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 3eoe_1_C DATA FIRST_RESID 23 DATA SEQUENCE QILEPRSEED WTAHRTRIVC TMGPACWNVD TLVKMIDAGM NVCRLNFSHG DATA SEQUENCE DHETHARTVQ NIQEAMKQRP EARLAILLDT KGPEIRTGFL KDHKPITLQQ DATA SEQUENCE GATLKIVTDY NLIGDETTIA CSYGALPQSV KPGNTILIAD GSLSVKVVEV DATA SEQUENCE GSDYVITQAQ NTATIGERKN MNLPNVKVQL PVIGEKDKHD ILNFGIPMGC DATA SEQUENCE NFIAASFVQS ADDVRYIRGL LGPRGRHIRI IPKIENVEGL VNFDEILAEA DATA SEQUENCE DGIMIARGDL GMEIPPEKVF LAQKMMIAKC NVVGKPVITA TQMLESMIKN DATA SEQUENCE PRPTRAEAAD VANAVLDGTD CVMLSGETAN GEFPVITVET MARICYEAET DATA SEQUENCE CVDYPALYRA MCLAVXXXIS TQEAVARAAV ETAECVNAAI ILALTETGQT DATA SEQUENCE ARLIAKYRPM QPILALSASE STIKHLQVIR GVTTMQVPXX QGTDHVIRNA DATA SEQUENCE IVVAKERXLV TEGESIVAVH GMXXXXXXXX NLLKVLTVE 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 23 Q HA 0.000 nan 4.340 nan 0.000 0.214 23 Q C 0.000 176.019 176.000 0.032 0.000 1.003 23 Q CA 0.000 55.819 55.803 0.027 0.000 1.022 23 Q CB 0.000 28.752 28.738 0.024 0.000 1.108 24 I N -0.274 120.311 120.570 0.024 0.000 3.645 24 I HA 0.586 4.756 4.170 0.000 0.000 0.300 24 I C 2.097 178.228 176.117 0.022 0.000 1.260 24 I CA 1.303 62.618 61.300 0.024 0.000 1.365 24 I CB 0.011 38.019 38.000 0.013 0.000 1.077 24 I HN 0.326 nan 8.210 nan 0.000 0.439 25 L N 1.172 122.406 121.223 0.019 0.000 2.599 25 L HA 0.306 4.646 4.340 0.000 0.000 0.230 25 L C 1.723 178.607 176.870 0.023 0.000 1.141 25 L CA 1.108 55.958 54.840 0.016 0.000 0.877 25 L CB -0.720 41.346 42.059 0.011 0.000 1.009 25 L HN 0.593 nan 8.230 nan 0.000 0.447 26 E N 0.945 121.165 120.200 0.033 0.000 2.152 26 E HA 0.445 4.795 4.350 0.000 0.000 0.285 26 E C -2.230 174.403 176.600 0.054 0.000 1.043 26 E CA -1.801 54.624 56.400 0.041 0.000 0.839 26 E CB -0.702 29.025 29.700 0.045 0.000 1.069 26 E HN 0.087 nan 8.360 nan 0.000 0.399 27 P HA 0.214 nan 4.420 nan 0.000 0.268 27 P C -0.394 176.962 177.300 0.092 0.000 1.205 27 P CA -0.539 62.598 63.100 0.061 0.000 0.771 27 P CB 0.585 32.314 31.700 0.048 0.000 0.858 28 R N 1.360 121.938 120.500 0.129 0.000 2.441 28 R HA 0.291 4.631 4.340 0.000 0.000 0.284 28 R C 0.631 177.052 176.300 0.201 0.000 1.070 28 R CA -0.171 56.035 56.100 0.177 0.000 1.047 28 R CB 0.606 31.056 30.300 0.249 0.000 1.016 28 R HN 0.648 nan 8.270 nan 0.000 0.477 29 S N 0.647 116.409 115.700 0.102 0.000 2.632 29 S HA 0.137 4.607 4.470 0.000 0.000 0.267 29 S C 0.964 175.485 174.600 -0.131 0.000 1.276 29 S CA -0.672 57.548 58.200 0.033 0.000 0.998 29 S CB 1.330 64.513 63.200 -0.029 0.000 0.953 29 S HN 0.537 nan 8.310 nan 0.000 0.547 30 E N 1.107 121.148 120.200 -0.266 0.000 2.153 30 E HA -0.156 4.194 4.350 0.000 0.000 0.194 30 E C 2.510 178.610 176.600 -0.834 0.000 0.988 30 E CA 1.431 57.318 56.400 -0.856 0.000 0.811 30 E CB -0.534 28.877 29.700 -0.483 0.000 0.746 30 E HN 0.946 nan 8.360 nan 0.000 0.466 31 E N 1.784 121.724 120.200 -0.434 0.000 2.153 31 E HA -0.220 4.130 4.350 0.000 0.000 0.194 31 E C 1.527 177.931 176.600 -0.327 0.000 0.988 31 E CA 1.636 57.846 56.400 -0.317 0.000 0.811 31 E CB -0.477 29.115 29.700 -0.180 0.000 0.746 31 E HN 0.201 nan 8.360 nan 0.000 0.466 32 D N -0.167 120.013 120.400 -0.366 0.000 2.087 32 D HA -0.115 4.525 4.640 0.000 0.000 0.201 32 D C 2.153 177.956 176.300 -0.828 0.000 0.980 32 D CA 1.444 55.166 54.000 -0.463 0.000 0.849 32 D CB -0.772 39.819 40.800 -0.347 0.000 1.001 32 D HN 0.859 nan 8.370 nan 0.000 0.452 33 W N 1.464 122.323 121.300 -0.734 0.000 2.465 33 W HA -0.027 4.633 4.660 0.000 0.000 0.268 33 W C 1.623 178.082 176.519 -0.100 0.000 1.242 33 W CA 1.406 58.380 57.345 -0.617 0.000 1.248 33 W CB -1.273 28.013 29.460 -0.290 0.000 1.118 33 W HN -0.089 nan 8.180 nan 0.000 0.587 34 T N 1.324 115.656 114.554 -0.369 0.000 3.007 34 T HA 0.214 4.564 4.350 0.000 0.000 0.270 34 T C 1.790 176.531 174.700 0.069 0.000 1.107 34 T CA 2.012 64.038 62.100 -0.123 0.000 1.118 34 T CB -0.376 68.228 68.868 -0.439 0.000 0.889 34 T HN 0.225 nan 8.240 nan 0.000 0.506 35 A N 1.490 124.323 122.820 0.022 0.000 2.337 35 A HA 0.422 4.742 4.320 0.000 0.000 0.227 35 A C 0.678 178.365 177.584 0.172 0.000 1.259 35 A CA -0.147 51.915 52.037 0.041 0.000 0.870 35 A CB -1.022 17.999 19.000 0.034 0.000 0.927 35 A HN 0.889 nan 8.150 nan 0.000 0.497 36 H N -2.274 116.961 119.070 0.276 0.000 2.913 36 H HA 0.332 4.888 4.556 0.000 0.000 0.365 36 H C 0.810 176.259 175.328 0.202 0.000 1.155 36 H CA 0.105 56.353 56.048 0.333 0.000 1.417 36 H CB 0.556 30.525 29.762 0.344 0.000 1.386 36 H HN 0.166 nan 8.280 nan 0.000 0.614 37 R N 1.062 121.670 120.500 0.180 0.000 2.254 37 R HA 0.087 4.427 4.340 0.000 0.000 0.193 37 R C -0.003 176.361 176.300 0.107 0.000 0.929 37 R CA 0.303 56.456 56.100 0.089 0.000 1.038 37 R CB 0.390 30.772 30.300 0.136 0.000 1.009 37 R HN 0.593 nan 8.270 nan 0.000 0.512 38 T N 2.780 117.460 114.554 0.209 0.000 2.916 38 T HA 0.140 4.490 4.350 0.000 0.000 0.303 38 T C 0.326 175.155 174.700 0.216 0.000 1.025 38 T CA -0.146 62.072 62.100 0.197 0.000 1.142 38 T CB 0.770 69.757 68.868 0.198 0.000 0.947 38 T HN -0.061 nan 8.240 nan 0.000 0.544 39 R N 2.323 122.902 120.500 0.133 0.000 2.500 39 R HA 0.516 4.856 4.340 0.000 0.000 0.275 39 R C -0.139 176.240 176.300 0.131 0.000 1.051 39 R CA -0.772 55.400 56.100 0.119 0.000 1.088 39 R CB 0.364 30.706 30.300 0.069 0.000 1.063 39 R HN 0.603 nan 8.270 nan 0.000 0.511 40 I N 1.607 122.261 120.570 0.140 0.000 2.418 40 I HA 0.246 4.416 4.170 0.000 0.000 0.287 40 I C -0.445 175.722 176.117 0.083 0.000 1.008 40 I CA -1.024 60.346 61.300 0.117 0.000 1.104 40 I CB 2.067 40.156 38.000 0.150 0.000 1.264 40 I HN 0.039 nan 8.210 nan 0.000 0.438 41 V N 5.402 125.350 119.914 0.056 0.000 2.394 41 V HA 0.353 4.473 4.120 0.000 0.000 0.282 41 V C -0.233 175.896 176.094 0.057 0.000 1.031 41 V CA -0.449 61.879 62.300 0.047 0.000 0.881 41 V CB 1.404 33.236 31.823 0.015 0.000 0.982 41 V HN 0.788 nan 8.190 nan 0.000 0.451 42 C N 3.144 122.485 119.300 0.069 0.000 2.417 42 C HA 0.583 5.044 4.460 0.000 0.000 0.324 42 C C 0.736 175.775 174.990 0.082 0.000 1.240 42 C CA -0.577 58.484 59.018 0.073 0.000 1.632 42 C CB 1.299 29.085 27.740 0.077 0.000 2.241 42 C HN 0.876 nan 8.230 nan 0.000 0.499 43 T N 5.419 120.022 114.554 0.082 0.000 2.817 43 T HA 0.277 4.627 4.350 0.000 0.000 0.293 43 T C 0.389 175.152 174.700 0.104 0.000 0.964 43 T CA -0.224 61.934 62.100 0.097 0.000 1.085 43 T CB 0.332 69.255 68.868 0.092 0.000 0.921 43 T HN 0.452 nan 8.240 nan 0.000 0.502 44 M N 2.822 122.498 119.600 0.125 0.000 2.242 44 M HA 0.557 5.037 4.480 0.000 0.000 0.344 44 M C 0.864 177.240 176.300 0.126 0.000 1.140 44 M CA -0.021 55.358 55.300 0.132 0.000 1.160 44 M CB 0.547 33.243 32.600 0.160 0.000 1.491 44 M HN 0.908 nan 8.290 nan 0.000 0.459 45 G N 2.121 110.997 108.800 0.127 0.000 2.441 45 G HA2 0.428 4.389 3.960 0.000 0.000 0.294 45 G HA3 0.428 4.389 3.960 0.000 0.000 0.294 45 G C -2.764 172.210 174.900 0.123 0.000 1.393 45 G CA -0.630 44.527 45.100 0.096 0.000 0.796 45 G HN 0.348 nan 8.290 nan 0.000 0.494 46 P HA -0.034 nan 4.420 nan 0.000 0.220 46 P C 1.812 179.163 177.300 0.085 0.000 1.148 46 P CA 1.815 64.939 63.100 0.040 0.000 0.803 46 P CB 0.104 31.763 31.700 -0.067 0.000 0.782 47 A N -0.030 122.824 122.820 0.058 0.000 2.067 47 A HA -0.112 4.208 4.320 0.000 0.000 0.219 47 A C 1.902 179.533 177.584 0.079 0.000 1.158 47 A CA 1.513 53.577 52.037 0.045 0.000 0.661 47 A CB -1.255 17.755 19.000 0.016 0.000 0.801 47 A HN 0.473 nan 8.150 nan 0.000 0.452 48 C N -4.905 114.463 119.300 0.114 0.000 2.778 48 C HA 0.491 4.951 4.460 0.000 0.000 0.252 48 C C 1.088 176.165 174.990 0.145 0.000 1.693 48 C CA -1.124 57.959 59.018 0.109 0.000 1.724 48 C CB -2.235 25.555 27.740 0.082 0.000 3.153 48 C HN 0.619 nan 8.230 nan 0.000 0.493 49 W N 3.272 124.576 121.300 0.006 0.000 2.453 49 W HA 0.129 4.790 4.660 0.000 0.000 0.289 49 W C 1.054 177.581 176.519 0.013 0.000 1.215 49 W CA 1.254 58.603 57.345 0.007 0.000 1.297 49 W CB -0.000 29.455 29.460 -0.009 0.000 1.113 49 W HN 0.583 nan 8.180 nan 0.000 0.551 50 N N 0.743 119.497 118.700 0.090 0.000 2.530 50 N HA -0.059 4.682 4.740 0.000 0.000 0.273 50 N C 0.865 176.290 175.510 -0.142 0.000 1.173 50 N CA 0.494 53.481 53.050 -0.105 0.000 0.967 50 N CB 1.501 40.048 38.487 0.100 0.000 1.109 50 N HN 0.053 nan 8.380 nan 0.000 0.453 51 V N 1.610 121.405 119.914 -0.199 0.000 2.324 51 V HA -0.275 3.845 4.120 0.000 0.000 0.250 51 V C 1.701 177.759 176.094 -0.061 0.000 1.060 51 V CA 2.075 64.293 62.300 -0.137 0.000 1.042 51 V CB -0.621 31.123 31.823 -0.132 0.000 0.650 51 V HN 0.682 nan 8.190 nan 0.000 0.450 52 D N -0.173 120.206 120.400 -0.034 0.000 2.123 52 D HA -0.145 4.495 4.640 0.000 0.000 0.196 52 D C 2.266 178.572 176.300 0.009 0.000 0.992 52 D CA 1.971 55.968 54.000 -0.005 0.000 0.833 52 D CB -0.327 40.478 40.800 0.008 0.000 0.954 52 D HN 0.447 nan 8.370 nan 0.000 0.455 53 T N 1.175 115.737 114.554 0.014 0.000 2.777 53 T HA -0.050 4.300 4.350 0.000 0.000 0.266 53 T C 2.286 177.003 174.700 0.029 0.000 1.040 53 T CA 0.433 62.551 62.100 0.031 0.000 1.141 53 T CB -0.217 68.677 68.868 0.044 0.000 0.868 53 T HN 0.108 nan 8.240 nan 0.000 0.444 54 L N 0.709 121.937 121.223 0.009 0.000 2.046 54 L HA -0.089 4.251 4.340 0.000 0.000 0.208 54 L C 2.652 179.534 176.870 0.020 0.000 1.077 54 L CA 0.840 55.687 54.840 0.011 0.000 0.747 54 L CB -0.653 41.395 42.059 -0.018 0.000 0.896 54 L HN 0.136 nan 8.230 nan 0.000 0.432 55 V N -0.086 119.835 119.914 0.011 0.000 2.343 55 V HA -0.302 3.818 4.120 0.000 0.000 0.247 55 V C 2.412 178.526 176.094 0.033 0.000 1.051 55 V CA 1.820 64.130 62.300 0.017 0.000 1.036 55 V CB -0.487 31.340 31.823 0.007 0.000 0.654 55 V HN 0.428 nan 8.190 nan 0.000 0.451 56 K N -0.713 119.710 120.400 0.040 0.000 2.211 56 K HA -0.059 4.261 4.320 0.000 0.000 0.203 56 K C 2.091 178.736 176.600 0.075 0.000 1.050 56 K CA 1.309 57.629 56.287 0.056 0.000 0.945 56 K CB -0.196 32.339 32.500 0.058 0.000 0.732 56 K HN 0.411 nan 8.250 nan 0.000 0.451 57 M N 0.245 119.887 119.600 0.070 0.000 2.254 57 M HA -0.066 4.414 4.480 0.000 0.000 0.265 57 M C 1.969 178.323 176.300 0.090 0.000 1.066 57 M CA 1.249 56.599 55.300 0.083 0.000 1.123 57 M CB -0.125 32.519 32.600 0.073 0.000 1.388 57 M HN 0.094 nan 8.290 nan 0.000 0.425 58 I N 0.378 120.991 120.570 0.073 0.000 2.142 58 I HA -0.315 3.855 4.170 0.000 0.000 0.240 58 I C 1.841 178.006 176.117 0.080 0.000 1.078 58 I CA 1.234 62.576 61.300 0.070 0.000 1.343 58 I CB -0.584 37.445 38.000 0.047 0.000 1.046 58 I HN 0.240 nan 8.210 nan 0.000 0.405 59 D N 1.109 121.551 120.400 0.071 0.000 2.158 59 D HA -0.178 4.462 4.640 0.000 0.000 0.197 59 D C 2.117 178.488 176.300 0.118 0.000 0.995 59 D CA 1.622 55.663 54.000 0.068 0.000 0.846 59 D CB -0.149 40.685 40.800 0.056 0.000 0.941 59 D HN 0.393 nan 8.370 nan 0.000 0.456 60 A N -0.635 122.284 122.820 0.165 0.000 2.119 60 A HA 0.360 4.680 4.320 0.000 0.000 0.216 60 A C 1.740 179.508 177.584 0.307 0.000 1.152 60 A CA 1.426 53.621 52.037 0.265 0.000 0.708 60 A CB 0.135 19.253 19.000 0.197 0.000 0.805 60 A HN 0.306 nan 8.150 nan 0.000 0.460 61 G N -1.715 107.225 108.800 0.234 0.000 2.174 61 G HA2 -0.108 3.852 3.960 0.000 0.000 0.140 61 G HA3 -0.108 3.852 3.960 0.000 0.000 0.140 61 G C 0.123 175.148 174.900 0.209 0.000 1.031 61 G CA -0.025 45.243 45.100 0.280 0.000 0.728 61 G HN 0.571 nan 8.290 nan 0.000 0.496 62 M N 0.819 120.507 119.600 0.147 0.000 2.246 62 M HA 0.410 4.890 4.480 0.000 0.000 0.350 62 M C 0.889 177.252 176.300 0.105 0.000 1.406 62 M CA 0.828 56.198 55.300 0.117 0.000 1.089 62 M CB 0.152 32.810 32.600 0.096 0.000 1.782 62 M HN 0.200 nan 8.290 nan 0.000 0.457 63 N N 2.634 121.395 118.700 0.102 0.000 2.460 63 N HA 0.198 4.938 4.740 0.000 0.000 0.193 63 N C -1.035 174.532 175.510 0.096 0.000 1.080 63 N CA -0.157 52.948 53.050 0.092 0.000 0.869 63 N CB 1.006 39.546 38.487 0.088 0.000 1.201 63 N HN 0.421 nan 8.380 nan 0.000 0.457 64 V N 0.798 120.767 119.914 0.091 0.000 2.789 64 V HA 0.390 4.510 4.120 0.000 0.000 0.311 64 V C -0.884 175.268 176.094 0.097 0.000 1.073 64 V CA -0.981 61.379 62.300 0.100 0.000 0.921 64 V CB 2.075 33.934 31.823 0.059 0.000 1.009 64 V HN 0.101 nan 8.190 nan 0.000 0.426 65 C N 4.257 123.627 119.300 0.117 0.000 2.251 65 C HA 0.541 5.001 4.460 0.000 0.000 0.323 65 C C 0.528 175.600 174.990 0.136 0.000 1.241 65 C CA -0.715 58.374 59.018 0.119 0.000 1.601 65 C CB 0.097 27.909 27.740 0.120 0.000 2.251 65 C HN 0.927 nan 8.230 nan 0.000 0.488 66 R N 3.766 124.340 120.500 0.123 0.000 2.234 66 R HA 0.537 4.877 4.340 0.000 0.000 0.324 66 R C -1.038 175.361 176.300 0.165 0.000 1.054 66 R CA -0.332 55.846 56.100 0.130 0.000 0.912 66 R CB 0.351 30.710 30.300 0.100 0.000 1.030 66 R HN 0.768 nan 8.270 nan 0.000 0.455 67 L N 4.259 125.601 121.223 0.199 0.000 2.265 67 L HA 0.254 4.594 4.340 0.000 0.000 0.288 67 L C 0.072 177.097 176.870 0.259 0.000 1.058 67 L CA -0.739 54.252 54.840 0.252 0.000 0.809 67 L CB 1.108 43.343 42.059 0.293 0.000 1.179 67 L HN 0.605 nan 8.230 nan 0.000 0.429 68 N N 2.685 121.537 118.700 0.252 0.000 2.469 68 N HA 0.142 4.882 4.740 0.000 0.000 0.239 68 N C 0.140 175.773 175.510 0.206 0.000 1.053 68 N CA -0.159 53.023 53.050 0.220 0.000 0.937 68 N CB 0.372 38.970 38.487 0.186 0.000 1.163 68 N HN 0.333 nan 8.380 nan 0.000 0.509 69 F N 1.256 121.174 119.950 -0.053 0.000 2.804 69 F HA 0.095 4.622 4.527 0.000 0.000 0.303 69 F C 2.035 177.815 175.800 -0.033 0.000 1.154 69 F CA 0.131 58.086 58.000 -0.075 0.000 1.401 69 F CB -0.033 38.855 39.000 -0.187 0.000 1.106 69 F HN 0.451 nan 8.300 nan 0.000 0.568 70 S N -1.376 114.337 115.700 0.023 0.000 2.440 70 S HA -0.110 4.361 4.470 0.000 0.000 0.238 70 S C 0.518 174.838 174.600 -0.466 0.000 1.010 70 S CA 0.975 59.038 58.200 -0.228 0.000 0.972 70 S CB -0.359 62.642 63.200 -0.331 0.000 0.774 70 S HN 0.331 nan 8.310 nan 0.000 0.501 71 H N -1.315 117.788 119.070 0.055 0.000 2.941 71 H HA 0.548 5.104 4.556 0.000 0.000 0.344 71 H C 0.706 176.011 175.328 -0.038 0.000 1.235 71 H CA -0.059 55.990 56.048 0.001 0.000 1.149 71 H CB 0.960 30.709 29.762 -0.023 0.000 1.885 71 H HN 0.306 nan 8.280 nan 0.000 0.558 72 G N 0.849 109.656 108.800 0.011 0.000 2.796 72 G HA2 -0.125 3.835 3.960 0.000 0.000 0.226 72 G HA3 -0.125 3.835 3.960 0.000 0.000 0.226 72 G C -0.890 173.956 174.900 -0.089 0.000 1.381 72 G CA 0.249 45.221 45.100 -0.213 0.000 0.867 72 G HN 0.935 nan 8.290 nan 0.000 0.552 73 D N -3.667 116.687 120.400 -0.076 0.000 2.744 73 D HA 0.531 5.171 4.640 0.000 0.000 0.304 73 D C 0.949 177.392 176.300 0.238 0.000 1.179 73 D CA -0.291 53.772 54.000 0.105 0.000 1.024 73 D CB 0.129 40.975 40.800 0.077 0.000 1.453 73 D HN 0.527 nan 8.370 nan 0.000 0.529 74 H N -0.639 118.534 119.070 0.173 0.000 2.421 74 H HA -0.065 4.491 4.556 0.000 0.000 0.298 74 H C 0.960 176.495 175.328 0.345 0.000 1.087 74 H CA 1.245 57.492 56.048 0.331 0.000 1.330 74 H CB 0.461 30.461 29.762 0.396 0.000 1.388 74 H HN 0.479 nan 8.280 nan 0.000 0.526 75 E N 0.120 120.516 120.200 0.327 0.000 2.046 75 E HA -0.117 4.233 4.350 0.000 0.000 0.190 75 E C 2.523 179.234 176.600 0.185 0.000 0.982 75 E CA 1.621 58.160 56.400 0.231 0.000 0.800 75 E CB 0.002 29.794 29.700 0.152 0.000 0.756 75 E HN 0.520 nan 8.360 nan 0.000 0.449 76 T N -0.884 113.725 114.554 0.090 0.000 2.857 76 T HA -0.137 4.213 4.350 0.000 0.000 0.266 76 T C 1.785 176.491 174.700 0.009 0.000 1.048 76 T CA 0.948 63.052 62.100 0.007 0.000 1.139 76 T CB -0.301 68.483 68.868 -0.140 0.000 0.874 76 T HN 0.156 nan 8.240 nan 0.000 0.455 77 H N 1.200 120.281 119.070 0.018 0.000 2.428 77 H HA 0.318 4.874 4.556 0.000 0.000 0.296 77 H C 2.743 178.272 175.328 0.334 0.000 1.062 77 H CA 1.221 57.261 56.048 -0.014 0.000 1.350 77 H CB -0.488 28.935 29.762 -0.564 0.000 1.403 77 H HN 0.568 nan 8.280 nan 0.000 0.533 78 A N 1.284 124.464 122.820 0.601 0.000 1.933 78 A HA -0.192 4.128 4.320 0.000 0.000 0.218 78 A C 2.457 180.204 177.584 0.272 0.000 1.175 78 A CA 1.708 54.029 52.037 0.474 0.000 0.628 78 A CB -0.300 18.913 19.000 0.356 0.000 0.814 78 A HN 0.221 nan 8.150 nan 0.000 0.444 79 R N -0.055 120.593 120.500 0.245 0.000 2.096 79 R HA -0.068 4.272 4.340 0.000 0.000 0.235 79 R C 1.993 178.387 176.300 0.158 0.000 1.127 79 R CA 2.485 58.708 56.100 0.206 0.000 0.968 79 R CB -1.512 28.953 30.300 0.275 0.000 0.861 79 R HN 0.417 nan 8.270 nan 0.000 0.440 80 T N 0.081 114.760 114.554 0.208 0.000 2.684 