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 2nq2_1_B DATA FIRST_RESID 5 DATA SEQUENCE SYPKILFGLT LLLVITAVIS LGIGRYSLSV XXXXXXXXXX XXXXXXXXXQ DATA SEQUENCE QQVIFQVRLP RILTALCVGA GLALSGVVLQ GIFRNPLVNP HIIGVTSGSA DATA SEQUENCE FGGTLAIFFG FSLYGLFTST ILFGFGTLAL VFLFSXXXXX XXLLMLILIG DATA SEQUENCE MILSGLFSAL VSLLQYISDT EEKLPSIVFW LMGSFATSNW EKLLFFFVPF DATA SEQUENCE LLCSSILLSL SWRLNLLSLD EKEAKALGVK MAPLRWLVIF LSGSLVACQV DATA SEQUENCE AISGSIGWVG LIIPHLSRML VGANHQSLLP CTMLVGATYM LLVDNVARSL DATA SEQUENCE SDAEIPISIL TALIGAPLFG VLVYKL 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.653 174.600 0.088 0.000 1.055 5 S CA 0.000 58.232 58.200 0.053 0.000 1.107 5 S CB 0.000 63.203 63.200 0.005 0.000 0.593 6 Y N 6.851 127.158 120.300 0.011 0.000 2.081 6 Y HA 0.010 4.560 4.550 0.000 0.000 0.280 6 Y C -1.315 174.615 175.900 0.051 0.000 1.163 6 Y CA 2.522 60.640 58.100 0.030 0.000 1.135 6 Y CB -1.261 37.219 38.460 0.033 0.000 0.970 6 Y HN 0.566 nan 8.280 nan 0.000 0.498 7 P HA -0.200 nan 4.420 nan 0.000 0.216 7 P C 1.234 178.479 177.300 -0.091 0.000 1.153 7 P CA 2.656 65.703 63.100 -0.089 0.000 0.858 7 P CB -0.087 31.593 31.700 -0.033 0.000 0.789 8 K N -0.671 119.654 120.400 -0.126 0.000 2.057 8 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 8 K C 2.098 178.690 176.600 -0.014 0.000 1.049 8 K CA 1.321 57.538 56.287 -0.117 0.000 0.931 8 K CB -0.708 31.737 32.500 -0.092 0.000 0.714 8 K HN 0.190 nan 8.250 nan 0.000 0.440 9 I N 1.403 121.948 120.570 -0.042 0.000 2.163 9 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 9 I C 2.329 178.428 176.117 -0.030 0.000 1.085 9 I CA 1.335 62.617 61.300 -0.031 0.000 1.347 9 I CB -0.459 37.518 38.000 -0.039 0.000 1.044 9 I HN 0.120 nan 8.210 nan 0.000 0.408 10 L N -0.374 120.780 121.223 -0.116 0.000 2.042 10 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 10 L C 2.616 179.522 176.870 0.059 0.000 1.076 10 L CA 1.474 56.267 54.840 -0.079 0.000 0.749 10 L CB -0.606 41.341 42.059 -0.187 0.000 0.893 10 L HN 0.131 nan 8.230 nan 0.000 0.432 11 F N 0.416 120.310 119.950 -0.093 0.000 2.075 11 F HA -0.120 4.407 4.527 -0.001 0.000 0.297 11 F C 2.564 178.346 175.800 -0.030 0.000 1.113 11 F CA 1.501 59.473 58.000 -0.048 0.000 1.218 11 F CB -1.327 37.650 39.000 -0.039 0.000 0.984 11 F HN 0.007 nan 8.300 nan 0.000 0.472 12 G N -0.023 108.886 108.800 0.181 0.000 2.469 12 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 12 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 12 G C 1.820 176.756 174.900 0.059 0.000 1.150 12 G CA 1.078 46.235 45.100 0.096 0.000 0.763 12 G HN 0.328 nan 8.290 nan 0.000 0.561 13 L N 0.199 121.449 121.223 0.045 0.000 2.027 13 L HA -0.065 4.274 4.340 -0.000 0.000 0.206 13 L C 3.223 180.106 176.870 0.021 0.000 1.074 13 L CA 1.570 56.430 54.840 0.033 0.000 0.745 13 L CB -0.737 41.338 42.059 0.027 0.000 0.898 13 L HN 0.176 nan 8.230 nan 0.000 0.433 14 T N 0.255 114.806 114.554 -0.005 0.000 2.788 14 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 14 T C 1.901 176.588 174.700 -0.023 0.000 1.044 14 T CA 1.164 63.244 62.100 -0.034 0.000 1.139 14 T CB -0.208 68.591 68.868 -0.114 0.000 0.867 14 T HN 0.218 nan 8.240 nan 0.000 0.454 15 L N 0.453 121.671 121.223 -0.008 0.000 2.017 15 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 