.922 518 F CB 1.747 40.827 39.000 0.133 0.000 1.194 518 F HN 0.696 nan 8.300 nan 0.000 0.443 519 G N 5.134 113.728 108.800 -0.342 0.000 2.833 519 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.226 519 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.226 519 G C 1.093 176.127 174.900 0.222 0.000 1.228 519 G CA 1.789 46.841 45.100 -0.080 0.000 0.779 519 G HN 0.920 nan 8.290 nan 0.000 0.651 520 W N 0.816 122.193 121.300 0.128 0.000 2.425 520 W HA 0.188 4.848 4.660 -0.000 0.000 0.277 520 W C 2.074 178.679 176.519 0.142 0.000 1.231 520 W CA 1.406 58.828 57.345 0.128 0.000 1.248 520 W CB -1.476 27.983 29.460 -0.002 0.000 1.117 520 W HN 0.145 nan 8.180 nan 0.000 0.568 521 T N 1.997 116.994 114.554 0.738 0.000 2.777 521 T HA -0.220 4.130 4.350 -0.000 0.000 0.266 521 T C 1.542 176.396 174.700 0.256 0.000 1.040 521 T CA 2.063 64.451 62.100 0.480 0.000 1.141 521 T CB -0.383 68.815 68.868 0.549 0.000 0.868 521 T HN 0.108 nan 8.240 nan 0.000 0.444 522 N N 1.072 119.897 118.700 0.210 0.000 2.106 522 N HA -0.008 4.732 4.740 -0.000 0.000 0.188 522 N C 2.140 177.712 175.510 0.105 0.000 1.029 522 N CA 1.297 54.378 53.050 0.052 0.000 0.848 522 N CB -0.959 37.440 38.487 -0.147 0.000 1.007 522 N HN 0.458 nan 8.380 nan 0.000 0.423 523 G N 0.600 109.531 108.800 0.219 0.000 2.421 523 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 523 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 523 G C 1.609 176.462 174.900 -0.078 0.000 1.171 523 G CA 0.867 46.052 45.100 0.140 0.000 0.775 523 G HN 0.206 nan 8.290 nan 0.000 0.543 524 V N 0.932 120.807 119.914 -0.066 0.000 2.427 524 V HA -0.155 3.964 4.120 -0.000 0.000 0.248 524 V C 3.139 179.149 176.094 -0.140 0.000 1.051 524 V CA 2.235 64.407 62.300 -0.214 0.000 1.048 524 V CB -0.789 30.981 31.823 -0.088 0.000 0.666 524 V HN 0.380 nan 8.190 nan 0.000 0.456 525 T N 0.706 115.238 114.554 -0.037 0.000 2.708 525 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 525 T C 1.890 176.527 174.700 -0.104 0.000 1.037 525 T CA 1.658 63.719 62.100 -0.065 0.000 1.146 525 T CB -0.323 68.492 68.868 -0.089 0.000 0.865 525 T HN 0.316 nan 8.240 nan 0.000 0.435 526 L N 0.451 121.617 121.223 -0.095 0.000 2.042 526 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 526 L C 2.780 179.576 176.870 -0.123 0.000 1.076 526 L CA 1.119 55.907 54.840 -0.086 0.000 0.749 526 L CB -0.543 41.499 42.059 -0.028 0.000 0.893 526 L HN 0.104 nan 8.230 nan 0.000 0.432 527 K N -0.105 120.153 120.400 -0.236 0.000 2.026 527 K HA -0.097 4.223 4.320 -0.000 0.000 0.208 527 K C 2.063 178.601 176.600 -0.105 0.000 1.048 527 K CA 