80 T HA -0.107 4.243 4.350 0.000 0.000 0.267 80 T C 1.797 176.556 174.700 0.099 0.000 1.036 80 T CA 1.686 63.866 62.100 0.133 0.000 1.148 80 T CB -0.353 68.641 68.868 0.210 0.000 0.863 80 T HN 0.038 nan 8.240 nan 0.000 0.436 81 V N 1.554 121.582 119.914 0.189 0.000 2.332 81 V HA -0.257 3.863 4.120 0.000 0.000 0.248 81 V C 2.585 178.715 176.094 0.060 0.000 1.055 81 V CA 1.789 64.179 62.300 0.150 0.000 1.038 81 V CB -0.724 31.219 31.823 0.201 0.000 0.651 81 V HN 0.534 nan 8.190 nan 0.000 0.450 82 Q N -0.204 119.624 119.800 0.046 0.000 2.124 82 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 82 Q C 2.165 178.132 176.000 -0.055 0.000 0.977 82 Q CA 1.655 57.458 55.803 0.000 0.000 0.850 82 Q CB -0.251 28.495 28.738 0.013 0.000 0.901 82 Q HN 0.628 nan 8.270 nan 0.000 0.429 83 N N 0.481 119.113 118.700 -0.113 0.000 2.188 83 N HA -0.086 4.654 4.740 0.000 0.000 0.184 83 N C 1.656 177.095 175.510 -0.119 0.000 1.018 83 N CA 0.957 53.885 53.050 -0.204 0.000 0.858 83 N CB -0.096 38.137 38.487 -0.423 0.000 0.989 83 N HN 0.244 nan 8.380 nan 0.000 0.426 84 I N 1.287 121.823 120.570 -0.056 0.000 2.179 84 I HA -0.294 3.876 4.170 0.000 0.000 0.242 84 I C 2.183 178.293 176.117 -0.011 0.000 1.088 84 I CA 1.209 62.502 61.300 -0.013 0.000 1.357 84 I CB -0.204 37.818 38.000 0.036 0.000 1.051 84 I HN 0.151 nan 8.210 nan 0.000 0.409 85 Q N 0.260 120.054 119.800 -0.011 0.000 2.124 85 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 85 Q C 2.098 178.084 176.000 -0.023 0.000 0.977 85 Q CA 1.464 57.260 55.803 -0.012 0.000 0.850 85 Q CB -0.090 28.642 28.738 -0.010 0.000 0.901 85 Q HN 0.526 nan 8.270 nan 0.000 0.429 86 E N 0.298 120.474 120.200 -0.039 0.000 2.106 86 E HA -0.148 4.202 4.350 0.000 0.000 0.192 86 E C 1.960 178.536 176.600 -0.040 0.000 0.984 86 E CA 0.791 57.164 56.400 -0.045 0.000 0.806 86 E CB -0.070 29.589 29.700 -0.068 0.000 0.750 86 E HN 0.351 nan 8.360 nan 0.000 0.458 87 A N 0.893 123.687 122.820 -0.043 0.000 1.933 87 A HA -0.181 4.140 4.320 0.000 0.000 0.218 87 A C 2.104 179.680 177.584 -0.013 0.000 1.175 87 A CA 1.272 53.292 52.037 -0.029 0.000 0.628 87 A CB -0.403 18.581 19.000 -0.027 0.000 0.814 87 A HN 0.152 nan 8.150 nan 0.000 0.444 88 M N -1.225 118.370 119.600 -0.009 0.000 2.296 88 M HA -0.121 4.359 4.480 0.000 0.000 0.265 88 M C 1.921 178.217 176.300 -0.006 0.000 1.064 88 M CA 1.299 56.598 55.300 -0.002 0.000 1.109 88 M CB -0.108 32.493 32.600 0.001 0.000 1.396 88 M HN 0.132 nan 8.290 nan 0.000 0.430 89 K N 0.374 120.768 120.400 -0.011 0.000 2.097 89 K HA -0.110 4.210 4.320 0.000 0.000 0.205 89 K C 1.826 178.420 176.600 -0.010 0.000 1.050 89 K CA 1.295 57.575 56.287 -0.011 0.000 0.938 89 K CB -0.250 32.241 32.500 -0.014 0.000 0.718 89 K HN 0.419 nan 8.250 nan 0.000 0.442 90 Q N -0.288 119.506 119.800 -0.010 0.000 2.245 90 Q HA 0.037 4.377 4.340 0.000 0.000 0.201 90 Q C -0.030 175.968 176.000 -0.004 0.000 0.955 90 Q CA 0.715 56.513 55.803 -0.007 0.000 0.870 90 Q CB 0.412 29.145 28.738 -0.008 0.000 0.945 90 Q HN -0.034 nan 8.270 nan 0.000 0.461 91 R N 0.438 120.937 120.500 -0.002 0.000 2.477 91 R HA 0.203 4.543 4.340 0.000 0.000 0.285 91 R C -2.257 174.043 176.300 0.000 0.000 1.415 91 R CA -1.771 54.329 56.100 0.001 0.000 1.446 91 R CB 0.788 31.092 30.300 0.007 0.000 1.110 91 R HN 0.058 nan 8.270 nan 0.000 0.590 92 P HA -0.051 nan 4.420 nan 0.000 0.223 92 P C 1.248 178.546 177.300 -0.003 0.000 1.151 92 P CA 1.086 64.183 63.100 -0.004 0.000 0.787 92 P CB 0.455 32.151 31.700 -0.006 0.000 0.788 93 E N 0.086 120.285 120.200 -0.002 0.000 2.285 93 E HA 0.188 4.538 4.350 0.000 0.000 0.194 93 E C 1.274 177.877 176.600 0.004 0.000 0.997 93 E CA 0.664 57.063 56.400 -0.001 0.000 0.845 93 E CB -0.985 28.712 29.700 -0.005 0.000 0.782 93 E HN 0.367 nan 8.360 nan 0.000 0.491 94 A N 1.016 123.841 122.820 0.009 0.000 2.401 94 A HA 0.570 4.890 4.320 0.000 0.000 0.259 94 A C 0.229 177.823 177.584 0.018 0.000 1.103 94 A CA -0.458 51.590 52.037 0.017 0.000 0.789 94 A CB 0.432 19.446 19.000 0.023 0.000 1.035 94 A HN 0.176 nan 8.150 nan 0.000 0.491 95 R N 3.245 123.760 120.500 0.025 0.000 2.983 95 R HA 0.230 4.570 4.340 0.000 0.000 0.300 95 R C -0.980 175.346 176.300 0.042 0.000 1.367 95 R CA -0.248 55.866 56.100 0.024 0.000 1.564 95 R CB -0.149 30.160 30.300 0.016 0.000 1.314 95 R HN 0.734 nan 8.270 nan 0.000 0.622 96 L N 1.385 122.638 121.223 0.049 0.000 2.559 96 L HA 0.113 4.453 4.340 0.000 0.000 0.274 96 L C 0.990 177.914 176.870 0.090 0.000 1.205 96 L CA 0.096 54.980 54.840 0.073 0.000 0.907 96 L CB 0.200 42.300 42.059 0.068 0.000 1.153 96 L HN 0.247 nan 8.230 nan 0.000 0.490 97 A N 5.699 128.603 122.820 0.140 0.000 2.340 97 A HA 0.676 4.996 4.320 0.000 0.000 0.268 97 A C -0.276 177.433 177.584 0.208 0.000 1.100 97 A CA -0.432 51.723 52.037 0.197 0.000 0.803 97 A CB 0.383 19.619 19.000 0.394 0.000 1.043 97 A HN 0.669 nan 8.150 nan 0.000 0.488 98 I N 1.723 122.412 120.570 0.198 0.000 2.378 98 I HA 0.369 4.539 4.170 0.000 0.000 0.291 98 I C -0.517 175.755 176.117 0.257 0.000 0.992 98 I CA -0.285 61.134 61.300 0.199 0.000 1.154 98 I CB 1.606 39.702 38.000 0.159 0.000 1.315 98 I HN 0.613 nan 8.210 nan 0.000 0.448 99 L N 7.442 128.811 121.223 0.243 0.000 2.333 99 L HA 0.562 4.902 4.340 0.000 0.000 0.280 99 L C -1.212 175.748 176.870 0.151 0.000 1.004 99 L CA -0.585 54.399 54.840 0.239 0.000 0.820 99 L CB 1.602 43.769 42.059 0.179 0.000 1.247 99 L HN 0.561 nan 8.230 nan 0.000 0.416 100 L N 4.915 126.188 121.223 0.083 0.000 2.264 100 L HA 0.405 4.745 4.340 0.000 0.000 0.289 100 L C -0.878 175.969 176.870 -0.037 0.000 1.044 100 L CA -0.284 54.525 54.840 -0.051 0.000 0.807 100 L CB 0.854 42.757 42.059 -0.259 0.000 1.192 100 L HN 0.615 nan 8.230 nan 0.000 0.425 101 D N 3.755 124.172 120.400 0.029 0.000 2.392 101 D HA 0.164 4.804 4.640 0.000 0.000 0.228 101 D C -0.047 176.284 176.300 0.052 0.000 1.074 101 D CA -0.203 53.827 54.000 0.051 0.000 0.838 101 D CB 1.328 42.181 40.800 0.090 0.000 1.067 101 D HN 0.591 nan 8.370 nan 0.000 0.511 102 T N 0.859 115.419 114.554 0.009 0.000 2.903 102 T HA 0.056 4.407 4.350 0.000 0.000 0.314 102 T C 1.330 176.067 174.700 0.062 0.000 1.078 102 T CA -0.276 61.836 62.100 0.020 0.000 1.114 102 T CB 1.671 70.545 68.868 0.010 0.000 0.987 102 T HN 0.409 nan 8.240 nan 0.000 0.548 103 K N 2.080 122.522 120.400 0.071 0.000 1.984 103 K HA 0.195 4.515 4.320 0.000 0.000 0.209 103 K C 1.323 177.926 176.600 0.004 0.000 1.046 103 K CA 1.279 57.582 56.287 0.028 0.000 0.934 103 K CB -1.069 31.446 32.500 0.025 0.000 0.717 103 K HN 1.179 nan 8.250 nan 0.000 0.438 104 G N 0.411 109.217 108.800 0.011 0.000 2.693 104 G HA2 -0.218 3.742 3.960 0.000 0.000 0.226 104 G HA3 -0.218 3.742 3.960 0.000 0.000 0.226 104 G C -2.587 172.269 174.900 -0.073 0.000 1.354 104 G CA -0.286 44.812 45.100 -0.003 0.000 0.873 104 G HN 0.317 nan 8.290 nan 0.000 0.562 105 P HA 0.392 nan 4.420 nan 0.000 0.276 105 P C -0.556 176.540 177.300 -0.340 0.000 1.230 105 P CA 0.416 63.368 63.100 -0.246 0.000 0.776 105 P CB 1.087 32.590 31.700 -0.327 0.000 0.888 106 E N 2.078 122.116 120.200 -0.270 0.000 2.248 106 E HA 0.520 4.870 4.350 0.000 0.000 0.267 106 E C -0.545 175.907 176.600 -0.246 0.000 0.877 106 E CA -0.787 55.459 56.400 -0.257 0.000 0.759 106 E CB 1.899 31.500 29.700 -0.165 0.000 1.182 106 E HN 0.393 nan 8.360 nan 0.000 0.418 107 I N 2.279 122.705 120.570 -0.241 0.000 2.404 107 I HA 0.494 4.664 4.170 0.000 0.000 0.293 107 I C -0.245 175.817 176.117 -0.093 0.000 0.992 107 I CA -0.596 60.602 61.300 -0.169 0.000 1.149 107 I CB 1.540 39.421 38.000 -0.198 0.000 1.315 107 I HN 0.250 nan 8.210 nan 0.000 0.446 108 R N 2.831 123.300 120.500 -0.051 0.000 2.673 108 R HA 0.491 4.831 4.340 0.000 0.000 0.281 108 R C -0.481 175.880 176.300 0.102 0.000 0.991 108 R CA -0.505 55.595 56.100 -0.002 0.000 0.896 108 R CB 1.906 32.190 30.300 -0.027 0.000 1.201 108 R HN 0.784 nan 8.270 nan 0.000 0.457 109 T N -0.291 114.308 114.554 0.074 0.000 2.766 109 T HA 0.497 4.847 4.350 0.000 0.000 0.295 109 T C 0.754 175.471 174.700 0.030 0.000 1.024 109 T CA -0.295 61.848 62.100 0.072 0.000 1.018 109 T CB 1.183 70.054 68.868 0.005 0.000 1.002 109 T HN 0.569 nan 8.240 nan 0.000 0.532 110 G N -0.319 108.391 108.800 -0.150 0.000 2.531 110 G HA2 0.557 4.517 3.960 0.000 0.000 0.281 110 G HA3 0.557 4.517 3.960 0.000 0.000 0.281 110 G C -0.735 173.873 174.900 -0.486 0.000 1.382 110 G CA -1.205 43.546 45.100 -0.582 0.000 1.045 110 G HN 0.622 nan 8.290 nan 0.000 0.533 111 F N -0.788 119.010 119.950 -0.254 0.000 2.406 111 F HA 0.516 5.044 4.527 0.000 0.000 0.327 111 F C 0.706 176.426 175.800 -0.132 0.000 1.153 111 F CA -0.138 57.779 58.000 -0.139 0.000 1.218 111 F CB 0.896 39.809 39.000 -0.145 0.000 1.215 111 F HN -0.024 nan 8.300 nan 0.000 0.570 112 L N 0.639 121.910 121.223 0.080 0.000 2.319 112 L HA 0.412 4.753 4.340 0.000 0.000 0.267 112 L C -0.111 176.719 176.870 -0.067 0.000 1.011 112 L CA -1.402 53.438 54.840 0.000 0.000 0.818 112 L CB 1.693 43.760 42.059 0.013 0.000 1.316 112 L HN 0.329 nan 8.230 nan 0.000 0.432 113 K N 0.993 121.357 120.400 -0.060 0.000 2.466 113 K HA -0.051 4.270 4.320 0.000 0.000 0.278 113 K C -0.026 176.521 176.600 -0.088 0.000 1.048 113 K CA 0.423 56.662 56.287 -0.081 0.000 1.088 113 K CB -0.728 31.744 32.500 -0.047 0.000 0.884 113 K HN 0.805 nan 8.250 nan 0.000 0.478 114 D N 3.189 123.501 120.400 -0.146 0.000 2.983 114 D HA -0.223 4.418 4.640 0.000 0.000 0.225 114 D C 0.279 176.589 176.300 0.015 0.000 1.174 114 D CA 1.493 55.446 54.000 -0.079 0.000 0.831 114 D CB -1.524 39.273 40.800 -0.005 0.000 1.104 114 D HN 0.977 nan 8.370 nan 0.000 0.421 115 H N -4.572 114.519 119.070 0.035 0.000 3.179 115 H HA -0.205 4.351 4.556 0.000 0.000 0.250 115 H C 0.991 176.342 175.328 0.039 0.000 1.142 115 H CA 1.736 57.818 56.048 0.056 0.000 1.165 115 H CB -2.246 27.550 29.762 0.056 0.000 1.253 115 H HN 0.681 nan 8.280 nan 0.000 0.325 116 K N 2.170 122.625 120.400 0.091 0.000 2.322 116 K HA 0.356 4.676 4.320 0.000 0.000 0.283 116 K C -2.123 174.505 176.600 0.047 0.000 1.042 116 K CA -1.079 55.245 56.287 0.062 0.000 0.958 116 K CB -0.064 32.458 32.500 0.035 0.000 0.984 116 K HN 0.070 nan 8.250 nan 0.000 0.473 117 P HA 0.202 nan 4.420 nan 0.000 0.268 117 P C -0.349 176.963 177.300 0.020 0.000 1.205 117 P CA -0.113 63.005 63.100 0.030 0.000 0.771 117 P CB 0.175 31.892 31.700 0.027 0.000 0.858 118 I N -1.074 119.505 120.570 0.015 0.000 2.525 118 I HA 0.545 4.715 4.170 0.000 0.000 0.301 118 I C -0.322 175.800 176.117 0.009 0.000 0.992 118 I CA -0.614 60.692 61.300 0.009 0.000 1.162 118 I CB 1.744 39.748 38.000 0.005 0.000 1.332 118 I HN 0.047 nan 8.210 nan 0.000 0.458 119 T N 6.522 121.081 114.554 0.008 0.000 2.771 119 T HA 0.477 4.827 4.350 0.000 0.000 0.281 119 T C -0.270 174.434 174.700 0.007 0.000 0.982 119 T CA -0.449 61.655 62.100 0.008 0.000 0.978 119 T CB 1.082 69.954 68.868 0.007 0.000 0.930 119 T HN 0.290 nan 8.240 nan 0.000 0.447 120 L N 3.513 124.740 121.223 0.008 0.000 2.282 120 L HA 0.455 4.795 4.340 0.000 0.000 0.288 120 L C 0.271 177.145 176.870 0.008 0.000 1.033 120 L CA -0.520 54.325 54.840 0.008 0.000 0.807 120 L CB 1.509 43.573 42.059 0.010 0.000 1.209 120 L HN 0.647 nan 8.230 nan 0.000 0.423 121 Q N 1.889 121.693 119.800 0.007 0.000 2.259 121 Q HA 0.196 4.537 4.340 0.000 0.000 0.249 121 Q C -0.220 175.785 176.000 0.007 0.000 0.914 121 Q CA -0.067 55.740 55.803 0.006 0.000 0.904 121 Q CB 1.111 29.852 28.738 0.005 0.000 1.213 121 Q HN 0.443 nan 8.270 nan 0.000 0.428 122 Q N 1.367 121.171 119.800 0.008 0.000 2.283 122 Q HA 0.147 4.487 4.340 0.000 0.000 0.301 122 Q C 0.534 176.539 176.000 0.008 0.000 1.063 122 Q CA 1.393 57.201 55.803 0.008 0.000 0.952 122 Q CB -0.061 28.682 28.738 0.008 0.000 1.166 122 Q HN 0.916 nan 8.270 nan 0.000 0.381 123 G N 2.088 110.894 108.800 0.009 0.000 2.268 123 G HA2 -0.315 3.645 3.960 0.000 0.000 0.240 123 G HA3 -0.315 3.645 3.960 0.000 0.000 0.240 123 G C 0.181 175.086 174.900 0.009 0.000 1.010 123 G CA -0.013 45.092 45.100 0.009 0.000 0.618 123 G HN 1.025 nan 8.290 nan 0.000 0.516 124 A N 0.555 123.380 122.820 0.009 0.000 2.386 124 A HA 0.672 4.992 4.320 0.000 0.000 0.248 124 A C 0.914 178.504 177.584 0.011 0.000 1.082 124 A CA 1.349 53.390 52.037 0.008 0.000 0.789 124 A CB 0.307 19.311 19.000 0.006 0.000 1.025 124 A HN 1.862 nan 8.150 nan 0.000 0.490 125 T N 0.066 114.626 114.554 0.010 0.000 2.882 125 T HA 0.512 4.863 4.350 0.000 0.000 0.287 125 T C -0.585 174.124 174.700 0.013 0.000 0.992 125 T CA -0.416 61.692 62.100 0.014 0.000 1.076 125 T CB 0.621 69.497 68.868 0.014 0.000 0.961 125 T HN 1.038 nan 8.240 nan 0.000 0.490 126 L N 2.839 124.075 121.223 0.021 0.000 2.406 126 L HA 0.582 4.922 4.340 0.000 0.000 0.272 126 L C -0.326 176.564 176.870 0.034 0.000 0.980 126 L CA -0.618 54.235 54.840 0.022 0.000 0.831 126 L CB 1.713 43.785 42.059 0.022 0.000 1.253 126 L HN 0.838 nan 8.230 nan 0.000 0.406 127 K N 5.496 125.914 120.400 0.029 0.000 2.276 127 K HA 0.536 4.856 4.320 0.000 0.000 0.283 127 K C -1.130 175.504 176.600 0.057 0.000 1.044 127 K CA -0.346 55.969 56.287 0.048 0.000 0.944 127 K CB 0.586 33.094 32.500 0.012 0.000 1.012 127 K HN 0.707 nan 8.250 nan 0.000 0.472 128 I N 4.843 125.466 120.570 0.088 0.000 2.382 128 I HA 0.224 4.394 4.170 0.000 0.000 0.286 128 I C -0.526 175.656 176.117 0.109 0.000 1.002 128 I CA -1.090 60.259 61.300 0.083 0.000 1.135 128 I CB 1.766 39.811 38.000 0.075 0.000 1.288 128 I HN 0.256 nan 8.210 nan 0.000 0.448 129 V N 4.101 124.072 119.914 0.095 0.000 2.732 129 V HA 0.284 4.404 4.120 0.000 0.000 0.310 129 V C 1.098 177.250 176.094 0.097 0.000 1.053 129 V CA -0.368 61.996 62.300 0.106 0.000 0.957 129 V CB 1.895 33.766 31.823 0.080 0.000 1.018 129 V HN 0.876 nan 8.190 nan 0.000 0.452 130 T N -2.351 112.253 114.554 0.084 0.000 3.086 130 T HA 0.057 4.408 4.350 0.000 0.000 0.250 130 T C 0.369 175.131 174.700 0.103 0.000 1.074 130 T CA -0.009 62.136 62.100 0.074 0.000 0.988 130 T CB -0.232 68.639 68.868 0.005 0.000 0.988 130 T HN 0.557 nan 8.240 nan 0.000 0.530 131 D N 0.973 121.433 120.400 0.100 0.000 2.374 131 D HA 0.095 4.735 4.640 0.000 0.000 0.240 131 D C 0.161 176.545 176.300 0.140 0.000 1.229 131 D CA -0.814 53.249 54.000 0.104 0.000 0.895 131 D CB 0.114 40.954 40.800 0.066 0.000 1.046 131 D HN 0.232 nan 8.370 nan 0.000 0.498 132 Y N 3.426 123.755 120.300 0.047 0.000 2.632 132 Y HA 0.023 4.573 4.550 0.000 0.000 0.301 132 Y C 1.165 177.132 175.900 0.112 0.000 1.172 132 Y CA 0.609 58.751 58.100 0.069 0.000 1.328 132 Y CB 0.082 38.580 38.460 0.063 0.000 1.016 132 Y HN 0.417 nan 8.280 nan 0.000 0.529 133 N N 0.271 119.030 118.700 0.097 0.000 2.412 133 N HA -0.016 4.724 4.740 0.000 0.000 0.184 133 N C 0.037 175.546 175.510 -0.002 0.000 1.101 133 N CA 0.225 53.305 53.050 0.049 0.000 0.881 133 N CB -0.008 38.510 38.487 0.052 0.000 0.969 133 N HN 0.304 nan 8.380 nan 0.000 0.459 134 L N 1.391 122.602 121.223 -0.020 0.000 2.360 134 L HA 0.248 4.588 4.340 0.000 0.000 0.276 134 L C -0.528 176.318 176.870 -0.041 0.000 1.121 134 L CA -0.364 54.460 54.840 -0.027 0.000 0.845 134 L CB 0.450 42.499 42.059 -0.015 0.000 1.143 134 L HN -0.149 nan 8.230 nan 0.000 0.452 135 I N 5.777 126.326 120.570 -0.035 0.000 2.322 135 I HA 0.315 4.485 4.170 0.000 0.000 0.292 135 I C 1.059 177.156 176.117 -0.034 0.000 1.060 135 I CA 0.457 61.737 61.300 -0.033 0.000 1.309 135 I CB 0.877 38.838 38.000 -0.064 0.000 1.415 135 I HN 0.683 nan 8.210 nan 0.000 0.492 136 G N 4.172 112.954 108.800 -0.030 0.000 2.580 136 G HA2 0.538 4.498 3.960 0.000 0.000 0.278 136 G HA3 0.538 4.498 3.960 0.000 0.000 0.278 136 G C -0.755 174.132 174.900 -0.023 0.000 1.212 136 G CA -0.290 44.794 45.100 -0.027 0.000 0.939 136 G HN 0.650 nan 8.290 nan 0.000 0.513 137 D N -3.427 116.963 120.400 -0.017 0.000 2.867 137 D HA 0.288 4.928 4.640 0.000 0.000 0.308 137 D C 0.848 177.144 176.300 -0.008 0.000 1.202 137 D CA -0.200 53.792 54.000 -0.014 0.000 1.035 137 D CB 0.339 41.130 40.800 -0.016 0.000 1.427 137 D HN 0.263 nan 8.370 nan 0.000 0.570 138 E N -1.428 118.769 120.200 -0.006 0.000 2.219 138 E HA -0.176 4.174 4.350 0.000 0.000 0.198 138 E C 1.731 178.330 176.600 -0.002 0.000 0.998 138 E CA 2.325 58.724 56.400 -0.002 0.000 0.818 138 E CB -0.916 28.782 29.700 -0.002 0.000 0.741 138 E HN 0.591 nan 8.360 nan 0.000 0.477 139 T N -4.158 110.393 114.554 -0.006 0.000 3.040 139 