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 2vba_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.310 55.300 0.016 0.000 0.988 1 M CB 0.000 32.614 32.600 0.023 0.000 1.302 2 K N 3.271 123.678 120.400 0.011 0.000 2.436 2 K HA 0.283 4.603 4.320 -0.000 0.000 0.275 2 K C -0.645 175.958 176.600 0.006 0.000 0.999 2 K CA 0.122 56.413 56.287 0.007 0.000 0.980 2 K CB 0.384 32.885 32.500 0.002 0.000 0.919 2 K HN 0.660 nan 8.250 nan 0.000 0.484 3 R N 0.513 121.014 120.500 0.002 0.000 2.540 3 R HA 0.543 4.883 4.340 -0.000 0.000 0.287 3 R C -0.437 175.856 176.300 -0.011 0.000 0.980 3 R CA -0.661 55.438 56.100 -0.000 0.000 0.966 3 R CB 1.616 31.916 30.300 -0.000 0.000 1.106 3 R HN 0.647 nan 8.270 nan 0.000 0.480 4 A N 2.166 124.976 122.820 -0.016 0.000 2.331 4 A HA 0.617 4.937 4.320 -0.000 0.000 0.320 4 A C -0.443 177.120 177.584 -0.034 0.000 1.138 4 A CA -0.681 51.335 52.037 -0.034 0.000 0.790 4 A CB 1.114 20.087 19.000 -0.045 0.000 1.206 4 A HN 0.530 nan 8.150 nan 0.000 0.470 5 V N 0.077 119.967 119.914 -0.041 0.000 3.046 5 V HA 0.739 4.859 4.120 -0.000 0.000 0.316 5 V C -0.649 175.420 176.094 -0.041 0.000 1.104 5 V CA -1.102 61.178 62.300 -0.034 0.000 1.006 5 V CB 1.758 33.562 31.823 -0.032 0.000 1.058 5 V HN 0.615 nan 8.190 nan 0.000 0.440 6 I N 2.860 123.422 120.570 -0.014 0.000 2.321 6 I HA 0.426 4.595 4.170 -0.000 0.000 0.291 6 I C 1.116 177.296 176.117 0.104 0.000 0.998 6 I CA 0.169 61.472 61.300 0.005 0.000 1.227 6 I CB 1.167 39.156 38.000 -0.018 0.000 1.368 6 I HN 1.044 nan 8.210 nan 0.000 0.466 7 T N 1.145 115.747 114.554 0.080 0.000 3.044 7 T HA 0.475 4.825 4.350 -0.000 0.000 0.260 7 T C 0.560 175.400 174.700 0.234 0.000 1.019 7 T CA -0.253 61.918 62.100 0.117 0.000 0.921 7 T CB 0.560 69.444 68.868 0.027 0.000 1.053 7 T HN 0.744 nan 8.240 nan 0.000 0.533 8 G N 1.357 110.291 108.800 0.223 0.000 2.667 8 G HA2 0.560 4.520 3.960 -0.000 0.000 0.294 8 G HA3 0.560 4.520 3.960 -0.000 0.000 0.294 8 G C -2.103 172.821 174.900 0.039 0.000 1.467 8 G CA -0.922 44.312 45.100 0.222 0.000 0.852 8 G HN 0.656 nan 8.290 nan 0.000 0.521 9 L N -1.256 119.972 121.223 0.007 0.000 2.469 9 L HA 1.063 5.403 4.340 -0.000 0.000 0.256 9 L C -0.071 176.772 176.870 -0.046 0.000 1.006 9 L CA -0.848 53.932 54.840 -0.099 0.000 0.832 9 L CB 1.892 43.792 42.059 -0.265 0.000 1.421 9 L HN 1.305 nan 8.230 nan 0.000 0.410 10 G N 0.824 109.586 108.800 -0.063 0.000 2.733 10 G HA2 0.763 4.723 3.960 -0.000 0.000 0.297 10 G HA3 0.763 4.723 3.960 -0.000 0.000 0.297 10 G C -2.109 172.762 174.900 -0.048 0.000 1.422 10 G CA -0.625 44.449 45.100 -0.042 0.000 0.942 10 G HN 1.021 nan 8.290 nan 0.000 0.510 11 I N 0.668 121.223 120.570 -0.025 0.000 2.787 11 I HA 0.581 4.751 4.170 -0.000 0.000 0.294 11 I C -1.534 174.575 176.117 -0.013 0.000 1.365 11 I CA -0.885 60.398 61.300 -0.028 0.000 1.029 11 I CB 2.299 40.281 38.000 -0.031 0.000 1.313 11 I HN 0.364 nan 8.210 nan 0.000 0.431 12 V N 6.415 126.308 119.914 -0.034 0.000 2.447 12 V HA 0.610 4.730 4.120 -0.000 0.000 0.292 12 V C -0.288 175.720 176.094 -0.143 0.000 1.021 12 V CA -0.247 62.008 62.300 -0.074 0.000 0.850 12 V CB 1.425 33.208 31.823 -0.067 0.000 1.005 12 V HN 0.806 nan 8.190 nan 0.000 0.426 13 S N 2.321 117.962 115.700 -0.099 0.000 2.667 13 S HA 0.459 4.929 4.470 -0.000 0.000 0.292 13 S C 1.138 175.682 174.600 -0.092 0.000 1.126 13 S CA 0.090 58.246 58.200 -0.073 0.000 0.881 13 S CB 1.862 65.104 63.200 0.070 0.000 1.132 13 S HN 0.923 nan 8.310 nan 0.000 0.492 14 S N 0.552 116.205 115.700 -0.078 0.000 2.442 14 S HA -0.111 4.359 4.470 -0.000 0.000 0.236 14 S C 1.440 176.013 174.600 -0.046 0.000 1.007 14 S CA 1.151 59.306 58.200 -0.076 0.000 0.965 14 S CB -1.148 62.020 63.200 -0.054 0.000 0.773 14 S HN 1.065 nan 8.310 nan 0.000 0.504 15 I N -2.506 118.045 120.570 -0.031 0.000 3.941 15 I HA 0.674 4.844 4.170 -0.000 0.000 0.335 15 I C 0.577 176.677 176.117 -0.028 0.000 1.402 15 I CA -0.337 60.937 61.300 -0.044 0.000 1.112 15 I CB 0.214 38.155 38.000 -0.097 0.000 1.043 15 I HN 0.309 nan 8.210 nan 0.000 0.395 16 G N 0.976 109.766 108.800 -0.017 0.000 2.376 16 G HA2 0.030 3.990 3.960 -0.000 0.000 0.302 16 G HA3 0.030 3.990 3.960 -0.000 0.000 0.302 16 G C -0.854 174.039 174.900 -0.010 0.000 1.586 16 G CA -0.647 44.446 45.100 -0.011 0.000 0.907 16 G HN -0.014 nan 8.290 nan 0.000 0.655 17 N N 0.081 118.775 118.700 -0.010 0.000 2.336 17 N HA 0.117 4.857 4.740 -0.000 0.000 0.189 17 N C 0.371 175.886 175.510 0.008 0.000 1.113 17 N CA 0.716 53.762 53.050 -0.007 0.000 0.858 17 N CB 0.220 38.707 38.487 -0.001 0.000 0.970 17 N HN 0.814 nan 8.380 nan 0.000 0.471 18 N N -1.774 116.933 118.700 0.012 0.000 3.227 18 N HA -0.021 4.719 4.740 -0.000 0.000 0.241 18 N C 0.258 175.784 175.510 0.027 0.000 1.480 18 N CA -0.664 52.398 53.050 0.019 0.000 0.886 18 N CB 0.433 38.931 38.487 0.020 0.000 1.406 18 N HN -0.148 nan 8.380 nan 0.000 0.514 19 Q N -1.281 118.540 119.800 0.035 0.000 2.297 19 Q HA -0.038 4.302 4.340 -0.000 0.000 0.204 19 Q C 0.700 176.718 176.000 0.030 0.000 0.962 19 Q CA 1.311 57.145 55.803 0.051 0.000 0.879 19 Q CB -0.223 28.560 28.738 0.074 0.000 0.947 19 Q HN 0.609 nan 8.270 nan 0.000 0.462 20 Q N 1.361 121.168 119.800 0.012 0.000 2.046 20 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 20 Q C 1.740 177.719 176.000 -0.035 0.000 0.975 20 Q CA 1.908 57.699 55.803 -0.021 0.000 0.836 20 Q CB 0.057 28.786 28.738 -0.014 0.000 0.896 20 Q HN 0.553 nan 8.270 nan 0.000 0.428 21 E N -0.416 119.774 120.200 -0.018 0.000 2.072 21 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 21 E C 1.992 178.577 176.600 -0.026 0.000 0.985 21 E CA 1.212 57.597 56.400 -0.025 0.000 0.801 21 E CB 0.002 29.693 29.700 -0.014 0.000 0.750 21 E HN 0.110 nan 8.360 nan 0.000 0.452 22 V N 1.563 121.479 119.914 0.003 0.000 2.295 22 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 22 V C 2.334 178.427 176.094 -0.003 0.000 1.049 22 V CA 1.466 63.779 62.300 0.022 0.000 1.024 22 V CB -0.395 31.500 31.823 0.120 0.000 0.648 22 V HN 0.236 nan 8.190 nan 0.000 0.447 23 L N 0.991 122.208 121.223 -0.010 0.000 2.012 23 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 23 L C 2.435 179.215 176.870 -0.150 0.000 1.073 23 L CA 2.529 57.331 54.840 -0.062 0.000 0.748 23 L CB -0.975 40.980 42.059 -0.173 0.000 0.891 23 L HN 0.222 nan 8.230 nan 0.000 0.431 24 A N -1.497 121.241 122.820 -0.137 0.000 1.902 24 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 24 A C 2.391 179.901 177.584 -0.124 0.000 1.181 24 A CA 1.990 53.939 52.037 -0.146 0.000 0.623 24 A CB -0.993 17.944 19.000 -0.105 0.000 0.818 24 A HN 0.547 nan 8.150 nan 0.000 0.443 25 S N -0.154 115.491 115.700 -0.093 0.000 2.368 25 S HA -0.097 4.373 4.470 -0.000 0.000 0.225 25 S C 1.834 176.379 174.600 -0.092 0.000 1.030 25 S CA 1.452 59.600 58.200 -0.088 0.000 0.999 25 S CB -0.458 62.689 63.200 -0.088 0.000 0.844 25 S HN 0.511 nan 8.310 nan 0.000 0.459 26 L N 0.827 122.003 121.223 -0.080 0.000 2.046 26 L HA -0.103 4.236 4.340 -0.000 0.000 0.208 26 L C 2.701 179.588 176.870 0.029 0.000 1.077 26 L CA 1.287 56.128 54.840 0.001 0.000 0.747 26 L CB -0.410 41.743 42.059 0.157 0.000 0.896 26 L HN 0.218 nan 8.230 nan 0.000 0.432 27 R N -0.077 120.319 120.500 -0.172 0.000 2.115 27 R HA -0.149 4.191 4.340 -0.000 0.000 0.230 27 R C 1.873 178.086 176.300 -0.146 0.000 1.111 27 R CA 1.164 57.076 56.100 -0.314 0.000 0.976 27 R CB -0.079 29.913 30.300 -0.513 0.000 0.870 27 R HN 0.390 nan 8.270 nan 0.000 0.445 28 E N -0.855 119.278 120.200 -0.112 0.000 2.478 28 E HA 0.076 4.426 4.350 -0.000 0.000 0.194 28 E C 0.584 177.154 176.600 -0.049 0.000 1.045 28 E CA 0.346 56.700 56.400 -0.077 0.000 0.868 28 E CB 0.708 30.362 29.700 -0.076 0.000 0.885 28 E HN 0.443 nan 8.360 nan 0.000 0.505 29 G N 2.514 111.289 108.800 -0.042 0.000 2.273 29 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.280 29 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.280 29 G C 0.014 174.891 174.900 -0.039 0.000 1.047 29 G CA 0.552 45.633 45.100 -0.032 0.000 0.869 29 G HN 0.226 nan 8.290 nan 0.000 0.502 30 R N 0.300 120.770 120.500 -0.050 0.000 2.234 30 R HA 0.500 4.839 4.340 -0.000 0.000 0.324 30 R C 0.818 177.092 176.300 -0.043 0.000 1.054 30 R CA 0.167 56.242 56.100 -0.042 0.000 0.912 30 R CB 0.547 30.821 30.300 -0.044 0.000 1.030 30 R HN 0.253 nan 8.270 nan 0.000 0.455 31 S N 2.308 117.992 115.700 -0.026 0.000 2.562 31 S HA 0.136 4.606 4.470 -0.000 0.000 0.281 31 S C 1.010 175.605 174.600 -0.008 0.000 1.333 31 S CA -0.006 58.183 58.200 -0.018 0.000 1.052 31 S CB 0.963 64.163 63.200 -0.000 0.000 0.884 31 S HN 0.808 nan 8.310 nan 0.000 0.506 32 G N 4.089 112.885 108.800 -0.007 0.000 3.337 32 G HA2 0.240 4.200 3.960 -0.000 0.000 0.246 32 G HA3 0.240 4.200 3.960 -0.000 0.000 0.246 32 G C 0.098 175.025 174.900 0.045 0.000 1.131 32 G CA -0.255 44.848 45.100 0.005 0.000 0.773 32 G HN 0.606 nan 8.290 nan 0.000 0.544 33 I N 2.417 123.028 120.570 0.068 0.000 2.353 33 I HA 0.394 4.564 4.170 -0.000 0.000 0.293 33 I C 0.523 176.737 176.117 0.163 0.000 0.992 33 I CA -0.483 60.893 61.300 0.126 0.000 1.268 33 I CB 0.646 38.710 38.000 0.108 0.000 1.387 33 I HN 0.054 nan 8.210 nan 0.000 0.478 34 T N 2.541 117.249 114.554 0.257 0.000 2.901 34 T HA 0.545 4.895 4.350 -0.000 0.000 0.293 34 T C -0.471 174.386 174.700 0.262 0.000 1.084 34 T CA -0.725 61.537 62.100 0.269 0.000 1.008 34 T CB 1.838 70.883 68.868 0.295 0.000 1.170 34 T HN 0.216 nan 8.240 nan 0.000 0.509 35 F N 1.729 121.728 119.950 0.082 0.000 2.471 35 F HA 0.524 5.051 4.527 -0.000 0.000 0.353 35 F C 0.491 176.208 175.800 -0.140 0.000 1.113 35 F CA -0.059 57.932 58.000 -0.014 0.000 1.262 35 F CB 0.824 39.825 39.000 0.002 0.000 1.146 35 F HN 0.689 nan 8.300 nan 0.000 0.578 36 S N 4.853 119.741 115.700 -1.353 0.000 2.566 36 S HA 0.195 4.665 4.470 -0.000 0.000 0.324 36 S C 0.502 174.246 174.600 -1.427 0.000 1.081 36 S CA -0.679 56.656 58.200 -1.441 0.000 1.105 36 S CB 1.289 63.174 63.200 -2.190 0.000 0.981 36 S HN 0.882 nan 8.310 nan 0.000 0.464 37 Q N 3.383 122.677 119.800 -0.843 0.000 2.170 37 Q HA -0.092 4.248 4.340 -0.000 0.000 0.203 37 Q C 1.757 177.515 176.000 -0.404 0.000 0.976 37 Q CA 2.220 57.755 55.803 -0.447 0.000 0.858 37 Q CB -0.129 28.579 28.738 -0.049 0.000 0.907 37 Q HN 0.914 nan 8.270 nan 0.000 0.433 38 E N -0.476 119.483 120.200 -0.402 0.000 2.051 38 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 38 E C 1.776 178.195 176.600 -0.303 0.000 0.991 38 E CA 1.297 57.547 56.400 -0.250 0.000 0.799 38 E CB -0.178 29.485 29.700 -0.063 0.000 0.748 38 E HN 0.469 nan 8.360 nan 0.000 0.449 39 L N 0.650 121.581 121.223 -0.488 0.000 2.046 39 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 39 L C 2.880 179.568 176.870 -0.303 0.000 1.077 39 L CA 1.502 56.163 54.840 -0.299 0.000 0.747 39 L CB -0.536 41.328 42.059 -0.326 0.000 0.896 39 L HN 0.153 nan 8.230 nan 0.000 0.432 40 K N 0.292 120.375 120.400 -0.528 0.000 2.057 40 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 40 K C 1.666 178.041 176.600 -0.375 0.000 1.049 40 K CA 1.849 57.731 56.287 -0.675 0.000 0.931 40 K CB 0.002 32.016 32.500 -0.810 0.000 0.714 40 K HN 0.196 nan 8.250 nan 0.000 0.440 41 D N 0.101 120.314 120.400 -0.311 0.000 2.218 41 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 41 D C 1.863 177.984 176.300 -0.298 0.000 0.976 41 D CA 1.446 55.295 54.000 -0.251 0.000 0.853 41 D CB -0.112 40.557 40.800 -0.218 0.000 0.939 41 D HN 0.353 nan 8.370 nan 0.000 0.481 42 S N -0.959 114.528 115.700 -0.355 0.000 2.515 42 S HA 0.131 4.601 4.470 -0.000 0.000 0.231 42 S C 1.739 176.171 174.600 -0.279 0.000 0.987 42 S CA 0.991 58.904 58.200 -0.478 0.000 0.936 42 S CB 0.189 63.089 63.200 -0.501 0.000 0.766 42 S HN 0.315 nan 8.310 nan 0.000 0.528 43 G N 0.444 109.141 108.800 -0.172 0.000 2.176 43 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.232 43 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.232 43 G C 0.022 174.920 174.900 -0.003 0.000 0.986 43 G CA 0.085 45.134 45.100 -0.084 0.000 0.643 43 G HN 0.488 nan 8.290 nan 0.000 0.522 44 M N -0.397 119.217 119.600 0.023 0.000 2.198 44 M HA 0.399 4.878 4.480 -0.000 0.000 0.315 44 M C 1.855 178.258 176.300 0.172 0.000 1.134 44 M CA 0.096 55.450 55.300 0.090 0.000 1.171 44 M CB 0.526 33.186 32.600 0.101 0.000 1.413 44 M HN 0.170 nan 8.290 nan 0.000 0.467 45 R N -0.334 120.203 120.500 0.062 0.000 2.189 45 R HA 0.100 4.440 4.340 -0.000 0.000 0.203 45 R C 0.493 176.631 176.300 -0.270 0.000 1.012 45 R CA 0.205 56.267 56.100 -0.064 0.000 1.015 45 R CB 0.234 30.495 30.300 -0.065 0.000 0.938 45 R HN 0.562 nan 8.270 nan 0.000 0.472 46 S N 0.490 116.125 115.700 -0.108 0.000 2.465 46 S HA 0.111 4.580 4.470 -0.000 0.000 0.279 46 S C -0.122 174.478 174.600 -0.000 0.000 1.201 46 S CA -0.517 57.611 58.200 -0.121 0.000 1.053 46 S CB 0.289 63.449 63.200 -0.067 0.000 0.953 46 S HN 0.344 nan 8.310 nan 0.000 0.488 47 H N 2.875 121.888 119.070 -0.095 0.000 2.475 47 H HA 0.350 4.906 4.556 -0.000 0.000 0.276 47 H C -0.150 174.982 175.328 -0.327 0.000 1.126 47 H CA -0.645 55.254 56.048 -0.249 0.000 1.023 47 H CB 0.494 30.179 29.762 -0.127 0.000 1.669 47 H HN 0.444 nan 8.280 nan 0.000 0.573 48 V N -1.722 118.145 119.914 -0.078 0.000 2.876 48 V HA 0.640 4.760 4.120 -0.000 0.000 0.312 48 V C -1.374 174.786 176.094 0.110 0.000 1.085 48 V CA -0.958 61.335 62.300 -0.011 0.000 0.945 48 V CB 2.185 34.069 31.823 0.102 0.000 1.017 48 V HN 0.398 nan 8.190 nan 0.000 0.428 49 W N 1.147 122.458 121.300 0.019 0.000 3.066 49 W HA 0.821 5.481 4.660 -0.000 0.000 0.330 49 W C -0.331 176.205 176.519 0.028 0.000 1.253 49 W CA -1.725 55.633 57.345 0.023 0.000 1.187 49 W CB 0.881 30.349 29.460 0.014 0.000 1.434 49 W HN 1.040 nan 8.180 nan 0.000 0.572 50 G N 3.536 112.447 108.800 0.186 0.000 2.857 50 G HA2 0.339 4.299 3.960 -0.000 0.000 0.326 50 G HA3 0.339 4.299 3.960 -0.000 0.000 0.326 50 G C -0.340 174.437 174.900 -0.205 0.000 0.950 50 G CA -0.624 44.487 45.100 0.018 0.000 1.400 50 G HN 0.581 nan 8.290 nan 0.000 0.473 51 N N 1.019 119.512 118.700 -0.345 0.000 2.515 51 N HA 0.231 4.971 4.740 -0.000 0.000 0.279 51 N C -0.308 175.014 175.510 -0.313 0.000 1.164 51 N CA -0.638 52.076 53.050 -0.560 0.000 0.982 51 N CB 1.864 39.882 38.487 -0.782 0.000 1.170 51 N HN -0.021 nan 8.380 nan 0.000 0.474 52 V N 1.296 121.006 119.914 -0.340 0.000 2.455 52 V HA 0.094 4.213 4.120 -0.000 0.000 0.273 52 V C 0.624 176.634 176.094 -0.140 0.000 1.045 52 V CA -0.326 61.810 62.300 -0.273 0.000 0.976 52 V CB 0.047 31.593 31.823 -0.462 0.000 0.993 52 V HN 0.599 nan 8.190 nan 0.000 0.475 53 K N 5.645 125.994 120.400 -0.086 0.000 2.403 53 K HA 0.555 4.874 4.320 -0.000 0.000 0.235 53 K C -0.964 175.631 176.600 -0.008 0.000 1.142 53 K CA -0.265 56.004 56.287 -0.029 0.000 1.114 53 K CB 0.441 32.933 32.500 -0.014 0.000 1.777 53 K HN 0.412 nan 8.250 nan 0.000 0.424 54 L N 0.898 122.126 121.223 0.008 0.000 2.588 54 L HA 0.268 4.608 4.340 -0.000 0.000 0.263 54 L C -1.779 175.120 176.870 0.049 0.000 0.935 54 L CA -0.565 54.292 54.840 0.029 0.000 0.891 54 L CB 1.911 43.990 42.059 0.033 0.000 1.318 54 L HN 0.191 nan 8.230 nan 0.000 0.409 55 D N 2.137 122.562 120.400 0.043 0.000 2.336 55 D HA 0.208 4.848 4.640 -0.000 0.000 0.249 55 D C 0.934 177.261 176.300 0.044 0.000 1.213 55 D CA 0.465 54.490 54.000 0.042 0.000 0.870 55 D CB 1.336 42.156 40.800 0.032 0.000 1.076 55 D HN 0.692 nan 8.370 nan 0.000 0.483 56 T N -0.044 114.540 114.554 0.050 0.000 3.129 56 T HA 0.030 4.380 4.350 -0.000 0.000 0.251 56 T C 0.803 175.508 174.700 0.009 0.000 1.117 56 T CA -0.294 61.832 62.100 0.043 0.000 1.034 56 T CB -0.411 68.489 68.868 0.053 0.000 0.968 56 T HN 0.246 nan 8.240 nan 0.000 0.526 57 T N 2.546 117.103 114.554 0.005 0.000 2.871 57 T HA 0.393 4.743 4.350 -0.000 0.000 0.296 57 T C 1.554 176.246 174.700 -0.014 0.000 0.998 57 T CA 0.882 62.975 62.100 -0.012 0.000 1.162 57 T CB 0.006 68.871 68.868 -0.004 0.000 0.947 57 T HN 0.735 nan 8.240 nan 0.000 0.536 58 G N 2.678 111.458 108.800 -0.033 0.000 2.189 58 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.267 58 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.267 58 G C 0.881 175.769 174.900 -0.021 0.000 0.975 58 G CA 0.371 45.453 45.100 -0.031 0.000 0.644 58 G HN 0.695 nan 8.290 nan 0.000 0.537 59 L N -0.424 120.792 121.223 -0.012 0.000 2.291 59 L HA 0.314 4.654 4.340 -0.000 0.000 0.214 59 L C 1.261 178.136 176.870 0.008 0.000 1.120 59 L CA 0.788 55.640 54.840 0.020 0.000 0.799 59 L CB -0.083 42.007 42.059 0.051 0.000 0.925 59 L HN 0.306 nan 8.230 nan 0.000 0.446 60 I N -1.010 119.510 120.570 -0.083 0.000 2.545 60 I HA 0.209 4.379 4.170 -0.000 0.000 0.292 60 I C -0.695 175.310 176.117 -0.186 0.000 1.040 60 I CA -1.019 60.159 61.300 -0.203 0.000 1.068 60 I CB 1.988 39.717 38.000 -0.453 0.000 1.251 60 I HN -0.186 nan 8.210 nan 0.000 0.424 61 D N 2.856 123.156 120.400 -0.167 0.000 2.472 61 D HA -0.039 4.600 4.640 -0.000 0.000 0.237 61 D C 1.352 177.553 176.300 -0.165 0.000 1.141 61 D CA 0.133 54.056 54.000 -0.128 0.000 0.875 61 D CB 0.968 41.712 40.800 -0.095 0.000 1.192 61 D HN 0.355 nan 8.370 nan 0.000 0.450 62 R N 2.021 122.438 120.500 -0.138 0.000 2.103 62 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 62 R C 1.961 178.135 176.300 -0.209 0.000 1.142 62 R CA 1.829 57.828 56.100 -0.169 0.000 0.960 62 R CB -0.678 29.543 30.300 -0.131 0.000 0.858 62 R HN 0.384 nan 8.270 nan 0.000 0.439 63 K N -0.449 119.862 120.400 -0.149 0.000 2.439 63 K HA 0.148 4.468 4.320 -0.000 0.000 0.197 63 K C 2.053 178.607 176.600 -0.077 0.000 1.041 63 K CA 1.051 57.260 56.287 -0.129 0.000 0.970 63 K CB -0.385 32.091 32.500 -0.040 0.000 0.773 63 K HN 0.451 nan 8.250 nan 0.000 0.479 64 V N -0.808 119.036 119.914 -0.118 0.000 2.492 64 V HA 0.018 4.138 4.120 -0.000 0.000 0.241 64 V C 2.020 178.007 176.094 -0.177 0.000 1.041 64 V CA 1.167 63.406 62.300 -0.102 0.000 1.057 64 V CB 0.136 31.811 31.823 -0.247 0.000 0.711 64 V HN 0.275 nan 8.190 nan 0.000 0.468 65 V N 2.241 121.975 119.914 -0.301 0.000 2.970 65 V HA -0.140 3.979 4.120 -0.000 0.000 0.260 65 V C 2.734 178.594 176.094 -0.390 0.000 1.100 65 V CA 1.769 63.868 62.300 -0.334 0.000 1.122 65 V CB -0.630 31.003 31.823 -0.315 0.000 0.721 65 V HN 0.689 nan 8.190 nan 0.000 0.483 66 R N -0.941 119.235 120.500 -0.541 0.000 2.200 66 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 66 R C 1.779 177.455 176.300 -1.041 0.000 1.127 66 R CA 2.017 57.579 56.100 -0.897 0.000 0.989 66 R CB -0.734 28.826 30.300 -1.235 0.000 0.869 66 R HN 0.486 nan 8.270 nan 0.000 0.459 67 F N 0.897 120.564 119.950 -0.472 0.000 2.789 67 F HA 0.312 4.839 4.527 -0.000 0.000 0.300 67 F C 1.011 176.642 175.800 -0.281 0.000 1.132 67 F CA 0.177 58.003 58.000 -0.291 0.000 1.404 67 F CB 0.099 39.005 39.000 -0.155 0.000 1.114 67 F HN -0.102 nan 8.300 nan 0.000 0.584 68 M N -0.092 119.386 119.600 -0.204 0.000 2.363 68 M HA 0.290 4.770 4.480 -0.000 0.000 0.343 68 M C 0.513 176.625 176.300 -0.314 0.000 1.165 68 M CA -0.637 54.543 55.300 -0.200 0.000 1.046 68 M CB 1.700 34.181 32.600 -0.198 0.000 1.648 68 M HN -0.000 nan 8.290 nan 0.000 0.452 69 S N 0.342 115.902 115.700 -0.233 0.000 2.686 69 S HA 0.267 4.737 4.470 -0.000 0.000 0.270 69 S C 0.391 174.907 174.600 -0.139 0.000 1.194 69 S CA -0.679 57.435 58.200 -0.144 0.000 0.990 69 S CB 0.831 64.041 63.200 0.017 0.000 1.029 69 S HN 0.661 nan 8.310 nan 0.000 0.560 70 D N 0.861 121.182 120.400 -0.132 0.000 2.178 70 D HA 0.017 4.657 4.640 -0.000 0.000 0.201 70 D C 2.170 178.167 176.300 -0.505 0.000 0.980 70 D CA 1.588 55.330 54.000 -0.431 0.000 0.842 70 D CB -0.865 39.683 40.800 -0.420 0.000 0.948 70 D HN 0.656 nan 8.370 nan 0.000 0.472 71 A N 0.432 123.155 122.820 -0.162 0.000 1.908 71 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 71 A C 2.437 180.020 177.584 -0.002 0.000 1.181 71 A CA 1.926 53.960 52.037 -0.006 0.000 0.627 71 A CB -0.585 18.450 19.000 0.058 0.000 0.818 71 A HN 0.171 nan 8.150 nan 0.000 0.445 72 S N -0.318 115.363 115.700 -0.032 0.000 2.383 72 S HA -0.071 4.399 4.470 -0.000 0.000 0.227 72 S C 1.797 176.412 174.600 0.025 0.000 1.026 72 S CA 1.294 59.504 58.200 0.017 0.000 0.981 72 S CB -0.476 62.721 63.200 -0.005 0.000 0.818 72 S HN 0.538 nan 8.310 nan 0.000 0.472 73 I N 0.453 120.953 120.570 -0.117 0.000 2.163 73 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 73 I C 2.059 178.226 176.117 0.082 0.000 1.085 73 I CA 1.428 62.667 61.300 -0.101 0.000 1.347 73 I CB -0.454 37.387 38.000 -0.266 0.000 1.044 73 I HN 0.273 nan 8.210 nan 0.000 0.408 74 Y N 0.729 121.072 120.300 0.071 0.000 2.242 74 Y HA -0.136 4.414 4.550 -0.000 0.000 0.291 74 Y C 2.643 178.591 175.900 0.080 0.000 1.137 74 Y CA 0.664 58.801 58.100 0.063 0.000 1.181 74 Y CB -1.320 37.155 38.460 0.026 0.000 0.989 74 Y HN 0.117 nan 8.280 nan 0.000 0.527 75 A N -0.412 122.552 122.820 0.239 0.000 1.930 75 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 75 A C 2.174 179.859 177.584 0.168 0.000 1.175 75 A CA 1.361 53.491 52.037 0.156 0.000 0.627 75 A CB -1.293 17.780 19.000 0.123 0.000 0.815 75 A HN 0.433 nan 8.150 nan 0.000 0.443 76 F N 0.649 120.655 119.950 0.094 0.000 2.102 76 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 76 F C 1.894 177.784 175.800 0.150 0.000 1.105 76 F CA 1.710 59.807 58.000 0.161 0.000 1.239 76 F CB -0.257 38.811 39.000 0.114 0.000 0.991 76 F HN 0.136 nan 8.300 nan 0.000 0.474 77 L N -0.621 120.829 121.223 0.378 0.000 2.046 77 L HA -0.238 4.101 4.340 -0.000 0.000 0.208 77 L C 2.513 179.424 176.870 0.068 0.000 1.077 77 L CA 1.461 56.440 54.840 0.232 0.000 0.747 77 L CB -1.010 41.190 42.059 0.236 0.000 0.896 77 L HN 0.081 nan 8.230 nan 0.000 0.432 78 S N -0.356 115.378 115.700 0.055 0.000 2.382 78 S HA -0.227 4.243 4.470 -0.000 0.000 0.228 78 S C 1.934 176.469 174.600 -0.109 0.000 1.027 78 S CA 1.626 59.816 58.200 -0.016 0.000 0.991 78 S CB -0.252 62.944 63.200 -0.006 0.000 0.823 78 S HN 0.354 nan 8.310 nan 0.000 0.469 79 M N 1.513 120.991 119.600 -0.204 0.000 2.117 79 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 79 M C 1.959 177.958 176.300 -0.501 0.000 1.065 79 M CA 1.455 56.476 55.300 -0.464 0.000 1.114 79 M CB -0.177 31.951 32.600 -0.786 0.000 1.361 79 M HN 0.236 nan 8.290 nan 0.000 0.408 80 E N -0.197 119.802 120.200 -0.335 0.000 2.085 80 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 80 E C 2.054 178.585 176.600 -0.116 0.000 0.994 80 E CA 1.715 58.007 56.400 -0.180 0.000 0.801 80 E CB -0.224 29.440 29.700 -0.060 0.000 0.743 80 E HN 0.684 nan 8.360 nan 0.000 0.453 81 Q N 0.107 119.860 119.800 -0.077 0.000 2.084 81 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 81 Q C 2.231 178.208 176.000 -0.039 0.000 0.978 81 Q CA 1.379 57.162 55.803 -0.033 0.000 0.844 81 Q CB -0.173 28.557 28.738 -0.014 0.000 0.898 81 Q HN 0.235 nan 8.270 nan 0.000 0.426 82 A N 0.754 123.527 122.820 -0.079 0.000 1.930 82 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 82 A C 2.025 179.597 177.584 -0.019 0.000 1.175 82 A CA 1.035 53.049 52.037 -0.037 0.000 0.627 82 A CB -0.566 18.410 19.000 -0.041 0.000 0.815 82 A HN 0.298 nan 8.150 nan 0.000 0.443 83 I N -0.303 120.195 120.570 -0.120 0.000 2.226 83 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 83 I C 2.967 179.073 176.117 -0.019 0.000 1.100 83 I CA 1.103 62.331 61.300 -0.121 0.000 1.374 83 I CB -0.260 37.525 38.000 -0.359 0.000 1.057 83 I HN 0.367 nan 8.210 nan 0.000 0.413 84 A N 0.130 122.943 122.820 -0.011 0.000 1.898 84 A HA -0.285 4.035 4.320 -0.000 0.000 0.216 84 A C 2.001 179.611 177.584 0.043 0.000 1.181 84 A CA 2.207 54.259 52.037 0.027 0.000 0.620 84 A CB -0.700 18.315 19.000 0.025 0.000 0.819 84 A HN 0.425 nan 8.150 nan 0.000 0.442 85 D N -0.112 120.320 120.400 0.053 0.000 2.144 85 D HA -0.024 4.615 4.640 -0.000 0.000 0.199 85 D C 1.812 178.181 176.300 0.115 0.000 0.984 85 D CA 1.446 55.503 54.000 0.095 0.000 0.834 85 D CB -0.160 40.721 40.800 0.136 0.000 0.955 85 D HN 0.341 nan 8.370 nan 0.000 0.465 86 A N -0.808 122.071 122.820 0.099 0.000 2.206 86 A HA 0.391 4.711 4.320 -0.000 0.000 0.211 86 A C 1.766 179.397 177.584 0.079 0.000 1.158 86 A CA 1.004 53.098 52.037 0.096 0.000 0.761 86 A CB -0.575 18.466 19.000 0.068 0.000 0.801 86 A HN 0.442 nan 8.150 nan 0.000 0.473 87 G N -0.882 107.961 108.800 0.071 0.000 2.221 87 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.265 87 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.265 87 G C -0.088 174.866 174.900 0.089 0.000 1.041 87 G CA 0.360 45.500 45.100 0.067 0.000 0.807 87 G HN 0.470 nan 8.290 nan 0.000 0.502 88 L N 1.874 123.167 121.223 0.117 0.000 2.257 88 L HA 0.496 4.836 4.340 -0.000 0.000 0.290 88 L C 1.273 178.300 176.870 0.262 0.000 1.044 88 L CA -0.269 54.690 54.840 0.197 0.000 0.810 88 L CB 1.410 43.612 42.059 0.238 0.000 1.193 88 L HN 0.423 nan 8.230 nan 0.000 0.425 89 S N 2.826 118.650 115.700 0.207 0.000 2.600 89 S HA 0.286 4.756 4.470 -0.000 0.000 0.265 89 S C -1.843 172.850 174.600 0.154 0.000 1.325 89 S CA -1.087 57.210 58.200 0.162 0.000 1.002 89 S CB 0.992 64.239 63.200 0.079 0.000 0.921 89 S HN 0.372 nan 8.310 nan 0.000 0.554 90 P HA -0.112 nan 4.420 nan 0.000 0.216 90 P C 0.961 178.058 177.300 -0.338 0.000 1.150 90 P CA 1.356 64.289 63.100 -0.279 0.000 0.843 90 P CB -0.043 31.580 31.700 -0.128 0.000 0.787 91 E N -0.748 119.370 120.200 -0.136 0.000 2.204 91 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 91 E C 2.031 178.591 176.600 -0.067 0.000 0.989 91 E CA 1.250 57.590 56.400 -0.101 0.000 0.824 91 E CB -0.934 28.739 29.700 -0.044 0.000 0.756 91 E HN 0.199 nan 8.360 nan 0.000 0.477 92 A N 0.108 122.924 122.820 -0.006 0.000 1.930 92 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 92 A C 1.816 179.479 177.584 0.131 0.000 1.176 92 A CA 1.384 53.473 52.037 0.087 0.000 0.632 92 A CB -0.419 18.677 19.000 0.160 0.000 0.819 92 A HN 0.513 nan 8.150 nan 0.000 0.445 93 Y N -1.909 118.440 120.300 0.081 0.000 2.430 93 Y HA 0.453 5.003 4.550 -0.000 0.000 0.254 93 Y C 0.678 176.618 175.900 0.067 0.000 1.088 93 Y CA -0.655 57.512 58.100 0.112 0.000 1.267 93 Y CB -0.189 38.415 38.460 0.241 0.000 1.204 93 Y HN 0.172 nan 8.280 nan 0.000 0.515 94 Q N 2.074 121.535 119.800 -0.566 0.000 2.299 94 Q HA 0.181 4.521 4.340 -0.000 0.000 0.246 94 Q C -0.242 175.569 176.000 -0.314 0.000 0.935 94 Q CA -0.326 55.230 55.803 -0.412 0.000 0.887 94 Q CB 0.395 28.848 28.738 -0.475 0.000 1.223 94 Q HN 0.349 nan 8.270 nan 0.000 0.439 95 N N 1.910 120.317 118.700 -0.489 0.000 2.727 95 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 95 N C -1.243 174.014 175.510 -0.422 0.000 1.048 95 N CA 0.769 53.299 53.050 -0.867 0.000 0.714 95 N CB -1.111 37.117 38.487 -0.431 0.000 0.959 95 N HN 0.572 nan 8.380 nan 0.000 0.544 96 N N -0.091 118.474 118.700 -0.225 0.000 2.540 96 N HA 0.336 5.076 4.740 -0.000 0.000 0.275 96 N C -2.133 173.430 175.510 0.087 0.000 1.053 96 N CA -1.802 51.240 53.050 -0.013 0.000 0.876 96 N CB 1.616 40.106 38.487 0.005 0.000 1.284 96 N HN -0.206 nan 8.380 nan 0.000 0.518 97 P HA -0.004 nan 4.420 nan 0.000 0.223 97 P C 0.680 178.018 177.300 0.065 0.000 1.144 97 P CA 0.838 64.011 63.100 0.122 0.000 0.783 97 P CB 0.369 32.125 31.700 0.094 0.000 0.771 98 R N -1.028 119.495 120.500 0.038 0.000 2.334 98 R HA 0.189 4.529 4.340 -0.000 0.000 0.220 98 R C -0.022 176.254 176.300 -0.039 0.000 0.917 98 R CA 0.103 56.198 56.100 -0.009 0.000 1.073 98 R CB -0.096 30.189 30.300 -0.026 0.000 1.056 98 R HN 0.144 nan 8.270 nan 0.000 0.506 99 V N 0.169 120.091 119.914 0.013 0.000 2.487 99 V HA 0.645 4.765 4.120 -0.000 0.000 0.298 99 V C 0.430 176.567 176.094 0.072 0.000 1.028 99 V CA -0.818 61.495 62.300 0.022 0.000 0.860 99 V CB 1.808 33.703 31.823 0.121 0.000 0.991 99 V HN 0.280 nan 8.190 nan 0.000 0.427 100 G N 3.072 111.886 108.800 0.025 0.000 3.042 100 G HA2 0.811 4.771 3.960 -0.000 0.000 0.278 100 G HA3 0.811 4.771 3.960 -0.000 0.000 0.278 100 G C -1.840 173.103 174.900 0.072 0.000 1.371 100 G CA -0.760 44.353 45.100 0.023 0.000 1.009 100 G HN 0.699 nan 8.290 nan 0.000 0.523 101 L N -0.349 120.868 121.223 -0.008 0.000 2.516 101 L HA 0.704 5.044 4.340 -0.000 0.000 0.267 101 L C -1.489 175.304 176.870 -0.128 0.000 0.957 101 L CA -0.472 54.372 54.840 0.007 0.000 0.860 101 L CB 1.681 43.764 42.059 0.040 0.000 1.265 101 L HN 0.437 nan 8.230 nan 0.000 0.403 102 I N 5.372 125.875 120.570 -0.112 0.000 2.476 102 I HA 0.815 4.985 4.170 -0.000 0.000 0.281 102 I C -0.490 175.613 176.117 -0.024 0.000 1.040 102 I CA -0.413 60.805 61.300 -0.138 0.000 1.094 102 I CB 1.666 39.565 38.000 -0.169 0.000 1.219 102 I HN 0.791 nan 8.210 nan 0.000 0.450 103 A N 4.312 127.142 122.820 0.018 0.000 2.517 103 A HA 0.935 5.254 4.320 -0.000 0.000 0.297 103 A C -0.657 176.969 177.584 0.070 