1.541 57.635 56.287 -0.321 0.000 0.929 527 K CB -0.351 31.565 32.500 -0.975 0.000 0.713 527 K HN 0.337 nan 8.250 nan 0.000 0.439 528 M N 0.431 119.986 119.600 -0.075 0.000 2.099 528 M HA -0.093 4.387 4.480 -0.000 0.000 0.262 528 M C 2.308 178.567 176.300 -0.067 0.000 1.067 528 M CA 1.175 56.508 55.300 0.055 0.000 1.124 528 M CB -0.352 32.289 32.600 0.069 0.000 1.353 528 M HN 0.029 nan 8.290 nan 0.000 0.410 529 L N 0.360 121.514 121.223 -0.115 0.000 1.997 529 L HA -0.323 4.017 4.340 -0.000 0.000 0.216 529 L C 1.995 178.807 176.870 -0.096 0.000 1.074 529 L CA 1.504 56.258 54.840 -0.143 0.000 0.763 529 L CB -0.813 41.175 42.059 -0.119 0.000 0.890 529 L HN 0.320 nan 8.230 nan 0.000 0.434 530 D N -0.396 119.977 120.400 -0.046 0.000 2.149 530 D HA -0.190 4.450 4.640 -0.000 0.000 0.198 530 D C 2.241 178.555 176.300 0.024 0.000 0.990 530 D CA 0.936 54.934 54.000 -0.003 0.000 0.839 530 D CB -0.101 40.709 40.800 0.017 0.000 0.948 530 D HN 0.264 nan 8.370 nan 0.000 0.460 531 L N 0.690 121.938 121.223 0.041 0.000 2.072 531 L HA -0.064 4.276 4.340 -0.000 0.000 0.205 531 L C 2.255 179.140 176.870 0.024 0.000 1.079 531 L CA 0.892 55.776 54.840 0.074 0.000 0.752 531 L CB -0.221 41.923 42.059 0.141 0.000 0.906 531 L HN 0.096 nan 8.230 nan 0.000 0.436 532 I N -3.542 116.969 120.570 -0.098 0.000 3.111 532 I HA -0.031 4.139 4.170 -0.000 0.000 0.272 532 I C 0.566 176.689 176.117 0.010 0.000 1.268 532 I CA -0.045 61.155 61.300 -0.166 0.000 1.467 532 I CB -0.410 37.065 38.000 -0.876 0.000 1.087 532 I HN 0.077 nan 8.210 nan 0.000 0.467 533 c N 1.066 119.669 118.600 0.005 0.000 2.614 533 c HA 0.582 5.151 4.570 -0.000 0.000 0.320 533 c C -2.252 171.875 174.090 0.062 0.000 1.200 533 c CA -1.174 55.188 56.329 0.054 0.000 1.700 533 c CB 1.311 43.833 42.510 0.020 0.000 2.275 533 c HN 0.158 nan 8.230 nan 0.000 0.492 534 P HA 0.032 nan 4.420 nan 0.000 0.266 534 P C 0.626 177.956 177.300 0.049 0.000 1.193 534 P CA 0.259 63.396 63.100 0.061 0.000 0.770 534 P CB 0.530 32.265 31.700 0.059 0.000 0.836 535 K N 2.149 122.578 120.400 0.049 0.000 2.147 535 K HA -0.163 4.157 4.320 -0.000 0.000 0.205 535 K C 0.905 177.528 176.600 0.039 0.000 1.049 535 K CA 1.306 57.620 56.287 0.045 0.000 0.936 535 K CB 0.151 32.680 32.500 0.047 0.000 0.722 535 K HN 0.352 nan 8.250 nan 0.000 0.446 536 E N -0.588 119.635 120.200 0.038 0.000 2.474 536 E HA -0.012 4.338 4.350 -0.000 0.000 0.195 536 E C 0.153 176.772 176.600 0.032 0.000 1.039 536 E CA 0.355 56.775 56.400 0.033 0.000 0.881 536 E CB 1.285 31.004 29.700 0.032 0.000 0.970 536 E HN 0.385 nan 8.360 nan 0.000 0.486 537 Q N 1.517 