T HA 0.153 4.504 4.350 0.000 0.000 0.252 139 T C 0.764 175.461 174.700 -0.005 0.000 1.064 139 T CA 0.681 62.777 62.100 -0.007 0.000 1.110 139 T CB 0.493 69.353 68.868 -0.013 0.000 0.921 139 T HN 0.195 nan 8.240 nan 0.000 0.480 140 T N 2.579 117.130 114.554 -0.006 0.000 3.071 140 T HA 0.653 5.003 4.350 0.000 0.000 0.311 140 T C -0.777 173.921 174.700 -0.004 0.000 1.042 140 T CA -0.844 61.254 62.100 -0.004 0.000 1.028 140 T CB 1.712 70.573 68.868 -0.013 0.000 1.068 140 T HN 0.559 nan 8.240 nan 0.000 0.451 141 I N -0.233 120.340 120.570 0.005 0.000 2.934 141 I HA 1.000 5.170 4.170 0.000 0.000 0.306 141 I C -0.296 175.827 176.117 0.009 0.000 1.110 141 I CA -1.522 59.776 61.300 -0.004 0.000 1.019 141 I CB 1.820 39.818 38.000 -0.003 0.000 1.227 141 I HN 0.678 nan 8.210 nan 0.000 0.434 142 A N 2.927 125.734 122.820 -0.021 0.000 2.264 142 A HA 0.745 5.066 4.320 0.000 0.000 0.304 142 A C -0.689 176.964 177.584 0.114 0.000 1.100 142 A CA -0.460 51.587 52.037 0.015 0.000 0.839 142 A CB 1.173 20.109 19.000 -0.107 0.000 1.121 142 A HN 0.954 nan 8.150 nan 0.000 0.496 143 C N 0.413 119.857 119.300 0.240 0.000 2.609 143 C HA 0.568 5.028 4.460 0.000 0.000 0.313 143 C C 1.648 176.816 174.990 0.296 0.000 1.175 143 C CA 0.122 59.297 59.018 0.261 0.000 1.434 143 C CB 0.929 28.763 27.740 0.157 0.000 2.005 143 C HN 1.196 nan 8.230 nan 0.000 0.471 144 S N 2.896 118.659 115.700 0.104 0.000 2.481 144 S HA -0.078 4.392 4.470 0.000 0.000 0.231 144 S C 0.425 174.997 174.600 -0.048 0.000 0.996 144 S CA 0.572 58.595 58.200 -0.294 0.000 0.942 144 S CB -0.351 62.524 63.200 -0.541 0.000 0.768 144 S HN 0.885 nan 8.310 nan 0.000 0.520 145 Y N 2.266 122.516 120.300 -0.083 0.000 2.535 145 Y HA 0.524 5.074 4.550 0.000 0.000 0.349 145 Y C 1.416 177.298 175.900 -0.030 0.000 0.992 145 Y CA -0.807 57.254 58.100 -0.066 0.000 1.248 145 Y CB 0.261 38.685 38.460 -0.059 0.000 1.124 145 Y HN 0.156 nan 8.280 nan 0.000 0.520 146 G N 3.318 112.004 108.800 -0.189 0.000 2.448 146 G HA2 -0.236 3.725 3.960 0.000 0.000 0.219 146 G HA3 -0.236 3.725 3.960 0.000 0.000 0.219 146 G C 1.244 175.906 174.900 -0.397 0.000 1.127 146 G CA 0.647 45.614 45.100 -0.221 0.000 0.766 146 G HN 0.716 nan 8.290 nan 0.000 0.552 147 A N -0.029 122.322 122.820 -0.783 0.000 2.337 147 A HA 0.450 4.770 4.320 0.000 0.000 0.227 147 A C 1.944 179.055 177.584 -0.787 0.000 1.259 147 A CA 0.188 51.802 52.037 -0.705 0.000 0.870 147 A CB -0.135 18.568 19.000 -0.495 0.000 0.927 147 A HN 0.316 nan 8.150 nan 0.000 0.497 148 L N 0.936 121.662 121.223 -0.829 0.000 2.013 148 L HA -0.091 4.249 4.340 0.000 0.000 0.212 148 L C -0.892 175.899 176.870 -0.131 0.000 1.073 148 L CA 2.671 57.334 54.840 -0.295 0.000 0.753 148 L CB -1.007 41.013 42.059 -0.065 0.000 0.890 148 L HN 0.194 nan 8.230 nan 0.000 0.432 149 P HA -0.127 nan 4.420 nan 0.000 0.223 149 P C 1.300 178.533 177.300 -0.113 0.000 1.151 149 P CA 1.071 64.088 63.100 -0.139 0.000 0.787 149 P CB 0.042 31.633 31.700 -0.183 0.000 0.788 150 Q N -1.255 118.473 119.800 -0.121 0.000 2.311 150 Q HA 0.032 4.372 4.340 0.000 0.000 0.203 150 Q C 1.893 177.875 176.000 -0.030 0.000 0.954 150 Q CA 1.228 56.984 55.803 -0.079 0.000 0.885 150 Q CB -0.390 28.295 28.738 -0.090 0.000 0.963 150 Q HN 0.178 nan 8.270 nan 0.000 0.471 151 S N -1.415 114.282 115.700 -0.005 0.000 2.475 151 S HA 0.159 4.629 4.470 0.000 0.000 0.224 151 S C 0.459 175.094 174.600 0.057 0.000 1.042 151 S CA -0.240 58.004 58.200 0.073 0.000 0.935 151 S CB 0.715 64.044 63.200 0.215 0.000 0.801 151 S HN 0.041 nan 8.310 nan 0.000 0.509 152 V N 3.282 123.218 119.914 0.035 0.000 2.547 152 V HA 0.485 4.605 4.120 0.000 0.000 0.299 152 V C -0.479 175.617 176.094 0.003 0.000 1.040 152 V CA -0.716 61.602 62.300 0.030 0.000 0.913 152 V CB 1.793 33.640 31.823 0.041 0.000 0.992 152 V HN 0.423 nan 8.190 nan 0.000 0.449 153 K N 4.681 125.085 120.400 0.007 0.000 2.400 153 K HA 0.731 5.051 4.320 0.000 0.000 0.246 153 K C -3.048 173.555 176.600 0.004 0.000 0.995 153 K CA -2.270 54.017 56.287 -0.001 0.000 0.840 153 K CB 1.707 34.207 32.500 -0.000 0.000 1.293 153 K HN 0.240 nan 8.250 nan 0.000 0.445 154 P HA -0.039 nan 4.420 nan 0.000 0.261 154 P C 0.521 177.827 177.300 0.010 0.000 1.173 154 P CA 1.625 64.730 63.100 0.008 0.000 0.760 154 P CB 0.473 32.177 31.700 0.007 0.000 0.783 155 G N 2.350 111.158 108.800 0.013 0.000 2.258 155 G HA2 -0.241 3.719 3.960 0.000 0.000 0.233 155 G HA3 -0.241 3.719 3.960 0.000 0.000 0.233 155 G C 0.324 175.233 174.900 0.014 0.000 1.006 155 G CA -0.309 44.799 45.100 0.012 0.000 0.620 155 G HN 0.584 nan 8.290 nan 0.000 0.511 156 N N 1.469 120.179 118.700 0.016 0.000 2.454 156 N HA 0.420 5.160 4.740 0.000 0.000 0.254 156 N C 0.104 175.628 175.510 0.023 0.000 1.228 156 N CA 0.967 54.029 53.050 0.020 0.000 0.900 156 N CB 0.490 38.992 38.487 0.026 0.000 1.089 156 N HN 0.228 nan 8.380 nan 0.000 0.449 157 T N 2.462 117.029 114.554 0.023 0.000 2.882 157 T HA 0.426 4.777 4.350 0.000 0.000 0.287 157 T C 0.167 174.885 174.700 0.030 0.000 0.992 157 T CA -0.227 61.888 62.100 0.024 0.000 1.076 157 T CB 0.535 69.415 68.868 0.020 0.000 0.961 157 T HN 0.252 nan 8.240 nan 0.000 0.490 158 I N 3.279 123.868 120.570 0.031 0.000 2.418 158 I HA 0.378 4.548 4.170 0.000 0.000 0.287 158 I C -0.491 175.644 176.117 0.029 0.000 1.008 158 I CA -0.737 60.584 61.300 0.035 0.000 1.104 158 I CB 1.408 39.434 38.000 0.043 0.000 1.264 158 I HN 0.316 nan 8.210 nan 0.000 0.438 159 L N 7.091 128.331 121.223 0.027 0.000 2.325 159 L HA 0.614 4.954 4.340 0.000 0.000 0.279 159 L C -0.538 176.345 176.870 0.021 0.000 1.054 159 L CA -0.619 54.235 54.840 0.024 0.000 0.804 159 L CB 1.606 43.679 42.059 0.023 0.000 1.200 159 L HN 0.466 nan 8.230 nan 0.000 0.436 160 I N 2.499 123.081 120.570 0.019 0.000 2.498 160 I HA 0.485 4.655 4.170 0.000 0.000 0.290 160 I C 0.123 176.249 176.117 0.015 0.000 1.032 160 I CA -0.701 60.610 61.300 0.017 0.000 1.073 160 I CB 1.969 39.980 38.000 0.018 0.000 1.251 160 I HN 0.801 nan 8.210 nan 0.000 0.426 161 A N 4.643 127.470 122.820 0.012 0.000 2.429 161 A HA -0.150 4.170 4.320 0.000 0.000 0.290 161 A C 0.306 177.899 177.584 0.015 0.000 1.439 161 A CA 0.487 52.532 52.037 0.013 0.000 0.731 161 A CB -1.552 17.455 19.000 0.012 0.000 1.138 161 A HN 0.949 nan 8.150 nan 0.000 0.384 162 D N -1.610 118.800 120.400 0.017 0.000 2.708 162 D HA -0.157 4.483 4.640 0.000 0.000 0.236 162 D C 1.525 177.837 176.300 0.019 0.000 1.146 162 D CA 2.818 56.830 54.000 0.020 0.000 0.662 162 D CB -1.561 39.251 40.800 0.021 0.000 1.059 162 D HN 2.463 nan 8.370 nan 0.000 0.428 163 G N -0.752 108.059 108.800 0.019 0.000 2.166 163 G HA2 -0.412 3.548 3.960 0.000 0.000 0.260 163 G HA3 -0.412 3.548 3.960 0.000 0.000 0.260 163 G C 1.272 176.182 174.900 0.016 0.000 0.986 163 G CA 1.574 46.685 45.100 0.018 0.000 0.683 163 G HN 0.978 nan 8.290 nan 0.000 0.527 164 S N -1.571 114.138 115.700 0.016 0.000 2.423 164 S HA 0.304 4.774 4.470 0.000 0.000 0.231 164 S C 0.928 175.536 174.600 0.014 0.000 1.014 164 S CA 1.308 59.516 58.200 0.014 0.000 0.965 164 S CB 0.278 63.486 63.200 0.014 0.000 0.785 164 S HN 1.336 nan 8.310 nan 0.000 0.495 165 L N 1.354 122.586 121.223 0.015 0.000 2.333 165 L HA 0.714 5.054 4.340 0.000 0.000 0.280 165 L C -0.625 176.256 176.870 0.017 0.000 1.004 165 L CA -0.425 54.425 54.840 0.015 0.000 0.820 165 L CB 2.054 44.122 42.059 0.015 0.000 1.247 165 L HN 0.102 nan 8.230 nan 0.000 0.416 166 S N 4.292 120.002 115.700 0.017 0.000 2.454 166 S HA 0.851 5.321 4.470 0.000 0.000 0.306 166 S C -0.878 173.734 174.600 0.019 0.000 1.100 166 S CA -0.353 57.858 58.200 0.018 0.000 1.087 166 S CB 0.983 64.193 63.200 0.017 0.000 1.019 166 S HN 0.853 nan 8.310 nan 0.000 0.480 167 V N 2.644 122.572 119.914 0.022 0.000 2.823 167 V HA 0.725 4.845 4.120 0.000 0.000 0.312 167 V C -0.749 175.360 176.094 0.025 0.000 1.072 167 V CA -1.031 61.283 62.300 0.024 0.000 0.937 167 V CB 1.703 33.542 31.823 0.027 0.000 1.013 167 V HN 0.880 nan 8.190 nan 0.000 0.430 168 K N 2.752 123.167 120.400 0.024 0.000 2.244 168 K HA 0.683 5.003 4.320 0.000 0.000 0.260 168 K C -0.930 175.686 176.600 0.026 0.000 0.951 168 K CA -0.708 55.593 56.287 0.023 0.000 0.826 168 K CB 2.066 34.577 32.500 0.019 0.000 1.108 168 K HN 0.756 nan 8.250 nan 0.000 0.433 169 V N 4.746 124.676 119.914 0.027 0.000 2.585 169 V HA -0.024 4.097 4.120 0.000 0.000 0.296 169 V C 0.908 177.018 176.094 0.027 0.000 1.035 169 V CA 0.070 62.388 62.300 0.028 0.000 1.084 169 V CB 1.167 33.004 31.823 0.023 0.000 0.953 169 V HN 0.738 nan 8.190 nan 0.000 0.483 170 V N 3.155 123.090 119.914 0.034 0.000 3.219 170 V HA 0.244 4.364 4.120 0.000 0.000 0.240 170 V C 0.517 176.635 176.094 0.039 0.000 1.222 170 V CA 0.459 62.779 62.300 0.034 0.000 1.181 170 V CB 0.334 32.178 31.823 0.036 0.000 0.941 170 V HN 0.916 nan 8.190 nan 0.000 0.471 171 E N 0.071 120.305 120.200 0.057 0.000 2.317 171 E HA 0.597 4.947 4.350 0.000 0.000 0.270 171 E C -1.479 175.132 176.600 0.018 0.000 0.885 171 E CA -0.488 55.951 56.400 0.065 0.000 0.760 171 E CB 3.242 33.028 29.700 0.143 0.000 1.227 171 E HN 0.126 nan 8.360 nan 0.000 0.434 172 V N -0.476 119.398 119.914 -0.066 0.000 2.680 172 V HA 0.965 5.085 4.120 0.000 0.000 0.309 172 V C -0.234 175.602 176.094 -0.430 0.000 1.052 172 V CA -0.077 62.092 62.300 -0.219 0.000 0.908 172 V CB 1.417 33.153 31.823 -0.145 0.000 1.001 172 V HN 0.749 nan 8.190 nan 0.000 0.431 173 G N 2.624 110.883 108.800 -0.901 0.000 3.222 173 G HA2 0.493 4.453 3.960 0.000 0.000 0.263 173 G HA3 0.493 4.453 3.960 0.000 0.000 0.263 173 G C 0.301 174.876 174.900 -0.541 0.000 1.312 173 G CA 0.224 44.710 45.100 -1.024 0.000 0.934 173 G HN 0.823 nan 8.290 nan 0.000 0.577 174 S N 0.132 115.655 115.700 -0.295 0.000 2.377 174 S HA -0.019 4.451 4.470 0.000 0.000 0.223 174 S C 1.249 175.789 174.600 -0.100 0.000 1.030 174 S CA 1.693 59.815 58.200 -0.129 0.000 0.970 174 S CB -0.020 63.162 63.200 -0.030 0.000 0.830 174 S HN 0.752 nan 8.310 nan 0.000 0.473 175 D N -0.615 119.771 120.400 -0.023 0.000 2.563 175 D HA 0.157 4.797 4.640 0.000 0.000 0.237 175 D C -0.121 176.251 176.300 0.120 0.000 1.282 175 D CA -0.505 53.519 54.000 0.041 0.000 0.816 175 D CB -0.390 40.460 40.800 0.082 0.000 1.066 175 D HN 0.549 nan 8.370 nan 0.000 0.501 176 Y N -2.333 117.960 120.300 -0.012 0.000 2.638 176 Y HA 0.727 5.277 4.550 0.000 0.000 0.335 176 Y C -2.076 173.822 175.900 -0.003 0.000 1.155 176 Y CA -1.494 56.603 58.100 -0.004 0.000 1.046 176 Y CB 1.364 39.823 38.460 -0.001 0.000 1.303 176 Y HN -0.204 nan 8.280 nan 0.000 0.460 177 V N 3.947 123.961 119.914 0.166 0.000 2.733 177 V HA 0.463 4.583 4.120 0.000 0.000 0.306 177 V C -1.079 175.139 176.094 0.207 0.000 1.084 177 V CA -0.812 61.544 62.300 0.092 0.000 0.905 177 V CB 2.044 33.882 31.823 0.024 0.000 1.010 177 V HN 0.672 nan 8.190 nan 0.000 0.424 178 I N 4.672 125.359 120.570 0.196 0.000 2.336 178 I HA 0.557 4.727 4.170 0.000 0.000 0.292 178 I C 0.354 176.521 176.117 0.083 0.000 0.991 178 I CA -0.051 61.335 61.300 0.143 0.000 1.227 178 I CB 1.646 39.734 38.000 0.146 0.000 1.366 178 I HN 0.782 nan 8.210 nan 0.000 0.466 179 T N 2.813 117.404 114.554 0.062 0.000 2.916 179 T HA 0.515 4.865 4.350 0.000 0.000 0.292 179 T C -0.706 174.014 174.700 0.034 0.000 1.055 179 T CA -0.839 61.288 62.100 0.045 0.000 1.009 179 T CB 2.698 71.591 68.868 0.042 0.000 1.118 179 T HN 0.600 nan 8.240 nan 0.000 0.497 180 Q N 0.988 120.805 119.800 0.028 0.000 2.322 180 Q HA 0.616 4.956 4.340 0.000 0.000 0.265 180 Q C -0.476 175.536 176.000 0.020 0.000 0.985 180 Q CA -1.028 54.788 55.803 0.022 0.000 0.849 180 Q CB 1.505 30.255 28.738 0.019 0.000 1.274 180 Q HN 1.051 nan 8.270 nan 0.000 0.449 181 A N 3.748 126.579 122.820 0.017 0.000 2.522 181 A HA 0.007 4.327 4.320 0.000 0.000 0.256 181 A C 0.598 178.190 177.584 0.014 0.000 1.086 181 A CA 0.008 52.055 52.037 0.016 0.000 0.763 181 A CB 0.390 19.398 19.000 0.013 0.000 1.024 181 A HN 0.894 nan 8.150 nan 0.000 0.502 182 Q N 1.104 120.913 119.800 0.014 0.000 2.302 182 Q HA 0.002 4.342 4.340 0.000 0.000 0.202 182 Q C 0.375 176.382 176.000 0.011 0.000 0.936 182 Q CA 1.033 56.844 55.803 0.013 0.000 0.886 182 Q CB 0.022 28.768 28.738 0.014 0.000 0.986 182 Q HN 0.993 nan 8.270 nan 0.000 0.487 183 N N -1.013 117.694 118.700 0.012 0.000 2.571 183 N HA 0.174 4.914 4.740 0.000 0.000 0.273 183 N C -1.056 174.460 175.510 0.010 0.000 1.340 183 N CA -0.405 52.651 53.050 0.010 0.000 0.789 183 N CB 1.096 39.589 38.487 0.010 0.000 1.514 183 N HN -0.346 nan 8.380 nan 0.000 0.499 184 T N 0.401 114.960 114.554 0.009 0.000 2.794 184 T HA 0.672 5.022 4.350 0.000 0.000 0.296 184 T C -0.291 174.414 174.700 0.009 0.000 0.949 184 T CA -0.072 62.033 62.100 0.008 0.000 1.101 184 T CB 0.402 69.274 68.868 0.007 0.000 0.905 184 T HN 0.780 nan 8.240 nan 0.000 0.516 185 A N 2.778 125.604 122.820 0.009 0.000 2.604 185 A HA 0.688 5.008 4.320 0.000 0.000 0.295 185 A C -0.363 177.227 177.584 0.010 0.000 1.067 185 A CA -0.943 51.100 52.037 0.010 0.000 0.683 185 A CB 1.366 20.373 19.000 0.011 0.000 1.281 185 A HN 0.599 nan 8.150 nan 0.000 0.407 186 T N 2.020 116.581 114.554 0.010 0.000 2.767 186 T HA 0.607 4.957 4.350 0.000 0.000 0.284 186 T C 0.036 174.743 174.700 0.012 0.000 0.973 186 T CA 0.026 62.133 62.100 0.011 0.000 0.996 186 T CB 0.189 69.064 68.868 0.011 0.000 0.927 186 T HN 0.865 nan 8.240 nan 0.000 0.456 187 I N -0.151 120.426 120.570 0.012 0.000 2.646 187 I HA 0.929 5.099 4.170 0.000 0.000 0.299 187 I C 0.461 176.587 176.117 0.014 0.000 1.036 187 I CA -1.032 60.275 61.300 0.012 0.000 1.074 187 I CB 1.801 39.807 38.000 0.010 0.000 1.258 187 I HN 0.636 nan 8.210 nan 0.000 0.430 188 G N 3.595 112.404 108.800 0.015 0.000 2.641 188 G HA2 0.427 4.387 3.960 0.000 0.000 0.239 188 G HA3 0.427 4.387 3.960 0.000 0.000 0.239 188 G C -0.701 174.208 174.900 0.014 0.000 1.402 188 G CA -0.695 44.419 45.100 0.022 0.000 1.046 188 G HN 0.770 nan 8.290 nan 0.000 0.565 189 E N -0.221 119.993 120.200 0.024 0.000 2.313 189 E HA 0.361 4.711 4.350 0.000 0.000 0.272 189 E C -0.248 176.315 176.600 -0.062 0.000 1.038 189 E CA -0.387 56.005 56.400 -0.013 0.000 0.863 189 E CB 0.947 30.688 29.700 0.069 0.000 1.060 189 E HN 0.401 nan 8.360 nan 0.000 0.402 190 R N 1.341 121.753 120.500 -0.147 0.000 3.333 190 R HA -0.148 4.192 4.340 0.000 0.000 0.256 190 R C -0.630 175.644 176.300 -0.043 0.000 1.010 190 R CA 0.462 56.484 56.100 -0.129 0.000 0.680 190 R CB -1.081 29.111 30.300 -0.179 0.000 1.102 190 R HN 0.280 nan 8.270 nan 0.000 0.440 191 K N 1.652 122.037 120.400 -0.025 0.000 2.118 191 K HA 0.142 4.462 4.320 0.000 0.000 0.267 191 K C 0.569 177.166 176.600 -0.005 0.000 0.991 191 K CA -0.762 55.521 56.287 -0.006 0.000 0.916 191 K CB 0.655 33.155 32.500 -0.000 0.000 1.041 191 K HN 0.231 nan 8.250 nan 0.000 0.455 192 N N 1.265 119.962 118.700 -0.005 0.000 2.374 192 N HA 0.011 4.751 4.740 0.000 0.000 0.241 192 N C -0.455 175.049 175.510 -0.009 0.000 1.262 192 N CA 0.513 53.554 53.050 -0.015 0.000 0.880 192 N CB 0.408 38.888 38.487 -0.012 0.000 1.105 192 N HN 0.390 nan 8.380 nan 0.000 0.438 193 M N 0.463 120.050 119.600 -0.022 0.000 2.518 193 M HA 0.356 4.836 4.480 0.000 0.000 0.300 193 M C -1.208 175.080 176.300 -0.020 0.000 1.175 193 M CA -0.713 54.581 55.300 -0.010 0.000 0.890 193 M CB 2.156 34.758 32.600 0.002 0.000 1.710 193 M HN 0.548 nan 8.290 nan 0.000 0.453 194 N N 1.453 120.157 118.700 0.005 0.000 2.272 194 N HA 0.647 5.387 4.740 0.000 0.000 0.305 194 N C -1.625 173.903 175.510 0.029 0.000 1.103 194 N CA -0.632 52.430 53.050 0.021 0.000 0.791 194 N CB 1.814 40.325 38.487 0.041 0.000 1.356 194 N HN 0.369 nan 8.380 nan 0.000 0.486 195 L N 2.606 123.853 121.223 0.040 0.000 2.581 195 L HA 0.445 4.785 4.340 0.000 0.000 0.241 195 L C -2.386 174.514 176.870 0.050 0.000 1.265 195 L CA -2.119 52.748 54.840 0.045 0.000 0.954 195 L CB 0.300 42.384 42.059 0.041 0.000 1.269 195 L HN 0.408 nan 8.230 nan 0.000 0.475 196 P HA 0.015 nan 4.420 nan 0.000 0.261 196 P C 0.758 178.072 177.300 0.022 0.000 1.183 196 P CA 0.591 63.707 63.100 0.027 0.000 0.761 196 P CB 0.275 31.987 31.700 0.020 0.000 0.785 197 N N 0.231 118.938 118.700 0.013 0.000 2.948 197 N HA -0.149 4.591 4.740 0.000 0.000 0.239 197 N C -1.077 174.444 175.510 0.019 0.000 0.954 197 N CA 0.081 53.136 53.050 0.008 0.000 0.941 197 N CB -0.540 37.951 38.487 0.006 0.000 1.101 197 N HN 0.141 nan 8.380 nan 0.000 