0.000 1.050 103 A CA -0.433 51.627 52.037 0.039 0.000 0.694 103 A CB 1.792 20.809 19.000 0.027 0.000 1.277 103 A HN 0.743 nan 8.150 nan 0.000 0.400 104 G N -0.100 108.746 108.800 0.076 0.000 2.866 104 G HA2 0.837 4.797 3.960 -0.000 0.000 0.289 104 G HA3 0.837 4.797 3.960 -0.000 0.000 0.289 104 G C -0.504 174.448 174.900 0.086 0.000 1.396 104 G CA 0.092 45.246 45.100 0.090 0.000 0.848 104 G HN 1.867 nan 8.290 nan 0.000 0.515 105 S N -1.937 113.818 115.700 0.092 0.000 2.595 105 S HA 0.659 5.129 4.470 -0.000 0.000 0.281 105 S C 0.956 175.617 174.600 0.103 0.000 1.117 105 S CA 0.214 58.470 58.200 0.093 0.000 0.873 105 S CB 1.602 64.856 63.200 0.090 0.000 1.108 105 S HN 1.404 nan 8.310 nan 0.000 0.477 106 G N 0.087 108.952 108.800 0.108 0.000 2.430 106 G HA2 0.304 4.264 3.960 -0.000 0.000 0.216 106 G HA3 0.304 4.264 3.960 -0.000 0.000 0.216 106 G C 0.913 175.894 174.900 0.136 0.000 1.146 106 G CA 0.444 45.622 45.100 0.130 0.000 0.793 106 G HN 1.159 nan 8.290 nan 0.000 0.537 107 G N -1.242 107.634 108.800 0.127 0.000 3.079 107 G HA2 0.450 4.410 3.960 -0.000 0.000 0.233 107 G HA3 0.450 4.410 3.960 -0.000 0.000 0.233 107 G C 1.070 176.028 174.900 0.096 0.000 1.062 107 G CA 0.835 46.007 45.100 0.120 0.000 0.809 107 G HN 1.131 nan 8.290 nan 0.000 0.535 108 G N 0.300 109.156 108.800 0.093 0.000 2.543 108 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.286 108 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.286 108 G C 0.333 175.289 174.900 0.092 0.000 1.153 108 G CA 0.615 45.767 45.100 0.086 0.000 0.968 108 G HN 1.345 nan 8.290 nan 0.000 0.544 109 S N 1.675 117.438 115.700 0.105 0.000 2.389 109 S HA 0.654 5.124 4.470 -0.000 0.000 0.201 109 S C -1.179 173.478 174.600 0.094 0.000 1.422 109 S CA -0.130 58.147 58.200 0.128 0.000 1.216 109 S CB 1.747 65.090 63.200 0.239 0.000 1.130 109 S HN 0.295 nan 8.310 nan 0.000 0.465 110 P HA -0.128 nan 4.420 nan 0.000 0.216 110 P C 1.508 178.751 177.300 -0.095 0.000 1.150 110 P CA 0.782 63.865 63.100 -0.029 0.000 0.843 110 P CB 0.130 31.794 31.700 -0.060 0.000 0.787 111 R N -1.052 119.364 120.500 -0.140 0.000 2.083 111 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 111 R C 1.884 177.995 176.300 -0.315 0.000 1.137 111 R CA 1.711 57.636 56.100 -0.292 0.000 0.951 111 R CB -0.859 29.224 30.300 -0.362 0.000 0.851 111 R HN 0.089 nan 8.270 nan 0.000 0.434 112 F N 0.869 120.834 119.950 0.024 0.000 2.367 112 F HA 0.032 4.559 4.527 -0.000 0.000 0.298 112 F C 2.387 178.275 175.800 0.147 0.000 1.094 112 F CA 0.885 58.946 58.000 0.102 0.000 1.409 112 F CB -0.114 38.907 39.000 0.036 0.000 1.064 112 F HN 0.104 nan 8.300 nan 0.000 0.528 113 Q N -0.250 119.666 119.800 0.194 0.000 2.050 113 Q HA -0.163 4.176 4.340 -0.000 0.000 0.202 113 Q C 2.367 178.420 176.000 0.089 0.000 0.980 113 Q CA 1.836 57.717 55.803 0.130 0.000 0.840 113 Q CB -0.512 28.270 28.738 0.073 0.000 0.898 113 Q HN 0.253 nan 8.270 nan 0.000 0.424 114 V N 0.498 120.432 119.914 0.034 0.000 2.427 114 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 114 V C 1.881 177.997 176.094 0.037 0.000 1.051 114 V CA 1.615 63.918 62.300 0.005 0.000 1.048 114 V CB -0.588 31.193 31.823 -0.070 0.000 0.666 114 V HN 0.337 nan 8.190 nan 0.000 0.456 115 F N 2.150 122.052 119.950 -0.079 0.000 2.126 115 F HA -0.096 4.430 4.527 -0.000 0.000 0.299 115 F C 2.157 177.980 175.800 0.040 0.000 1.096 115 F CA 1.864 59.836 58.000 -0.046 0.000 1.255 115 F CB -0.831 38.099 39.000 -0.117 0.000 0.997 115 F HN 0.135 nan 8.300 nan 0.000 0.479 116 G N -0.254 108.596 108.800 0.083 0.000 2.421 116 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 116 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 116 G C 1.808 176.639 174.900 -0.114 0.000 1.171 116 G CA 0.857 45.946 45.100 -0.020 0.000 0.775 116 G HN 0.634 nan 8.290 nan 0.000 0.543 117 A N 0.843 123.632 122.820 -0.052 0.000 1.930 117 A HA -0.017 4.302 4.320 -0.000 0.000 0.217 117 A C 2.102 179.635 177.584 -0.085 0.000 1.175 117 A CA 2.097 54.105 52.037 -0.048 0.000 0.627 117 A CB -0.354 18.639 19.000 -0.011 0.000 0.815 117 A HN 0.274 nan 8.150 nan 0.000 0.443 118 D N 0.064 120.393 120.400 -0.119 0.000 2.117 118 D HA -0.010 4.630 4.640 -0.000 0.000 0.198 118 D C 2.268 178.458 176.300 -0.183 0.000 0.982 118 D CA 1.514 55.443 54.000 -0.118 0.000 0.828 118 D CB -0.449 40.292 40.800 -0.098 0.000 0.967 118 D HN 0.391 nan 8.370 nan 0.000 0.464 119 A N 0.618 123.230 122.820 -0.347 0.000 1.902 119 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 119 A C 2.133 179.610 177.584 -0.179 0.000 1.181 119 A CA 1.740 53.571 52.037 -0.342 0.000 0.623 119 A CB -0.544 18.098 19.000 -0.598 0.000 0.818 119 A HN 0.181 nan 8.150 nan 0.000 0.443 120 M N -0.239 119.274 119.600 -0.145 0.000 2.296 120 M HA -0.039 4.441 4.480 -0.000 0.000 0.265 120 M C 1.744 178.009 176.300 -0.059 0.000 1.064 120 M CA 1.410 56.662 55.300 -0.080 0.000 1.109 120 M CB -0.367 32.199 32.600 -0.057 0.000 1.396 120 M HN 0.351 nan 8.290 nan 0.000 0.430 121 R N -0.204 120.259 120.500 -0.061 0.000 2.310 121 R HA 0.232 4.572 4.340 -0.000 0.000 0.202 121 R C 0.984 177.262 176.300 -0.037 0.000 0.933 121 R CA 0.282 56.358 56.100 -0.040 0.000 1.054 121 R CB -0.191 30.090 30.300 -0.032 0.000 0.985 121 R HN 0.451 nan 8.270 nan 0.000 0.489 122 G N 0.855 109.626 108.800 -0.049 0.000 2.557 122 G HA2 0.180 4.140 3.960 -0.000 0.000 0.302 122 G HA3 0.180 4.140 3.960 -0.000 0.000 0.302 122 G C -1.653 173.230 174.900 -0.029 0.000 1.311 122 G CA -0.955 44.122 45.100 -0.038 0.000 1.030 122 G HN -0.100 nan 8.290 nan 0.000 0.509 123 P HA 0.020 nan 4.420 nan 0.000 0.233 123 P C 0.991 178.284 177.300 -0.012 0.000 1.167 123 P CA 0.642 63.734 63.100 -0.012 0.000 0.770 123 P CB 0.423 32.119 31.700 -0.007 0.000 0.837 124 R N -0.961 119.530 120.500 -0.016 0.000 2.365 124 R HA 0.265 4.605 4.340 -0.000 0.000 0.223 124 R C 1.545 177.834 176.300 -0.018 0.000 0.899 124 R CA 0.466 56.559 56.100 -0.011 0.000 1.059 124 R CB -0.020 30.278 30.300 -0.003 0.000 1.086 124 R HN 0.127 nan 8.270 nan 0.000 0.522 125 G N 2.100 110.882 108.800 -0.029 0.000 2.634 125 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.309 125 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.309 125 G C 0.783 175.664 174.900 -0.031 0.000 1.265 125 G CA 0.451 45.533 45.100 -0.031 0.000 0.998 125 G HN 0.201 nan 8.290 nan 0.000 0.551 126 L N 0.721 121.932 121.223 -0.020 0.000 2.191 126 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 126 L C 3.274 180.140 176.870 -0.007 0.000 1.103 126 L CA 2.090 56.922 54.840 -0.014 0.000 0.769 126 L CB -0.611 41.441 42.059 -0.011 0.000 0.908 126 L HN 0.435 nan 8.230 nan 0.000 0.438 127 K N -0.280 120.117 120.400 -0.005 0.000 2.148 127 K HA 0.006 4.325 4.320 -0.000 0.000 0.204 127 K C 2.192 178.807 176.600 0.025 0.000 1.050 127 K CA 0.980 57.270 56.287 0.005 0.000 0.942 127 K CB -0.649 31.854 32.500 0.004 0.000 0.724 127 K HN 0.521 nan 8.250 nan 0.000 0.446 128 A N 0.567 123.395 122.820 0.012 0.000 1.968 128 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 128 A C 2.396 180.011 177.584 0.051 0.000 1.169 128 A CA 1.254 53.307 52.037 0.026 0.000 0.638 128 A CB -0.524 18.451 19.000 -0.042 0.000 0.812 128 A HN 0.214 nan 8.150 nan 0.000 0.446 129 V N -0.375 119.540 119.914 0.003 0.000 2.295 129 V HA 0.129 4.249 4.120 -0.000 0.000 0.246 129 V C 1.724 177.944 176.094 0.209 0.000 1.049 129 V CA 1.246 63.586 62.300 0.067 0.000 1.024 129 V CB -1.960 29.877 31.823 0.022 0.000 0.648 129 V HN 1.217 nan 8.190 nan 0.000 0.447 130 G N 0.488 109.343 108.800 0.091 0.000 2.855 130 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.352 130 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.352 130 G C -1.558 173.295 174.900 -0.078 0.000 1.415 130 G CA -0.032 45.079 45.100 0.019 0.000 0.871 130 G HN 0.354 nan 8.290 nan 0.000 0.543 131 P HA 0.229 nan 4.420 nan 0.000 0.262 131 P C 0.196 177.251 177.300 -0.408 0.000 1.304 131 P CA 0.707 63.569 63.100 -0.396 0.000 0.859 131 P CB 0.072 31.447 31.700 -0.542 0.000 1.310 132 Y N -1.500 118.801 120.300 0.001 0.000 2.481 132 Y HA 0.129 4.679 4.550 -0.000 0.000 0.247 132 Y C 2.176 178.059 175.900 -0.029 0.000 1.151 132 Y CA -0.197 57.881 58.100 -0.037 0.000 1.238 132 Y CB -0.333 38.002 38.460 -0.208 0.000 1.179 132 Y HN -0.279 nan 8.280 nan 0.000 0.524 133 V N -1.237 118.761 119.914 0.141 0.000 2.548 133 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 133 V C 2.080 178.244 176.094 0.117 0.000 1.055 133 V CA 1.435 63.824 62.300 0.148 0.000 1.065 133 V CB -0.627 31.352 31.823 0.261 0.000 0.681 133 V HN 0.223 nan 8.190 nan 0.000 0.462 134 V N 1.247 121.225 119.914 0.108 0.000 2.287 134 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 134 V C 2.814 178.957 176.094 0.083 0.000 1.053 134 V CA 2.636 64.990 62.300 0.089 0.000 1.027 134 V CB -1.373 30.494 31.823 0.073 0.000 0.646 134 V HN 0.811 nan 8.190 nan 0.000 0.447 135 T N -1.852 112.765 114.554 0.106 0.000 2.915 135 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 135 T C 1.737 176.458 174.700 0.036 0.000 1.071 135 T CA 1.220 63.373 62.100 0.088 0.000 1.132 135 T CB -0.253 68.713 68.868 0.163 0.000 0.878 135 T HN 0.488 nan 8.240 nan 0.000 0.479 136 K N 1.249 121.638 120.400 -0.017 0.000 2.076 136 K HA 0.302 4.622 4.320 -0.000 0.000 0.204 136 K C 2.637 179.253 176.600 0.028 0.000 1.051 136 K CA 1.071 57.289 56.287 -0.115 0.000 0.949 136 K CB -0.180 32.033 32.500 -0.477 0.000 0.726 136 K HN 0.425 nan 8.250 nan 0.000 0.443 137 A N 1.756 124.628 122.820 0.087 0.000 2.095 137 A HA 0.102 4.422 4.320 -0.000 0.000 0.212 137 A C 1.223 178.862 177.584 0.092 0.000 1.162 137 A CA -0.134 51.980 52.037 0.128 0.000 0.753 137 A CB -0.331 18.762 19.000 0.155 0.000 0.840 137 A HN 0.311 nan 8.150 nan 0.000 0.468 138 M N -1.876 117.768 119.600 0.074 0.000 2.226 138 M HA 0.565 5.044 4.480 -0.000 0.000 0.324 138 M C 0.955 177.293 176.300 0.064 0.000 1.112 138 M CA 0.352 55.690 55.300 0.064 0.000 1.176 138 M CB 0.701 33.334 32.600 0.054 0.000 1.430 138 M HN 0.019 nan 8.290 nan 0.000 0.462 139 A N 1.553 124.409 122.820 0.061 0.000 2.019 139 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 139 A C 1.990 179.616 177.584 0.069 0.000 1.164 139 A CA 1.874 53.950 52.037 0.065 0.000 0.644 139 A CB -0.975 18.060 19.000 0.059 0.000 0.805 139 A HN 0.996 nan 8.150 nan 0.000 0.449 140 S N -0.895 114.844 115.700 0.066 0.000 2.660 140 S HA 0.300 4.769 4.470 -0.000 0.000 0.227 140 S C 1.609 176.247 174.600 0.063 0.000 0.948 140 S CA 0.535 58.779 58.200 0.073 0.000 0.948 140 S CB -0.276 62.969 63.200 0.075 0.000 0.779 140 S HN 0.562 nan 8.310 nan 0.000 0.487 141 G N 2.067 110.901 108.800 0.057 0.000 2.469 141 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 141 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 141 G C 1.281 176.211 174.900 0.049 0.000 1.150 141 G CA 1.191 46.319 45.100 0.045 0.000 0.763 141 G HN 0.482 nan 8.290 nan 0.000 0.561 142 V N 1.706 121.657 119.914 0.061 0.000 2.343 142 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 142 V C 3.278 179.418 176.094 0.077 0.000 1.051 142 V CA 2.443 64.786 62.300 0.071 0.000 1.036 142 V CB -0.429 31.440 31.823 0.076 0.000 0.654 142 V HN 0.635 nan 8.190 nan 0.000 0.451 143 S N 0.927 116.669 115.700 0.071 0.000 2.371 143 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 143 S C 2.154 176.791 174.600 0.062 0.000 1.029 143 S CA 1.158 59.397 58.200 0.065 0.000 0.978 143 S CB -0.576 62.662 63.200 0.064 0.000 0.833 143 S HN 0.541 nan 8.310 nan 0.000 0.466 144 A N 0.904 123.753 122.820 0.048 0.000 1.908 144 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 144 A C 2.415 180.002 177.584 0.005 0.000 1.181 144 A CA 1.653 53.700 52.037 0.018 0.000 0.627 144 A CB -1.516 17.485 19.000 0.001 0.000 0.818 144 A HN 0.702 nan 8.150 nan 0.000 0.445 145 C N -1.341 117.974 119.300 0.026 0.000 2.500 145 C HA 0.168 4.628 4.460 -0.000 0.000 0.273 145 C C 2.302 177.362 174.990 0.117 0.000 1.428 145 C CA 0.647 59.683 59.018 0.029 0.000 1.766 145 C CB -1.229 26.532 27.740 0.036 0.000 1.817 145 C HN 0.536 nan 8.230 nan 0.000 0.543 146 L N 0.448 121.778 121.223 0.177 0.000 2.316 146 L HA 0.240 4.580 4.340 -0.000 0.000 0.207 146 L C 2.630 179.677 176.870 0.294 0.000 1.070 146 L CA 1.528 56.567 54.840 0.332 0.000 0.820 146 L CB -1.034 41.195 42.059 0.283 0.000 0.992 146 L HN 0.173 nan 8.230 nan 0.000 0.466 147 A N -1.078 121.839 122.820 0.161 0.000 1.933 147 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 147 A C 2.329 179.992 177.584 0.131 0.000 1.175 147 A CA 2.321 54.443 52.037 0.142 0.000 0.628 147 A CB -0.891 18.162 19.000 0.089 0.000 0.814 147 A HN 0.381 nan 8.150 nan 0.000 0.444 148 T N 0.348 114.942 114.554 0.067 0.000 2.639 148 T HA -0.066 4.283 4.350 -0.000 0.000 0.261 148 T C -0.157 174.559 174.700 0.028 0.000 1.053 148 T CA 1.733 63.846 62.100 0.022 0.000 1.158 148 T CB -0.949 67.876 68.868 -0.072 0.000 0.863 148 T HN 0.471 nan 8.240 nan 0.000 0.413 149 P HA -0.014 nan 4.420 nan 0.000 0.220 149 P C 0.787 178.006 177.300 -0.136 0.000 1.148 149 P CA 1.090 64.139 63.100 -0.085 0.000 0.803 149 P CB -0.237 31.398 31.700 -0.109 0.000 0.782 150 F N 0.417 120.418 119.950 0.086 0.000 2.797 150 F HA 0.202 4.729 4.527 -0.000 0.000 0.302 150 F C 1.025 176.884 175.800 0.098 0.000 1.130 150 F CA 0.029 58.087 58.000 0.097 0.000 1.387 150 F CB -0.598 38.384 39.000 -0.031 0.000 1.107 150 F HN -0.159 nan 8.300 nan 0.000 0.577 151 K N 0.602 121.105 120.400 0.171 0.000 3.150 151 K HA -0.189 4.131 4.320 -0.000 0.000 0.267 151 K C -0.484 176.174 176.600 0.098 0.000 1.028 151 K CA 0.042 56.380 56.287 0.086 0.000 0.753 151 K CB -1.845 30.633 32.500 -0.037 0.000 1.288 151 K HN 0.110 nan 8.250 nan 0.000 0.473 152 I N 1.118 121.807 120.570 0.198 0.000 2.496 152 I HA 0.025 4.195 4.170 -0.000 0.000 0.285 152 I C 1.803 178.103 176.117 0.305 0.000 1.080 152 I CA 0.425 61.852 61.300 0.212 0.000 1.404 152 I CB 0.636 38.748 38.000 0.188 0.000 1.403 152 I HN 0.278 nan 8.210 nan 0.000 0.539 153 H N 3.268 122.381 119.070 0.072 0.000 2.885 153 H HA 0.167 4.723 4.556 -0.000 0.000 0.260 153 H C 1.354 176.701 175.328 0.032 0.000 0.985 153 H CA 0.039 56.112 56.048 0.043 0.000 1.210 153 H CB 1.390 31.173 29.762 0.035 0.000 1.466 153 H HN 0.764 nan 8.280 nan 0.000 0.493 154 G N 0.769 109.659 108.800 0.149 0.000 2.735 154 G HA2 0.145 4.105 3.960 -0.000 0.000 