121.338 119.800 0.035 0.000 3.122 537 Q HA 0.372 4.712 4.340 -0.000 0.000 0.282 537 Q C -2.678 173.342 176.000 0.033 0.000 0.947 537 Q CA -1.787 54.037 55.803 0.035 0.000 0.812 537 Q CB 0.302 29.063 28.738 0.039 0.000 1.333 537 Q HN -0.059 nan 8.270 nan 0.000 0.430 538 P HA 0.417 nan 4.420 nan 0.000 0.272 538 P C -0.334 176.973 177.300 0.013 0.000 1.223 538 P CA -0.292 62.819 63.100 0.017 0.000 0.784 538 P CB 1.016 32.724 31.700 0.014 0.000 0.923 539 c N 1.266 119.865 118.600 -0.001 0.000 2.365 539 c HA 0.328 4.898 4.570 -0.000 0.000 0.349 539 c C 1.299 175.376 174.090 -0.022 0.000 1.191 539 c CA -0.059 56.266 56.329 -0.006 0.000 2.114 539 c CB 0.656 43.157 42.510 -0.016 0.000 2.367 539 c HN 0.586 nan 8.230 nan 0.000 0.530 540 D N 0.251 120.642 120.400 -0.014 0.000 2.449 540 D HA 0.139 4.779 4.640 -0.000 0.000 0.210 540 D C 0.173 176.451 176.300 -0.037 0.000 1.094 540 D CA 0.674 54.660 54.000 -0.023 0.000 0.846 540 D CB 0.254 41.052 40.800 -0.003 0.000 1.003 540 D HN 0.550 nan 8.370 nan 0.000 0.504 541 N N -0.350 118.335 118.700 -0.025 0.000 2.405 541 N HA 0.254 4.994 4.740 -0.000 0.000 0.285 541 N C -0.753 174.732 175.510 -0.041 0.000 1.262 541 N CA -0.585 52.449 53.050 -0.026 0.000 0.773 541 N CB 2.686 41.188 38.487 0.026 0.000 1.490 541 N HN -0.310 nan 8.380 nan 0.000 0.486 542 V N 2.458 122.338 119.914 -0.057 0.000 2.479 542 V HA 0.130 4.250 4.120 -0.000 0.000 0.281 542 V C -1.890 174.232 176.094 0.048 0.000 1.031 542 V CA -0.888 61.369 62.300 -0.072 0.000 1.038 542 V CB -0.023 31.732 31.823 -0.114 0.000 0.981 542 V HN 0.512 nan 8.190 nan 0.000 0.478 543 P HA 0.059 nan 4.420 nan 0.000 0.262 543 P C 0.336 177.780 177.300 0.239 0.000 1.182 543 P CA 0.130 63.357 63.100 0.212 0.000 0.761 543 P CB 0.628 32.538 31.700 0.350 0.000 0.795 544 A N 2.602 125.513 122.820 0.151 0.000 2.276 544 A HA 0.157 4.477 4.320 -0.000 0.000 0.212 544 A C 0.364 178.002 177.584 0.091 0.000 1.230 544 A CA 0.774 52.888 52.037 0.128 0.000 0.844 544 A CB -0.441 18.620 19.000 0.102 0.000 0.860 544 A HN 0.492 nan 8.150 nan 0.000 0.486 545 T N -0.360 114.248 114.554 0.091 0.000 3.109 545 T HA 0.344 4.694 4.350 -0.000 0.000 0.311 545 T C -0.135 174.531 174.700 -0.057 0.000 1.011 545 T CA -0.642 61.462 62.100 0.008 0.000 1.026 545 T CB 1.689 70.560 68.868 0.004 0.000 1.047 545 T HN 0.528 nan 8.240 nan 0.000 0.448 546 R N 0.000 120.332 120.500 -0.280 0.000 2.786 546 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 546 R CA 0.000 55.666 56.100 -0.723 0.000 0.921 546 R CB 0.000 29.673 30.300 -1.044 0.000 0.687 546 R HN 0.000 nan 8.270 nan 0.000 0.535