0.579 198 V N 1.579 121.513 119.914 0.034 0.000 2.495 198 V HA 0.250 4.370 4.120 0.000 0.000 0.298 198 V C 0.348 176.477 176.094 0.059 0.000 1.031 198 V CA -0.707 61.622 62.300 0.049 0.000 0.871 198 V CB 1.681 33.544 31.823 0.066 0.000 0.988 198 V HN 0.118 nan 8.190 nan 0.000 0.432 199 K N 3.599 124.033 120.400 0.058 0.000 2.368 199 K HA 0.368 4.688 4.320 0.000 0.000 0.282 199 K C -0.754 175.901 176.600 0.090 0.000 1.035 199 K CA -0.299 56.030 56.287 0.069 0.000 0.973 199 K CB 1.030 33.561 32.500 0.053 0.000 0.957 199 K HN 0.473 nan 8.250 nan 0.000 0.474 200 V N 5.703 125.671 119.914 0.091 0.000 2.408 200 V HA 0.044 4.164 4.120 0.000 0.000 0.267 200 V C 0.115 176.228 176.094 0.031 0.000 1.047 200 V CA -0.268 62.001 62.300 -0.052 0.000 0.937 200 V CB 1.041 32.767 31.823 -0.162 0.000 0.999 200 V HN 0.821 nan 8.190 nan 0.000 0.472 201 Q N 5.654 125.552 119.800 0.164 0.000 3.170 201 Q HA 0.436 4.776 4.340 0.000 0.000 0.346 201 Q C -0.769 175.335 176.000 0.174 0.000 1.333 201 Q CA 0.130 56.042 55.803 0.183 0.000 0.958 201 Q CB 0.138 29.000 28.738 0.207 0.000 1.600 201 Q HN 0.626 nan 8.270 nan 0.000 0.482 202 L N 0.672 121.929 121.223 0.056 0.000 2.354 202 L HA 0.558 4.898 4.340 0.000 0.000 0.264 202 L C -2.317 174.544 176.870 -0.016 0.000 1.008 202 L CA -2.641 52.207 54.840 0.013 0.000 0.819 202 L CB 1.899 43.915 42.059 -0.073 0.000 1.339 202 L HN 0.111 nan 8.230 nan 0.000 0.420 203 P HA 0.054 nan 4.420 nan 0.000 0.266 203 P C 0.778 178.058 177.300 -0.033 0.000 1.215 203 P CA -0.249 62.819 63.100 -0.054 0.000 0.763 203 P CB 0.910 32.571 31.700 -0.065 0.000 0.806 204 V N 4.152 124.058 119.914 -0.013 0.000 2.343 204 V HA -0.140 3.980 4.120 0.000 0.000 0.247 204 V C 1.230 177.347 176.094 0.037 0.000 1.051 204 V CA 1.535 63.858 62.300 0.039 0.000 1.036 204 V CB -0.337 31.527 31.823 0.069 0.000 0.654 204 V HN 0.488 nan 8.190 nan 0.000 0.451 205 I N 0.642 121.223 120.570 0.019 0.000 2.428 205 I HA 0.419 4.589 4.170 0.000 0.000 0.279 205 I C 0.669 176.815 176.117 0.049 0.000 1.040 205 I CA 0.188 61.538 61.300 0.082 0.000 1.171 205 I CB 0.322 38.467 38.000 0.241 0.000 1.312 205 I HN 0.151 nan 8.210 nan 0.000 0.470 206 G N 4.561 113.387 108.800 0.045 0.000 2.525 206 G HA2 0.247 4.207 3.960 0.000 0.000 0.287 206 G HA3 0.247 4.207 3.960 0.000 0.000 0.287 206 G C 0.759 175.705 174.900 0.077 0.000 1.350 206 G CA -0.121 44.999 45.100 0.034 0.000 1.039 206 G HN 0.522 nan 8.290 nan 0.000 0.513 207 E N -0.354 119.883 120.200 0.062 0.000 2.110 207 E HA -0.143 4.207 4.350 0.000 0.000 0.193 207 E C 2.271 178.936 176.600 0.108 0.000 0.988 207 E CA 1.271 57.719 56.400 0.080 0.000 0.804 207 E CB -0.085 29.641 29.700 0.044 0.000 0.745 207 E HN 0.576 nan 8.360 nan 0.000 0.458 208 K N 1.476 121.931 120.400 0.092 0.000 2.097 208 K HA -0.124 4.196 4.320 0.000 0.000 0.205 208 K C 1.477 178.188 176.600 0.185 0.000 1.050 208 K CA 1.675 58.042 56.287 0.133 0.000 0.938 208 K CB -0.040 32.513 32.500 0.087 0.000 0.718 208 K HN -0.091 nan 8.250 nan 0.000 0.442 209 D N 0.809 121.287 120.400 0.130 0.000 2.117 209 D HA -0.159 4.481 4.640 0.000 0.000 0.198 209 D C 1.713 178.074 176.300 0.101 0.000 0.982 209 D CA 1.169 55.231 54.000 0.102 0.000 0.828 209 D CB -0.095 40.752 40.800 0.079 0.000 0.967 209 D HN 0.407 nan 8.370 nan 0.000 0.464 210 K N 0.316 120.798 120.400 0.137 0.000 2.063 210 K HA -0.235 4.085 4.320 0.000 0.000 0.208 210 K C 2.221 178.909 176.600 0.146 0.000 1.048 210 K CA 1.319 57.684 56.287 0.130 0.000 0.928 210 K CB -0.123 32.474 32.500 0.161 0.000 0.713 210 K HN 0.087 nan 8.250 nan 0.000 0.442 211 H N 0.942 120.074 119.070 0.103 0.000 2.353 211 H HA -0.109 4.447 4.556 0.000 0.000 0.300 211 H C 1.434 176.910 175.328 0.246 0.000 1.090 211 H CA 2.283 58.421 56.048 0.150 0.000 1.327 211 H CB -0.109 29.728 29.762 0.124 0.000 1.383 211 H HN 0.340 nan 8.280 nan 0.000 0.508 212 D N 0.081 120.579 120.400 0.163 0.000 2.097 212 D HA -0.133 4.507 4.640 0.000 0.000 0.195 212 D C 2.458 178.662 176.300 -0.160 0.000 0.989 212 D CA 1.433 55.453 54.000 0.034 0.000 0.827 212 D CB -0.229 40.525 40.800 -0.077 0.000 0.966 212 D HN 0.470 nan 8.370 nan 0.000 0.456 213 I N 0.469 120.971 120.570 -0.112 0.000 2.179 213 I HA -0.230 3.941 4.170 0.000 0.000 0.242 213 I C 2.412 178.480 176.117 -0.083 0.000 1.088 213 I CA 0.828 62.059 61.300 -0.116 0.000 1.357 213 I CB -0.106 37.846 38.000 -0.080 0.000 1.051 213 I HN -0.034 nan 8.210 nan 0.000 0.409 214 L N -0.057 121.141 121.223 -0.042 0.000 2.095 214 L HA -0.109 4.231 4.340 0.000 0.000 0.204 214 L C 1.486 178.337 176.870 -0.032 0.000 1.080 214 L CA 1.581 56.405 54.840 -0.027 0.000 0.759 214 L CB -0.449 41.616 42.059 0.011 0.000 0.914 214 L HN 0.280 nan 8.230 nan 0.000 0.439 215 N N -1.870 116.802 118.700 -0.045 0.000 2.236 215 N HA 0.048 4.788 4.740 0.000 0.000 0.196 215 N C 0.993 176.455 175.510 -0.079 0.000 1.114 215 N CA 0.116 53.147 53.050 -0.032 0.000 0.859 215 N CB 0.574 39.045 38.487 -0.027 0.000 0.982 215 N HN 0.149 nan 8.380 nan 0.000 0.493 216 F N -0.335 119.408 119.950 -0.345 0.000 2.495 216 F HA 0.372 4.899 4.527 0.000 0.000 0.272 216 F C 2.154 177.807 175.800 -0.244 0.000 0.919 216 F CA 0.052 57.815 58.000 -0.394 0.000 1.178 216 F CB -0.348 38.246 39.000 -0.676 0.000 1.030 216 F HN -0.077 nan 8.300 nan 0.000 0.777 217 G N 1.878 110.669 108.800 -0.014 0.000 2.491 217 G HA2 -0.269 3.691 3.960 0.000 0.000 0.218 217 G HA3 -0.269 3.691 3.960 0.000 0.000 0.218 217 G C 1.622 176.463 174.900 -0.099 0.000 1.180 217 G CA 1.743 46.810 45.100 -0.056 0.000 0.774 217 G HN 0.413 nan 8.290 nan 0.000 0.562 218 I N 1.487 122.001 120.570 -0.095 0.000 2.133 218 I HA -0.069 4.101 4.170 0.000 0.000 0.238 218 I C -0.072 176.021 176.117 -0.042 0.000 1.074 218 I CA 0.949 62.222 61.300 -0.045 0.000 1.342 218 I CB -0.919 37.069 38.000 -0.020 0.000 1.053 218 I HN 0.161 nan 8.210 nan 0.000 0.404 219 P HA -0.105 nan 4.420 nan 0.000 0.218 219 P C 1.524 178.711 177.300 -0.189 0.000 1.149 219 P CA 1.303 64.329 63.100 -0.124 0.000 0.817 219 P CB -0.003 31.617 31.700 -0.134 0.000 0.785 220 M N -2.049 117.353 119.600 -0.329 0.000 2.561 220 M HA 0.263 4.743 4.480 0.000 0.000 0.238 220 M C 1.001 177.181 176.300 -0.200 0.000 1.131 220 M CA 0.699 55.750 55.300 -0.416 0.000 1.046 220 M CB -1.184 30.789 32.600 -1.046 0.000 1.532 220 M HN 0.122 nan 8.290 nan 0.000 0.497 221 G N 1.095 109.836 108.800 -0.098 0.000 2.171 221 G HA2 -0.209 3.751 3.960 0.000 0.000 0.238 221 G HA3 -0.209 3.751 3.960 0.000 0.000 0.238 221 G C 0.061 174.963 174.900 0.003 0.000 1.039 221 G CA -0.193 44.898 45.100 -0.015 0.000 0.759 221 G HN 0.483 nan 8.290 nan 0.000 0.501 222 C N -0.250 119.046 119.300 -0.006 0.000 2.644 222 C HA 0.381 4.841 4.460 0.000 0.000 0.417 222 C C 1.761 176.718 174.990 -0.055 0.000 1.304 222 C CA 0.373 59.400 59.018 0.015 0.000 2.035 222 C CB 0.402 28.163 27.740 0.035 0.000 2.673 222 C HN 0.677 nan 8.230 nan 0.000 0.602 223 N N -0.020 118.641 118.700 -0.065 0.000 2.368 223 N HA 0.222 4.962 4.740 0.000 0.000 0.178 223 N C -0.681 174.531 175.510 -0.497 0.000 1.076 223 N CA 0.449 53.339 53.050 -0.266 0.000 0.889 223 N CB 0.215 38.497 38.487 -0.341 0.000 1.040 223 N HN 0.574 nan 8.380 nan 0.000 0.463 224 F N 0.484 120.463 119.950 0.049 0.000 2.576 224 F HA 0.492 5.019 4.527 -0.000 0.000 0.313 224 F C -0.607 175.178 175.800 -0.025 0.000 1.078 224 F CA -1.186 56.822 58.000 0.014 0.000 0.921 224 F CB 1.624 40.643 39.000 0.032 0.000 1.232 224 F HN -0.250 nan 8.300 nan 0.000 0.459 225 I N 2.521 123.175 120.570 0.139 0.000 2.330 225 I HA 0.416 4.586 4.170 0.000 0.000 0.289 225 I C -0.009 176.151 176.117 0.073 0.000 1.001 225 I CA -1.001 60.329 61.300 0.050 0.000 1.193 225 I CB 0.828 38.818 38.000 -0.016 0.000 1.345 225 I HN 0.655 nan 8.210 nan 0.000 0.461 226 A N 5.924 128.777 122.820 0.055 0.000 2.279 226 A HA 0.713 5.033 4.320 0.000 0.000 0.306 226 A C 0.420 178.023 177.584 0.032 0.000 1.300 226 A CA -0.491 51.570 52.037 0.040 0.000 0.925 226 A CB 0.221 19.240 19.000 0.033 0.000 1.152 226 A HN 0.805 nan 8.150 nan 0.000 0.544 227 A N 3.379 126.220 122.820 0.036 0.000 2.279 227 A HA 0.563 4.883 4.320 0.000 0.000 0.306 227 A C 0.621 178.242 177.584 0.062 0.000 1.300 227 A CA -0.257 51.806 52.037 0.044 0.000 0.925 227 A CB -0.078 18.949 19.000 0.046 0.000 1.152 227 A HN 0.761 nan 8.150 nan 0.000 0.544 228 S N 1.343 117.090 115.700 0.078 0.000 2.549 228 S HA 0.325 4.795 4.470 0.000 0.000 0.283 228 S C 0.183 174.904 174.600 0.202 0.000 1.320 228 S CA 0.216 58.488 58.200 0.120 0.000 1.058 228 S CB -0.392 62.872 63.200 0.107 0.000 0.882 228 S HN 1.103 nan 8.310 nan 0.000 0.498 229 F N 1.890 121.838 119.950 -0.004 0.000 3.071 229 F HA -0.197 4.330 4.527 0.000 0.000 0.295 229 F C -0.009 175.784 175.800 -0.010 0.000 0.919 229 F CA -0.129 57.863 58.000 -0.014 0.000 1.050 229 F CB -1.450 37.531 39.000 -0.032 0.000 1.040 229 F HN 0.323 nan 8.300 nan 0.000 0.692 230 V N 1.930 121.844 119.914 0.000 0.000 2.585 230 V HA -0.039 4.081 4.120 0.000 0.000 0.296 230 V C 1.120 177.161 176.094 -0.087 0.000 1.035 230 V CA 0.949 63.242 62.300 -0.012 0.000 1.084 230 V CB 1.505 33.326 31.823 -0.002 0.000 0.953 230 V HN 0.511 nan 8.190 nan 0.000 0.483 231 Q N 2.280 122.052 119.800 -0.047 0.000 2.280 231 Q HA 0.216 4.556 4.340 0.000 0.000 0.244 231 Q C 0.336 176.314 176.000 -0.037 0.000 0.847 231 Q CA 0.235 55.998 55.803 -0.067 0.000 0.945 231 Q CB 1.306 30.027 28.738 -0.029 0.000 1.115 231 Q HN 0.906 nan 8.270 nan 0.000 0.513 232 S N -2.135 113.550 115.700 -0.024 0.000 2.596 232 S HA 0.619 5.089 4.470 0.000 0.000 0.270 232 S C 0.339 174.925 174.600 -0.024 0.000 1.155 232 S CA -0.354 57.833 58.200 -0.022 0.000 0.827 232 S CB 1.207 64.399 63.200 -0.013 0.000 1.130 232 S HN 0.032 nan 8.310 nan 0.000 0.467 233 A N 0.788 123.589 122.820 -0.032 0.000 1.972 233 A HA -0.047 4.273 4.320 0.000 0.000 0.219 233 A C 1.574 179.155 177.584 -0.005 0.000 1.169 233 A CA 2.031 54.049 52.037 -0.033 0.000 0.635 233 A CB -1.295 17.680 19.000 -0.043 0.000 0.810 233 A HN 0.856 nan 8.150 nan 0.000 0.446 234 D N 0.530 120.932 120.400 0.003 0.000 2.170 234 D HA -0.171 4.469 4.640 0.000 0.000 0.193 234 D C 1.360 177.691 176.300 0.052 0.000 1.004 234 D CA 1.631 55.644 54.000 0.022 0.000 0.860 234 D CB -0.261 40.543 40.800 0.006 0.000 0.931 234 D HN 0.447 nan 8.370 nan 0.000 0.448 235 D N -0.515 119.907 120.400 0.036 0.000 2.144 235 D HA -0.095 4.545 4.640 0.000 0.000 0.199 235 D C 2.258 178.620 176.300 0.103 0.000 0.984 235 D CA 0.536 54.575 54.000 0.065 0.000 0.834 235 D CB -0.172 40.651 40.800 0.039 0.000 0.955 235 D HN 0.155 nan 8.370 nan 0.000 0.465 236 V N 0.992 120.937 119.914 0.052 0.000 2.323 236 V HA -0.150 3.970 4.120 0.000 0.000 0.244 236 V C 2.462 178.578 176.094 0.036 0.000 1.041 236 V CA 1.210 63.529 62.300 0.032 0.000 1.025 236 V CB -0.427 31.391 31.823 -0.010 0.000 0.656 236 V HN 0.071 nan 8.190 nan 0.000 0.451 237 R N -1.007 119.516 120.500 0.039 0.000 2.139 237 R HA -0.227 4.113 4.340 0.000 0.000 0.243 237 R C 2.298 178.636 176.300 0.063 0.000 1.145 237 R CA 2.136 58.258 56.100 0.036 0.000 0.976 237 R CB -0.502 29.820 30.300 0.036 0.000 0.866 237 R HN 0.654 nan 8.270 nan 0.000 0.449 238 Y N 1.224 121.517 120.300 -0.012 0.000 2.163 238 Y HA -0.144 4.407 4.550 0.000 0.000 0.288 238 Y C 1.963 177.858 175.900 -0.009 0.000 1.136 238 Y CA 1.408 59.504 58.100 -0.007 0.000 1.147 238 Y CB -0.199 38.260 38.460 -0.001 0.000 0.987 238 Y HN -0.109 nan 8.280 nan 0.000 0.509 239 I N -0.036 120.530 120.570 -0.007 0.000 2.208 239 I HA -0.314 3.856 4.170 0.000 0.000 0.245 239 I C 2.542 178.577 176.117 -0.136 0.000 1.097 239 I CA 1.699 62.943 61.300 -0.094 0.000 1.363 239 I CB -0.439 37.565 38.000 0.007 0.000 1.051 239 I HN 0.096 nan 8.210 nan 0.000 0.413 240 R N 1.510 121.958 120.500 -0.086 0.000 2.083 240 R HA -0.133 4.207 4.340 0.000 0.000 0.237 240 R C 2.269 178.505 176.300 -0.107 0.000 1.137 240 R CA 1.916 57.967 56.100 -0.083 0.000 0.951 240 R CB -1.129 29.139 30.300 -0.053 0.000 0.851 240 R HN 0.375 nan 8.270 nan 0.000 0.434 241 G N 0.258 108.982 108.800 -0.126 0.000 2.422 241 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 241 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 241 G C 1.282 176.070 174.900 -0.185 0.000 1.146 241 G CA 0.781 45.801 45.100 -0.133 0.000 0.769 241 G HN 0.307 nan 8.290 nan 0.000 0.547 242 L N -0.146 120.897 121.223 -0.300 0.000 2.027 242 L HA 0.092 4.432 4.340 0.000 0.000 0.206 242 L C 2.680 179.451 176.870 -0.164 0.000 1.074 242 L CA 1.165 55.829 54.840 -0.293 0.000 0.745 242 L CB -0.537 41.266 42.059 -0.427 0.000 0.898 242 L HN 0.107 nan 8.230 nan 0.000 0.433 243 L N -0.420 120.717 121.223 -0.144 0.000 2.012 243 L HA 0.036 4.376 4.340 0.000 0.000 0.210 243 L C 1.710 178.534 176.870 -0.078 0.000 1.073 243 L CA 1.577 56.352 54.840 -0.108 0.000 0.748 243 L CB -1.569 40.422 42.059 -0.112 0.000 0.891 243 L HN 0.524 nan 8.230 nan 0.000 0.431 244 G N -1.410 107.345 108.800 -0.075 0.000 2.569 244 G HA2 -0.315 3.645 3.960 0.000 0.000 0.259 244 G HA3 -0.315 3.645 3.960 0.000 0.000 0.259 244 G C -1.488 173.394 174.900 -0.029 0.000 1.263 244 G CA 0.066 45.135 45.100 -0.051 0.000 0.928 244 G HN 0.224 nan 8.290 nan 0.000 0.572 245 P HA 0.044 nan 4.420 nan 0.000 0.217 245 P C 1.897 179.210 177.300 0.022 0.000 1.151 245 P CA 1.542 64.643 63.100 0.001 0.000 0.828 245 P CB -0.055 31.644 31.700 -0.002 0.000 0.788 246 R N -0.250 120.261 120.500 0.018 0.000 2.115 246 R HA 0.024 4.365 4.340 0.000 0.000 0.226 246 R C 1.780 178.138 176.300 0.097 0.000 1.100 246 R CA 1.352 57.481 56.100 0.048 0.000 0.980 246 R CB -0.726 29.588 30.300 0.024 0.000 0.875 246 R HN 0.148 nan 8.270 nan 0.000 0.445 247 G N -0.373 108.431 108.800 0.006 0.000 3.518 247 G HA2 -0.025 3.935 3.960 0.000 0.000 0.273 247 G HA3 -0.025 3.935 3.960 0.000 0.000 0.273 247 G C 0.888 175.712 174.900 -0.126 0.000 1.199 247 G CA -0.498 44.537 45.100 -0.108 0.000 0.899 247 G HN 0.207 nan 8.290 nan 0.000 0.533 248 R N 0.750 121.265 120.500 0.026 0.000 2.096 248 R HA -0.123 4.217 4.340 0.000 0.000 0.235 248 R C 2.046 178.374 176.300 0.047 0.000 1.127 248 R CA 1.403 57.523 56.100 0.033 0.000 0.968 248 R CB -0.175 30.165 30.300 0.067 0.000 0.861 248 R HN 0.614 nan 8.270 nan 0.000 0.440 249 H N -0.897 118.167 119.070 -0.010 0.000 2.553 249 H HA 0.132 4.688 4.556 0.000 0.000 0.269 249 H C 0.118 175.487 175.328 0.067 0.000 1.011 249 H CA 0.132 56.197 56.048 0.029 0.000 1.150 249 H CB -0.418 29.330 29.762 -0.023 0.000 1.339 249 H HN 0.151 nan 8.280 nan 0.000 0.604 250 I N 2.156 122.544 120.570 -0.304 0.000 2.441 250 I HA 0.328 4.498 4.170 0.000 0.000 0.295 250 I C 0.034 176.024 176.117 -0.212 0.000 0.994 250 I CA -0.989 60.141 61.300 -0.284 0.000 1.144 250 I CB 1.751 39.534 38.000 -0.361 0.000 1.314 250 I HN -0.106 nan 8.210 nan 0.000 0.445 251 R N 5.771 126.125 120.500 -0.243 0.000 2.604 251 R HA 0.664 5.005 4.340 0.000 0.000 0.287 251 R C -0.830 175.488 176.300 0.030 0.000 0.970 251 R CA -0.883 55.122 56.100 -0.159 0.000 0.946 251 R CB 1.989 32.141 30.300 -0.247 0.000 1.127 251 R HN 0.551 nan 8.270 nan 0.000 0.473 252 I N 3.200 123.787 120.570 0.028 0.000 2.354 252 I HA 0.401 4.571 4.170 0.000 0.000 0.292 252 I C 0.152 176.302 176.117 0.056 0.000 0.989 252 I CA -0.443 60.881 61.300 0.039 0.000 1.188 252 I CB 1.292 39.290 38.000 -0.003 0.000 1.342 252 I HN 0.329 nan 8.210 nan 0.000 0.457 253 I N 8.159 128.766 120.570 0.062 0.000 2.537 253 I HA 0.291 4.461 4.170 0.000 0.000 0.276 253 I C -2.431 173.699 176.117 0.022 0.000 1.063 253 I CA -1.842 59.477 61.300 0.031 0.000 1.144 253 I CB 1.306 39.308 38.000 0.004 0.000 1.252 253 I HN 0.208 nan 8.210 nan 0.000 0.480 254 P HA 0.046 nan 4.420 nan 0.000 0.265 254 P C -0.880 176.435 177.300 0.026 0.000 1.193 254 P CA -0.031 63.078 63.100 0.015 0.000 0.765 254 P CB 0.440 32.136 31.700 -0.005 0.000 0.823 255 K N 3.413 123.829 120.400 0.027 0.000 2.234 255 K HA 0.385 4.706 4.320 0.000 0.000 0.277 255 K C -0.317 176.281 176.600 -0.004 0.000 1.038 255 K CA -0.720 55.582 56.287 0.024 0.000 0.888 255 K CB 0.844 33.367 32.500 0.037 0.000 1.091 255 K HN 0.329 nan 8.250 nan 0.000 0.467 256 I N 3.014 123.586 120.570 0.002 0.000 2.304 256 I HA 0.036 4.206 4.170 0.000 0.000 0.291 256 I C 0.899 176.963 176.117 -0.087 0.000 1.018 256 I CA 0.500 61.779 61.300 -0.035 0.000 1.260 256 I CB 0.775 38.804 38.000 0.048 0.000 1.390 