0.192 154 G HA3 0.145 4.105 3.960 -0.000 0.000 0.192 154 G C -0.134 174.784 174.900 0.029 0.000 1.547 154 G CA -0.362 44.779 45.100 0.069 0.000 1.080 154 G HN 0.072 nan 8.290 nan 0.000 0.569 155 V N 0.965 120.866 119.914 -0.022 0.000 2.872 155 V HA 0.343 4.463 4.120 -0.000 0.000 0.307 155 V C -0.318 175.689 176.094 -0.146 0.000 1.072 155 V CA 0.217 62.463 62.300 -0.090 0.000 1.148 155 V CB 1.240 32.953 31.823 -0.183 0.000 0.954 155 V HN 0.823 nan 8.190 nan 0.000 0.490 156 N N 4.802 123.405 118.700 -0.162 0.000 2.599 156 N HA 0.440 5.180 4.740 -0.000 0.000 0.283 156 N C -1.386 174.113 175.510 -0.019 0.000 1.160 156 N CA -0.465 52.522 53.050 -0.106 0.000 0.869 156 N CB 1.130 39.624 38.487 0.012 0.000 1.448 156 N HN 0.664 nan 8.380 nan 0.000 0.535 157 Y N -0.906 119.417 120.300 0.038 0.000 2.779 157 Y HA 0.686 5.236 4.550 -0.000 0.000 0.340 157 Y C -1.219 174.703 175.900 0.036 0.000 1.252 157 Y CA -1.161 56.958 58.100 0.032 0.000 1.072 157 Y CB 0.295 38.771 38.460 0.025 0.000 1.343 157 Y HN 0.126 nan 8.280 nan 0.000 0.450 158 S N 1.183 117.082 115.700 0.331 0.000 2.537 158 S HA 0.764 5.234 4.470 -0.000 0.000 0.301 158 S C -0.760 173.983 174.600 0.237 0.000 1.092 158 S CA -0.706 57.626 58.200 0.221 0.000 1.048 158 S CB 0.961 64.244 63.200 0.138 0.000 1.053 158 S HN 0.523 nan 8.310 nan 0.000 0.501 159 I N 2.408 123.095 120.570 0.196 0.000 2.460 159 I HA 0.475 4.645 4.170 -0.000 0.000 0.298 159 I C -0.030 176.162 176.117 0.125 0.000 0.989 159 I CA -0.425 60.961 61.300 0.144 0.000 1.173 159 I CB 1.968 40.066 38.000 0.164 0.000 1.338 159 I HN 0.661 nan 8.210 nan 0.000 0.456 160 S N 2.355 118.115 115.700 0.100 0.000 2.538 160 S HA 0.698 5.168 4.470 -0.000 0.000 0.288 160 S C -0.316 174.355 174.600 0.118 0.000 1.108 160 S CA -0.510 57.758 58.200 0.114 0.000 0.971 160 S CB 1.769 65.028 63.200 0.097 0.000 1.041 160 S HN 0.682 nan 8.310 nan 0.000 0.483 161 S N 0.520 116.320 115.700 0.166 0.000 2.665 161 S HA 0.627 5.096 4.470 -0.000 0.000 0.226 161 S C 0.644 175.372 174.600 0.214 0.000 0.773 161 S CA -0.114 58.203 58.200 0.194 0.000 1.041 161 S CB -0.635 62.751 63.200 0.310 0.000 1.570 161 S HN 2.331 nan 8.310 nan 0.000 0.470 162 A N 0.903 123.844 122.820 0.201 0.000 5.391 162 A HA -0.353 3.967 4.320 -0.000 0.000 0.315 162 A C 1.763 179.472 177.584 0.207 0.000 1.874 162 A CA 1.326 53.505 52.037 0.236 0.000 0.714 162 A CB -2.331 16.868 19.000 0.332 0.000 1.335 162 A HN 1.572 nan 8.150 nan 0.000 0.382 163 C N -0.005 119.442 119.300 0.245 0.000 2.409 163 C HA 0.267 4.727 4.460 -0.000 0.000 0.284 163 C C 2.818 177.909 174.990 0.168 0.000 1.354 163 C CA 1.400 60.578 59.018 0.268 0.000 1.787 163 C CB -2.011 25.988 27.740 0.430 0.000 1.900 163 C HN 1.549 nan 8.230 nan 0.000 0.520 164 A N 0.214 123.119 122.820 0.141 0.000 2.275 164 A HA 0.121 4.441 4.320 -0.000 0.000 0.212 164 A C 1.937 179.568 177.584 0.079 0.000 1.201 164 A CA 0.980 53.039 52.037 0.036 0.000 0.843 164 A CB -0.658 18.343 19.000 0.001 0.000 0.873 164 A HN 0.479 nan 8.150 nan 0.000 0.492 165 T N 1.335 115.982 114.554 0.155 0.000 2.565 165 T HA -0.231 4.119 4.350 -0.000 0.000 0.265 165 T C 2.218 176.992 174.700 0.123 0.000 1.082 165 T CA 2.560 64.762 62.100 0.171 0.000 1.173 165 T CB -0.398 68.550 68.868 0.133 0.000 0.864 165 T HN 0.782 nan 8.240 nan 0.000 0.425 166 S N 1.097 116.832 115.700 0.059 0.000 2.527 166 S HA 0.340 4.810 4.470 -0.000 0.000 0.222 166 S C 2.205 176.791 174.600 -0.022 0.000 0.985 166 S CA 0.553 58.766 58.200 0.021 0.000 0.921 166 S CB -0.233 62.966 63.200 -0.002 0.000 0.772 166 S HN 0.521 nan 8.310 nan 0.000 0.529 167 A N 2.307 125.096 122.820 -0.050 0.000 1.897 167 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 167 A C 2.079 179.608 177.584 -0.091 0.000 1.181 167 A CA 1.075 53.049 52.037 -0.106 0.000 0.620 167 A CB -0.925 17.985 19.000 -0.151 0.000 0.821 167 A HN 0.588 nan 8.150 nan 0.000 0.443 168 H N -0.693 118.415 119.070 0.063 0.000 2.421 168 H HA -0.127 4.429 4.556 -0.000 0.000 0.298 168 H C 2.342 177.664 175.328 -0.010 0.000 1.087 168 H CA 1.351 57.453 56.048 0.090 0.000 1.330 168 H CB -0.562 29.288 29.762 0.147 0.000 1.388 168 H HN 0.534 nan 8.280 nan 0.000 0.526 169 C N 0.513 119.877 119.300 0.106 0.000 2.432 169 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 169 C C 3.001 177.954 174.990 -0.063 0.000 1.249 169 C CA 0.455 59.498 59.018 0.043 0.000 1.725 169 C CB -1.043 26.719 27.740 0.037 0.000 2.028 169 C HN 0.432 nan 8.230 nan 0.000 0.477 170 I N 1.120 121.619 120.570 -0.118 0.000 2.226 170 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 170 I C 2.715 178.633 176.117 -0.331 0.000 1.100 170 I CA 1.805 62.993 61.300 -0.187 0.000 1.374 170 I CB -0.880 37.016 38.000 -0.173 0.000 1.057 170 I HN 0.448 nan 8.210 nan 0.000 0.413 171 G N 0.307 108.746 108.800 -0.601 0.000 2.418 171 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 171 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 171 G C 1.444 175.962 174.900 -0.636 0.000 1.158 171 G CA 0.807 45.083 45.100 -1.373 0.000 0.771 171 G HN 0.418 nan 8.290 nan 0.000 0.545 172 N N 0.793 119.347 118.700 -0.244 0.000 2.244 172 N HA -0.058 4.682 4.740 -0.000 0.000 0.183 172 N C 2.533 178.022 175.510 -0.036 0.000 1.016 172 N CA 0.880 53.926 53.050 -0.006 0.000 0.866 172 N CB -0.086 38.474 38.487 0.121 0.000 0.980 172 N HN 0.262 nan 8.380 nan 0.000 0.430 173 A N 0.790 123.550 122.820 -0.100 0.000 1.877 173 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 173 A C 2.392 179.914 177.584 -0.103 0.000 1.186 173 A CA 1.182 53.154 52.037 -0.108 0.000 0.620 173 A CB -0.826 18.094 19.000 -0.133 0.000 0.822 173 A HN 0.175 nan 8.150 nan 0.000 0.443 174 V N 0.212 120.048 119.914 -0.130 0.000 2.332 174 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 174 V C 2.417 178.495 176.094 -0.027 0.000 1.055 174 V CA 2.420 64.668 62.300 -0.087 0.000 1.038 174 V CB -0.895 30.864 31.823 -0.105 0.000 0.651 174 V HN 0.658 nan 8.190 nan 0.000 0.450 175 E N -0.624 119.577 120.200 0.003 0.000 2.110 175 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 175 E C 2.392 179.010 176.600 0.030 0.000 0.988 175 E CA 1.080 57.512 56.400 0.054 0.000 0.804 175 E CB -0.159 29.605 29.700 0.107 0.000 0.745 175 E HN 0.561 nan 8.360 nan 0.000 0.458 176 Q N 0.225 120.031 119.800 0.009 0.000 2.084 176 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 176 Q C 2.263 178.251 176.000 -0.020 0.000 0.978 176 Q CA 1.043 56.845 55.803 -0.002 0.000 0.844 176 Q CB -0.216 28.505 28.738 -0.027 0.000 0.898 176 Q HN 0.288 nan 8.270 nan 0.000 0.426 177 I N 1.134 121.681 120.570 -0.038 0.000 2.202 177 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 177 I C 2.382 178.489 176.117 -0.017 0.000 1.091 177 I CA 1.337 62.611 61.300 -0.043 0.000 1.368 177 I CB -0.552 37.412 38.000 -0.060 0.000 1.058 177 I HN 0.203 nan 8.210 nan 0.000 0.410 178 Q N -0.241 119.559 119.800 -0.001 0.000 2.170 178 Q HA -0.132 4.208 4.340 -0.000 0.000 0.203 178 Q C 2.143 178.152 176.000 0.016 0.000 0.976 178 Q CA 1.206 57.018 55.803 0.014 0.000 0.858 178 Q CB -0.237 28.520 28.738 0.032 0.000 0.907 178 Q HN 0.469 nan 8.270 nan 0.000 0.433 179 L N -0.735 120.498 121.223 0.017 0.000 2.552 179 L HA 0.059 4.399 4.340 -0.000 0.000 0.227 179 L C 1.188 178.064 176.870 0.010 0.000 1.146 179 L CA 0.456 55.307 54.840 0.018 0.000 0.858 179 L CB -0.182 41.892 42.059 0.024 0.000 0.969 179 L HN 0.442 nan 8.230 nan 0.000 0.451 180 G N 0.099 108.900 108.800 0.002 0.000 2.148 180 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.254 180 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.254 180 G C 0.982 175.879 174.900 -0.005 0.000 0.981 180 G CA 0.560 45.658 45.100 -0.002 0.000 0.670 180 G HN 0.397 nan 8.290 nan 0.000 0.528 181 K N -0.885 119.512 120.400 -0.006 0.000 2.314 181 K HA 0.127 4.447 4.320 -0.000 0.000 0.198 181 K C 0.898 177.487 176.600 -0.019 0.000 1.045 181 K CA 0.703 56.988 56.287 -0.003 0.000 0.988 181 K CB 0.117 32.623 32.500 0.009 0.000 0.783 181 K HN 0.408 nan 8.250 nan 0.000 0.484 182 Q N -0.223 119.552 119.800 -0.042 0.000 2.389 182 Q HA 0.141 4.481 4.340 -0.000 0.000 0.277 182 Q C -0.547 175.381 176.000 -0.121 0.000 1.082 182 Q CA -0.343 55.415 55.803 -0.076 0.000 0.810 182 Q CB 2.039 30.725 28.738 -0.087 0.000 1.374 182 Q HN -0.045 nan 8.270 nan 0.000 0.422 183 D N 0.347 120.632 120.400 -0.190 0.000 2.277 183 D HA 0.243 4.883 4.640 -0.000 0.000 0.209 183 D C 0.272 176.332 176.300 -0.401 0.000 0.970 183 D CA 0.845 54.639 54.000 -0.342 0.000 0.874 183 D CB 1.197 41.651 40.800 -0.577 0.000 0.982 183 D HN 0.366 nan 8.370 nan 0.000 0.504 184 I N 0.727 121.090 120.570 -0.345 0.000 2.582 184 I HA 0.246 4.416 4.170 -0.000 0.000 0.292 184 I C -1.108 174.803 176.117 -0.344 0.000 1.066 184 I CA -0.784 60.290 61.300 -0.378 0.000 1.053 184 I CB 3.264 41.001 38.000 -0.439 0.000 1.241 184 I HN -0.408 nan 8.210 nan 0.000 0.421 185 V N 5.897 125.588 119.914 -0.371 0.000 2.525 185 V HA 0.392 4.512 4.120 -0.000 0.000 0.299 185 V C -0.615 175.251 176.094 -0.380 0.000 1.034 185 V CA -0.634 61.490 62.300 -0.294 0.000 0.863 185 V CB 1.628 33.343 31.823 -0.181 0.000 0.999 185 V HN 0.363 nan 8.190 nan 0.000 0.423 186 F N 3.399 123.251 119.950 -0.163 0.000 2.467 186 F HA 0.635 5.162 4.527 -0.000 0.000 0.362 186 F C 0.757 176.461 175.800 -0.161 0.000 1.090 186 F CA 0.077 57.963 58.000 -0.190 0.000 1.202 186 F CB 0.943 39.789 39.000 -0.257 0.000 1.113 186 F HN 0.574 nan 8.300 nan 0.000 0.541 187 A N 2.469 125.287 122.820 -0.002 0.000 2.393 187 A HA 0.935 5.255 4.320 -0.000 0.000 0.306 187 A C -0.025 177.537 177.584 -0.036 0.000 1.050 187 A CA 0.104 52.119 52.037 -0.037 0.000 0.724 187 A CB 1.471 20.421 19.000 -0.083 0.000 1.248 187 A HN 1.043 nan 8.150 nan 0.000 0.424 188 G N -0.263 108.523 108.800 -0.024 0.000 2.452 188 G HA2 0.734 4.694 3.960 -0.000 0.000 0.224 188 G HA3 0.734 4.694 3.960 -0.000 0.000 0.224 188 G C -0.179 174.723 174.900 0.003 0.000 1.208 188 G CA 0.409 45.494 45.100 -0.025 0.000 0.946 188 G HN 2.297 nan 8.290 nan 0.000 0.481 189 G N -2.122 106.686 108.800 0.013 0.000 2.349 189 G HA2 0.808 4.768 3.960 -0.000 0.000 0.294 189 G HA3 0.808 4.768 3.960 -0.000 0.000 0.294 189 G C -0.581 174.356 174.900 0.062 0.000 1.380 189 G CA 0.600 45.725 45.100 0.042 0.000 0.811 189 G HN 2.020 nan 8.290 nan 0.000 0.519 190 G N -1.254 107.599 108.800 0.088 0.000 2.692 190 G HA2 0.678 4.637 3.960 -0.000 0.000 0.291 190 G HA3 0.678 4.637 3.960 -0.000 0.000 0.291 190 G C -1.929 173.050 174.900 0.131 0.000 1.423 190 G CA -0.366 44.814 45.100 0.134 0.000 0.843 190 G HN 0.671 nan 8.290 nan 0.000 0.486 191 E N -0.193 120.117 120.200 0.184 0.000 2.311 191 E HA 0.326 4.676 4.350 -0.000 0.000 0.281 191 E C -0.211 176.519 176.600 0.216 0.000 0.905 191 E CA -0.674 55.815 56.400 0.148 0.000 0.778 191 E CB 1.482 31.235 29.700 0.089 0.000 1.240 191 E HN 0.707 nan 8.360 nan 0.000 0.410 192 E N 3.186 123.473 120.200 0.146 0.000 2.371 192 E HA 0.357 4.707 4.350 -0.000 0.000 0.257 192 E C -0.769 175.898 176.600 0.113 0.000 1.134 192 E CA -0.764 55.718 56.400 0.136 0.000 0.919 192 E CB 1.094 30.826 29.700 0.053 0.000 1.025 192 E HN 0.256 nan 8.360 nan 0.000 0.438 193 L N 2.569 123.839 121.223 0.080 0.000 2.343 193 L HA 0.455 4.795 4.340 -0.000 0.000 0.278 193 L C -1.339 175.581 176.870 0.084 0.000 0.996 193 L CA -0.370 54.483 54.840 0.022 0.000 0.831 193 L CB 0.929 42.869 42.059 -0.198 0.000 1.232 193 L HN 0.921 nan 8.230 nan 0.000 0.413 194 C N 2.265 121.668 119.300 0.172 0.000 3.241 194 C HA 0.416 4.876 4.460 -0.000 0.000 0.348 194 C C 1.023 176.099 174.990 0.143 0.000 1.180 194 C CA -1.015 58.086 59.018 0.138 0.000 1.273 194 C CB 0.595 28.284 27.740 -0.085 0.000 1.620 194 C HN 1.065 nan 8.230 nan 0.000 0.510 195 W N 1.091 122.491 121.300 0.168 0.000 2.392 195 W HA 0.013 4.673 4.660 -0.000 0.000 0.279 195 W C 0.989 177.562 176.519 0.090 0.000 1.225 195 W CA 1.816 59.222 57.345 0.103 0.000 1.233 195 W CB -0.923 28.560 29.460 0.038 0.000 1.122 195 W HN 0.871 nan 8.180 nan 0.000 0.561 196 E N 0.828 120.403 120.200 -1.041 0.000 2.085 196 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 196 E C 2.337 178.758 176.600 -0.297 0.000 0.994 196 E CA 2.531 58.334 56.400 -0.994 0.000 0.801 196 E CB -0.618 28.532 29.700 -0.916 0.000 0.743 196 E HN 0.359 nan 8.360 nan 0.000 0.453 197 M N -0.593 118.932 119.600 -0.125 0.000 2.325 197 M HA 0.112 4.592 4.480 -0.000 0.000 0.265 197 M C 2.072 178.507 176.300 0.225 0.000 1.094 197 M CA 1.154 56.491 55.300 0.062 0.000 1.161 197 M CB 0.130 32.807 32.600 0.129 0.000 1.358 197 M HN 0.149 nan 8.290 nan 0.000 0.446 198 A N 0.335 123.300 122.820 0.242 0.000 1.940 198 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 198 A C 2.313 180.059 177.584 0.270 0.000 1.176 198 A CA 1.810 54.032 52.037 0.308 0.000 0.631 198 A CB -1.730 17.421 19.000 0.251 0.000 0.814 198 A HN 0.870 nan 8.150 nan 0.000 0.446 199 C N -0.597 118.842 119.300 0.232 0.000 2.432 199 C HA -0.009 4.451 4.460 -0.000 0.000 0.280 199 C C 2.119 177.179 174.990 0.115 0.000 1.353 199 C CA 0.933 60.070 59.018 0.197 0.000 1.766 199 C CB -1.466 26.448 27.740 0.289 0.000 1.924 199 C HN 0.656 nan 8.230 nan 0.000 0.509 200 E N 0.499 120.736 120.200 0.062 0.000 2.106 200 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 200 E C 1.752 178.261 176.600 -0.152 0.000 0.984 200 E CA 1.343 57.696 56.400 -0.080 0.000 0.806 200 E CB -0.319 29.257 29.700 -0.207 0.000 0.750 200 E HN 0.752 nan 8.360 nan 0.000 0.458 201 F N 1.356 121.301 119.950 -0.009 0.000 2.146 201 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 201 F C 2.243 177.983 175.800 -0.100 0.000 1.096 201 F CA 1.136 59.095 58.000 -0.069 0.000 1.275 201 F CB -0.214 38.723 39.000 -0.106 0.000 1.008 201 F HN -0.032 nan 8.300 nan 0.000 0.480 202 D N 0.194 120.656 120.400 0.103 0.000 2.144 202 D HA -0.129 4.511 4.640 -0.000 0.000 0.199 202 D C 2.212 178.526 176.300 0.022 0.000 0.984 202 D CA 1.182 55.200 54.000 0.030 0.000 0.834 202 D CB -0.220 40.605 40.800 0.042 0.000 0.955 202 D HN 0.174 nan 8.370 nan 0.000 0.465 203 A N 0.596 123.432 122.820 0.027 0.000 2.067 203 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 203 A C 2.174 179.764 177.584 0.010 0.000 1.158 203 A CA 1.516 53.563 52.037 0.017 0.000 0.661 203 A CB -0.721 18.289 19.000 0.017 0.000 0.801 203 A HN 0.501 nan 8.150 nan 0.000 0.452 204 