256 I HN 0.685 nan 8.210 nan 0.000 0.475 257 E N 4.020 124.105 120.200 -0.191 0.000 2.603 257 E HA 0.127 4.477 4.350 0.000 0.000 0.224 257 E C -0.211 176.247 176.600 -0.236 0.000 0.896 257 E CA -0.075 56.218 56.400 -0.179 0.000 1.224 257 E CB 0.579 30.206 29.700 -0.123 0.000 1.206 257 E HN 0.718 nan 8.360 nan 0.000 0.576 258 N N -0.982 117.512 118.700 -0.343 0.000 3.157 258 N HA 0.088 4.828 4.740 0.000 0.000 0.291 258 N C 0.746 176.150 175.510 -0.176 0.000 1.515 258 N CA -0.582 52.315 53.050 -0.255 0.000 0.807 258 N CB 1.005 39.290 38.487 -0.336 0.000 1.672 258 N HN -0.244 nan 8.380 nan 0.000 0.592 259 V N 0.552 120.398 119.914 -0.113 0.000 2.332 259 V HA -0.187 3.933 4.120 0.000 0.000 0.248 259 V C 2.269 178.318 176.094 -0.074 0.000 1.055 259 V CA 1.903 64.157 62.300 -0.077 0.000 1.038 259 V CB -0.671 31.124 31.823 -0.046 0.000 0.651 259 V HN 0.627 nan 8.190 nan 0.000 0.450 260 E N 0.496 120.642 120.200 -0.090 0.000 2.077 260 E HA -0.172 4.179 4.350 0.000 0.000 0.193 260 E C 2.370 178.928 176.600 -0.070 0.000 0.989 260 E CA 1.557 57.915 56.400 -0.071 0.000 0.800 260 E CB -0.729 28.930 29.700 -0.068 0.000 0.746 260 E HN 0.621 nan 8.360 nan 0.000 0.452 261 G N 0.916 109.645 108.800 -0.118 0.000 2.422 261 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 261 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 261 G C 1.594 176.512 174.900 0.030 0.000 1.146 261 G CA 0.423 45.483 45.100 -0.066 0.000 0.769 261 G HN 0.129 nan 8.290 nan 0.000 0.547 262 L N 0.458 121.673 121.223 -0.013 0.000 1.988 262 L HA 0.028 4.368 4.340 0.000 0.000 0.207 262 L C 3.145 180.041 176.870 0.044 0.000 1.071 262 L CA 0.965 55.807 54.840 0.003 0.000 0.744 262 L CB -0.952 41.068 42.059 -0.065 0.000 0.893 262 L HN 0.097 nan 8.230 nan 0.000 0.433 263 V N 0.383 120.300 119.914 0.006 0.000 2.324 263 V HA -0.275 3.845 4.120 0.000 0.000 0.250 263 V C 1.498 177.610 176.094 0.030 0.000 1.060 263 V CA 1.744 64.049 62.300 0.009 0.000 1.042 263 V CB -0.587 31.230 31.823 -0.009 0.000 0.650 263 V HN 0.536 nan 8.190 nan 0.000 0.450 264 N N -0.812 117.904 118.700 0.028 0.000 2.276 264 N HA 0.062 4.802 4.740 0.000 0.000 0.212 264 N C 1.162 176.687 175.510 0.024 0.000 1.127 264 N CA 0.015 53.073 53.050 0.014 0.000 0.834 264 N CB -0.027 38.452 38.487 -0.013 0.000 1.014 264 N HN 0.496 nan 8.380 nan 0.000 0.491 265 F N 2.203 122.122 119.950 -0.051 0.000 2.091 265 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 265 F C 1.687 177.463 175.800 -0.040 0.000 1.103 265 F CA 1.633 59.602 58.000 -0.051 0.000 1.228 265 F CB 0.139 39.106 39.000 -0.055 0.000 0.984 265 F HN -0.012 nan 8.300 nan 0.000 0.477 266 D N 0.192 120.530 120.400 -0.104 0.000 2.144 266 D HA -0.195 4.445 4.640 0.000 0.000 0.200 266 D C 2.197 178.372 176.300 -0.208 0.000 0.978 266 D CA 1.647 55.542 54.000 -0.175 0.000 0.833 266 D CB -0.367 40.423 40.800 -0.015 0.000 0.961 266 D HN 0.685 nan 8.370 nan 0.000 0.470 267 E N 0.587 120.701 120.200 -0.143 0.000 2.152 267 E HA -0.106 4.244 4.350 0.000 0.000 0.192 267 E C 2.302 178.810 176.600 -0.154 0.000 0.983 267 E CA 0.529 56.859 56.400 -0.117 0.000 0.818 267 E CB -0.380 29.280 29.700 -0.068 0.000 0.758 267 E HN 0.256 nan 8.360 nan 0.000 0.467 268 I N 0.879 121.324 120.570 -0.209 0.000 2.163 268 I HA -0.233 3.937 4.170 0.000 0.000 0.240 268 I C 2.582 178.526 176.117 -0.288 0.000 1.081 268 I CA 0.685 61.855 61.300 -0.218 0.000 1.353 268 I CB -0.272 37.608 38.000 -0.200 0.000 1.054 268 I HN 0.144 nan 8.210 nan 0.000 0.407 269 L N 1.430 122.345 121.223 -0.512 0.000 2.043 269 L HA -0.228 4.112 4.340 0.000 0.000 0.212 269 L C 2.549 179.275 176.870 -0.239 0.000 1.075 269 L CA 2.231 56.792 54.840 -0.463 0.000 0.752 269 L CB -0.866 40.767 42.059 -0.709 0.000 0.891 269 L HN 0.229 nan 8.230 nan 0.000 0.432 270 A N -1.121 121.579 122.820 -0.200 0.000 1.940 270 A HA -0.182 4.138 4.320 0.000 0.000 0.219 270 A C 2.151 179.680 177.584 -0.093 0.000 1.176 270 A CA 1.811 53.776 52.037 -0.120 0.000 0.631 270 A CB -0.503 18.438 19.000 -0.098 0.000 0.814 270 A HN 0.559 nan 8.150 nan 0.000 0.446 271 E N -0.182 119.960 120.200 -0.096 0.000 2.230 271 E HA 0.197 4.547 4.350 0.000 0.000 0.192 271 E C 1.092 177.652 176.600 -0.066 0.000 0.987 271 E CA 0.687 57.046 56.400 -0.069 0.000 0.841 271 E CB -0.391 29.275 29.700 -0.057 0.000 0.783 271 E HN 0.568 nan 8.360 nan 0.000 0.481 272 A N 1.278 124.047 122.820 -0.085 0.000 2.287 272 A HA 0.132 4.453 4.320 0.000 0.000 0.273 272 A C 0.575 178.129 177.584 -0.051 0.000 1.091 272 A CA -0.247 51.751 52.037 -0.066 0.000 0.817 272 A CB 0.429 19.379 19.000 -0.084 0.000 1.069 272 A HN -0.099 nan 8.150 nan 0.000 0.492 273 D N -0.242 120.142 120.400 -0.026 0.000 2.367 273 D HA 0.308 4.948 4.640 0.000 0.000 0.207 273 D C 0.703 177.008 176.300 0.008 0.000 1.034 273 D CA 1.439 55.431 54.000 -0.013 0.000 0.861 273 D CB 0.706 41.501 40.800 -0.009 0.000 0.943 273 D HN 0.777 nan 8.370 nan 0.000 0.515 274 G N 0.115 108.916 108.800 0.001 0.000 2.349 274 G HA2 0.409 4.370 3.960 0.000 0.000 0.294 274 G HA3 0.409 4.370 3.960 0.000 0.000 0.294 274 G C -1.937 172.965 174.900 0.003 0.000 1.380 274 G CA -0.620 44.481 45.100 0.002 0.000 0.811 274 G HN -0.074 nan 8.290 nan 0.000 0.519 275 I N 0.711 121.293 120.570 0.021 0.000 2.619 275 I HA 0.497 4.667 4.170 0.000 0.000 0.292 275 I C -0.412 175.726 176.117 0.034 0.000 1.100 275 I CA -0.628 60.708 61.300 0.060 0.000 1.043 275 I CB 1.958 40.065 38.000 0.178 0.000 1.239 275 I HN 0.645 nan 8.210 nan 0.000 0.420 276 M N 6.924 126.542 119.600 0.031 0.000 2.227 276 M HA 0.553 5.033 4.480 0.000 0.000 0.335 276 M C -1.324 174.990 176.300 0.022 0.000 1.053 276 M CA -0.549 54.759 55.300 0.014 0.000 0.973 276 M CB 1.430 34.031 32.600 0.001 0.000 1.623 276 M HN 0.393 nan 8.290 nan 0.000 0.434 277 I N 4.622 125.197 120.570 0.008 0.000 2.304 277 I HA 0.337 4.507 4.170 0.000 0.000 0.291 277 I C 0.199 176.312 176.117 -0.007 0.000 1.018 277 I CA -0.526 60.768 61.300 -0.010 0.000 1.260 277 I CB 1.457 39.437 38.000 -0.033 0.000 1.390 277 I HN 0.775 nan 8.210 nan 0.000 0.475 278 A N 6.460 129.276 122.820 -0.007 0.000 2.880 278 A HA 0.412 4.733 4.320 0.000 0.000 0.328 278 A C 1.118 178.700 177.584 -0.003 0.000 1.440 278 A CA -0.561 51.479 52.037 0.004 0.000 1.068 278 A CB -0.098 18.913 19.000 0.018 0.000 1.163 278 A HN 0.809 nan 8.150 nan 0.000 0.510 279 R N 1.359 121.858 120.500 -0.002 0.000 2.073 279 R HA -0.113 4.227 4.340 0.000 0.000 0.234 279 R C 2.318 178.622 176.300 0.006 0.000 1.134 279 R CA 2.070 58.168 56.100 -0.003 0.000 0.952 279 R CB -0.322 29.981 30.300 0.004 0.000 0.850 279 R HN 0.661 nan 8.270 nan 0.000 0.433 280 G N 0.572 109.381 108.800 0.016 0.000 2.422 280 G HA2 -0.277 3.683 3.960 0.000 0.000 0.218 280 G HA3 -0.277 3.683 3.960 0.000 0.000 0.218 280 G C 0.611 175.527 174.900 0.026 0.000 1.146 280 G CA 1.365 46.478 45.100 0.022 0.000 0.769 280 G HN 0.329 nan 8.290 nan 0.000 0.547 281 D N 0.156 120.574 120.400 0.030 0.000 2.149 281 D HA 0.009 4.649 4.640 0.000 0.000 0.201 281 D C 2.444 178.759 176.300 0.025 0.000 0.972 281 D CA 0.236 54.262 54.000 0.045 0.000 0.835 281 D CB -0.083 40.760 40.800 0.071 0.000 0.966 281 D HN 0.259 nan 8.370 nan 0.000 0.476 282 L N 0.694 121.916 121.223 -0.002 0.000 2.083 282 L HA -0.068 4.272 4.340 0.000 0.000 0.209 282 L C 2.487 179.349 176.870 -0.014 0.000 1.083 282 L CA 1.265 56.089 54.840 -0.026 0.000 0.752 282 L CB -0.559 41.471 42.059 -0.048 0.000 0.899 282 L HN 0.167 nan 8.230 nan 0.000 0.433 283 G N -0.861 107.939 108.800 -0.001 0.000 2.535 283 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 283 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 283 G C 1.452 176.359 174.900 0.012 0.000 1.122 283 G CA 0.277 45.381 45.100 0.007 0.000 0.769 283 G HN 0.181 nan 8.290 nan 0.000 0.549 284 M N 0.097 119.708 119.600 0.018 0.000 2.495 284 M HA 0.213 4.693 4.480 0.000 0.000 0.237 284 M C 1.384 177.699 176.300 0.025 0.000 1.131 284 M CA 0.575 55.891 55.300 0.025 0.000 1.032 284 M CB 0.196 32.818 32.600 0.037 0.000 1.513 284 M HN 0.150 nan 8.290 nan 0.000 0.488 285 E N 0.467 120.675 120.200 0.013 0.000 2.414 285 E HA 0.318 4.668 4.350 0.000 0.000 0.208 285 E C 0.861 177.456 176.600 -0.008 0.000 0.820 285 E CA 0.346 56.750 56.400 0.007 0.000 1.143 285 E CB 1.409 31.106 29.700 -0.005 0.000 1.150 285 E HN 0.493 nan 8.360 nan 0.000 0.540 286 I N -1.134 119.426 120.570 -0.017 0.000 3.002 286 I HA 0.578 4.749 4.170 0.000 0.000 0.310 286 I C -2.750 173.357 176.117 -0.017 0.000 1.087 286 I CA -2.893 58.392 61.300 -0.025 0.000 1.017 286 I CB 1.927 39.898 38.000 -0.049 0.000 1.226 286 I HN -0.350 nan 8.210 nan 0.000 0.443 287 P HA 0.160 nan 4.420 nan 0.000 0.265 287 P C -2.068 175.232 177.300 -0.001 0.000 1.193 287 P CA -0.941 62.156 63.100 -0.005 0.000 0.765 287 P CB 0.013 31.710 31.700 -0.006 0.000 0.823 288 P HA -0.221 nan 4.420 nan 0.000 0.217 288 P C 1.074 178.422 177.300 0.079 0.000 1.148 288 P CA 1.539 64.662 63.100 0.039 0.000 0.828 288 P CB -0.083 31.642 31.700 0.042 0.000 0.783 289 E N 0.869 121.121 120.200 0.087 0.000 2.472 289 E HA -0.140 4.210 4.350 0.000 0.000 0.200 289 E C 1.297 177.916 176.600 0.032 0.000 1.046 289 E CA 0.873 57.380 56.400 0.178 0.000 0.871 289 E CB -0.387 29.403 29.700 0.150 0.000 0.806 289 E HN 0.331 nan 8.360 nan 0.000 0.533 290 K N 0.461 120.803 120.400 -0.097 0.000 2.360 290 K HA 0.140 4.460 4.320 0.000 0.000 0.196 290 K C 1.917 178.327 176.600 -0.315 0.000 1.049 290 K CA 0.243 56.372 56.287 -0.264 0.000 1.049 290 K CB 0.801 33.206 32.500 -0.158 0.000 0.881 290 K HN -0.048 nan 8.250 nan 0.000 0.542 291 V N 1.814 121.627 119.914 -0.168 0.000 2.453 291 V HA -0.227 3.893 4.120 0.000 0.000 0.247 291 V C 2.081 178.105 176.094 -0.117 0.000 1.048 291 V CA 1.639 63.870 62.300 -0.115 0.000 1.049 291 V CB -0.671 31.138 31.823 -0.023 0.000 0.672 291 V HN 0.307 nan 8.190 nan 0.000 0.457 292 F N 0.128 120.050 119.950 -0.047 0.000 2.216 292 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 292 F C 1.954 177.719 175.800 -0.058 0.000 1.085 292 F CA 1.338 59.309 58.000 -0.048 0.000 1.326 292 F CB -0.988 37.989 39.000 -0.038 0.000 1.027 292 F HN 0.105 nan 8.300 nan 0.000 0.497 293 L N 1.307 121.958 121.223 -0.952 0.000 2.027 293 L HA 0.047 4.387 4.340 0.000 0.000 0.206 293 L C 2.722 179.396 176.870 -0.327 0.000 1.074 293 L CA 1.796 56.247 54.840 -0.650 0.000 0.745 293 L CB -1.474 40.134 42.059 -0.751 0.000 0.898 293 L HN 0.289 nan 8.230 nan 0.000 0.433 294 A N -1.345 121.293 122.820 -0.304 0.000 1.902 294 A HA -0.293 4.027 4.320 0.000 0.000 0.217 294 A C 2.285 179.728 177.584 -0.236 0.000 1.181 294 A CA 1.865 53.751 52.037 -0.252 0.000 0.623 294 A CB -0.676 18.194 19.000 -0.218 0.000 0.818 294 A HN 0.594 nan 8.150 nan 0.000 0.443 295 Q N -0.216 119.484 119.800 -0.165 0.000 2.050 295 Q HA -0.228 4.112 4.340 0.000 0.000 0.202 295 Q C 2.023 177.956 176.000 -0.111 0.000 0.980 295 Q CA 1.974 57.705 55.803 -0.119 0.000 0.840 295 Q CB -0.150 28.560 28.738 -0.045 0.000 0.898 295 Q HN 0.682 nan 8.270 nan 0.000 0.424 296 K N -0.361 119.990 120.400 -0.081 0.000 2.002 296 K HA -0.163 4.157 4.320 0.000 0.000 0.209 296 K C 2.253 178.796 176.600 -0.095 0.000 1.048 296 K CA 1.770 58.024 56.287 -0.056 0.000 0.930 296 K CB -0.270 32.227 32.500 -0.005 0.000 0.714 296 K HN 0.156 nan 8.250 nan 0.000 0.438 297 M N 0.770 120.285 119.600 -0.141 0.000 2.108 297 M HA -0.140 4.340 4.480 0.000 0.000 0.261 297 M C 2.156 178.327 176.300 -0.214 0.000 1.066 297 M CA 1.693 56.898 55.300 -0.158 0.000 1.107 297 M CB -0.641 31.849 32.600 -0.183 0.000 1.356 297 M HN 0.293 nan 8.290 nan 0.000 0.406 298 M N -1.144 118.243 119.600 -0.355 0.000 2.156 298 M HA -0.084 4.396 4.480 0.000 0.000 0.264 298 M C 2.106 178.310 176.300 -0.160 0.000 1.067 298 M CA 1.759 56.736 55.300 -0.537 0.000 1.131 298 M CB -0.518 31.602 32.600 -0.799 0.000 1.368 298 M HN 0.365 nan 8.290 nan 0.000 0.416 299 I N 0.312 120.816 120.570 -0.110 0.000 2.208 299 I HA -0.285 3.885 4.170 0.000 0.000 0.245 299 I C 2.704 178.812 176.117 -0.015 0.000 1.097 299 I CA 1.348 62.627 61.300 -0.036 0.000 1.363 299 I CB -0.527 37.452 38.000 -0.035 0.000 1.051 299 I HN 0.257 nan 8.210 nan 0.000 0.413 300 A N 0.671 123.473 122.820 -0.031 0.000 1.902 300 A HA -0.235 4.086 4.320 0.000 0.000 0.217 300 A C 2.308 179.896 177.584 0.007 0.000 1.181 300 A CA 1.706 53.732 52.037 -0.019 0.000 0.623 300 A CB -0.447 18.537 19.000 -0.028 0.000 0.818 300 A HN 0.313 nan 8.150 nan 0.000 0.443 301 K N -0.818 119.607 120.400 0.042 0.000 2.057 301 K HA -0.136 4.184 4.320 0.000 0.000 0.207 301 K C 2.030 178.697 176.600 0.111 0.000 1.049 301 K CA 1.489 57.845 56.287 0.113 0.000 0.931 301 K CB -0.448 32.219 32.500 0.277 0.000 0.714 301 K HN 0.581 nan 8.250 nan 0.000 0.440 302 C N 0.909 120.289 119.300 0.133 0.000 2.425 302 C HA -0.062 4.398 4.460 0.000 0.000 0.277 302 C C 2.172 177.176 174.990 0.022 0.000 1.280 302 C CA 0.625 59.693 59.018 0.084 0.000 1.744 302 C CB -1.241 26.559 27.740 0.100 0.000 1.989 302 C HN 0.529 nan 8.230 nan 0.000 0.491 303 N N 0.795 119.499 118.700 0.006 0.000 2.120 303 N HA -0.120 4.620 4.740 0.000 0.000 0.188 303 N C 1.552 177.023 175.510 -0.065 0.000 1.024 303 N CA 1.231 54.262 53.050 -0.031 0.000 0.852 303 N CB -0.067 38.400 38.487 -0.035 0.000 1.003 303 N HN 0.338 nan 8.380 nan 0.000 0.424 304 V N 1.016 120.901 119.914 -0.048 0.000 2.515 304 V HA -0.109 4.011 4.120 0.000 0.000 0.250 304 V C 1.928 177.982 176.094 -0.067 0.000 1.058 304 V CA 1.240 63.499 62.300 -0.067 0.000 1.064 304 V CB -0.186 31.615 31.823 -0.037 0.000 0.675 304 V HN 0.317 nan 8.190 nan 0.000 0.461 305 V N -2.095 117.795 119.914 -0.041 0.000 3.542 305 V HA 0.620 4.740 4.120 0.000 0.000 0.296 305 V C 1.440 177.514 176.094 -0.034 0.000 1.364 305 V CA 0.431 62.710 62.300 -0.035 0.000 1.118 305 V CB -0.508 31.299 31.823 -0.026 0.000 0.972 305 V HN 0.613 nan 8.190 nan 0.000 0.430 306 G N 0.765 109.537 108.800 -0.046 0.000 2.179 306 G HA2 -0.300 3.660 3.960 0.000 0.000 0.257 306 G HA3 -0.300 3.660 3.960 0.000 0.000 0.257 306 G C 0.097 174.993 174.900 -0.007 0.000 1.010 306 G CA 0.685 45.764 45.100 -0.035 0.000 0.736 306 G HN 0.647 nan 8.290 nan 0.000 0.513 307 K N 1.376 121.773 120.400 -0.004 0.000 2.201 307 K HA 0.427 4.747 4.320 0.000 0.000 0.278 307 K C -2.062 174.547 176.600 0.015 0.000 1.027 307 K CA -1.912 54.378 56.287 0.006 0.000 0.909 307 K CB 1.656 34.154 32.500 -0.004 0.000 1.062 307 K HN 0.066 nan 8.250 nan 0.000 0.465 308 P HA -0.025 nan 4.420 nan 0.000 0.268 308 P C -0.855 176.447 177.300 0.003 0.000 1.205 308 P CA -0.231 62.874 63.100 0.008 0.000 0.771 308 P CB 0.990 32.690 31.700 -0.000 0.000 0.858 309 V N 4.859 124.776 119.914 0.005 0.000 2.588 309 V HA 0.468 4.588 4.120 0.000 0.000 0.304 309 V C -0.545 175.545 176.094 -0.006 0.000 1.042 309 V CA -1.066 61.240 62.300 0.010 0.000 0.877 309 V CB 1.433 33.275 31.823 0.031 0.000 0.996 309 V HN 0.306 nan 8.190 nan 0.000 0.425 310 I N 5.555 126.116 120.570 -0.015 0.000 2.339 310 I HA 0.388 4.559 4.170 0.000 0.000 0.290 310 I C 0.135 176.248 176.117 -0.006 0.000 0.994 310 I CA -0.272 61.016 61.300 -0.019 0.000 1.191 310 I CB 1.977 39.951 38.000 -0.043 0.000 1.343 310 I HN 0.503 nan 8.210 nan 0.000 0.458 311 T N 5.901 120.454 114.554 -0.001 0.000 2.743 311 T HA 0.663 5.013 4.350 0.000 0.000 0.293 311 T C -0.009 174.694 174.700 0.005 0.000 0.945 311 T CA -0.429 61.672 62.100 0.000 0.000 1.030 311 T CB 1.135 70.004 68.868 0.002 0.000 0.912 311 T HN 0.714 nan 8.240 nan 0.000 0.483 312 A N 3.047 125.871 122.820 0.007 0.000 2.527 312 A HA 0.969 5.289 4.320 0.000 0.000 0.293 312 A C 0.205 177.799 177.584 0.017 0.000 1.117 312 A CA -0.475 51.571 52.037 0.014 0.000 0.723 312 A CB 1.104 20.113 19.000 0.016 0.000 1.313 312 A HN 1.681 nan 8.150 nan 0.000 0.411 313 T N -0.954 113.614 114.554 0.023 0.000 0.542 313 T HA -0.137 4.213 4.350 0.000 0.000 0.774 313 T C -0.032 174.681 174.700 0.021 0.000 0.992 313 T CA 1.082 63.197 62.100 0.026 0.000 4.076 313 T CB -1.825 67.060 68.868 0.028 0.000 2.303 313 T HN 2.307 nan 8.240 nan 0.000 0.398 314 Q N 1.394 121.208 119.800 0.023 0.000 2.451 314 Q HA -0.237 4.103 4.340 0.000 0.000 0.305 314 Q C 0.974 176.982 176.000 0.013 0.000 1.345 314 Q CA 1.187 57.001 55.803 0.019 0.000 0.854 314 Q CB -0.984 27.764 28.738 0.018 0.000 1.162 314 Q HN 0.720 nan 8.270 nan 0.000 0.440 315 M N -0.653 118.955 119.600 