M N -3.176 116.425 119.600 0.002 0.000 2.431 204 M HA 0.454 4.934 4.480 -0.000 0.000 0.237 204 M C 1.033 177.348 176.300 0.025 0.000 1.130 204 M CA 0.745 56.053 55.300 0.013 0.000 1.002 204 M CB 0.143 32.743 32.600 0.000 0.000 1.524 204 M HN 0.575 nan 8.290 nan 0.000 0.482 205 G N 0.667 109.476 108.800 0.015 0.000 2.136 205 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.242 205 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.242 205 G C 0.782 175.682 174.900 0.001 0.000 0.989 205 G CA 0.344 45.450 45.100 0.009 0.000 0.682 205 G HN 0.758 nan 8.290 nan 0.000 0.522 206 A N -0.859 121.953 122.820 -0.014 0.000 2.123 206 A HA 0.643 4.963 4.320 -0.000 0.000 0.214 206 A C 1.258 178.685 177.584 -0.261 0.000 1.152 206 A CA 0.826 52.840 52.037 -0.037 0.000 0.728 206 A CB 0.105 19.158 19.000 0.088 0.000 0.814 206 A HN 0.648 nan 8.150 nan 0.000 0.464 207 L N -0.341 120.706 121.223 -0.293 0.000 2.344 207 L HA 0.357 4.697 4.340 -0.000 0.000 0.272 207 L C 0.656 177.434 176.870 -0.154 0.000 1.035 207 L CA -0.633 53.976 54.840 -0.385 0.000 0.807 207 L CB 1.604 43.469 42.059 -0.323 0.000 1.237 207 L HN 0.130 nan 8.230 nan 0.000 0.442 208 S N 0.027 115.671 115.700 -0.094 0.000 2.533 208 S HA 0.103 4.573 4.470 -0.000 0.000 0.282 208 S C 0.799 175.391 174.600 -0.013 0.000 1.304 208 S CA 0.133 58.345 58.200 0.020 0.000 1.063 208 S CB 0.345 63.606 63.200 0.100 0.000 0.881 208 S HN 0.819 nan 8.310 nan 0.000 0.493 209 T N 1.634 116.169 114.554 -0.032 0.000 2.986 209 T HA 0.335 4.685 4.350 -0.000 0.000 0.264 209 T C 0.922 175.527 174.700 -0.159 0.000 0.964 209 T CA -0.387 61.646 62.100 -0.112 0.000 0.895 209 T CB -0.060 68.736 68.868 -0.120 0.000 1.163 209 T HN 0.587 nan 8.240 nan 0.000 0.517 210 K N 0.149 120.422 120.400 -0.212 0.000 2.404 210 K HA 0.242 4.562 4.320 -0.000 0.000 0.194 210 K C -0.285 175.942 176.600 -0.621 0.000 1.023 210 K CA 0.269 56.285 56.287 -0.452 0.000 1.094 210 K CB 0.200 32.327 32.500 -0.623 0.000 0.841 210 K HN 0.420 nan 8.250 nan 0.000 0.523 211 Y N -0.252 120.033 120.300 -0.025 0.000 2.706 211 Y HA 0.197 4.747 4.550 -0.000 0.000 0.255 211 Y C 0.836 176.744 175.900 0.013 0.000 1.163 211 Y CA -0.694 57.404 58.100 -0.003 0.000 1.174 211 Y CB 0.094 38.559 38.460 0.010 0.000 1.200 211 Y HN -0.004 nan 8.280 nan 0.000 0.544 212 N N 0.541 119.287 118.700 0.077 0.000 2.289 212 N HA -0.149 4.591 4.740 -0.000 0.000 0.184 212 N C 0.816 176.418 175.510 0.154 0.000 1.016 212 N CA 1.391 54.518 53.050 0.128 0.000 0.872 212 N CB 0.052 38.581 38.487 0.069 0.000 0.973 212 N HN 0.410 nan 8.380 nan 0.000 0.433 213 D N -0.422 120.027 120.400 0.082 0.000 2.347 213 D HA -0.011 4.628 4.640 -0.000 0.000 0.215 213 D C 0.415 176.749 176.300 0.057 0.000 0.976 213 D CA 0.764 54.786 54.000 0.037 0.000 0.884 213 D CB 0.084 40.889 40.800 0.007 0.000 0.915 213 D HN 0.311 nan 8.370 nan 0.000 0.526 214 T N -2.480 112.139 114.554 0.109 0.000 3.418 214 T HA 0.332 4.682 4.350 -0.000 0.000 0.315 214 T C -2.377 172.394 174.700 0.118 0.000 1.447 214 T CA -1.608 60.553 62.100 0.102 0.000 1.641 214 T CB 1.747 70.680 68.868 0.108 0.000 0.904 214 T HN -0.285 nan 8.240 nan 0.000 0.640 215 P HA -0.093 nan 4.420 nan 0.000 0.217 215 P C 1.337 178.691 177.300 0.089 0.000 1.148 215 P CA 1.091 64.274 63.100 0.138 0.000 0.828 215 P CB 0.153 31.958 31.700 0.175 0.000 0.783 216 E N -0.550 119.687 120.200 0.063 0.000 2.409 216 E HA -0.106 4.244 4.350 -0.000 0.000 0.198 216 E C 1.157 177.748 176.600 -0.015 0.000 1.024 216 E CA 0.650 57.067 56.400 0.029 0.000 0.861 216 E CB -0.132 29.582 29.700 0.024 0.000 0.788 216 E HN 0.292 nan 8.360 nan 0.000 0.521 217 K N -0.316 120.063 120.400 -0.036 0.000 2.358 217 K HA 0.212 4.532 4.320 -0.000 0.000 0.197 217 K C 1.501 177.909 176.600 -0.320 0.000 1.025 217 K CA 0.224 56.422 56.287 -0.148 0.000 1.104 217 K CB 0.757 33.177 32.500 -0.133 0.000 0.855 217 K HN 0.005 nan 8.250 nan 0.000 0.531 218 A N 1.229 123.957 122.820 -0.154 0.000 1.897 218 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 218 A C 1.440 178.943 177.584 -0.134 0.000 1.181 218 A CA 0.954 52.915 52.037 -0.126 0.000 0.620 218 A CB -0.074 18.988 19.000 0.104 0.000 0.821 218 A HN 0.170 nan 8.150 nan 0.000 0.443 219 S N 0.503 116.158 115.700 -0.075 0.000 2.430 219 S HA 0.467 4.937 4.470 -0.000 0.000 0.289 219 S C 0.257 174.796 174.600 -0.100 0.000 1.143 219 S CA -0.652 57.517 58.200 -0.051 0.000 1.067 219 S CB -0.031 63.164 63.200 -0.008 0.000 0.964 219 S HN 0.508 nan 8.310 nan 0.000 0.485 220 R N 2.626 123.060 120.500 -0.111 0.000 2.533 220 R HA 0.162 4.502 4.340 -0.000 0.000 0.268 220 R C -0.843 175.389 176.300 -0.115 0.000 1.303 220 R CA -0.611 55.419 56.100 -0.117 0.000 1.429 220 R CB -1.075 29.128 30.300 -0.162 0.000 1.361 220 R HN 0.458 nan 8.270 nan 0.000 0.745 221 T N 2.051 116.488 114.554 -0.196 0.000 2.891 221 T HA -0.053 4.296 4.350 -0.000 0.000 0.296 221 T C -0.029 174.451 174.700 -0.367 0.000 1.025 221 T CA 1.054 62.908 62.100 -0.409 0.000 1.149 221 T CB -0.111 68.379 68.868 -0.630 0.000 1.007 221 T HN 0.515 nan 8.240 nan 0.000 0.528 222 Y N -1.257 119.047 120.300 0.007 0.000 4.894 222 Y HA -0.216 4.334 4.550 -0.000 0.000 0.270 222 Y C 0.689 176.592 175.900 0.005 0.000 0.930 222 Y CA 0.447 58.552 58.100 0.009 0.000 1.814 222 Y CB -2.279 36.185 38.460 0.007 0.000 1.235 222 Y HN 0.774 nan 8.280 nan 0.000 0.480 223 D N 0.581 121.041 120.400 0.100 0.000 2.345 223 D HA 0.562 5.202 4.640 -0.000 0.000 0.247 223 D C 1.279 177.604 176.300 0.041 0.000 1.108 223 D CA 0.762 54.806 54.000 0.074 0.000 0.894 223 D CB 1.301 42.130 40.800 0.049 0.000 1.203 223 D HN 0.271 nan 8.370 nan 0.000 0.430 224 A N 2.996 125.807 122.820 -0.015 0.000 2.125 224 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 224 A C 1.047 178.430 177.584 -0.335 0.000 1.156 224 A CA 1.299 53.226 52.037 -0.185 0.000 0.671 224 A CB -0.520 18.308 19.000 -0.287 0.000 0.794 224 A HN 0.773 nan 8.150 nan 0.000 0.459 225 H N -0.598 118.528 119.070 0.092 0.000 2.486 225 H HA 0.181 4.737 4.556 -0.000 0.000 0.284 225 H C 0.526 175.963 175.328 0.181 0.000 1.103 225 H CA -0.399 55.732 56.048 0.139 0.000 1.089 225 H CB 0.117 29.987 29.762 0.180 0.000 1.603 225 H HN 0.580 nan 8.280 nan 0.000 0.557 226 R N 1.424 122.019 120.500 0.158 0.000 2.734 226 R HA 0.023 4.363 4.340 -0.000 0.000 0.266 226 R C -0.474 175.930 176.300 0.172 0.000 1.044 226 R CA 0.445 56.627 56.100 0.137 0.000 1.128 226 R CB 0.478 30.811 30.300 0.055 0.000 1.010 226 R HN 0.250 nan 8.270 nan 0.000 0.461 227 D N 0.081 120.592 120.400 0.185 0.000 2.822 227 D HA 0.221 4.861 4.640 -0.000 0.000 0.327 227 D C 0.059 176.418 176.300 0.098 0.000 1.577 227 D CA 0.100 54.186 54.000 0.143 0.000 0.785 227 D CB 0.347 41.238 40.800 0.151 0.000 1.199 227 D HN 0.923 nan 8.370 nan 0.000 0.443 228 G N 0.384 109.241 108.800 0.096 0.000 2.392 228 G HA2 0.240 4.200 3.960 -0.000 0.000 0.677 228 G HA3 0.240 4.200 3.960 -0.000 0.000 0.677 228 G C -0.585 174.378 174.900 0.105 0.000 1.334 228 G CA -0.680 44.465 45.100 0.075 0.000 0.961 228 G HN 0.338 nan 8.290 nan 0.000 0.616 229 F N -0.611 119.356 119.950 0.028 0.000 2.375 229 F HA 0.810 5.337 4.527 -0.000 0.000 0.313 229 F C 0.263 176.074 175.800 0.019 0.000 1.176 229 F CA -1.372 56.636 58.000 0.013 0.000 1.142 229 F CB 1.220 40.242 39.000 0.037 0.000 1.275 229 F HN 0.396 nan 8.300 nan 0.000 0.544 230 V N 4.111 124.206 119.914 0.301 0.000 2.357 230 V HA 0.278 4.398 4.120 -0.000 0.000 0.284 230 V C 0.161 176.444 176.094 0.315 0.000 1.018 230 V CA -0.855 61.554 62.300 0.183 0.000 0.841 230 V CB 1.132 33.043 31.823 0.147 0.000 0.991 230 V HN 0.854 nan 8.190 nan 0.000 0.437 231 I N 4.577 125.276 120.570 0.215 0.000 2.696 231 I HA 0.582 4.752 4.170 -0.000 0.000 0.284 231 I C 0.455 176.684 176.117 0.188 0.000 1.129 231 I CA 0.434 61.879 61.300 0.242 0.000 1.410 231 I CB 1.005 39.075 38.000 0.115 0.000 1.399 231 I HN 0.788 nan 8.210 nan 0.000 0.579 232 A N 4.663 127.544 122.820 0.101 0.000 2.569 232 A HA 0.877 5.197 4.320 -0.000 0.000 0.290 232 A C -0.652 176.914 177.584 -0.029 0.000 1.136 232 A CA -0.140 51.912 52.037 0.024 0.000 0.710 232 A CB 1.345 20.364 19.000 0.032 0.000 1.303 232 A HN 0.840 nan 8.150 nan 0.000 0.413 233 G N -1.757 106.980 108.800 -0.105 0.000 2.730 233 G HA2 0.931 4.891 3.960 -0.000 0.000 0.289 233 G HA3 0.931 4.891 3.960 -0.000 0.000 0.289 233 G C -0.048 174.723 174.900 -0.216 0.000 1.341 233 G CA -0.249 44.802 45.100 -0.082 0.000 0.932 233 G HN 2.282 nan 8.290 nan 0.000 0.481 234 G N -2.114 106.545 108.800 -0.235 0.000 2.340 234 G HA2 0.603 4.563 3.960 -0.000 0.000 0.282 234 G HA3 0.603 4.563 3.960 -0.000 0.000 0.282 234 G C -0.372 174.494 174.900 -0.055 0.000 1.312 234 G CA 0.207 45.031 45.100 -0.459 0.000 0.942 234 G HN 1.920 nan 8.290 nan 0.000 0.495 235 G N -1.792 106.981 108.800 -0.046 0.000 2.695 235 G HA2 1.021 4.981 3.960 -0.000 0.000 0.290 235 G HA3 1.021 4.981 3.960 -0.000 0.000 0.290 235 G C -0.344 174.549 174.900 -0.012 0.000 1.410 235 G CA 0.277 45.410 45.100 0.055 0.000 0.844 235 G HN 2.041 nan 8.290 nan 0.000 0.478 236 G N -0.656 108.134 108.800 -0.017 0.000 2.673 236 G HA2 0.624 4.584 3.960 -0.000 0.000 0.292 236 G HA3 0.624 4.584 3.960 -0.000 0.000 0.292 236 G C -1.381 173.486 174.900 -0.054 0.000 1.450 236 G CA -0.639 44.425 45.100 -0.059 0.000 0.837 236 G HN 0.564 nan 8.290 nan 0.000 0.505 237 M N 0.719 120.277 119.600 -0.071 0.000 2.365 237 M HA 0.481 4.961 4.480 -0.000 0.000 0.287 237 M C -0.372 175.885 176.300 -0.072 0.000 1.154 237 M CA -0.826 54.435 55.300 -0.064 0.000 0.941 237 M CB 1.391 33.944 32.600 -0.078 0.000 1.704 237 M HN 0.937 nan 8.290 nan 0.000 0.479 238 V N 0.343 120.217 119.914 -0.067 0.000 2.864 238 V HA 0.877 4.997 4.120 -0.000 0.000 0.314 238 V C -0.585 175.463 176.094 -0.078 0.000 1.073 238 V CA -0.868 61.380 62.300 -0.087 0.000 0.956 238 V CB 2.033 33.780 31.823 -0.126 0.000 1.023 238 V HN 0.547 nan 8.190 nan 0.000 0.435 239 V N 3.608 123.459 119.914 -0.104 0.000 2.334 239 V HA 0.366 4.485 4.120 -0.000 0.000 0.267 239 V C 0.140 176.106 176.094 -0.214 0.000 1.040 239 V CA -0.351 61.806 62.300 -0.239 0.000 0.866 239 V CB 1.011 32.708 31.823 -0.210 0.000 1.019 239 V HN 0.731 nan 8.190 nan 0.000 0.468 240 V N 5.052 124.812 119.914 -0.257 0.000 2.432 240 V HA 0.484 4.604 4.120 -0.000 0.000 0.275 240 V C 0.053 176.017 176.094 -0.217 0.000 1.043 240 V CA -0.288 61.897 62.300 -0.192 0.000 0.925 240 V CB 1.391 33.110 31.823 -0.172 0.000 0.985 240 V HN 0.975 nan 8.190 nan 0.000 0.466 241 E N 2.650 122.758 120.200 -0.153 0.000 2.340 241 E HA 0.330 4.680 4.350 -0.000 0.000 0.273 241 E C -0.828 175.719 176.600 -0.089 0.000 0.891 241 E CA -0.719 55.593 56.400 -0.146 0.000 0.757 241 E CB 1.830 31.471 29.700 -0.098 0.000 1.231 241 E HN 0.702 nan 8.360 nan 0.000 0.439 242 E N 3.585 123.729 120.200 -0.093 0.000 2.384 242 E HA -0.028 4.322 4.350 -0.000 0.000 0.266 242 E C 0.720 177.330 176.600 0.016 0.000 1.012 242 E CA -0.085 56.293 56.400 -0.036 0.000 0.901 242 E CB 1.153 30.831 29.700 -0.037 0.000 0.967 242 E HN 0.627 nan 8.360 nan 0.000 0.435 243 L N 5.401 126.629 121.223 0.008 0.000 2.012 243 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 243 L C 1.873 178.758 176.870 0.024 0.000 1.073 243 L CA 1.901 56.746 54.840 0.009 0.000 0.748 243 L CB -0.343 41.715 42.059 -0.001 0.000 0.891 243 L HN 0.537 nan 8.230 nan 0.000 0.431 244 E N -1.120 119.099 120.200 0.033 0.000 2.106 244 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 244 E C 2.171 178.794 176.600 0.039 0.000 0.984 244 E CA 1.142 57.558 56.400 0.027 0.000 0.806 244 E CB -0.634 29.080 29.700 0.024 0.000 0.750 244 E HN 0.677 nan 8.360 nan 0.000 0.458 245 H N 0.818 119.873 119.070 -0.024 0.000 2.353 245 H HA -0.040 4.516 4.556 -0.000 0.000 0.300 245 H C 1.846 177.158 175.328 -0.027 0.000 1.090 245 H CA 1.741 57.774 56.048 -0.024 0.000 1.327 245 H CB 0.215 29.958 29.762 -0.030 0.000 1.383 245 H HN 0.122 nan 8.280 nan 0.000 0.508 246 A N 1.139 124.026 122.820 0.111 0.000 1.877 246 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 246 A C 2.887 180.461 177.584 -0.017 0.000 1.186 246 A CA 1.284 53.349 52.037 0.048 0.000 0.620 246 A CB -0.897 18.121 19.000 0.029 0.000 0.822 246 A HN 0.412 nan 8.150 nan 0.000 0.443 247 L N -0.773 120.437 121.223 -0.021 0.000 2.083 247 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 247 L C 3.025 179.866 176.870 -0.048 0.000 1.083 247 L CA 1.018 55.839 54.840 -0.032 0.000 0.752 247 L CB -0.467 41.578 42.059 -0.025 0.000 0.899 247 L HN 0.435 nan 8.230 nan 0.000 0.433 248 A N 0.845 123.622 122.820 -0.071 0.000 2.015 248 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 248 A C 2.224 179.745 177.584 -0.106 0.000 1.163 248 A CA 1.431 53.414 52.037 -0.090 0.000 0.646 248 A CB -0.469 18.463 19.000 -0.112 0.000 0.806 248 A HN 0.568 nan 8.150 nan 0.000 0.448 249 R N -1.279 119.144 120.500 -0.128 0.000 2.359 249 R HA 0.351 4.691 4.340 -0.000 0.000 0.231 249 R C 0.951 177.223 176.300 -0.046 0.000 0.913 249 R CA 0.632 56.672 56.100 -0.099 0.000 1.075 249 R CB -0.571 29.652 30.300 -0.128 0.000 1.087 249 R HN 0.679 nan 8.270 nan 0.000 0.515 250 G N 0.717 109.494 108.800 -0.038 0.000 2.198 250 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.257 250 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.257 250 G C 0.287 175.185 174.900 -0.004 0.000 1.042 250 G CA 0.098 45.187 45.100 -0.019 0.000 0.791 250 G HN 0.709 nan 8.290 nan 0.000 0.502 251 A N 0.150 122.967 122.820 -0.005 0.000 2.466 251 A HA 0.508 4.828 4.320 -0.000 0.000 0.238 251 A C 0.692 178.285 177.584 0.015 0.000 1.074 251 A CA 0.257 52.302 52.037 0.013 0.000 0.774 251 A CB 0.195 19.199 19.000 0.006 0.000 1.015 251 A HN 1.010 nan 8.150 nan 0.000 0.498 252 H N 1.800 120.828 119.070 -0.070 0.000 2.690 252 H HA 0.432 4.988 4.556 -0.000 0.000 0.314 252 H C -1.022 174.217 175.328 -0.149 0.000 1.069 252 H CA -0.098 55.868 56.048 -0.136 0.000 1.436 252 H CB 0.403 30.048 29.762 -0.196 0.000 1.462 252 H HN 0.483 nan 8.280 nan 0.000 0.511 253 I N 6.597 126.750 120.570 -0.694 0.000 2.362 253 I HA -0.004 4.166 4.170 -0.000 0.000 0.289 253 I C 0.083 175.806 176.117 -0.656 0.000 0.994 253 I CA -0.614 60.395 61.300 -0.485 0.000 1.158 253 I CB 1.221 39.090 38.000 -0.220 0.000 1.315 253 I HN 0.676 nan 8.210 nan 0.000 0.451 254 Y N 5.030 125.088 120.300 -0.403 0.000 2.153 254 Y HA 0.211 