0.014 0.000 2.206 315 M HA 0.061 4.541 4.480 0.000 0.000 0.249 315 M C 0.963 177.264 176.300 0.002 0.000 1.125 315 M CA 1.014 56.319 55.300 0.008 0.000 1.166 315 M CB -0.162 32.444 32.600 0.010 0.000 1.266 315 M HN 0.242 nan 8.290 nan 0.000 0.445 316 L N 0.917 122.143 121.223 0.005 0.000 3.096 316 L HA 0.273 4.613 4.340 0.000 0.000 0.272 316 L C 1.431 178.309 176.870 0.013 0.000 1.311 316 L CA 0.109 54.949 54.840 0.001 0.000 0.943 316 L CB -0.524 41.531 42.059 -0.007 0.000 1.348 316 L HN 0.383 nan 8.230 nan 0.000 0.562 317 E N 0.371 120.580 120.200 0.016 0.000 2.097 317 E HA -0.241 4.109 4.350 0.000 0.000 0.196 317 E C 1.899 178.516 176.600 0.029 0.000 1.000 317 E CA 1.812 58.227 56.400 0.024 0.000 0.804 317 E CB 0.389 30.102 29.700 0.022 0.000 0.740 317 E HN 0.587 nan 8.360 nan 0.000 0.454 318 S N 0.117 115.829 115.700 0.019 0.000 2.469 318 S HA -0.105 4.365 4.470 0.000 0.000 0.238 318 S C 1.800 176.422 174.600 0.037 0.000 0.998 318 S CA 0.735 58.947 58.200 0.021 0.000 0.957 318 S CB -0.169 63.034 63.200 0.005 0.000 0.764 318 S HN 0.200 nan 8.310 nan 0.000 0.514 319 M N 0.393 120.017 119.600 0.040 0.000 2.618 319 M HA 0.241 4.721 4.480 0.000 0.000 0.240 319 M C 1.485 177.883 176.300 0.163 0.000 1.123 319 M CA 0.402 55.745 55.300 0.071 0.000 1.060 319 M CB -0.462 32.157 32.600 0.031 0.000 1.535 319 M HN 0.346 nan 8.290 nan 0.000 0.507 320 I N -0.020 120.618 120.570 0.114 0.000 2.264 320 I HA -0.311 3.859 4.170 0.000 0.000 0.248 320 I C 2.259 178.458 176.117 0.138 0.000 1.111 320 I CA 1.385 62.747 61.300 0.104 0.000 1.382 320 I CB -0.169 37.866 38.000 0.058 0.000 1.060 320 I HN 0.141 nan 8.210 nan 0.000 0.418 321 K N -1.276 119.220 120.400 0.160 0.000 2.399 321 K HA 0.243 4.564 4.320 0.000 0.000 0.196 321 K C 0.336 177.127 176.600 0.319 0.000 1.117 321 K CA -0.001 56.397 56.287 0.185 0.000 0.965 321 K CB -0.022 32.537 32.500 0.098 0.000 0.983 321 K HN 0.274 nan 8.250 nan 0.000 0.531 322 N N 0.925 119.746 118.700 0.202 0.000 2.370 322 N HA 0.292 5.032 4.740 0.000 0.000 0.303 322 N C -2.393 172.914 175.510 -0.338 0.000 1.103 322 N CA -1.999 51.059 53.050 0.012 0.000 0.848 322 N CB 1.751 40.220 38.487 -0.030 0.000 1.235 322 N HN -0.059 nan 8.380 nan 0.000 0.496 323 P HA 0.066 nan 4.420 nan 0.000 0.241 323 P C -0.285 176.749 177.300 -0.443 0.000 1.191 323 P CA 0.773 63.267 63.100 -1.009 0.000 0.771 323 P CB 0.828 31.959 31.700 -0.948 0.000 0.929 324 R N 0.203 120.539 120.500 -0.274 0.000 2.744 324 R HA 0.494 4.834 4.340 0.000 0.000 0.279 324 R C -2.657 173.573 176.300 -0.117 0.000 0.977 324 R CA -2.131 53.866 56.100 -0.173 0.000 0.906 324 R CB 1.894 32.109 30.300 -0.141 0.000 1.197 324 R HN -0.043 nan 8.270 nan 0.000 0.463 325 P HA 0.088 nan 4.420 nan 0.000 0.278 325 P C -0.384 176.884 177.300 -0.055 0.000 1.266 325 P CA -0.388 62.673 63.100 -0.065 0.000 0.807 325 P CB 0.667 32.328 31.700 -0.064 0.000 1.094 326 T N -2.807 111.723 114.554 -0.040 0.000 2.849 326 T HA 0.199 4.549 4.350 0.000 0.000 0.284 326 T C 1.392 176.070 174.700 -0.036 0.000 1.004 326 T CA -0.586 61.493 62.100 -0.035 0.000 1.021 326 T CB 0.852 69.705 68.868 -0.025 0.000 1.013 326 T HN 0.430 nan 8.240 nan 0.000 0.527 327 R N 0.608 121.088 120.500 -0.034 0.000 2.083 327 R HA -0.141 4.199 4.340 0.000 0.000 0.237 327 R C 2.463 178.744 176.300 -0.032 0.000 1.137 327 R CA 1.745 57.825 56.100 -0.033 0.000 0.951 327 R CB -1.150 29.132 30.300 -0.030 0.000 0.851 327 R HN 0.847 nan 8.270 nan 0.000 0.434 328 A N 1.038 123.841 122.820 -0.029 0.000 1.902 328 A HA -0.192 4.128 4.320 0.000 0.000 0.217 328 A C 1.958 179.527 177.584 -0.026 0.000 1.181 328 A CA 1.699 53.719 52.037 -0.028 0.000 0.623 328 A CB -0.438 18.547 19.000 -0.024 0.000 0.818 328 A HN 0.555 nan 8.150 nan 0.000 0.443 329 E N -0.297 119.888 120.200 -0.025 0.000 2.051 329 E HA -0.117 4.233 4.350 0.000 0.000 0.192 329 E C 2.373 178.956 176.600 -0.028 0.000 0.991 329 E CA 0.977 57.364 56.400 -0.023 0.000 0.799 329 E CB -0.317 29.369 29.700 -0.022 0.000 0.748 329 E HN 0.616 nan 8.360 nan 0.000 0.449 330 A N 1.533 124.332 122.820 -0.036 0.000 1.883 330 A HA -0.177 4.143 4.320 0.000 0.000 0.217 330 A C 2.405 179.968 177.584 -0.034 0.000 1.186 330 A CA 1.897 53.910 52.037 -0.040 0.000 0.624 330 A CB -0.749 18.224 19.000 -0.046 0.000 0.822 330 A HN 0.306 nan 8.150 nan 0.000 0.444 331 A N -0.235 122.565 122.820 -0.033 0.000 1.933 331 A HA -0.170 4.150 4.320 0.000 0.000 0.218 331 A C 1.830 179.396 177.584 -0.030 0.000 1.175 331 A CA 2.156 54.173 52.037 -0.033 0.000 0.628 331 A CB -0.645 18.332 19.000 -0.037 0.000 0.814 331 A HN 0.578 nan 8.150 nan 0.000 0.444 332 D N -0.388 119.997 120.400 -0.026 0.000 2.097 332 D HA -0.120 4.520 4.640 0.000 0.000 0.195 332 D C 1.777 178.069 176.300 -0.013 0.000 0.989 332 D CA 1.647 55.637 54.000 -0.018 0.000 0.827 332 D CB -0.134 40.659 40.800 -0.012 0.000 0.966 332 D HN 0.142 nan 8.370 nan 0.000 0.456 333 V N 0.756 120.661 119.914 -0.015 0.000 2.358 333 V HA -0.175 3.945 4.120 0.000 0.000 0.246 333 V C 2.613 178.700 176.094 -0.012 0.000 1.047 333 V CA 1.723 64.015 62.300 -0.012 0.000 1.035 333 V CB -0.970 30.842 31.823 -0.019 0.000 0.658 333 V HN 0.349 nan 8.190 nan 0.000 0.452 334 A N 0.439 123.248 122.820 -0.018 0.000 1.902 334 A HA -0.282 4.038 4.320 0.000 0.000 0.217 334 A C 2.024 179.597 177.584 -0.019 0.000 1.181 334 A CA 2.416 54.442 52.037 -0.019 0.000 0.623 334 A CB -0.863 18.122 19.000 -0.025 0.000 0.818 334 A HN 0.667 nan 8.150 nan 0.000 0.443 335 N N -0.106 118.582 118.700 -0.020 0.000 2.244 335 N HA 0.022 4.762 4.740 0.000 0.000 0.183 335 N C 1.820 177.323 175.510 -0.010 0.000 1.016 335 N CA 0.994 54.032 53.050 -0.019 0.000 0.866 335 N CB -0.223 38.249 38.487 -0.024 0.000 0.980 335 N HN 0.503 nan 8.380 nan 0.000 0.430 336 A N 0.478 123.295 122.820 -0.005 0.000 1.902 336 A HA -0.092 4.228 4.320 0.000 0.000 0.217 336 A C 2.316 179.900 177.584 -0.000 0.000 1.181 336 A CA 1.107 53.143 52.037 -0.000 0.000 0.623 336 A CB -0.800 18.202 19.000 0.003 0.000 0.818 336 A HN 0.094 nan 8.150 nan 0.000 0.443 337 V N 0.139 120.054 119.914 0.002 0.000 2.287 337 V HA -0.280 3.840 4.120 0.000 0.000 0.248 337 V C 2.542 178.628 176.094 -0.013 0.000 1.053 337 V CA 2.092 64.396 62.300 0.006 0.000 1.027 337 V CB -0.749 31.082 31.823 0.014 0.000 0.646 337 V HN 0.574 nan 8.190 nan 0.000 0.447 338 L N -0.369 120.839 121.223 -0.024 0.000 2.201 338 L HA -0.135 4.205 4.340 0.000 0.000 0.212 338 L C 2.244 179.094 176.870 -0.035 0.000 1.105 338 L CA 1.106 55.922 54.840 -0.041 0.000 0.775 338 L CB -0.637 41.397 42.059 -0.043 0.000 0.913 338 L HN 0.339 nan 8.230 nan 0.000 0.440 339 D N 0.251 120.638 120.400 -0.021 0.000 2.178 339 D HA -0.090 4.550 4.640 0.000 0.000 0.201 339 D C 1.643 177.931 176.300 -0.020 0.000 0.980 339 D CA 1.534 55.524 54.000 -0.016 0.000 0.842 339 D CB 0.078 40.873 40.800 -0.008 0.000 0.948 339 D HN 0.413 nan 8.370 nan 0.000 0.472 340 G N -0.648 108.142 108.800 -0.017 0.000 2.173 340 G HA2 -0.197 3.763 3.960 0.000 0.000 0.142 340 G HA3 -0.197 3.763 3.960 0.000 0.000 0.142 340 G C 0.432 175.333 174.900 0.001 0.000 1.019 340 G CA 0.121 45.214 45.100 -0.012 0.000 0.699 340 G HN 0.325 nan 8.290 nan 0.000 0.495 341 T N 0.224 114.781 114.554 0.005 0.000 2.946 341 T HA 0.300 4.650 4.350 0.000 0.000 0.311 341 T C 1.515 176.230 174.700 0.025 0.000 1.063 341 T CA 1.334 63.441 62.100 0.012 0.000 1.139 341 T CB 0.365 69.240 68.868 0.011 0.000 0.994 341 T HN 0.257 nan 8.240 nan 0.000 0.547 342 D N 1.683 122.098 120.400 0.023 0.000 2.120 342 D HA 0.101 4.741 4.640 0.000 0.000 0.202 342 D C 0.365 176.689 176.300 0.040 0.000 0.972 342 D CA 0.823 54.843 54.000 0.033 0.000 0.837 342 D CB 0.282 41.096 40.800 0.023 0.000 0.989 342 D HN 0.465 nan 8.370 nan 0.000 0.469 343 C N 0.287 119.601 119.300 0.023 0.000 2.614 343 C HA 0.720 5.180 4.460 0.000 0.000 0.320 343 C C -0.264 174.742 174.990 0.026 0.000 1.200 343 C CA -1.173 57.861 59.018 0.026 0.000 1.700 343 C CB 1.534 29.270 27.740 -0.006 0.000 2.275 343 C HN 0.114 nan 8.230 nan 0.000 0.492 344 V N 0.595 120.532 119.914 0.039 0.000 2.628 344 V HA 0.738 4.858 4.120 0.000 0.000 0.306 344 V C -0.606 175.506 176.094 0.029 0.000 1.045 344 V CA -0.648 61.669 62.300 0.029 0.000 0.905 344 V CB 1.661 33.502 31.823 0.031 0.000 0.997 344 V HN 0.979 nan 8.190 nan 0.000 0.436 345 M N 4.259 123.872 119.600 0.023 0.000 2.321 345 M HA 0.649 5.130 4.480 0.000 0.000 0.315 345 M C -1.727 174.592 176.300 0.031 0.000 1.052 345 M CA -0.655 54.661 55.300 0.027 0.000 0.936 345 M CB 1.875 34.488 32.600 0.021 0.000 1.639 345 M HN 0.738 nan 8.290 nan 0.000 0.433 346 L N 3.062 124.308 121.223 0.040 0.000 2.309 346 L HA 0.505 4.845 4.340 0.000 0.000 0.282 346 L C 0.093 176.993 176.870 0.051 0.000 1.036 346 L CA -0.276 54.590 54.840 0.043 0.000 0.806 346 L CB 1.861 43.948 42.059 0.046 0.000 1.220 346 L HN 0.833 nan 8.230 nan 0.000 0.429 347 S N 1.022 116.753 115.700 0.051 0.000 3.200 347 S HA 0.173 4.643 4.470 0.000 0.000 0.173 347 S C 1.596 176.232 174.600 0.060 0.000 0.768 347 S CA 0.316 58.552 58.200 0.059 0.000 1.018 347 S CB -0.270 62.964 63.200 0.056 0.000 0.769 347 S HN 0.864 nan 8.310 nan 0.000 0.736 348 G N 1.305 110.138 108.800 0.054 0.000 2.475 348 G HA2 -0.229 3.731 3.960 0.000 0.000 0.220 348 G HA3 -0.229 3.731 3.960 0.000 0.000 0.220 348 G C 1.007 175.935 174.900 0.047 0.000 1.125 348 G CA 1.339 46.467 45.100 0.047 0.000 0.755 348 G HN 0.550 nan 8.290 nan 0.000 0.565 349 E N 0.106 120.336 120.200 0.051 0.000 2.118 349 E HA -0.094 4.256 4.350 0.000 0.000 0.195 349 E C 2.779 179.417 176.600 0.063 0.000 0.992 349 E CA 1.806 58.242 56.400 0.060 0.000 0.804 349 E CB -0.289 29.445 29.700 0.056 0.000 0.741 349 E HN 0.620 nan 8.360 nan 0.000 0.458 350 T N -2.437 112.154 114.554 0.061 0.000 3.039 350 T HA 0.324 4.674 4.350 0.000 0.000 0.250 350 T C 2.008 176.745 174.700 0.062 0.000 1.052 350 T CA 0.326 62.464 62.100 0.064 0.000 1.125 350 T CB 0.049 68.959 68.868 0.069 0.000 0.908 350 T HN 0.149 nan 8.240 nan 0.000 0.473 351 A N 2.824 125.680 122.820 0.060 0.000 1.897 351 A HA 0.108 4.428 4.320 0.000 0.000 0.215 351 A C 1.755 179.359 177.584 0.034 0.000 1.181 351 A CA 1.352 53.423 52.037 0.058 0.000 0.620 351 A CB -0.468 18.570 19.000 0.063 0.000 0.821 351 A HN 0.660 nan 8.150 nan 0.000 0.443 352 N N -1.663 117.049 118.700 0.021 0.000 2.143 352 N HA 0.290 5.030 4.740 0.000 0.000 0.229 352 N C 0.506 176.010 175.510 -0.011 0.000 1.294 352 N CA 0.274 53.322 53.050 -0.003 0.000 0.883 352 N CB 0.865 39.344 38.487 -0.013 0.000 1.148 352 N HN 0.382 nan 8.380 nan 0.000 0.511 353 G N 0.371 109.173 108.800 0.003 0.000 2.537 353 G HA2 0.133 4.093 3.960 0.000 0.000 0.273 353 G HA3 0.133 4.093 3.960 0.000 0.000 0.273 353 G C 0.319 175.173 174.900 -0.077 0.000 1.189 353 G CA -0.327 44.772 45.100 -0.002 0.000 0.881 353 G HN 0.119 nan 8.290 nan 0.000 0.535 354 E N -0.661 119.437 120.200 -0.171 0.000 2.358 354 E HA 0.033 4.383 4.350 0.000 0.000 0.195 354 E C -0.265 175.840 176.600 -0.825 0.000 1.010 354 E CA 0.723 56.797 56.400 -0.544 0.000 0.856 354 E CB 0.024 29.264 29.700 -0.767 0.000 0.795 354 E HN 0.407 nan 8.360 nan 0.000 0.504 355 F N -0.544 119.412 119.950 0.011 0.000 2.566 355 F HA 0.236 4.763 4.527 0.000 0.000 0.347 355 F C -1.930 173.878 175.800 0.013 0.000 1.515 355 F CA -1.821 56.184 58.000 0.010 0.000 1.103 355 F CB 1.200 40.200 39.000 0.000 0.000 1.385 355 F HN -0.084 nan 8.300 nan 0.000 0.560 356 P HA -0.149 nan 4.420 nan 0.000 0.215 356 P C 1.753 179.111 177.300 0.097 0.000 1.153 356 P CA 1.288 64.444 63.100 0.093 0.000 0.853 356 P CB 0.581 32.320 31.700 0.065 0.000 0.788 357 V N 0.427 120.403 119.914 0.103 0.000 2.270 357 V HA -0.201 3.919 4.120 0.000 0.000 0.245 357 V C 2.764 178.910 176.094 0.087 0.000 1.043 357 V CA 1.500 63.858 62.300 0.096 0.000 1.014 357 V CB -1.103 30.777 31.823 0.095 0.000 0.645 357 V HN -0.042 nan 8.190 nan 0.000 0.447 358 I N 0.186 120.819 120.570 0.105 0.000 2.248 358 I HA -0.287 3.883 4.170 0.000 0.000 0.248 358 I C 2.513 178.626 176.117 -0.006 0.000 1.107 358 I CA 1.942 63.270 61.300 0.046 0.000 1.373 358 I CB -0.505 37.525 38.000 0.049 0.000 1.055 358 I HN 0.368 nan 8.210 nan 0.000 0.418 359 T N 0.144 114.722 114.554 0.040 0.000 2.746 359 T HA -0.130 4.220 4.350 0.000 0.000 0.267 359 T C 1.973 176.663 174.700 -0.017 0.000 1.039 359 T CA 1.334 63.440 62.100 0.009 0.000 1.142 359 T CB -0.291 68.610 68.868 0.054 0.000 0.866 359 T HN 0.129 nan 8.240 nan 0.000 0.444 360 V N 1.628 121.550 119.914 0.014 0.000 2.343 360 V HA -0.180 3.940 4.120 0.000 0.000 0.247 360 V C 2.500 178.573 176.094 -0.035 0.000 1.051 360 V CA 1.647 63.957 62.300 0.018 0.000 1.036 360 V CB -0.630 31.234 31.823 0.069 0.000 0.654 360 V HN 0.548 nan 8.190 nan 0.000 0.451 361 E N 0.010 120.171 120.200 -0.064 0.000 2.085 361 E HA -0.205 4.146 4.350 0.000 0.000 0.194 361 E C 2.306 178.608 176.600 -0.496 0.000 0.994 361 E CA 1.878 58.120 56.400 -0.263 0.000 0.801 361 E CB -0.317 29.266 29.700 -0.195 0.000 0.743 361 E HN 0.594 nan 8.360 nan 0.000 0.453 362 T N 1.154 115.523 114.554 -0.308 0.000 2.746 362 T HA -0.165 4.185 4.350 0.000 0.000 0.267 362 T C 1.856 176.407 174.700 -0.249 0.000 1.039 362 T CA 1.167 63.092 62.100 -0.291 0.000 1.142 362 T CB -0.138 68.620 68.868 -0.184 0.000 0.866 362 T HN 0.131 nan 8.240 nan 0.000 0.444 363 M N 0.832 120.326 119.600 -0.177 0.000 2.132 363 M HA -0.018 4.462 4.480 0.000 0.000 0.263 363 M C 2.452 178.634 176.300 -0.196 0.000 1.065 363 M CA 1.490 56.709 55.300 -0.135 0.000 1.122 363 M CB -0.263 32.296 32.600 -0.068 0.000 1.365 363 M HN 0.298 nan 8.290 nan 0.000 0.411 364 A N 0.295 122.946 122.820 -0.282 0.000 1.908 364 A HA -0.213 4.107 4.320 0.000 0.000 0.218 364 A C 2.072 179.468 177.584 -0.313 0.000 1.181 364 A CA 1.933 53.674 52.037 -0.493 0.000 0.627 364 A CB -0.644 18.206 19.000 -0.250 0.000 0.818 364 A HN 0.532 nan 8.150 nan 0.000 0.445 365 R N -0.499 119.764 120.500 -0.396 0.000 2.073 365 R HA -0.070 4.270 4.340 0.000 0.000 0.234 365 R C 2.044 178.294 176.300 -0.083 0.000 1.134 365 R CA 1.589 57.500 56.100 -0.315 0.000 0.952 365 R CB -0.360 29.573 30.300 -0.612 0.000 0.850 365 R HN 0.507 nan 8.270 nan 0.000 0.433 366 I N 0.418 120.918 120.570 -0.117 0.000 2.163 366 I HA -0.349 3.821 4.170 0.000 0.000 0.243 366 I C 2.403 178.518 176.117 -0.003 0.000 1.085 366 I CA 1.283 62.551 61.300 -0.053 0.000 1.347 366 I CB -1.302 36.659 38.000 -0.065 0.000 1.044 366 I HN 0.301 nan 8.210 nan 0.000 0.408 367 C N 0.064 119.359 119.300 -0.008 0.000 2.413 367 C HA -0.246 4.214 4.460 0.000 0.000 0.276 367 C C 2.891 177.966 174.990 0.142 0.000 1.248 367 C CA 0.759 59.810 59.018 0.055 0.000 1.742 367 C CB -1.321 26.446 27.740 0.045 0.000 2.017 367 C HN 0.518 nan 8.230 nan 0.000 0.481 368 Y N 1.679 122.025 120.300 0.077 0.000 2.200 368 Y HA -0.149 4.401 4.550 0.000 0.000 0.290 368 Y C 2.499 178.461 175.900 0.103 0.000 1.137 368 Y CA 1.684 59.877 58.100 0.154 0.000 1.163 368 Y CB -0.176 38.422 38.460 0.229 0.000 0.988 368 Y HN 0.255 nan 8.280 nan 0.000 0.518 369 E N 0.205 120.472 120.200 0.112 0.000 2.110 369 E HA -0.176 4.174 4.350 0.000 0.000 0.193 369 E C 2.295 178.869 176.600 -0.043 0.000 0.988 369 E CA 1.096 57.508 56.400 0.020 0.000 0.804 369 E CB -0.555 29.172 29.700 0.045 0.000 0.745 369 E HN 0.583 nan 8.360 nan 0.000 0.458 370 A N 0.915 123.719 122.820 -0.027 0.000 1.970 370 A HA -0.120 4.200 4.320 0.000 0.000 0.216 370 A C 1.954 179.502 177.584 -0.060 0.000 1.170 370 A CA 1.049 53.064 52.037 -0.037 0.000 0.645 370 A CB -0.297 18.692 19.000 -0.018 0.000 0.816 370 A HN 0.152 nan 8.150 nan 0.000 0.447 371 E N -0.824 119.338 120.200 -0.064 0.000 2.268 371 E HA -0.087 4.263 4.350 0.000 0.000 0.195 371 E C 1.722 178.261 176.600 -0.102 0.000 0.995 371 E CA 1.102 57.464 56.400 -0.063 0.000 0.836 371 E CB -0.180 29.525 29.700 0.009 0.000 0.763 371 E HN 0.515 nan 8.360 nan 0.000 0.491 372 T N -0.238 114.218 114.554 -0.163 0.000 2.803 372 T HA -0.154 4.196 4.350 0.000 0.000 0.269 372 T C 1.595 176.251 174.700 -0.073 0.000 1.052 372 T CA 0.945 62.967 62.100 -0.129 0.000 1.136 372 T CB -0.139 68.648 68.868 -0.136 0.000 0.864 372 T HN 0.343 nan 8.240 nan 0.000 0.467 373 C N 1.584 120.836 119.300 -0.081 0.000 2.626 373 C HA 0.356 4.816 4.460 0.000 0.000 0.266 373 C C 0.959 175.882 174.990 -0.111 0.000 1.317 373 C CA -1.016 57.958 59.018 -0.074 0.000 1.716 373 C CB -1.122 26.581 27.740 -0.062 0.000 1.819 373 C HN 0.199 nan 8.230 nan 0.000 0.578 374 V N 2.441 122.247 119.914 -0.179 0.000 2.508 374 V HA 0.129 4.249 4.120 0.000 0.000 0.281 374 V C -0.007 175.888 176.094 -0.330 0.000 1.041 374 V CA 0.550 62.646 62.300 -0.340 0.000 1.016 374 V CB 0.724 32.168 31.823 -0.632 0.000 0.984 374 V HN 0.305 nan 8.190 nan 0.000 0.478 375 D N 3.832 124.089 120.400 -0.238 0.000 2.456 375 D HA 0.218 4.858 4.640 0.000 0.000 0.219 375 D C 0.469 176.710 176.300 -0.098 0.000 1.126 375 D CA -0.171 53.765 54.000 -0.107 0.000 0.890 375 D CB 0.590 41.365 40.800 -0.041 0.000 1.025 375 D HN 0.491 nan 8.370 nan 0.000 0.511 376 Y N 2.809 123.132 120.300 0.038 0.000 2.200 376 Y HA -0.046 4.504 4.550 0.000 0.000 0.290 376 Y C -0.569 175.386 175.900 0.092 0.000 1.137 376 Y CA 1.010 59.146 58.100 0.060 0.000 1.163 376 Y CB -1.294 37.192 38.460 0.044 0.000 0.988 376 Y HN 0.432 nan 8.280 nan 0.000 0.518 377 P HA -0.204 nan 4.420 nan 0.000 0.216 377 P C 1.354 178.763 177.300 0.183 0.000 1.150 377 P CA 2.250 65.456 63.100 0.175 0.000 0.837 377 P CB -0.119 31.649 31.700 0.113 0.000 0.786 378 A N -1.094 121.798 122.820 0.120 0.000 1.930 378 A HA -0.131 4.189 4.320 0.000 0.000 0.217 378 A C 2.044 179.680 177.584 0.087 0.000 1.175 378 A CA 1.223 53.310 52.037 0.084 0.000 0.627 378 A CB -1.496 17.526 19.000 0.036 0.000 0.815 378 A HN 0.074 nan 8.150 nan 0.000 0.443 379 L N -1.826 119.454 121.223 0.096 0.000 2.093 379 L HA -0.094 4.246 4.340 0.000 0.000 0.208 379 L C 2.286 179.256 176.870 0.167 0.000 1.085 379 L CA 1.749 56.644 54.840 0.092 0.000 0.755 379 L CB -1.087 41.012 42.059 0.067 0.000 0.904 379 L HN 0.615 nan 8.230 nan 0.000 0.435 380 Y N 0.397 120.779 120.300 0.138 0.000 2.133 380 Y HA -0.260 4.290 4.550 -0.000 0.000 0.287 380 Y C 2.737 178.739 175.900 0.170 0.000 1.134 380 Y CA 2.728 60.949 58.100 0.201 0.000 1.133 380 Y CB -0.380 38.180 38.460 0.167 0.000 0.987 380 Y HN 0.070 nan 8.280 nan 0.000 0.502 381 R N 0.726 121.316 120.500 0.149 0.000 2.081 381 R HA -0.037 4.303 4.340 0.000 0.000 0.235 381 R C 2.377 178.665 176.300 -0.020 0.000 1.131 381 R CA 1.777 57.901 56.100 0.041 0.000 0.960 381 R CB -1.989 28.379 30.300 0.114 0.000 0.856 381 R HN 0.619 nan 8.270 nan 0.000 0.436 382 A N -0.168 122.655 122.820 0.005 0.000 1.969 382 A HA 0.018 4.339 4.320 0.000 0.000 0.218 382 A C 2.359 179.920 177.584 -0.038 0.000 1.169 382 A CA 1.868 53.898 52.037 -0.012 0.000 0.635 382 A CB -0.298 18.699 19.000 -0.004 0.000 0.810 382 A HN 0.536 nan 8.150 nan 0.000 0.445 383 M N -0.740 118.826 119.600 -0.056 0.000 2.229 383 M HA -0.082 4.398 4.480 0.000 0.000 0.264 383 M C 1.920 178.196 176.300 -0.040 0.000 1.063 383 M CA 1.541 56.781 55.300 -0.099 0.000 1.114 383 M CB -0.657 31.818 32.600 -0.207 0.000 1.387 383 M HN 0.459 nan 8.290 nan 0.000 0.420 384 C N -0.989 118.274 119.300 -0.063 0.000 2.446 384 C HA 0.035 4.495 4.460 0.000 0.000 0.279 384 C C 2.908 177.877 174.990 -0.034 0.000 1.366 384 C CA 1.130 60.110 59.018 -0.063 0.000 1.763 384 C CB -1.749 25.863 27.740 -0.213 0.000 1.929 384 C HN 0.617 nan 8.230 nan 0.000 0.509 385 L N -0.207 120.996 121.223 -0.033 0.000 2.270 385 L HA 0.446 4.786 4.340 0.000 0.000 0.210 385 L C 2.588 179.448 176.870 -0.016 0.000 1.104 385 L CA 1.995 56.824 54.840 -0.018 0.000 0.804 385 L CB -1.635 40.416 42.059 -0.013 0.000 0.937 385 L HN 0.410 nan 8.230 nan 0.000 0.450 386 A N -0.792 122.014 122.820 -0.023 0.000 1.898 386 A HA 0.311 4.631 4.320 0.000 0.000 0.214 386 A C 1.552 179.124 177.584 -0.020 0.000 1.183 386 A CA 1.170 53.192 52.037 -0.025 0.000 0.622 386 A CB -0.391 18.586 19.000 -0.039 0.000 0.824 386 A HN 0.453 nan 8.150 nan 0.000 0.444 392 S N 2.942 118.655 115.700 0.022 0.000 2.573 392 S HA 0.145 4.615 4.470 0.000 0.000 0.277 392 S C 1.522 176.131 174.600 0.014 0.000 1.346 392 S CA 0.651 58.861 58.200 0.016 0.000 1.034 392 S CB 0.781 63.992 63.200 0.019 0.000 0.879 392 S HN 0.694 nan 8.310 nan 0.000 0.528 393 T N 4.034 118.592 114.554 0.007 0.000 2.653 393 T HA -0.204 4.146 4.350 0.000 0.000 0.268 393 T C 1.823 176.524 174.700 0.003 0.000 1.035 393 T CA 2.294 64.395 62.100 0.002 0.000 1.154 393 T CB -0.444 68.423 68.868 -0.003 0.000 0.862 393 T HN 0.707 nan 8.240 nan 0.000 0.441 394 Q N 0.471 120.274 119.800 0.005 0.000 2.084 394 Q HA -0.072 4.268 4.340 0.000 0.000 0.202 394 Q C 2.277 178.294 176.000 0.028 0.000 0.978 394 Q CA 1.470 57.278 55.803 0.008 0.000 0.844 394 Q CB -0.137 28.606 28.738 0.008 0.000 0.898 394 Q HN 0.591 nan 8.270 nan 0.000 0.426 395 E N -0.115 120.111 120.200 0.044 0.000 2.107 395 E HA -0.097 4.253 4.350 0.000 0.000 0.191 395 E C 1.830 178.446 176.600 0.027 0.000 0.982 395 E CA 0.757 57.205 56.400 0.079 0.000 0.809 395 E CB -0.072 29.694 29.700 0.110 0.000 0.756 395 E HN 0.368 nan 8.360 nan 0.000 0.459 396 A N 0.336 123.160 122.820 0.007 0.000 1.865 396 A HA -0.180 4.140 4.320 0.000 0.000 0.217 396 A C 2.390 179.957 177.584 -0.029 0.000 1.191 396 A CA 1.673 53.699 52.037 -0.018 0.000 0.623 396 A CB -0.841 18.155 19.000 -0.006 0.000 0.826 396 A HN 0.215 nan 8.150 nan 0.000 0.444 397 V N -0.148 119.759 119.914 -0.013 0.000 2.343 397 V HA -0.242 3.878 4.120 0.000 0.000 0.247 397 V C 3.047 179.132 176.094 -0.015 0.000 1.051 397 V CA 1.928 64.221 62.300 -0.011 0.000 1.036 397 V CB -1.295 30.525 31.823 -0.004 0.000 0.654 397 V HN 0.633 nan 8.190 nan 0.000 0.451 398 A N -0.134 122.683 122.820 -0.005 0.000 1.902 398 A HA -0.266 4.054 4.320 0.000 0.000 0.217 398 A C 2.360 179.896 177.584 -0.080 0.000 1.181 398 A CA 2.147 54.190 52.037 0.009 0.000 0.623 398 A CB -0.525 18.528 19.000 0.089 0.000 0.818 398 A HN 0.476 nan 8.150 nan 0.000 0.443 399 R N -0.532 119.840 120.500 -0.214 0.000 2.070 399 R HA -0.087 4.253 4.340 0.000 0.000 0.233 399 R C 2.394 178.648 176.300 -0.078 0.000 1.137 399 R CA 1.588 57.494 56.100 -0.322 0.000 0.945 399 R CB -0.473 29.629 30.300 -0.330 0.000 0.845 399 R HN 0.463 nan 8.270 nan 0.000 0.430 400 A N 0.277 123.063 122.820 -0.056 0.000 1.933 400 A HA -0.128 4.192 4.320 0.000 0.000 0.218 400 A C 2.282 179.836 177.584 -0.050 0.000 1.175 400 A CA 1.749 53.765 52.037 -0.035 0.000 0.628 400 A CB -0.807 18.179 19.000 -0.023 0.000 0.814 400 A HN 0.512 nan 8.150 nan 0.000 0.444 401 A N -0.510 122.284 122.820 -0.042 0.000 1.877 401 A HA -0.004 4.316 4.320 0.000 0.000 0.216 401 A C 2.231 179.779 177.584 -0.060 0.000 1.186 401 A CA 1.811 53.827 52.037 -0.035 0.000 0.620 401 A CB -0.951 18.044 19.000 -0.008 0.000 0.822 401 A HN 0.401 nan 8.150 nan 0.000 0.443 402 V N -0.039 119.832 119.914 -0.072 0.000 2.295 402 V HA -0.259 3.861 4.120 0.000 0.000 0.246 402 V C 2.482 178.408 176.094 -0.281 0.000 1.049 402 V CA 2.249 64.475 62.300 -0.123 0.000 1.024 402 V CB -0.798 31.008 31.823 -0.029 0.000 0.648 402 V HN 0.613 nan 8.190 nan 0.000 0.447 403 E N 0.005 119.989 120.200 -0.360 0.000 2.051 403 E HA -0.196 4.155 4.350 0.000 0.000 0.192 403 E C 2.344 178.832 176.600 -0.187 0.000 0.991 403 E CA 1.901 58.082 56.400 -0.365 0.000 0.799 403 E CB -0.220 29.328 29.700 -0.254 0.000 0.748 403 E HN 0.613 nan 8.360 nan 0.000 0.449 404 T N 0.963 115.445 114.554 -0.120 0.000 2.720 404 T HA -0.204 4.146 4.350 0.000 0.000 0.268 404 T C 1.924 176.578 174.700 -0.077 0.000 1.037 404 T CA 1.340 63.394 62.100 -0.077 0.000 1.144 404 T CB -0.277 68.560 68.868 -0.052 0.000 0.864 404 T HN 0.254 nan 8.240 nan 0.000 0.444 405 A N 1.348 124.117 122.820 -0.086 0.000 1.908 405 A HA -0.068 4.252 4.320 0.000 0.000 0.218 405 A C 2.484 180.017 177.584 -0.084 0.000 1.181 405 A CA 2.289 54.281 52.037 -0.075 0.000 0.627 405 A CB -1.158 17.799 19.000 -0.072 0.000 0.818 405 A HN 0.629 nan 8.150 nan 0.000 0.445 406 E N -1.256 118.875 120.200 -0.115 0.000 2.152 406 E HA -0.167 4.184 4.350 0.000 0.000 0.192 406 E C 2.027 178.579 176.600 -0.079 0.000 0.983 406 E CA 1.275 57.612 56.400 -0.106 0.000 0.818 406 E CB -1.420 28.192 29.700 -0.146 0.000 0.758 406 E HN 0.687 nan 8.360 nan 0.000 0.467 407 C N 0.050 119.302 119.300 -0.081 0.000 2.436 407 C HA 0.125 4.586 4.460 0.000 0.000 0.277 407 C C 1.862 176.827 174.990 -0.041 0.000 1.241 407 C CA 0.756 59.740 59.018 -0.056 0.000 1.721 407 C CB -0.626 27.081 27.740 -0.054 0.000 2.043 407 C HN 0.667 nan 8.230 nan 0.000 0.472 408 V N 0.194 120.083 119.914 -0.041 0.000 3.441 408 V HA 0.357 4.477 4.120 0.000 0.000 0.300 408 V C 0.330 176.403 176.094 -0.035 0.000 1.062 408 V CA -0.348 61.933 62.300 -0.032 0.000 1.064 408 V CB 0.282 32.088 31.823 -0.029 0.000 1.197 408 V HN 0.348 nan 8.190 nan 0.000 0.451 409 N N 1.466 120.149 118.700 -0.029 0.000 3.324 409 N HA 0.425 5.165 4.740 0.000 0.000 0.302 409 N C 0.017 175.508 175.510 -0.031 0.000 1.360 409 N CA 0.242 53.274 53.050 -0.029 0.000 1.190 409 N CB -0.502 37.972 38.487 -0.022 0.000 1.462 409 N HN 1.102 nan 8.380 nan 0.000 0.532 410 A N 0.388 123.185 122.820 -0.037 0.000 2.511 410 A HA 0.466 4.786 4.320 0.000 0.000 0.242 410 A C 1.297 178.859 177.584 -0.037 0.000 1.069 410 A CA 0.270 52.286 52.037 -0.035 0.000 0.763 410 A CB 0.324 19.301 19.000 -0.039 0.000 1.001 410 A HN 0.535 nan 8.150 nan 0.000 0.498 411 A N 2.747 125.549 122.820 -0.030 0.000 1.878 411 A HA 0.399 4.719 4.320 0.000 0.000 0.213 411 A C 0.904 178.469 177.584 -0.031 0.000 1.192 411 A CA 1.458 53.478 52.037 -0.029 0.000 0.619 411 A CB -0.396 18.590 19.000 -0.022 0.000 0.837 411 A HN 1.338 nan 8.150 nan 0.000 0.446 412 I N -4.109 116.445 120.570 -0.026 0.000 3.074 412 I HA 0.633 4.803 4.170 0.000 0.000 0.310 412 I C -1.320 174.786 176.117 -0.018 0.000 1.153 412 I CA -1.180 60.106 61.300 -0.023 0.000 0.993 412 I CB 2.165 40.155 38.000 -0.016 0.000 1.237 412 I HN -0.055 nan 8.210 nan 0.000 0.443 413 I N 3.828 124.391 120.570 -0.012 0.000 2.362 413 I HA 0.331 4.502 4.170 0.000 0.000 0.289 413 I C -0.904 175.218 176.117 0.009 0.000 0.994 413 I CA -0.702 60.597 61.300 -0.002 0.000 1.158 413 I CB 1.702 39.704 38.000 0.003 0.000 1.315 413 I HN 0.338 nan 8.210 nan 0.000 0.451 414 L N 6.397 127.627 121.223 0.011 0.000 2.290 414 L HA 0.497 4.837 4.340 0.000 0.000 0.284 414 L C 0.343 177.233 176.870 0.033 0.000 1.078 414 L CA 0.102 54.954 54.840 0.019 0.000 0.815 414 L CB 1.228 43.295 42.059 0.014 0.000 1.162 414 L HN 0.666 nan 8.230 nan 0.000 0.435 415 A N 5.202 128.046 122.820 0.040 0.000 2.328 415 A HA 0.640 4.960 4.320 0.000 0.000 0.318 415 A C -0.794 176.827 177.584 0.062 0.000 1.347 415 A CA -0.534 51.535 52.037 0.053 0.000 0.842 415 A CB -0.001 19.031 19.000 0.053 0.000 1.148 415 A HN 0.490 nan 8.150 nan 0.000 0.499 416 L N 2.118 123.394 121.223 0.088 0.000 2.315 416 L HA 0.571 4.911 4.340 0.000 0.000 0.283 416 L C 0.698 177.645 176.870 0.128 0.000 1.089 416 L CA 0.839 55.749 54.840 0.117 0.000 0.833 416 L CB 1.220 43.377 42.059 0.163 0.000 1.170 416 L HN 0.665 nan 8.230 nan 0.000 0.442 417 T N 1.605 116.215 114.554 0.093 0.000 2.982 417 T HA 0.293 4.643 4.350 0.000 0.000 0.321 417 T C 0.383 175.119 174.700 0.059 0.000 1.229 417 T CA -0.429 61.712 62.100 0.068 0.000 1.044 417 T CB 1.358 70.258 68.868 0.054 0.000 1.184 417 T HN 0.635 nan 8.240 nan 0.000 0.477 418 E N 1.186 121.416 120.200 0.049 0.000 2.162 418 E HA 0.033 4.383 4.350 0.000 0.000 0.193 418 E C 1.948 178.573 176.600 0.042 0.000 0.953 418 E CA 1.350 57.775 56.400 0.041 0.000 0.849 418 E CB 0.300 30.022 29.700 0.036 0.000 0.810 418 E HN 0.826 nan 8.360 nan 0.000 0.470 419 T N -3.464 111.115 114.554 0.042 0.000 3.037 419 T HA 0.245 4.595 4.350 0.000 0.000 0.251 419 T C 1.472 176.215 174.700 0.071 0.000 1.079 419 T CA 1.026 63.157 62.100 0.052 0.000 1.067 419 T CB 0.687 69.575 68.868 0.033 0.000 0.948 419 T HN 0.207 nan 8.240 nan 0.000 0.496 420 G N 1.151 109.989 108.800 0.064 0.000 2.195 420 G HA2 -0.356 3.604 3.960 0.000 0.000 0.246 420 G HA3 -0.356 3.604 3.960 0.000 0.000 0.246 420 G C 0.781 175.718 174.900 0.062 0.000 0.984 420 G CA 0.724 45.869 45.100 0.075 0.000 0.633 420 G HN 0.670 nan 8.290 nan 0.000 0.525 421 Q N 0.168 119.996 119.800 0.046 0.000 2.050 421 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 421 Q C 2.526 178.553 176.000 0.045 0.000 0.980 421 Q CA 2.498 58.325 55.803 0.039 0.000 0.840 421 Q CB -0.423 28.330 28.738 0.024 0.000 0.898 421 Q HN 0.504 nan 8.270 nan 0.000 0.424 422 T N 0.862 115.439 114.554 0.037 0.000 2.635 422 T HA -0.218 4.132 4.350 0.000 0.000 0.267 422 T C 1.819 176.556 174.700 0.061 0.000 1.040 422 T CA 1.602 63.727 62.100 0.041 0.000 1.156 422 T CB -0.577 68.307 68.868 0.027 0.000 0.863 422 T HN 0.526 nan 8.240 nan 0.000 0.430 423 A N 1.401 124.258 122.820 0.062 0.000 1.940 423 A HA -0.135 4.185 4.320 0.000 0.000 0.219 423 A C 2.382 180.013 177.584 0.078 0.000 1.176 423 A CA 1.578 53.656 52.037 0.069 0.000 0.631 423 A CB -0.484 18.556 19.000 0.067 0.000 0.814 423 A HN 0.423 nan 8.150 nan 0.000 0.446 424 R N -1.481 119.064 120.500 0.074 0.000 2.090 424 R HA 0.022 4.362 4.340 0.000 0.000 0.228 424 R C 1.866 178.214 176.300 0.079 0.000 1.110 424 R CA 0.873 57.015 56.100 0.071 0.000 0.973 424 R CB -0.317 30.018 30.300 0.058 0.000 0.869 424 R HN 0.386 nan 8.270 nan 0.000 0.440 425 L N 0.743 122.023 121.223 0.095 0.000 2.093 425 L HA -0.084 4.257 4.340 0.000 0.000 0.208 425 L C 1.969 178.983 176.870 0.240 0.000 1.085 425 L CA 1.548 56.474 54.840 0.143 0.000 0.755 425 L CB -0.368 41.768 42.059 0.128 0.000 0.904 425 L HN 0.143 nan 8.230 nan 0.000 0.435 426 I N -1.125 119.557 120.570 0.188 0.000 2.202 426 I HA -0.251 3.919 4.170 0.000 0.000 0.242 426 I C 2.532 178.776 176.117 0.212 0.000 1.091 426 I CA 1.086 62.511 61.300 0.208 0.000 1.368 426 I CB -0.532 37.541 38.000 0.122 0.000 1.058 426 I HN 0.192 nan 8.210 nan 0.000 0.410 427 A N 0.831 123.735 122.820 0.140 0.000 1.940 427 A HA -0.278 4.042 4.320 0.000 0.000 0.219 427 A C 2.379 180.022 177.584 0.098 0.000 1.176 427 A CA 1.957 54.062 52.037 0.114 0.000 0.631 427 A CB -0.611 18.439 19.000 0.085 0.000 0.814 427 A HN 0.384 nan 8.150 nan 0.000 0.446 428 K N -1.433 118.998 120.400 0.052 0.000 2.113 428 K HA -0.213 4.107 4.320 0.000 0.000 0.208 428 K C 1.173 177.670 176.600 -0.173 0.000 1.047 428 K CA 1.907 58.139 56.287 -0.092 0.000 0.928 428 K CB -0.332 32.058 32.500 -0.183 0.000 0.716 428 K HN 0.572 nan 8.250 nan 0.000 0.446 429 Y N 1.011 121.376 120.300 0.107 0.000 2.502 429 Y HA 0.165 4.716 4.550 0.001 0.000 0.295 429 Y C -0.102 175.924 175.900 0.211 0.000 1.193 429 Y CA -0.038 58.162 58.100 0.167 0.000 1.295 429 Y CB 0.258 38.870 38.460 0.254 0.000 1.059 429 Y HN -0.030 nan 8.280 nan 0.000 0.514 430 R N 0.112 120.762 120.500 0.251 0.000 3.022 430 R HA -0.167 4.173 4.340 0.000 0.000 0.248 430 R C -2.917 173.581 176.300 0.329 0.000 0.874 430 R CA 0.229 56.491 56.100 0.270 0.000 0.626 430 R CB -1.861 28.586 30.300 0.245 0.000 1.255 430 R HN 0.281 nan 8.270 nan 0.000 0.496 431 P HA -0.004 nan 4.420 nan 0.000 0.274 431 P C 0.852 178.034 177.300 -0.196 0.000 1.231 431 P CA -0.335 62.798 63.100 0.054 0.000 0.790 431 P CB 0.555 32.269 31.700 0.023 0.000 0.951 432 M N 0.743 120.100 119.600 -0.404 0.000 2.374 432 M HA -0.106 4.374 4.480 0.000 0.000 0.264 432 M C 0.282 176.344 176.300 -0.396 0.000 1.067 432 M CA 1.498 56.328 55.300 -0.783 0.000 1.103 432 M CB -0.269 31.997 32.600 -0.555 0.000 1.402 432 M HN 0.257 nan 8.290 nan 0.000 0.444 433 Q N 1.812 121.484 119.800 -0.213 0.000 2.327 433 Q HA 0.325 4.665 4.340 0.000 0.000 0.254 433 Q C -2.314 173.636 176.000 -0.084 0.000 0.952 433 Q CA -1.710 54.021 55.803 -0.121 0.000 0.884 433 Q CB 0.102 28.792 28.738 -0.079 0.000 1.224 433 Q HN 0.146 nan 8.270 nan 0.000 0.422 434 P HA -0.012 nan 4.420 nan 0.000 0.266 434 P C -0.844 176.448 177.300 -0.012 0.000 1.195 434 P CA 0.379 63.463 63.100 -0.026 0.000 0.768 434 P CB 0.456 32.144 31.700 -0.020 0.000 0.838 435 I N 3.183 123.756 120.570 0.004 0.000 2.330 435 I HA 0.227 4.397 4.170 0.000 0.000 0.289 435 I C -0.112 176.015 176.117 0.017 0.000 1.001 435 I CA -0.796 60.514 61.300 0.017 0.000 1.193 435 I CB 1.066 39.088 38.000 0.036 0.000 1.345 435 I HN 0.131 nan 8.210 nan 0.000 0.461 436 L N 7.307 128.538 121.223 0.014 0.000 2.255 436 L HA 0.635 4.975 4.340 0.000 0.000 0.289 436 L C 0.170 177.054 176.870 0.023 0.000 1.046 436 L CA -0.191 54.657 54.840 0.014 0.000 0.816 436 L CB 0.880 42.943 42.059 0.007 0.000 1.197 436 L HN 0.672 nan 8.230 nan 0.000 0.427 437 A N 5.777 128.614 122.820 0.029 0.000 2.276 437 A HA 0.628 4.948 4.320 