4.761 4.550 -0.000 0.000 0.289 254 Y C 1.261 177.080 175.900 -0.136 0.000 1.127 254 Y CA 0.989 58.955 58.100 -0.224 0.000 1.131 254 Y CB 0.134 38.545 38.460 -0.082 0.000 0.995 254 Y HN 0.650 nan 8.280 nan 0.000 0.505 255 A N -0.735 122.126 122.820 0.068 0.000 2.601 255 A HA 0.403 4.723 4.320 -0.000 0.000 0.291 255 A C -1.436 176.151 177.584 0.004 0.000 1.075 255 A CA -0.826 51.227 52.037 0.026 0.000 0.671 255 A CB 0.846 19.872 19.000 0.042 0.000 1.277 255 A HN 0.103 nan 8.150 nan 0.000 0.417 256 E N 0.860 121.058 120.200 -0.003 0.000 2.266 256 E HA 0.471 4.821 4.350 -0.000 0.000 0.277 256 E C -0.797 175.803 176.600 -0.001 0.000 1.018 256 E CA -0.677 55.719 56.400 -0.006 0.000 0.840 256 E CB 0.617 30.314 29.700 -0.005 0.000 1.082 256 E HN 0.459 nan 8.360 nan 0.000 0.395 257 I N 6.639 127.205 120.570 -0.007 0.000 2.294 257 I HA -0.015 4.155 4.170 -0.000 0.000 0.295 257 I C 1.127 177.257 176.117 0.022 0.000 1.098 257 I CA 0.145 61.446 61.300 0.001 0.000 1.277 257 I CB 0.390 38.377 38.000 -0.021 0.000 1.434 257 I HN 0.492 nan 8.210 nan 0.000 0.498 258 V N 3.401 123.334 119.914 0.033 0.000 3.506 258 V HA 0.513 4.633 4.120 -0.000 0.000 0.263 258 V C 0.770 176.901 176.094 0.062 0.000 1.203 258 V CA 0.367 62.690 62.300 0.039 0.000 1.133 258 V CB 0.095 31.935 31.823 0.028 0.000 0.802 258 V HN 0.679 nan 8.190 nan 0.000 0.459 259 G N -0.627 108.223 108.800 0.083 0.000 2.733 259 G HA2 0.544 4.504 3.960 -0.000 0.000 0.297 259 G HA3 0.544 4.504 3.960 -0.000 0.000 0.297 259 G C -2.323 172.690 174.900 0.188 0.000 1.422 259 G CA -0.589 44.581 45.100 0.117 0.000 0.942 259 G HN 0.314 nan 8.290 nan 0.000 0.510 260 Y N 1.189 121.510 120.300 0.036 0.000 2.330 260 Y HA 0.672 5.222 4.550 -0.000 0.000 0.324 260 Y C -0.106 175.822 175.900 0.046 0.000 1.093 260 Y CA -1.276 56.844 58.100 0.034 0.000 1.103 260 Y CB 1.652 40.132 38.460 0.034 0.000 1.183 260 Y HN 0.832 nan 8.280 nan 0.000 0.433 261 G N 3.153 111.882 108.800 -0.119 0.000 2.388 261 G HA2 0.737 4.697 3.960 -0.000 0.000 0.330 261 G HA3 0.737 4.697 3.960 -0.000 0.000 0.330 261 G C -1.584 173.113 174.900 -0.338 0.000 1.142 261 G CA -0.549 44.406 45.100 -0.242 0.000 0.908 261 G HN 1.121 nan 8.290 nan 0.000 0.473 262 A N 1.526 124.154 122.820 -0.321 0.000 2.414 262 A HA 0.874 5.193 4.320 -0.000 0.000 0.286 262 A C -0.014 177.551 177.584 -0.031 0.000 1.073 262 A CA -0.071 51.923 52.037 -0.071 0.000 0.727 262 A CB 1.405 20.363 19.000 -0.070 0.000 1.215 262 A HN 1.578 nan 8.150 nan 0.000 0.430 263 T N -1.448 113.132 114.554 0.043 0.000 2.738 263 T HA 0.858 5.208 4.350 -0.000 0.000 0.292 263 T C -0.366 174.343 174.700 0.016 0.000 1.122 263 T CA -0.393 61.705 62.100 -0.004 0.000 1.016 263 T CB 1.658 70.505 68.868 -0.035 0.000 1.359 263 T HN 1.466 nan 8.240 nan 0.000 0.515 264 S N -1.039 114.649 115.700 -0.020 0.000 2.541 264 S HA 0.476 4.946 4.470 -0.000 0.000 0.280 264 S C -0.242 174.331 174.600 -0.044 0.000 1.112 264 S CA -0.593 57.593 58.200 -0.022 0.000 0.925 264 S CB 1.662 64.845 63.200 -0.029 0.000 1.067 264 S HN 0.697 nan 8.310 nan 0.000 0.479 265 D N 2.653 123.025 120.400 -0.048 0.000 2.123 265 D HA 0.150 4.790 4.640 -0.000 0.000 0.200 265 D C 1.484 177.755 176.300 -0.049 0.000 0.976 265 D CA 1.557 55.522 54.000 -0.059 0.000 0.831 265 D CB -0.527 40.237 40.800 -0.059 0.000 0.974 265 D HN 1.066 nan 8.370 nan 0.000 0.469 266 G N 0.176 108.949 108.800 -0.044 0.000 2.273 266 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.280 266 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.280 266 G C 0.476 175.354 174.900 -0.036 0.000 1.047 266 G CA 0.898 45.974 45.100 -0.040 0.000 0.869 266 G HN 0.680 nan 8.290 nan 0.000 0.502 267 A N -1.075 121.723 122.820 -0.036 0.000 2.770 267 A HA 0.709 5.029 4.320 -0.000 0.000 0.183 267 A C 0.063 177.633 177.584 -0.022 0.000 1.077 267 A CA 0.632 52.652 52.037 -0.028 0.000 1.468 267 A CB 0.144 19.128 19.000 -0.027 0.000 2.037 267 A HN 0.400 nan 8.150 nan 0.000 0.730 268 D N 0.510 120.902 120.400 -0.013 0.000 2.343 268 D HA 0.234 4.874 4.640 -0.000 0.000 0.255 268 D C 0.975 177.268 176.300 -0.011 0.000 1.187 268 D CA -0.214 53.786 54.000 -0.001 0.000 0.875 268 D CB 1.340 42.151 40.800 0.018 0.000 1.136 268 D HN 0.350 nan 8.370 nan 0.000 0.469 269 M N 4.533 124.119 119.600 -0.024 0.000 2.108 269 M HA -0.236 4.244 4.480 -0.000 0.000 0.257 269 M C 1.549 177.798 176.300 -0.084 0.000 1.071 269 M CA 1.896 57.152 55.300 -0.073 0.000 1.093 269 M CB -0.208 32.351 32.600 -0.069 0.000 1.345 269 M HN 0.378 nan 8.290 nan 0.000 0.403 270 V N -3.072 116.869 119.914 0.046 0.000 3.644 270 V HA 0.564 4.684 4.120 -0.000 0.000 0.267 270 V C 0.725 176.974 176.094 0.258 0.000 1.277 270 V CA 0.166 62.597 62.300 0.219 0.000 1.096 270 V CB -1.355 30.635 31.823 0.278 0.000 0.828 270 V HN 0.396 nan 8.190 nan 0.000 0.446 271 A N 1.725 124.634 122.820 0.149 0.000 2.355 271 A HA 0.892 5.212 4.320 -0.000 0.000 0.324 271 A C -2.809 174.836 177.584 0.101 0.000 1.117 271 A CA -1.984 50.139 52.037 0.144 0.000 0.785 271 A CB 0.905 19.968 19.000 0.104 0.000 1.254 271 A HN 0.268 nan 8.150 nan 0.000 0.453 272 P HA 0.106 nan 4.420 nan 0.000 0.271 272 P C 0.740 178.037 177.300 -0.004 0.000 1.218 272 P CA 0.092 63.213 63.100 0.034 0.000 0.780 272 P CB 1.242 32.966 31.700 0.040 0.000 0.901 273 S N 1.311 116.982 115.700 -0.050 0.000 2.470 273 S HA 0.124 4.593 4.470 -0.000 0.000 0.225 273 S C 1.608 176.168 174.600 -0.066 0.000 1.006 273 S CA 0.912 59.083 58.200 -0.049 0.000 0.934 273 S CB -0.992 62.175 63.200 -0.056 0.000 0.778 273 S HN 0.744 nan 8.310 nan 0.000 0.517 274 G N 1.879 110.610 108.800 -0.116 0.000 3.329 274 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.220 274 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.220 274 G C 0.887 175.699 174.900 -0.147 0.000 1.358 274 G CA 0.536 45.563 45.100 -0.121 0.000 0.856 274 G HN 0.518 nan 8.290 nan 0.000 0.551 275 E N 1.324 121.459 120.200 -0.108 0.000 2.085 275 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 275 E C 2.642 179.163 176.600 -0.132 0.000 0.994 275 E CA 1.854 58.193 56.400 -0.102 0.000 0.801 275 E CB -0.771 28.886 29.700 -0.073 0.000 0.743 275 E HN 0.639 nan 8.360 nan 0.000 0.453 276 G N 0.619 109.327 108.800 -0.153 0.000 2.422 276 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 276 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 276 G C 1.628 176.380 174.900 -0.246 0.000 1.146 276 G CA 0.952 45.954 45.100 -0.164 0.000 0.769 276 G HN 0.412 nan 8.290 nan 0.000 0.547 277 A N 0.159 122.722 122.820 -0.429 0.000 1.898 277 A HA 0.104 4.423 4.320 -0.000 0.000 0.216 277 A C 2.607 180.030 177.584 -0.269 0.000 1.181 277 A CA 1.719 53.343 52.037 -0.688 0.000 0.620 277 A CB -0.628 17.661 19.000 -1.185 0.000 0.819 277 A HN 0.239 nan 8.150 nan 0.000 0.442 278 V N 0.189 119.992 119.914 -0.185 0.000 2.255 278 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 278 V C 2.654 178.694 176.094 -0.090 0.000 1.051 278 V CA 2.414 64.650 62.300 -0.106 0.000 1.018 278 V CB -0.850 30.918 31.823 -0.093 0.000 0.641 278 V HN 0.540 nan 8.190 nan 0.000 0.445 279 R N -1.078 119.364 120.500 -0.096 0.000 2.105 279 R HA -0.202 4.137 4.340 -0.000 0.000 0.239 279 R C 2.402 178.667 176.300 -0.060 0.000 1.135 279 R CA 1.734 57.787 56.100 -0.078 0.000 0.967 279 R CB -0.894 29.358 30.300 -0.079 0.000 0.861 279 R HN 0.587 nan 8.270 nan 0.000 0.442 280 C N 0.665 119.938 119.300 -0.046 0.000 2.453 280 C HA -0.047 4.413 4.460 -0.000 0.000 0.277 280 C C 2.608 177.623 174.990 0.043 0.000 1.262 280 C CA 0.769 59.794 59.018 0.011 0.000 1.718 280 C CB -0.668 27.126 27.740 0.090 0.000 2.031 280 C HN 0.458 nan 8.230 nan 0.000 0.480 281 M N 0.239 119.878 119.600 0.066 0.000 2.086 281 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 281 M C 2.266 178.560 176.300 -0.009 0.000 1.067 281 M CA 1.904 57.243 55.300 0.066 0.000 1.116 281 M CB -0.485 32.164 32.600 0.082 0.000 1.348 281 M HN 0.369 nan 8.290 nan 0.000 0.407 282 K N -0.022 120.347 120.400 -0.051 0.000 2.097 282 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 282 K C 1.984 178.578 176.600 -0.009 0.000 1.049 282 K CA 1.339 57.591 56.287 -0.057 0.000 0.933 282 K CB -0.234 32.222 32.500 -0.072 0.000 0.717 282 K HN 0.351 nan 8.250 nan 0.000 0.442 283 M N 0.573 120.159 119.600 -0.023 0.000 2.117 283 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 283 M C 2.088 178.401 176.300 0.023 0.000 1.065 283 M CA 1.755 57.040 55.300 -0.025 0.000 1.114 283 M CB -0.081 32.475 32.600 -0.073 0.000 1.361 283 M HN 0.177 nan 8.290 nan 0.000 0.408 284 A N -0.001 122.836 122.820 0.027 0.000 2.015 284 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 284 A C 1.883 179.512 177.584 0.074 0.000 1.163 284 A CA 1.379 53.453 52.037 0.062 0.000 0.646 284 A CB -0.583 18.464 19.000 0.078 0.000 0.806 284 A HN 0.647 nan 8.150 nan 0.000 0.448 285 M N -1.244 118.391 119.600 0.059 0.000 2.556 285 M HA 0.070 4.550 4.480 -0.000 0.000 0.245 285 M C 0.577 176.906 176.300 0.048 0.000 1.128 285 M CA -0.029 55.298 55.300 0.045 0.000 1.069 285 M CB -0.057 32.543 32.600 0.000 0.000 1.469 285 M HN 0.517 nan 8.290 nan 0.000 0.494 286 H N 0.320 119.382 119.070 -0.014 0.000 3.004 286 H HA 0.246 4.802 4.556 -0.000 0.000 0.316 286 H C 1.156 176.483 175.328 -0.003 0.000 1.014 286 H CA 1.489 57.528 56.048 -0.015 0.000 1.454 286 H CB 0.301 30.051 29.762 -0.020 0.000 1.472 286 H HN 0.439 nan 8.280 nan 0.000 0.571 287 G N 3.266 111.763 108.800 -0.505 0.000 2.179 287 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 287 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 287 G C -0.036 174.784 174.900 -0.133 0.000 0.977 287 G CA 0.275 45.174 45.100 -0.335 0.000 0.641 287 G HN 0.673 nan 8.290 nan 0.000 0.533 288 V N 2.542 122.409 119.914 -0.079 0.000 2.389 288 V HA 0.372 4.492 4.120 -0.000 0.000 0.264 288 V C 1.027 177.107 176.094 -0.024 0.000 1.049 288 V CA 0.421 62.705 62.300 -0.026 0.000 0.932 288 V CB 1.377 33.206 31.823 0.010 0.000 1.011 288 V HN 0.483 nan 8.190 nan 0.000 0.475 289 D N 2.381 122.769 120.400 -0.020 0.000 2.336 289 D HA 0.027 4.667 4.640 -0.000 0.000 0.228 289 D C 0.608 176.909 176.300 0.000 0.000 1.120 289 D CA -0.027 53.963 54.000 -0.017 0.000 0.839 289 D CB 0.044 40.831 40.800 -0.021 0.000 0.932 289 D HN 0.583 nan 8.370 nan 0.000 0.509 290 T N -2.850 111.712 114.554 0.012 0.000 2.907 290 T HA 0.612 4.962 4.350 -0.000 0.000 0.292 290 T C -2.823 171.902 174.700 0.042 0.000 1.043 290 T CA -1.783 60.331 62.100 0.023 0.000 1.003 290 T CB 2.145 71.026 68.868 0.022 0.000 1.084 290 T HN -0.179 nan 8.240 nan 0.000 0.483 291 P HA 0.317 nan 4.420 nan 0.000 0.274 291 P C -0.405 176.943 177.300 0.079 0.000 1.231 291 P CA -0.672 62.474 63.100 0.076 0.000 0.790 291 P CB 0.473 32.209 31.700 0.059 0.000 0.951 292 I N 2.911 123.552 120.570 0.120 0.000 2.436 292 I HA -0.001 4.169 4.170 -0.000 0.000 0.289 292 I C 1.301 177.415 176.117 -0.004 0.000 1.083 292 I CA 0.423 61.767 61.300 0.074 0.000 1.372 292 I CB -0.173 37.906 38.000 0.130 0.000 1.408 292 I HN 0.322 nan 8.210 nan 0.000 0.516 293 D N 5.048 125.459 120.400 0.018 0.000 2.240 293 D HA -0.077 4.563 4.640 -0.000 0.000 0.206 293 D C 0.060 176.391 176.300 0.053 0.000 0.963 293 D CA 1.336 55.351 54.000 0.025 0.000 0.863 293 D CB 0.393 41.221 40.800 0.046 0.000 0.973 293 D HN 0.532 nan 8.370 nan 0.000 0.501 294 Y N 0.364 120.614 120.300 -0.083 0.000 2.479 294 Y HA 0.431 4.981 4.550 -0.000 0.000 0.338 294 Y C -2.056 173.793 175.900 -0.085 0.000 1.055 294 Y CA -1.383 56.660 58.100 -0.094 0.000 1.023 294 Y CB 1.411 39.816 38.460 -0.092 0.000 1.287 294 Y HN -0.262 nan 8.280 nan 0.000 0.447 295 L N 6.972 127.553 121.223 -1.070 0.000 2.349 295 L HA 0.485 4.825 4.340 -0.000 0.000 0.278 295 L C -1.205 175.028 176.870 -1.062 0.000 0.996 295 L CA -0.536 53.818 54.840 -0.810 0.000 0.825 295 L CB 1.397 43.199 42.059 -0.428 0.000 1.243 295 L HN 0.818 nan 8.230 nan 0.000 0.412 296 N N 3.188 121.470 118.700 -0.697 0.000 2.415 296 N HA 0.169 4.908 4.740 -0.000 0.000 0.246 296 N C -0.456 174.961 175.510 -0.155 0.000 1.078 296 N CA -0.062 52.826 53.050 -0.269 0.000 0.942 296 N CB 0.822 39.324 38.487 0.024 0.000 1.140 296 N HN 0.778 nan 8.380 nan 0.000 0.501 297 S N 2.636 118.283 115.700 -0.088 0.000 2.614 297 S HA 0.018 4.487 4.470 -0.000 0.000 0.265 297 S C 1.312 175.867 174.600 -0.075 0.000 1.303 297 S CA -0.314 57.867 58.200 -0.032 0.000 1.000 297 S CB 1.302 64.576 63.200 0.123 0.000 0.935 297 S HN 0.754 nan 8.310 nan 0.000 0.551 298 H N 2.195 121.139 119.070 -0.209 0.000 2.321 298 H HA 0.115 4.671 4.556 -0.000 0.000 0.300 298 H C 1.493 176.705 175.328 -0.192 0.000 1.087 298 H CA 1.456 57.347 56.048 -0.263 0.000 1.319 298 H CB -1.106 28.450 29.762 -0.343 0.000 1.379 298 H HN 1.071 nan 8.280 nan 0.000 0.501 299 G N 0.709 109.379 108.800 -0.217 0.000 2.310 299 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.235 299 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.235 299 G C 0.967 175.599 174.900 -0.445 0.000 0.339 299 G CA 0.992 45.902 45.100 -0.317 0.000 1.058 299 G HN 0.812 nan 8.290 nan 0.000 0.460 300 T N -1.292 113.002 114.554 -0.435 0.000 3.081 300 T HA 0.400 4.750 4.350 -0.000 0.000 0.250 300 T C 1.345 175.973 174.700 -0.120 0.000 1.100 300 T CA 1.008 62.889 62.100 -0.365 0.000 1.038 300 T CB 0.342 68.984 68.868 -0.377 0.000 0.962 300 T HN 1.732 nan 8.240 nan 0.000 0.516 301 S N 0.697 116.318 115.700 -0.131 0.000 3.461 301 S HA -0.129 4.341 4.470 -0.000 0.000 0.282 301 S C 0.245 174.869 174.600 0.038 0.000 1.262 301 S CA 0.600 58.765 58.200 -0.059 0.000 0.853 301 S CB -2.145 61.035 63.200 -0.033 0.000 1.048 301 S HN 1.237 nan 8.310 nan 0.000 0.644 302 T N -0.897 113.693 114.554 0.061 0.000 2.867 302 T HA 0.661 5.011 4.350 -0.000 0.000 0.282 302 T C -1.368 173.388 174.700 0.092 0.000 1.000 302 T CA -1.598 60.569 62.100 0.112 0.000 1.042 302 T CB 1.613 70.582 68.868 0.169 0.000 0.973 302 T HN -0.070 nan 8.240 nan 0.000 0.465 303 P HA -0.145 nan 4.420 nan 0.000 0.214 303 P C 1.680 179.036 177.300 0.093 0.000 1.169 303 P CA 0.728 63.877 63.100 0.082 0.000 0.908 303 P CB -0.041 31.704 31.700 0.074 0.000 0.791 304 V N -0.509 119.468 119.914 0.105 0.000 2.346 304 V HA -0.092 4.028 4.120 -0.000 0.000 0.244 304 V C 2.600 178.771 176.094 0.128 0.000 1.037 304 V CA 2.419 64.784 62.300 0.108 0.000 1.029 304 V CB -1.876 30.013 31.823 0.109 0.000 0.663 304 V HN 0.173 nan 8.190 nan 0.000 0.454 305 G N -0.181 108.711 108.800 0.154 0.000 2.418 305 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 305 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 305 G C 1.198 176.218 174.900 0.199 0.000 1.158 305 G CA 1.135 46.351 45.100 0.194 0.000 0.771 305 G HN 0.497 nan 8.290 nan 0.000 0.545 306 D N 0.160 120.654 120.400 0.157 0.000 2.097 306 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 306 D C 2.899 179.367 176.300 0.281 0.000 0.989 306 D CA 1.698 55.813 54.000 0.192 0.000 0.827 306 D CB -0.480 40.384 40.800 0.107 0.000 0.966 306 D HN 0.368 nan 8.370 nan 0.000 0.456 307 V N -1.354 118.679 119.914 0.199 0.000 2.951 307 V HA 0.042 4.162 4.120 -0.000 0.000 0.255 307 V C 2.105 178.274 176.094 0.125 0.000 1.088 307 V CA 0.841 63.235 62.300 0.158 0.000 1.109 307 V CB -0.390 31.500 31.823 0.112 0.000 0.724 307 V HN -0.110 nan 8.190 nan 0.000 0.471 308 K N 1.373 121.848 120.400 0.124 0.000 2.057 308 K HA -0.182 4.137 4.320 -0.000 0.000 0.207 308 K C 2.244 178.905 176.600 0.101 0.000 1.049 308 K CA 2.054 58.395 56.287 0.091 0.000 0.931 308 K CB -0.402 32.147 32.500 0.081 0.000 0.714 308 K HN 0.714 nan 8.250 nan 0.000 0.440 309 E N -0.011 120.298 120.200 0.181 0.000 2.077 309 E HA -0.175 4.174 4.350 -0.000 0.000 0.193 309 E C 1.859 178.575 176.600 0.193 0.000 0.989 309 E CA 1.041 57.586 56.400 0.242 0.000 0.800 309 E CB -0.044 29.900 29.700 0.406 0.000 0.746 309 E HN 0.276 nan 8.360 nan 0.000 0.452 310 L N 0.365 121.686 121.223 0.164 0.000 2.046 310 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 310 L C 2.706 179.614 176.870 0.063 0.000 1.077 310 L CA 1.044 55.930 54.840 0.077 0.000 0.747 310 L CB -0.548 41.517 42.059 0.010 0.000 0.896 310 L HN 0.235 nan 8.230 nan 0.000 0.432 311 A N 0.068 122.925 122.820 0.061 0.000 1.933 311 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 311 A C 2.517 180.125 177.584 0.040 0.000 1.175 311 A CA 1.770 53.831 52.037 0.041 0.000 0.628 311 A CB -0.601 18.418 19.000 0.031 0.000 0.814 311 A HN 0.422 nan 8.150 nan 0.000 0.444 312 A N -0.106 122.740 122.820 0.044 0.000 1.898 312 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 312 A C 2.097 179.730 177.584 0.082 0.000 1.181 312 A CA 1.411 53.464 52.037 0.026 0.000 0.620 312 A CB -0.579 18.409 19.000 -0.020 0.000 0.819 312 A HN 0.490 nan 8.150 nan 0.000 0.442 313 I N -0.781 119.880 120.570 0.152 0.000 2.208 313 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 313 I C 2.781 179.050 176.117 0.253 0.000 1.097 313 I CA 1.382 62.840 61.300 0.264 0.000 1.363 313 I CB -0.331 37.790 38.000 0.202 0.000 1.051 313 I HN 0.292 nan 8.210 nan 0.000 0.413 314 R N 0.280 120.858 120.500 0.130 0.000 2.081 314 R HA -0.226 4.114 4.340 -0.000 0.000 0.235 314 R C 2.256 178.600 176.300 0.073 0.000 1.131 314 R CA 1.627 57.785 56.100 0.098 0.000 0.960 314 R CB -0.325 30.005 30.300 0.050 0.000 0.856 314 R HN 0.280 nan 8.270 nan 0.000 0.436 315 E N 0.656 120.879 120.200 0.039 0.000 2.077 315 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 315 E C 1.827 178.399 176.600 -0.045 0.000 0.989 315 E CA 1.215 57.613 56.400 -0.004 0.000 0.800 315 E CB -0.081 29.607 29.700 -0.020 0.000 0.746 315 E HN 0.039 nan 8.360 nan 0.000 0.452 316 V N -0.339 119.524 119.914 -0.086 0.000 2.358 316 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 316 V C 1.686 177.542 176.094 -0.397 0.000 1.047 316 V CA 1.815 63.928 62.300 -0.312 0.000 1.035 316 V CB -0.444 31.069 31.823 -0.516 0.000 0.658 316 V HN 0.255 nan 8.190 nan 0.000 0.452 317 F N -0.560 119.390 119.950 -0.000 0.000 2.720 317 F HA 0.518 5.045 4.527 -0.000 0.000 0.301 317 F C 1.762 177.559 175.800 -0.005 0.000 1.103 317 F CA 0.505 58.503 58.000 -0.003 0.000 1.291 317 F CB -0.220 38.776 39.000 -0.006 0.000 1.086 317 F HN 0.253 nan 8.300 nan 0.000 0.592 318 G N 0.879 109.764 108.800 0.141 0.000 2.622 318 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.307 318 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.307 318 G C 0.628 175.579 174.900 0.084 0.000 1.226 318 G CA 0.685 45.834 45.100 0.082 0.000 0.997 318 G HN 0.240 nan 8.290 nan 0.000 0.551 319 D N 1.514 121.951 120.400 0.061 0.000 2.328 319 D HA 0.143 4.783 4.640 -0.000 0.000 0.226 319 D C 1.141 177.467 176.300 0.042 0.000 1.066 319 D CA 0.529 54.554 54.000 0.042 0.000 0.861 319 D CB 0.188 41.004 40.800 0.027 0.000 0.912 319 D HN 0.431 nan 8.370 nan 0.000 0.521 320 K N 0.743 121.188 120.400 0.075 0.000 3.174 320 K HA 0.132 4.452 4.320 -0.000 0.000 0.207 320 K C 0.015 176.635 176.600 0.033 0.000 1.190 320 K CA -0.232 56.092 56.287 0.062 0.000 1.054 320 K CB 1.097 33.647 32.500 0.083 0.000 1.154 320 K HN -0.167 nan 8.250 nan 0.000 0.495 321 S N 2.691 118.370 115.700 -0.034 0.000 2.573 321 S HA 0.044 4.514 4.470 -0.000 0.000 0.297 321 S C -1.819 172.608 174.600 -0.288 0.000 1.280 321 S CA -0.927 57.154 58.200 -0.197 0.000 1.061 321 S CB 0.239 63.361 63.200 -0.130 0.000 0.812 321 S HN 0.187 nan 8.310 nan 0.000 0.500 322 P HA 0.263 nan 4.420 nan 0.000 0.273 322 P C -0.842 176.325 177.300 -0.221 0.000 1.250 322 P CA -0.502 62.381 63.100 -0.361 0.000 0.793 322 P CB 0.139 31.538 31.700 -0.502 0.000 1.011 323 A N 1.096 123.856 122.820 -0.100 0.000 2.511 323 A HA 0.355 4.675 4.320 -0.000 0.000 0.242 323 A C 0.184 177.736 177.584 -0.053 0.000 1.069 323 A CA 0.167 52.198 52.037 -0.009 0.000 0.763 323 A CB -0.904 18.162 19.000 0.110 0.000 1.001 323 A HN 0.431 nan 8.150 nan 0.000 0.498 324 I N 1.897 122.441 120.570 -0.044 0.000 2.545 324 I HA 0.507 4.677 4.170 -0.000 0.000 0.292 324 I C 0.119 176.286 176.117 0.083 0.000 1.040 324 I CA -0.179 61.060 61.300 -0.101 0.000 1.068 324 I CB 2.469 40.392 38.000 -0.129 0.000 1.251 324 I HN 0.771 nan 8.210 nan 0.000 0.424 325 S N 3.748 119.533 115.700 0.141 0.000 2.556 325 S HA 0.845 5.314 4.470 -0.000 0.000 0.271 325 S C -0.920 173.782 174.600 0.170 0.000 1.135 325 S CA -0.867 57.462 58.200 0.215 0.000 0.858 325 S CB 2.021 65.365 63.200 0.240 0.000 1.114 325 S HN 0.743 nan 8.310 nan 0.000 0.468 326 A N 1.852 124.758 122.820 0.144 0.000 2.322 326 A HA 0.575 4.895 4.320 -0.000 0.000 0.327 326 A C 1.143 178.719 177.584 -0.014 0.000 1.394 326 A CA -0.238 51.808 52.037 0.015 0.000 0.921 326 A CB -0.414 18.496 19.000 -0.151 0.000 1.153 326 A HN 1.242 nan 8.150 nan 0.000 0.523 327 T N -0.140 114.420 114.554 0.010 0.000 3.051 327 T HA -0.081 4.268 4.350 -0.000 0.000 0.269 327 T C 1.320 175.981 174.700 -0.064 0.000 1.127 327 T CA 1.157 63.238 62.100 -0.032 0.000 1.107 327 T CB -0.295 68.552 68.868 -0.036 0.000 0.898 327 T HN 0.629 nan 8.240 nan 0.000 0.517 328 K N 1.170 121.521 120.400 -0.081 0.000 2.360 328 K HA 0.173 4.493 4.320 -0.000 0.000 0.201 328 K C 2.582 179.133 176.600 -0.082 0.000 1.046 328 K CA 0.836 57.064 56.287 -0.097 0.000 0.945 328 K CB -0.318 32.068 32.500 -0.190 0.000 0.750 328 K HN 0.486 nan 8.250 nan 0.000 0.464 329 A N 0.969 123.733 122.820 -0.093 0.000 2.019 329 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 329 A C 2.005 179.555 177.584 -0.056 0.000 1.164 329 A CA 1.311 53.301 52.037 -0.077 0.000 0.644 329 A CB -0.267 18.686 19.000 -0.078 0.000 0.805 329 A HN 0.192 nan 8.150 nan 0.000 0.449 330 M N -1.082 118.480 119.600 -0.064 0.000 2.325 330 M HA -0.046 4.434 4.480 -0.000 0.000 0.265 330 M C 2.238 178.508 176.300 -0.051 0.000 1.094 330 M CA 1.721 56.983 55.300 -0.065 0.000 1.161 330 M CB -0.086 32.451 32.600 -0.104 0.000 1.358 330 M HN 0.590 nan 8.290 nan 0.000 0.446 331 T N -2.619 111.904 114.554 -0.052 0.000 3.037 331 T HA 0.436 4.786 4.350 -0.000 0.000 0.251 331 T C 1.068 175.784 174.700 0.026 0.000 1.079 331 T CA 0.326 62.415 62.100 -0.018 0.000 1.067 331 T CB -0.081 68.795 68.868 0.013 0.000 0.948 331 T HN 0.535 nan 8.240 nan 0.000 0.496 332 G N 1.345 110.164 108.800 0.032 0.000 2.796 332 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.226 332 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.226 332 G C -0.781 174.176 174.900 0.094 0.000 1.381 332 G CA -0.232 44.919 45.100 0.085 0.000 0.867 332 G HN 0.841 nan 8.290 nan 0.000 0.552 333 H N 0.617 119.682 119.070 -0.009 0.000 2.661 333 H HA 0.598 5.154 4.556 -0.000 0.000 0.290 333 H C 1.488 176.745 175.328 -0.118 0.000 1.082 333 H CA -0.108 55.847 56.048 -0.154 0.000 1.234 333 H CB 0.605 30.102 29.762 -0.441 0.000 1.387 333 H HN 0.845 nan 8.280 nan 0.000 0.476 334 S N 4.956 120.766 115.700 0.183 0.000 2.710 334 S HA 0.162 4.631 4.470 -0.000 0.000 0.224 334 S C 1.183 175.778 174.600 -0.009 0.000 0.948 334 S CA -0.055 58.169 58.200 0.040 0.000 0.949 334 S CB -0.631 62.586 63.200 0.028 0.000 0.778 334 S HN 0.719 nan 8.310 nan 0.000 0.498 335 L N -0.364 120.788 121.223 -0.119 0.000 5.712 335 L HA -0.334 4.006 4.340 -0.000 0.000 0.053 335 L C 2.218 179.102 176.870 0.022 0.000 2.787 335 L CA 1.332 56.041 54.840 -0.219 0.000 1.527 335 L CB -2.082 39.835 42.059 -0.237 0.000 2.908 335 L HN 0.425 nan 8.230 nan 0.000 0.994 336 G N -0.955 107.870 108.800 0.041 0.000 2.462 336 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.220 336 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.220 336 G C 1.263 176.196 174.900 0.055 0.000 1.121 336 G CA 1.414 46.557 45.100 0.071 0.000 0.758 336 G HN 0.880 nan 8.290 nan 0.000 0.559 337 A N 0.299 123.144 122.820 0.041 0.000 2.218 337 A HA 0.636 4.956 4.320 -0.000 0.000 0.209 337 A C 2.533 180.108 177.584 -0.015 0.000 1.168 337 A CA 1.307 53.353 52.037 0.015 0.000 0.804 337 A CB -0.201 18.807 19.000 0.013 0.000 0.834 337 A HN 0.535 nan 8.150 nan 0.000 0.482 338 A N -0.060 122.771 122.820 0.019 0.000 1.898 338 A HA 0.165 4.485 4.320 -0.000 0.000 0.216 338 A C 2.300 179.843 177.584 -0.068 0.000 1.181 338 A CA 1.713 53.749 52.037 -0.002 0.000 0.620 338 A CB -1.155 17.887 19.000 0.071 0.000 0.819 338 A HN 0.620 nan 8.150 nan 0.000 0.442 339 G N -0.807 107.963 108.800 -0.049 0.000 2.421 339 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 339 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 339 G C 1.641 176.465 174.900 -0.127 0.000 1.171 339 G CA 1.268 46.316 45.100 -0.086 0.000 0.775 339 G HN 0.537 nan 8.290 nan 0.000 0.543 340 V N 0.136 119.978 119.914 -0.120 0.000 2.453 340 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 340 V C 2.726 178.672 176.094 -0.248 0.000 1.048 340 V CA 2.444 64.653 62.300 -0.152 0.000 1.049 340 V CB -0.250 31.507 31.823 -0.110 0.000 0.672 340 V HN 0.502 nan 8.190 nan 0.000 0.457 341 Q N -0.383 119.242 119.800 -0.292 0.000 2.084 341 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 341 Q C 2.161 177.578 176.000 -0.972 0.000 0.978 341 Q CA 2.218 57.684 55.803 -0.561 0.000 0.844 341 Q CB -0.137 28.341 28.738 -0.433 0.000 0.898 341 Q HN 0.724 nan 8.270 nan 0.000 0.426 342 E N 0.341 120.203 120.200 -0.562 0.000 2.152 342 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 342 E C 1.919 178.388 176.600 -0.217 0.000 0.983 342 E CA 0.666 56.853 56.400 -0.356 0.000 0.818 342 E CB -0.044 29.592 29.700 -0.106 0.000 0.758 342 E HN 0.333 nan 8.360 nan 0.000 0.467 343 A N 1.197 123.890 122.820 -0.211 0.000 1.902 343 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 343 A C 2.157 179.643 177.584 -0.164 0.000 1.181 343 A CA 1.105 53.053 52.037 -0.147 0.000 0.623 343 A CB -0.548 18.368 19.000 -0.141 0.000 0.818 343 A HN 0.148 nan 8.150 nan 0.000 0.443 344 I N -1.536 118.878 120.570 -0.260 0.000 2.226 344 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 344 I C 2.332 178.398 176.117 -0.085 0.000 1.100 344 I CA 1.232 62.398 61.300 -0.224 0.000 1.374 344 I CB -0.435 37.407 38.000 -0.262 0.000 1.057 344 I HN 0.386 nan 8.210 nan 0.000 0.413 345 Y N 0.771 121.051 120.300 -0.033 0.000 2.181 345 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 345 Y C 2.934 178.810 175.900 -0.040 0.000 1.146 345 Y CA 0.877 58.967 58.100 -0.017 0.000 1.164 345 Y CB -1.421 37.036 38.460 -0.006 0.000 0.982 345 Y HN 0.108 nan 8.280 nan 0.000 0.515 346 S N 0.121 115.896 115.700 0.126 0.000 2.368 346 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 346 S C 2.164 176.779 174.600 0.026 0.000 1.030 346 S CA 1.146 59.405 58.200 0.097 0.000 0.999 346 S CB -0.647 62.626 63.200 0.121 0.000 0.844 346 S HN 0.357 nan 8.310 nan 0.000 0.459 347 L N 0.943 122.166 121.223 -0.000 0.000 2.083 347 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 347 L C 2.170 179.082 176.870 0.071 0.000 1.083 347 L CA 0.922 55.759 54.840 -0.005 0.000 0.752 347 L CB -0.519 41.458 42.059 -0.136 0.000 0.899 347 L HN 0.287 nan 8.230 nan 0.000 0.433 348 L N -1.227 120.060 121.223 0.106 0.000 2.109 348 L HA -0.190 4.149 4.340 -0.000 0.000 0.207 348 L C 2.623 179.646 176.870 0.254 0.000 1.086 348 L CA 1.128 56.141 54.840 0.288 0.000 0.760 348 L CB -0.313 41.923 42.059 0.296 0.000 0.910 348 L HN 0.294 nan 8.230 nan 0.000 0.437 349 M N -0.805 118.728 119.600 -0.112 0.000 2.117 349 M HA -0.236 4.244 4.480 -0.000 0.000 0.262 349 M C 2.301 178.475 176.300 -0.210 0.000 1.065 349 M CA 1.625 56.591 55.300 -0.557 0.000 1.114 349 M CB -0.306 31.807 32.600 -0.812 0.000 1.361 349 M HN 0.218 nan 8.290 nan 0.000 0.408 350 L N 0.538 121.717 121.223 -0.074 0.000 2.056 350 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 350 L C 2.214 179.101 176.870 0.028 0.000 1.078 350 L CA 2.010 56.845 54.840 -0.009 0.000 0.749 350 L CB -0.601 41.474 42.059 0.027 0.000 0.901 350 L HN 0.216 nan 8.230 nan 0.000 0.433 351 E N -1.406 118.835 120.200 0.069 0.000 2.106 351 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 351 E C 1.762 178.247 176.600 -0.193 0.000 0.984 351 E CA 1.454 57.838 56.400 -0.027 0.000 0.806 351 E CB -0.077 29.656 29.700 0.056 0.000 0.750 351 E HN 0.632 nan 8.360 nan 0.000 0.458 352 H N -1.513 117.669 119.070 0.188 0.000 2.586 352 H HA 0.286 4.842 4.556 -0.000 0.000 0.273 352 H C 0.571 176.052 175.328 0.256 0.000 0.997 352 H CA 0.547 56.733 56.048 0.230 0.000 1.177 352 H CB 0.877 30.824 29.762 0.308 0.000 1.471 352 H HN 0.268 nan 8.280 nan 0.000 0.538 353 G N 2.003 110.943 108.800 0.233 0.000 2.324 353 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.292 353 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.292 353 G C -0.290 174.750 174.900 0.235 0.000 1.079 353 G CA 0.606 45.797 45.100 0.151 0.000 1.026 353 G HN 0.459 nan 8.290 nan 0.000 0.506 354 F N -1.929 118.004 119.950 -0.027 0.000 2.686 354 F HA 0.826 5.353 