0.000 0.000 0.300 437 A C -0.976 176.627 177.584 0.030 0.000 1.235 437 A CA -0.467 51.592 52.037 0.036 0.000 0.867 437 A CB 0.144 19.171 19.000 0.045 0.000 1.137 437 A HN 0.553 nan 8.150 nan 0.000 0.527 438 L N 2.216 123.459 121.223 0.033 0.000 2.287 438 L HA 0.675 5.015 4.340 0.000 0.000 0.287 438 L C 0.378 177.267 176.870 0.032 0.000 1.022 438 L CA 0.276 55.132 54.840 0.026 0.000 0.814 438 L CB 1.183 43.255 42.059 0.022 0.000 1.217 438 L HN 0.671 nan 8.230 nan 0.000 0.420 439 S N 1.119 116.833 115.700 0.023 0.000 2.536 439 S HA 0.721 5.191 4.470 0.000 0.000 0.271 439 S C 0.497 175.102 174.600 0.009 0.000 1.134 439 S CA 0.097 58.310 58.200 0.022 0.000 0.897 439 S CB 1.708 64.923 63.200 0.024 0.000 1.094 439 S HN 0.661 nan 8.310 nan 0.000 0.473 440 A N 2.316 125.141 122.820 0.009 0.000 2.132 440 A HA 0.321 4.641 4.320 0.000 0.000 0.213 440 A C 1.097 178.674 177.584 -0.010 0.000 1.154 440 A CA 0.446 52.482 52.037 -0.002 0.000 0.753 440 A CB -0.212 18.788 19.000 0.001 0.000 0.826 440 A HN 0.711 nan 8.150 nan 0.000 0.469 441 S N 0.250 115.946 115.700 -0.008 0.000 2.422 441 S HA 0.231 4.701 4.470 0.000 0.000 0.283 441 S C 1.140 175.715 174.600 -0.042 0.000 1.163 441 S CA 0.407 58.594 58.200 -0.021 0.000 1.054 441 S CB 0.576 63.772 63.200 -0.006 0.000 0.967 441 S HN 0.450 nan 8.310 nan 0.000 0.499 442 E N 3.623 123.788 120.200 -0.058 0.000 2.097 442 E HA -0.152 4.198 4.350 0.000 0.000 0.196 442 E C 2.101 178.628 176.600 -0.122 0.000 1.000 442 E CA 2.037 58.393 56.400 -0.074 0.000 0.804 442 E CB -0.694 28.961 29.700 -0.075 0.000 0.740 442 E HN 0.964 nan 8.360 nan 0.000 0.454 443 S N -1.406 114.193 115.700 -0.167 0.000 2.436 443 S HA -0.060 4.410 4.470 0.000 0.000 0.228 443 S C 2.228 176.506 174.600 -0.537 0.000 1.014 443 S CA 1.263 59.251 58.200 -0.353 0.000 0.950 443 S CB -0.436 62.591 63.200 -0.288 0.000 0.784 443 S HN 0.438 nan 8.310 nan 0.000 0.504 444 T N 2.873 117.308 114.554 -0.197 0.000 2.777 444 T HA 0.140 4.490 4.350 0.000 0.000 0.266 444 T C 1.647 176.339 174.700 -0.014 0.000 1.040 444 T CA 1.395 63.481 62.100 -0.022 0.000 1.141 444 T CB -0.480 68.415 68.868 0.044 0.000 0.868 444 T HN 0.371 nan 8.240 nan 0.000 0.444 445 I N 0.711 121.258 120.570 -0.038 0.000 2.151 445 I HA -0.229 3.941 4.170 0.000 0.000 0.243 445 I C 2.511 178.627 176.117 -0.002 0.000 1.080 445 I CA 1.514 62.809 61.300 -0.009 0.000 1.339 445 I CB -0.209 37.781 38.000 -0.017 0.000 1.039 445 I HN 0.176 nan 8.210 nan 0.000 0.409 446 K N -0.517 119.839 120.400 -0.074 0.000 2.103 446 K HA -0.137 4.183 4.320 0.000 0.000 0.204 446 K C 2.039 178.680 176.600 0.068 0.000 1.052 446 K CA 1.276 57.540 56.287 -0.039 0.000 0.945 446 K CB -0.279 32.153 32.500 -0.115 0.000 0.722 446 K HN 0.471 nan 8.250 nan 0.000 0.443 447 H N 0.456 119.539 119.070 0.022 0.000 2.387 447 H HA -0.093 4.463 4.556 0.000 0.000 0.299 447 H C 1.823 177.314 175.328 0.272 0.000 1.099 447 H CA 0.948 57.061 56.048 0.108 0.000 1.315 447 H CB -0.007 29.750 29.762 -0.008 0.000 1.380 447 H HN 0.040 nan 8.280 nan 0.000 0.513 448 L N 0.912 122.295 121.223 0.265 0.000 2.551 448 L HA -0.140 4.200 4.340 0.000 0.000 0.228 448 L C 1.687 178.655 176.870 0.164 0.000 1.153 448 L CA 0.223 55.175 54.840 0.188 0.000 0.851 448 L CB -0.069 42.063 42.059 0.122 0.000 0.959 448 L HN 0.333 nan 8.230 nan 0.000 0.451 449 Q N -0.678 119.238 119.800 0.194 0.000 2.500 449 Q HA -0.061 4.279 4.340 0.000 0.000 0.213 449 Q C 1.909 177.978 176.000 0.116 0.000 0.974 449 Q CA 0.832 56.724 55.803 0.147 0.000 0.918 449 Q CB -0.006 28.831 28.738 0.164 0.000 0.980 449 Q HN 0.341 nan 8.270 nan 0.000 0.505 450 V N 0.348 120.339 119.914 0.128 0.000 3.621 450 V HA 0.070 4.190 4.120 0.000 0.000 0.285 450 V C 0.192 176.311 176.094 0.041 0.000 1.346 450 V CA 0.172 62.485 62.300 0.021 0.000 1.104 450 V CB 0.429 32.173 31.823 -0.131 0.000 0.913 450 V HN 0.094 nan 8.190 nan 0.000 0.432 451 I N 1.530 122.146 120.570 0.077 0.000 2.312 451 I HA 0.359 4.529 4.170 0.000 0.000 0.290 451 I C 0.608 176.764 176.117 0.064 0.000 1.008 451 I CA -0.246 61.096 61.300 0.070 0.000 1.226 451 I CB 1.016 39.068 38.000 0.085 0.000 1.371 451 I HN 0.151 nan 8.210 nan 0.000 0.468 452 R N 4.164 124.701 120.500 0.061 0.000 2.522 452 R HA 0.225 4.565 4.340 0.000 0.000 0.284 452 R C 1.049 177.395 176.300 0.076 0.000 1.032 452 R CA 1.241 57.383 56.100 0.071 0.000 1.049 452 R CB 0.334 30.680 30.300 0.076 0.000 0.956 452 R HN 0.983 nan 8.270 nan 0.000 0.422 453 G N 2.426 111.267 108.800 0.069 0.000 2.176 453 G HA2 -0.252 3.708 3.960 0.000 0.000 0.253 453 G HA3 -0.252 3.708 3.960 0.000 0.000 0.253 453 G C -0.207 174.719 174.900 0.043 0.000 0.979 453 G CA 0.135 45.273 45.100 0.063 0.000 0.641 453 G HN 0.516 nan 8.290 nan 0.000 0.530 454 V N 2.133 122.073 119.914 0.044 0.000 2.394 454 V HA 0.713 4.833 4.120 0.000 0.000 0.282 454 V C 0.741 176.852 176.094 0.027 0.000 1.031 454 V CA 0.234 62.559 62.300 0.041 0.000 0.881 454 V CB 1.528 33.385 31.823 0.056 0.000 0.982 454 V HN 0.695 nan 8.190 nan 0.000 0.451 455 T N 0.774 115.339 114.554 0.018 0.000 2.918 455 T HA 0.610 4.961 4.350 0.000 0.000 0.286 455 T C -0.267 174.445 174.700 0.019 0.000 1.026 455 T CA -0.645 61.462 62.100 0.012 0.000 1.031 455 T CB 1.865 70.731 68.868 -0.003 0.000 1.046 455 T HN 0.563 nan 8.240 nan 0.000 0.479 456 T N 1.931 116.497 114.554 0.020 0.000 2.918 456 T HA 0.697 5.047 4.350 0.000 0.000 0.286 456 T C -1.035 173.672 174.700 0.013 0.000 1.026 456 T CA -0.914 61.199 62.100 0.022 0.000 1.031 456 T CB 0.980 69.865 68.868 0.029 0.000 1.046 456 T HN 0.801 nan 8.240 nan 0.000 0.479 457 M N 3.158 122.765 119.600 0.012 0.000 2.238 457 M HA 0.522 5.003 4.480 0.000 0.000 0.278 457 M C -0.515 175.787 176.300 0.004 0.000 1.040 457 M CA -0.588 54.715 55.300 0.005 0.000 0.969 457 M CB 1.470 34.071 32.600 0.003 0.000 1.694 457 M HN 0.698 nan 8.290 nan 0.000 0.472 458 Q N 2.764 122.563 119.800 -0.001 0.000 2.296 458 Q HA 0.668 5.008 4.340 0.000 0.000 0.262 458 Q C -0.998 174.999 176.000 -0.005 0.000 0.981 458 Q CA 0.313 56.113 55.803 -0.004 0.000 0.905 458 Q CB 0.552 29.285 28.738 -0.009 0.000 1.186 458 Q HN 0.993 nan 8.270 nan 0.000 0.399 459 V N 1.953 121.864 119.914 -0.005 0.000 2.962 459 V HA 0.898 5.018 4.120 0.000 0.000 0.313 459 V C -2.546 173.544 176.094 -0.008 0.000 1.099 459 V CA -2.372 59.925 62.300 -0.006 0.000 0.971 459 V CB 2.244 34.064 31.823 -0.004 0.000 1.028 459 V HN 0.797 nan 8.190 nan 0.000 0.430 464 G N -0.303 108.473 108.800 -0.040 0.000 2.588 464 G HA2 0.670 4.630 3.960 0.000 0.000 0.281 464 G HA3 0.670 4.630 3.960 0.000 0.000 0.281 464 G C 1.291 176.136 174.900 -0.091 0.000 1.236 464 G CA 0.745 45.810 45.100 -0.058 0.000 0.969 464 G HN 1.820 nan 8.290 nan 0.000 0.504 465 T N -1.334 113.134 114.554 -0.143 0.000 2.995 465 T HA 0.024 4.374 4.350 0.000 0.000 0.269 465 T C 1.668 176.288 174.700 -0.134 0.000 1.091 465 T CA 1.875 63.843 62.100 -0.221 0.000 1.128 465 T CB -0.102 68.534 68.868 -0.386 0.000 0.891 465 T HN 0.336 nan 8.240 nan 0.000 0.492 466 D N -0.261 120.085 120.400 -0.089 0.000 2.259 466 D HA 0.119 4.759 4.640 0.000 0.000 0.216 466 D C 2.310 178.583 176.300 -0.044 0.000 0.961 466 D CA 1.308 55.273 54.000 -0.058 0.000 0.878 466 D CB -0.591 40.182 40.800 -0.045 0.000 1.009 466 D HN 0.697 nan 8.370 nan 0.000 0.490 467 H N 0.655 119.700 119.070 -0.043 0.000 2.421 467 H HA 0.124 4.680 4.556 0.000 0.000 0.298 467 H C 2.299 177.609 175.328 -0.031 0.000 1.087 467 H CA 1.934 57.963 56.048 -0.032 0.000 1.330 467 H CB -0.943 28.802 29.762 -0.029 0.000 1.388 467 H HN 0.176 nan 8.280 nan 0.000 0.526 468 V N 1.176 121.067 119.914 -0.039 0.000 2.358 468 V HA 0.034 4.154 4.120 0.000 0.000 0.246 468 V C 3.101 179.179 176.094 -0.027 0.000 1.047 468 V CA 3.235 65.515 62.300 -0.033 0.000 1.035 468 V CB -1.432 30.368 31.823 -0.039 0.000 0.658 468 V HN 0.858 nan 8.190 nan 0.000 0.452 469 I N 0.373 120.924 120.570 -0.032 0.000 2.394 469 I HA -0.013 4.157 4.170 0.000 0.000 0.251 469 I C 2.851 178.956 176.117 -0.019 0.000 1.136 469 I CA 3.170 64.456 61.300 -0.023 0.000 1.425 469 I CB -1.793 36.192 38.000 -0.025 0.000 1.079 469 I HN 0.714 nan 8.210 nan 0.000 0.425 470 R N 0.894 121.381 120.500 -0.021 0.000 2.082 470 R HA -0.196 4.144 4.340 0.000 0.000 0.228 470 R C 2.432 178.723 176.300 -0.015 0.000 1.140 470 R CA 2.677 58.766 56.100 -0.018 0.000 0.920 470 R CB -2.383 nan 30.300 nan 0.000 0.828 470 R HN 1.081 nan 8.270 nan 0.000 0.430 471 N N 0.796 119.487 118.700 -0.015 0.000 2.272 471 N HA 0.112 4.852 4.740 0.000 0.000 0.185 471 N C 2.348 177.851 175.510 -0.012 0.000 1.014 471 N CA 2.089 55.131 53.050 -0.013 0.000 0.870 471 N CB -0.536 37.943 38.487 -0.013 0.000 0.975 471 N HN 0.908 nan 8.380 nan 0.000 0.433 472 A N 0.368 123.181 122.820 -0.012 0.000 1.968 472 A HA 0.323 4.643 4.320 0.000 0.000 0.217 472 A C 2.722 180.300 177.584 -0.010 0.000 1.169 472 A CA 1.897 53.928 52.037 -0.009 0.000 0.638 472 A CB -0.785 18.210 19.000 -0.007 0.000 0.812 472 A HN 1.067 nan 8.150 nan 0.000 0.446 473 I N -0.575 119.989 120.570 -0.011 0.000 2.315 473 I HA 0.169 4.339 4.170 0.000 0.000 0.248 473 I C 2.678 178.788 176.117 -0.011 0.000 1.117 473 I CA 2.118 63.411 61.300 -0.011 0.000 1.404 473 I CB -1.724 36.269 38.000 -0.012 0.000 1.071 473 I HN 0.436 nan 8.210 nan 0.000 0.419 474 V N -0.581 119.326 119.914 -0.012 0.000 2.548 474 V HA -0.096 4.024 4.120 0.000 0.000 0.249 474 V C 2.589 178.676 176.094 -0.012 0.000 1.055 474 V CA 2.562 64.855 62.300 -0.012 0.000 1.065 474 V CB -0.668 31.148 31.823 -0.011 0.000 0.681 474 V HN 0.423 nan 8.190 nan 0.000 0.462 475 V N 0.257 120.164 119.914 -0.012 0.000 2.871 475 V HA -0.002 4.118 4.120 0.000 0.000 0.256 475 V C 2.816 178.902 176.094 -0.013 0.000 1.082 475 V CA 1.550 63.843 62.300 -0.012 0.000 1.105 475 V CB -0.051 31.766 31.823 -0.011 0.000 0.713 475 V HN 0.714 nan 8.190 nan 0.000 0.473 476 A N 0.354 123.167 122.820 -0.012 0.000 1.970 476 A HA -0.059 4.261 4.320 0.000 0.000 0.216 476 A C 2.419 179.994 177.584 -0.015 0.000 1.170 476 A CA 1.730 53.759 52.037 -0.013 0.000 0.645 476 A CB -0.451 18.541 19.000 -0.012 0.000 0.816 476 A HN 0.489 nan 8.150 nan 0.000 0.447 477 K N -0.662 119.730 120.400 -0.014 0.000 2.097 477 K HA 0.033 4.353 4.320 0.000 0.000 0.205 477 K C 1.701 178.292 176.600 -0.015 0.000 1.050 477 K CA 1.933 58.212 56.287 -0.014 0.000 0.938 477 K CB -1.492 31.001 32.500 -0.012 0.000 0.718 477 K HN 0.785 nan 8.250 nan 0.000 0.442 478 E N 1.303 121.494 120.200 -0.015 0.000 2.365 478 E HA 0.189 4.539 4.350 0.000 0.000 0.188 478 E C 0.733 177.322 176.600 -0.018 0.000 1.102 478 E CA -0.171 56.220 56.400 -0.016 0.000 0.927 478 E CB -0.541 29.151 29.700 -0.014 0.000 1.073 478 E HN 0.675 nan 8.360 nan 0.000 0.467 482 V N -2.584 117.320 119.914 -0.015 0.000 2.531 482 V HA 0.918 5.038 4.120 0.000 0.000 0.301 482 V C 0.157 176.243 176.094 -0.013 0.000 1.034 482 V CA 0.188 62.480 62.300 -0.014 0.000 0.865 482 V CB 0.885 32.700 31.823 -0.014 0.000 0.995 482 V HN 0.163 nan 8.190 nan 0.000 0.424 483 T N 1.871 116.418 114.554 -0.013 0.000 2.824 483 T HA 0.711 5.061 4.350 0.000 0.000 0.277 483 T C 0.476 175.169 174.700 -0.011 0.000 0.975 483 T CA 0.123 62.216 62.100 -0.011 0.000 0.966 483 T CB 0.421 69.283 68.868 -0.010 0.000 1.054 483 T HN 1.662 nan 8.240 nan 0.000 0.533 484 E N 0.088 120.282 120.200 -0.010 0.000 2.292 484 E HA 0.457 4.807 4.350 0.000 0.000 0.265 484 E C 1.121 177.716 176.600 -0.009 0.000 1.093 484 E CA -0.028 56.366 56.400 -0.009 0.000 0.922 484 E CB -1.043 28.652 29.700 -0.009 0.000 1.001 484 E HN 2.300 nan 8.360 nan 0.000 0.444 485 G N 2.386 111.180 108.800 -0.010 0.000 2.138 485 G HA2 -0.179 3.781 3.960 0.000 0.000 0.193 485 G HA3 -0.179 3.781 3.960 0.000 0.000 0.193 485 G C 0.108 175.002 174.900 -0.011 0.000 0.998 485 G CA 0.104 45.198 45.100 -0.010 0.000 0.668 485 G HN 0.641 nan 8.290 nan 0.000 0.516 486 E N 0.498 120.691 120.200 -0.012 0.000 2.283 486 E HA 0.564 4.914 4.350 0.000 0.000 0.267 486 E C 0.145 176.737 176.600 -0.014 0.000 1.045 486 E CA -0.377 56.015 56.400 -0.013 0.000 0.884 486 E CB 1.020 30.711 29.700 -0.014 0.000 1.106 486 E HN 0.189 nan 8.360 nan 0.000 0.408 487 S N 0.778 116.469 115.700 -0.016 0.000 2.565 487 S HA 0.304 4.774 4.470 0.000 0.000 0.276 487 S C -0.247 174.342 174.600 -0.018 0.000 1.326 487 S CA -0.526 57.664 58.200 -0.017 0.000 1.045 487 S CB 0.595 63.783 63.200 -0.020 0.000 0.918 487 S HN 0.247 nan 8.310 nan 0.000 0.505 488 I N 2.616 123.176 120.570 -0.016 0.000 2.499 488 I HA 0.345 4.515 4.170 0.000 0.000 0.288 488 I C -0.479 175.630 176.117 -0.013 0.000 1.048 488 I CA -0.799 60.492 61.300 -0.015 0.000 1.062 488 I CB 1.538 39.531 38.000 -0.012 0.000 1.238 488 I HN 0.550 nan 8.210 nan 0.000 0.426 489 V N 4.692 124.598 119.914 -0.013 0.000 2.383 489 V HA 0.786 4.906 4.120 0.000 0.000 0.275 489 V C 0.595 176.689 176.094 0.001 0.000 1.036 489 V CA -0.345 61.949 62.300 -0.009 0.000 0.889 489 V CB 1.338 33.151 31.823 -0.016 0.000 0.985 489 V HN 0.988 nan 8.190 nan 0.000 0.459 490 A N 5.272 128.096 122.820 0.008 0.000 2.318 490 A HA 0.880 5.200 4.320 0.000 0.000 0.324 490 A C -0.753 176.853 177.584 0.037 0.000 1.170 490 A CA -0.522 51.527 52.037 0.020 0.000 0.810 490 A CB 1.482 20.491 19.000 0.014 0.000 1.198 490 A HN 0.660 nan 8.150 nan 0.000 0.484 491 V N 2.379 122.325 119.914 0.053 0.000 2.656 491 V HA 0.522 4.642 4.120 0.000 0.000 0.307 491 V C -0.786 175.382 176.094 0.124 0.000 1.051 491 V CA -0.468 61.873 62.300 0.069 0.000 0.893 491 V CB 1.693 33.543 31.823 0.046 0.000 0.999 491 V HN 1.047 nan 8.190 nan 0.000 0.426 492 H N 2.273 121.349 119.070 0.010 0.000 2.924 492 H HA 0.710 5.265 4.556 -0.000 0.000 0.333 492 H C -0.095 175.240 175.328 0.012 0.000 0.979 492 H CA 0.129 56.184 56.048 0.011 0.000 1.326 492 H CB 1.512 31.278 29.762 0.007 0.000 1.600 492 H HN 0.865 nan 8.280 nan 0.000 0.520 493 G N 2.598 111.170 108.800 -0.380 0.000 2.437 493 G HA2 0.708 4.668 3.960 0.000 0.000 0.319 493 G HA3 0.708 4.668 3.960 0.000 0.000 0.319 493 G C -0.694 173.886 174.900 -0.534 0.000 1.158 493 G CA 0.008 44.888 45.100 -0.367 0.000 0.899 493 G HN 0.898 nan 8.290 nan 0.000 0.502 504 L N -0.663 120.578 121.223 0.030 0.000 2.354 504 L HA 0.834 5.174 4.340 0.000 0.000 0.264 504 L C -1.069 175.834 176.870 0.054 0.000 1.008 504 L CA -0.846 54.030 54.840 0.060 0.000 0.819 504 L CB 1.913 44.033 42.059 0.102 0.000 1.339 504 L HN 0.366 nan 8.230 nan 0.000 0.420 505 L N 1.740 122.984 121.223 0.036 0.000 2.381 505 L HA 0.659 5.000 4.340 0.000 0.000 0.274 505 L C -0.989 175.893 176.870 0.020 0.000 0.988 505 L CA -0.443 54.412 54.840 0.025 0.000 0.824 505 L CB 1.531 43.596 42.059 0.010 0.000 1.263 505 L HN 0.783 nan 8.230 nan 0.000 0.410 506 K N 3.999 124.410 120.400 0.018 0.000 2.324 506 K HA 0.620 4.941 4.320 0.000 0.000 0.253 506 K C -1.512 175.089 176.600 0.001 0.000 0.932 506 K CA -0.759 55.533 56.287 0.009 0.000 0.799 506 K CB 2.750 35.255 32.500 0.009 0.000 1.154 506 K HN 0.326 nan 8.250 nan 0.000 0.425 507 V N 4.643 124.555 119.914 -0.004 0.000 2.384 507 V HA 0.413 4.533 4.120 0.000 0.000 0.287 507 V C -0.788 175.301 176.094 -0.009 0.000 1.020 507 V CA -0.874 61.421 62.300 -0.008 0.000 0.850 507 V CB 1.074 32.890 31.823 -0.012 0.000 0.987 507 V HN 0.535 nan 8.190 nan 0.000 0.436 508 L N 3.705 124.922 121.223 -0.010 0.000 2.333 508 L HA 0.764 5.105 4.340 0.000 0.000 0.263 508 L C 0.308 177.172 176.870 -0.011 0.000 1.014 508 L CA -0.021 54.813 54.840 -0.010 0.000 0.820 508 L CB 2.607 44.660 42.059 -0.010 0.000 1.352 508 L HN 0.653 nan 8.230 nan 0.000 0.421 509 T N 0.512 115.060 114.554 -0.011 0.000 2.859 509 T HA 0.718 5.068 4.350 0.000 0.000 0.281 509 T C -0.049 174.644 174.700 -0.011 0.000 1.005 509 T CA -0.530 61.563 62.100 -0.011 0.000 1.025 509 T CB 1.534 70.396 68.868 -0.010 0.000 0.977 509 T HN 0.584 nan 8.240 nan 0.000 0.458 510 V N 0.638 120.545 119.914 -0.011 0.000 2.470 510 V HA 0.711 4.831 4.120 0.000 0.000 0.276 510 V C 0.288 176.376 176.094 -0.010 0.000 1.040 510 V CA -0.051 62.242 62.300 -0.011 0.000 1.008 510 V CB -0.556 31.260 31.823 -0.011 0.000 0.990 510 V HN 1.177 nan 8.190 nan 0.000 0.477 511 E N 0.000 120.194 120.200 -0.010 0.000 2.725 511 E HA 0.000 4.350 4.350 0.000 0.000 0.291 511 E CA 0.000 56.395 56.400 -0.009 0.000 0.976 511 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 511 E HN 0.000 nan 8.360 nan 0.000 0.440