4.527 -0.000 0.000 0.311 354 F C -0.870 174.830 175.800 -0.165 0.000 1.128 354 F CA -2.834 55.126 58.000 -0.068 0.000 0.946 354 F CB 1.053 40.024 39.000 -0.047 0.000 1.336 354 F HN 0.056 nan 8.300 nan 0.000 0.457 355 I N 2.684 123.084 120.570 -0.283 0.000 2.362 355 I HA 0.634 4.804 4.170 -0.000 0.000 0.289 355 I C 0.181 176.186 176.117 -0.187 0.000 0.994 355 I CA -1.034 59.973 61.300 -0.488 0.000 1.158 355 I CB 1.568 39.428 38.000 -0.233 0.000 1.315 355 I HN 0.967 nan 8.210 nan 0.000 0.451 356 A N 9.138 131.772 122.820 -0.310 0.000 2.407 356 A HA 0.516 4.836 4.320 -0.000 0.000 0.248 356 A C -2.348 175.252 177.584 0.027 0.000 1.082 356 A CA -1.077 50.973 52.037 0.022 0.000 0.785 356 A CB -0.313 18.680 19.000 -0.010 0.000 1.020 356 A HN 0.426 nan 8.150 nan 0.000 0.489 357 P HA 0.134 nan 4.420 nan 0.000 0.277 357 P C -0.339 176.992 177.300 0.051 0.000 1.240 357 P CA -0.237 62.893 63.100 0.050 0.000 0.798 357 P CB 1.094 32.816 31.700 0.036 0.000 0.979 358 S N 2.202 117.945 115.700 0.073 0.000 2.409 358 S HA 0.356 4.826 4.470 -0.000 0.000 0.308 358 S C 0.599 175.230 174.600 0.052 0.000 1.080 358 S CA -0.725 57.524 58.200 0.081 0.000 1.081 358 S CB -1.405 61.890 63.200 0.159 0.000 1.009 358 S HN 0.320 nan 8.310 nan 0.000 0.502 359 I N 1.952 122.532 120.570 0.016 0.000 2.934 359 I HA 0.543 4.713 4.170 -0.000 0.000 0.315 359 I C 0.381 176.493 176.117 -0.008 0.000 0.997 359 I CA -0.681 60.621 61.300 0.002 0.000 1.184 359 I CB 0.453 38.444 38.000 -0.014 0.000 1.400 359 I HN 0.480 nan 8.210 nan 0.000 0.549 360 N N 1.049 119.741 118.700 -0.014 0.000 2.782 360 N HA -0.171 4.569 4.740 -0.000 0.000 0.251 360 N C -0.559 174.944 175.510 -0.011 0.000 1.101 360 N CA 0.967 53.998 53.050 -0.033 0.000 0.764 360 N CB -1.574 36.867 38.487 -0.077 0.000 1.122 360 N HN 0.634 nan 8.380 nan 0.000 0.561 361 I N 1.107 121.691 120.570 0.023 0.000 2.260 361 I HA 0.028 4.198 4.170 -0.000 0.000 0.297 361 I C 1.305 177.450 176.117 0.047 0.000 1.143 361 I CA -0.115 61.215 61.300 0.050 0.000 1.271 361 I CB 0.604 38.654 38.000 0.083 0.000 1.461 361 I HN -0.074 nan 8.210 nan 0.000 0.530 362 E N 3.184 123.415 120.200 0.052 0.000 2.190 362 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 362 E C 0.507 177.153 176.600 0.076 0.000 0.978 362 E CA 0.387 56.822 56.400 0.058 0.000 0.839 362 E CB 0.338 30.073 29.700 0.059 0.000 0.787 362 E HN 0.718 nan 8.360 nan 0.000 0.473 363 E N 0.207 120.466 120.200 0.098 0.000 2.255 363 E HA 0.270 4.620 4.350 -0.000 0.000 0.256 363 E C -0.957 175.681 176.600 0.064 0.000 0.887 363 E CA -0.316 56.137 56.400 0.088 0.000 0.782 363 E CB 0.960 30.737 29.700 0.129 0.000 1.214 363 E HN 0.106 nan 8.360 nan 0.000 0.417 364 L N 3.798 125.052 121.223 0.051 0.000 2.453 364 L HA 0.075 4.415 4.340 -0.000 0.000 0.272 364 L C 0.523 177.413 176.870 0.034 0.000 1.182 364 L CA 0.352 55.222 54.840 0.049 0.000 0.858 364 L CB 0.633 42.709 42.059 0.029 0.000 1.120 364 L HN 0.753 nan 8.230 nan 0.000 0.474 365 D N 2.361 122.790 120.400 0.048 0.000 2.525 365 D HA -0.117 4.523 4.640 -0.000 0.000 0.235 365 D C 1.196 177.506 176.300 0.016 0.000 1.137 365 D CA 0.507 54.525 54.000 0.030 0.000 0.868 365 D CB 1.186 42.027 40.800 0.068 0.000 1.180 365 D HN 0.637 nan 8.370 nan 0.000 0.465 366 E N 2.665 122.869 120.200 0.006 0.000 2.273 366 E HA -0.227 4.123 4.350 -0.000 0.000 0.198 366 E C 1.081 177.685 176.600 0.008 0.000 1.002 366 E CA 1.142 57.545 56.400 0.006 0.000 0.828 366 E CB -0.308 29.395 29.700 0.004 0.000 0.747 366 E HN 0.589 nan 8.360 nan 0.000 0.491 367 Q N -0.654 119.155 119.800 0.014 0.000 2.222 367 Q HA 0.453 4.793 4.340 -0.000 0.000 0.206 367 Q C 1.006 177.007 176.000 0.003 0.000 0.877 367 Q CA 0.663 56.475 55.803 0.014 0.000 0.958 367 Q CB 1.039 29.793 28.738 0.027 0.000 1.075 367 Q HN 0.631 nan 8.270 nan 0.000 0.483 368 A N -0.276 122.535 122.820 -0.014 0.000 2.574 368 A HA 0.573 4.893 4.320 -0.000 0.000 0.283 368 A C 0.655 178.199 177.584 -0.068 0.000 1.270 368 A CA -0.122 51.876 52.037 -0.065 0.000 0.945 368 A CB 0.206 19.147 19.000 -0.098 0.000 1.127 368 A HN 0.172 nan 8.150 nan 0.000 0.522 369 A N -1.187 121.611 122.820 -0.036 0.000 2.351 369 A HA 0.525 4.845 4.320 -0.000 0.000 0.257 369 A C 1.478 179.043 177.584 -0.032 0.000 1.087 369 A CA 0.422 52.441 52.037 -0.030 0.000 0.798 369 A CB -0.243 18.749 19.000 -0.014 0.000 1.033 369 A HN 1.905 nan 8.150 nan 0.000 0.488 370 G N -0.273 108.510 108.800 -0.029 0.000 2.148 370 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.254 370 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.254 370 G C -0.030 174.850 174.900 -0.034 0.000 0.981 370 G CA 0.640 45.726 45.100 -0.023 0.000 0.670 370 G HN 0.723 nan 8.290 nan 0.000 0.528 371 L N -1.040 120.149 121.223 -0.057 0.000 2.299 371 L HA 0.624 4.964 4.340 -0.000 0.000 0.268 371 L C 0.358 177.182 176.870 -0.077 0.000 1.012 371 L CA -1.256 53.537 54.840 -0.078 0.000 0.816 371 L CB 1.343 43.332 42.059 -0.117 0.000 1.355 371 L HN 0.040 nan 8.230 nan 0.000 0.457 372 N N 1.204 119.851 118.700 -0.089 0.000 3.044 372 N HA 0.349 5.088 4.740 -0.000 0.000 0.254 372 N C -1.039 174.431 175.510 -0.067 0.000 1.253 372 N CA -0.220 52.791 53.050 -0.066 0.000 0.944 372 N CB -0.074 38.380 38.487 -0.055 0.000 1.217 372 N HN 0.375 nan 8.380 nan 0.000 0.498 373 I N 1.763 122.288 120.570 -0.075 0.000 2.337 373 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 373 I C 0.006 176.126 176.117 0.005 0.000 1.046 373 I CA -0.748 60.518 61.300 -0.057 0.000 1.324 373 I CB 1.041 38.970 38.000 -0.119 0.000 1.409 373 I HN -0.052 nan 8.210 nan 0.000 0.494 374 V N 5.941 125.880 119.914 0.043 0.000 2.406 374 V HA 0.131 4.251 4.120 -0.000 0.000 0.272 374 V C 1.121 177.251 176.094 0.060 0.000 1.043 374 V CA -0.059 62.272 62.300 0.051 0.000 0.915 374 V CB 1.306 33.170 31.823 0.067 0.000 0.988 374 V HN 0.918 nan 8.190 nan 0.000 0.466 375 T N -0.207 114.373 114.554 0.044 0.000 3.044 375 T HA 0.167 4.517 4.350 -0.000 0.000 0.260 375 T C 0.178 174.898 174.700 0.034 0.000 1.019 375 T CA 0.343 62.469 62.100 0.043 0.000 0.921 375 T CB 0.180 69.071 68.868 0.039 0.000 1.053 375 T HN 0.697 nan 8.240 nan 0.000 0.533 376 E N 0.158 120.377 120.200 0.033 0.000 2.292 376 E HA 0.493 4.843 4.350 -0.000 0.000 0.272 376 E C -0.831 175.793 176.600 0.039 0.000 0.881 376 E CA -0.903 55.514 56.400 0.028 0.000 0.754 376 E CB 0.468 30.180 29.700 0.020 0.000 1.201 376 E HN 0.248 nan 8.360 nan 0.000 0.425 377 T N 2.850 117.429 114.554 0.042 0.000 2.905 377 T HA 0.207 4.557 4.350 -0.000 0.000 0.299 377 T C -0.166 174.576 174.700 0.069 0.000 1.024 377 T CA 0.602 62.747 62.100 0.075 0.000 1.151 377 T CB 0.131 69.027 68.868 0.047 0.000 0.987 377 T HN 0.669 nan 8.240 nan 0.000 0.535 378 T N 4.065 118.678 114.554 0.099 0.000 2.890 378 T HA 0.219 4.569 4.350 -0.000 0.000 0.295 378 T C -0.540 174.220 174.700 0.101 0.000 0.993 378 T CA -0.907 61.235 62.100 0.070 0.000 0.979 378 T CB 1.014 69.907 68.868 0.041 0.000 0.967 378 T HN 0.453 nan 8.240 nan 0.000 0.441 379 D N 3.022 123.475 120.400 0.088 0.000 2.383 379 D HA 0.355 4.995 4.640 -0.000 0.000 0.252 379 D C 0.400 176.740 176.300 0.066 0.000 1.166 379 D CA 0.269 54.331 54.000 0.103 0.000 0.879 379 D CB 0.912 41.753 40.800 0.069 0.000 1.164 379 D HN 0.403 nan 8.370 nan 0.000 0.462 380 R N 0.334 120.872 120.500 0.064 0.000 2.579 380 R HA 0.107 4.447 4.340 -0.000 0.000 0.260 380 R C -1.445 174.871 176.300 0.028 0.000 1.103 380 R CA -0.587 55.532 56.100 0.033 0.000 0.942 380 R CB 1.320 31.629 30.300 0.015 0.000 1.251 380 R HN 0.229 nan 8.270 nan 0.000 0.450 381 E N 5.177 125.391 120.200 0.024 0.000 2.265 381 E HA 0.253 4.602 4.350 -0.000 0.000 0.272 381 E C -0.752 175.855 176.600 0.012 0.000 1.067 381 E CA -0.108 56.304 56.400 0.020 0.000 0.900 381 E CB 0.317 30.028 29.700 0.018 0.000 1.017 381 E HN 0.406 nan 8.360 nan 0.000 0.431 382 L N 3.985 125.211 121.223 0.005 0.000 2.334 382 L HA 0.534 4.874 4.340 -0.000 0.000 0.272 382 L C 1.313 178.191 176.870 0.014 0.000 1.020 382 L CA -0.662 54.182 54.840 0.008 0.000 0.812 382 L CB 2.227 44.279 42.059 -0.011 0.000 1.264 382 L HN 0.614 nan 8.230 nan 0.000 0.439 383 T N -1.511 113.056 114.554 0.022 0.000 3.028 383 T HA 0.105 4.455 4.350 -0.000 0.000 0.250 383 T C 0.198 174.914 174.700 0.028 0.000 0.979 383 T CA 0.316 62.429 62.100 0.021 0.000 1.004 383 T CB 0.686 69.565 68.868 0.018 0.000 1.120 383 T HN 0.593 nan 8.240 nan 0.000 0.482 384 T N 2.740 117.317 114.554 0.038 0.000 2.879 384 T HA 0.678 5.028 4.350 -0.000 0.000 0.290 384 T C -0.846 173.890 174.700 0.060 0.000 0.993 384 T CA -0.704 61.423 62.100 0.045 0.000 0.975 384 T CB 2.116 71.011 68.868 0.045 0.000 0.981 384 T HN 0.216 nan 8.240 nan 0.000 0.439 385 V N 1.077 121.030 119.914 0.066 0.000 3.001 385 V HA 0.893 5.013 4.120 -0.000 0.000 0.314 385 V C -0.716 175.404 176.094 0.044 0.000 1.099 385 V CA -1.250 61.101 62.300 0.084 0.000 0.989 385 V CB 2.183 34.102 31.823 0.160 0.000 1.040 385 V HN 0.993 nan 8.190 nan 0.000 0.434 386 M N 2.865 122.460 119.600 -0.008 0.000 2.530 386 M HA 0.778 5.258 4.480 -0.000 0.000 0.307 386 M C -1.071 175.187 176.300 -0.070 0.000 1.161 386 M CA -0.278 55.015 55.300 -0.012 0.000 0.903 386 M CB 2.228 34.845 32.600 0.028 0.000 1.711 386 M HN 1.007 nan 8.290 nan 0.000 0.451 387 S N 2.959 118.627 115.700 -0.053 0.000 2.614 387 S HA 0.597 5.067 4.470 -0.000 0.000 0.288 387 S C -1.530 172.989 174.600 -0.136 0.000 1.137 387 S CA -0.763 57.382 58.200 -0.092 0.000 0.992 387 S CB 1.105 64.266 63.200 -0.065 0.000 1.026 387 S HN 0.850 nan 8.310 nan 0.000 0.486 388 N N 2.066 120.623 118.700 -0.238 0.000 2.443 388 N HA 0.556 5.296 4.740 -0.000 0.000 0.295 388 N C -1.356 173.807 175.510 -0.578 0.000 1.076 388 N CA -0.407 52.334 53.050 -0.515 0.000 0.919 388 N CB 1.849 39.853 38.487 -0.804 0.000 1.176 388 N HN 0.488 nan 8.380 nan 0.000 0.487 389 S N 1.691 116.994 115.700 -0.662 0.000 2.789 389 S HA 0.455 4.925 4.470 -0.000 0.000 0.286 389 S C -1.239 173.121 174.600 -0.400 0.000 1.153 389 S CA -0.576 57.391 58.200 -0.389 0.000 1.084 389 S CB 0.147 63.243 63.200 -0.174 0.000 1.036 389 S HN 0.276 nan 8.310 nan 0.000 0.484 390 F N 2.147 121.748 119.950 -0.580 0.000 2.359 390 F HA 0.506 5.033 4.527 -0.000 0.000 0.370 390 F C 0.988 176.534 175.800 -0.423 0.000 1.077 390 F CA -1.302 56.380 58.000 -0.529 0.000 1.136 390 F CB 0.747 39.417 39.000 -0.551 0.000 1.387 390 F HN 0.609 nan 8.300 nan 0.000 0.468 391 G N 1.512 110.364 108.800 0.087 0.000 2.444 391 G HA2 0.255 4.215 3.960 -0.000 0.000 0.268 391 G HA3 0.255 4.215 3.960 -0.000 0.000 0.268 391 G C -0.651 174.400 174.900 0.252 0.000 1.203 391 G CA -0.406 44.811 45.100 0.196 0.000 0.835 391 G HN 0.375 nan 8.290 nan 0.000 0.543 392 F N 1.417 121.466 119.950 0.165 0.000 2.629 392 F HA 0.340 4.867 4.527 -0.000 0.000 0.377 392 F C 1.422 177.295 175.800 0.121 0.000 1.101 392 F CA 1.309 59.406 58.000 0.162 0.000 1.301 392 F CB 0.713 39.842 39.000 0.214 0.000 1.062 392 F HN 1.029 nan 8.300 nan 0.000 0.583 393 G N 2.740 111.224 108.800 -0.527 0.000 2.157 393 G HA2 0.020 3.979 3.960 -0.000 0.000 0.239 393 G HA3 0.020 3.979 3.960 -0.000 0.000 0.239 393 G C 0.960 175.783 174.900 -0.129 0.000 0.982 393 G CA 0.438 45.335 45.100 -0.339 0.000 0.650 393 G HN 2.226 nan 8.290 nan 0.000 0.527 394 G N -1.282 107.482 108.800 -0.059 0.000 2.182 394 G HA2 0.129 4.089 3.960 -0.000 0.000 0.248 394 G HA3 0.129 4.089 3.960 -0.000 0.000 0.248 394 G C 0.309 175.215 174.900 0.009 0.000 1.042 394 G CA 1.353 46.438 45.100 -0.026 0.000 0.775 394 G HN 2.048 nan 8.290 nan 0.000 0.501 395 T N 0.293 114.886 114.554 0.065 0.000 2.770 395 T HA 0.602 4.952 4.350 -0.000 0.000 0.283 395 T C -0.207 174.619 174.700 0.211 0.000 0.988 395 T CA -0.634 61.548 62.100 0.137 0.000 0.957 395 T CB 0.460 69.427 68.868 0.165 0.000 0.930 395 T HN 0.279 nan 8.240 nan 0.000 0.443 396 N N 2.968 121.803 118.700 0.226 0.000 2.269 396 N HA 0.720 5.460 4.740 -0.000 0.000 0.304 396 N C -1.190 174.434 175.510 0.189 0.000 1.072 396 N CA -0.595 52.612 53.050 0.261 0.000 0.802 396 N CB 2.120 40.723 38.487 0.192 0.000 1.348 396 N HN 0.764 nan 8.380 nan 0.000 0.484 397 A N 0.769 123.613 122.820 0.040 0.000 2.414 397 A HA 0.781 5.101 4.320 -0.000 0.000 0.306 397 A C -0.716 176.873 177.584 0.008 0.000 1.054 397 A CA -0.485 51.510 52.037 -0.070 0.000 0.724 397 A CB 1.345 20.076 19.000 -0.448 0.000 1.267 397 A HN 0.454 nan 8.150 nan 0.000 0.418 398 T N 2.105 116.710 114.554 0.085 0.000 2.886 398 T HA 0.602 4.952 4.350 -0.000 0.000 0.292 398 T C -0.850 173.926 174.700 0.126 0.000 1.012 398 T CA -0.233 61.907 62.100 0.067 0.000 0.982 398 T CB 0.927 69.862 68.868 0.111 0.000 1.018 398 T HN 0.493 nan 8.240 nan 0.000 0.451 399 L N 2.615 123.877 121.223 0.066 0.000 2.346 399 L HA 0.773 5.113 4.340 -0.000 0.000 0.276 399 L C -0.753 176.149 176.870 0.053 0.000 1.006 399 L CA -1.123 53.761 54.840 0.074 0.000 0.817 399 L CB 1.968 44.033 42.059 0.009 0.000 1.272 399 L HN 0.322 nan 8.230 nan 0.000 0.421 400 V N 3.883 123.837 119.914 0.066 0.000 2.448 400 V HA 0.516 4.636 4.120 -0.000 0.000 0.295 400 V C -0.096 176.023 176.094 0.041 0.000 1.025 400 V CA -0.350 61.983 62.300 0.055 0.000 0.859 400 V CB 1.812 33.676 31.823 0.069 0.000 0.988 400 V HN 0.715 nan 8.190 nan 0.000 0.431 401 M N 5.013 124.633 119.600 0.033 0.000 2.393 401 M HA 0.659 5.139 4.480 -0.000 0.000 0.316 401 M C -0.572 175.746 176.300 0.029 0.000 1.087 401 M CA -0.477 54.837 55.300 0.024 0.000 0.937 401 M CB 2.617 35.226 32.600 0.014 0.000 1.668 401 M HN 0.590 nan 8.290 nan 0.000 0.438 402 R N 1.664 122.178 120.500 0.023 0.000 2.651 402 R HA 0.447 4.787 4.340 -0.000 0.000 0.278 402 R C -1.154 175.154 176.300 0.013 0.000 1.010 402 R CA -0.785 55.328 56.100 0.021 0.000 0.896 402 R CB 2.074 32.386 30.300 0.019 0.000 1.211 402 R HN 0.634 nan 8.270 nan 0.000 0.456 403 K N 2.830 123.237 120.400 0.011 0.000 2.469 403 K HA 0.047 4.367 4.320 -0.000 0.000 0.274 403 K C 0.150 176.745 176.600 -0.008 0.000 0.983 403 K CA 0.192 56.478 56.287 -0.000 0.000 0.974 403 K CB 0.473 32.972 32.500 -0.001 0.000 0.913 403 K HN 0.396 nan 8.250 nan 0.000 0.493 404 L N 0.000 121.210 121.223 -0.022 0.000 2.949 404 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 404 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 404 L CB 0.000 42.038 42.059 -0.036 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502