15 L C 2.376 179.256 176.870 0.017 0.000 1.073 15 L CA 1.193 56.038 54.840 0.008 0.000 0.745 15 L CB -0.320 41.761 42.059 0.037 0.000 0.894 15 L HN 0.212 nan 8.230 nan 0.000 0.432 16 L N -0.197 121.042 121.223 0.026 0.000 2.079 16 L HA -0.247 4.092 4.340 -0.000 0.000 0.210 16 L C 2.248 179.134 176.870 0.027 0.000 1.081 16 L CA 1.681 56.540 54.840 0.030 0.000 0.752 16 L CB -0.519 41.564 42.059 0.040 0.000 0.896 16 L HN 0.305 nan 8.230 nan 0.000 0.433 17 L N -1.709 119.529 121.223 0.025 0.000 2.017 17 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 17 L C 2.270 179.147 176.870 0.013 0.000 1.073 17 L CA 1.638 56.493 54.840 0.025 0.000 0.745 17 L CB -0.216 41.859 42.059 0.026 0.000 0.894 17 L HN 0.127 nan 8.230 nan 0.000 0.432 18 V N 0.324 120.242 119.914 0.007 0.000 2.358 18 V HA -0.302 3.817 4.120 -0.000 0.000 0.246 18 V C 2.422 178.520 176.094 0.006 0.000 1.047 18 V CA 2.027 64.329 62.300 0.003 0.000 1.035 18 V CB -0.456 31.366 31.823 -0.002 0.000 0.658 18 V HN 0.410 nan 8.190 nan 0.000 0.452 19 I N 0.362 120.938 120.570 0.010 0.000 2.264 19 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 19 I C 2.493 178.615 176.117 0.009 0.000 1.111 19 I CA 1.913 63.220 61.300 0.012 0.000 1.382 19 I CB -0.691 37.319 38.000 0.016 0.000 1.060 19 I HN 0.336 nan 8.210 nan 0.000 0.418 20 T N 0.655 115.215 114.554 0.010 0.000 2.867 20 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 20 T C 2.045 176.744 174.700 -0.003 0.000 1.057 20 T CA 1.245 63.348 62.100 0.006 0.000 1.136 20 T CB -0.203 68.671 68.868 0.011 0.000 0.874 20 T HN 0.480 nan 8.240 nan 0.000 0.466 21 A N 0.984 123.802 122.820 -0.004 0.000 1.898 21 A HA -0.014 4.305 4.320 -0.000 0.000 0.216 21 A C 2.556 180.135 177.584 -0.008 0.000 1.181 21 A CA 1.198 53.228 52.037 -0.012 0.000 0.620 21 A CB -0.898 18.094 19.000 -0.013 0.000 0.819 21 A HN 0.352 nan 8.150 nan 0.000 0.442 22 V N 0.356 120.270 119.914 -0.001 0.000 2.270 22 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 22 V C 2.367 178.463 176.094 0.003 0.000 1.043 22 V CA 1.911 64.213 62.300 0.003 0.000 1.014 22 V CB -0.723 31.103 31.823 0.006 0.000 0.645 22 V HN 0.572 nan 8.190 nan 0.000 0.447 23 I N 0.367 120.939 120.570 0.002 0.000 2.502 23 I HA -0.256 3.913 4.170 -0.000 0.000 0.258 23 I C 2.592 178.708 176.117 -0.001 0.000 1.172 23 I CA 1.617 62.918 61.300 0.002 0.000 1.430 23 I CB -0.405 37.596 38.000 0.002 0.000 1.086 23 I HN 0.324 nan 8.210 nan 0.000 0.440 24 S N 0.856 116.553 115.700 -0.005 0.000 2.423 24 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 24 S C 1.887 176.485 174.600 -0.003 0.000 1.014 24 S CA 0.895 59.089 58.200 -0.009 0.000 0.965 24 S CB -0.095 63.093 63.200 -0.020 0.000 0.785 24 S HN 0.411 nan 8.310 nan 0.000 0.495 25 L N 0.524 121.748 121.223 0.002 0.000 2.478 25 L HA 0.165 4.505 4.340 -0.000 0.000 0.223 25 L C 2.132 179.013 176.870 0.017 0.000 1.140 25 L CA 0.689 55.536 54.840 0.012 0.000 0.842 25 L CB -0.401 41.667 42.059 0.015 0.000 0.953 25 L HN 0.405 nan 8.230 nan 0.000 0.452 26 G N 0.068 108.874 108.800 0.010 0.000 3.314 26 G HA2 0.336 4.296 3.960 -0.000 0.000 0.238 26 G HA3 0.336 4.296 3.960 -0.000 0.000 0.238 26 G C 0.382 175.285 174.900 0.005 0.000 1.184 26 G CA -0.146 44.959 45.100 0.009 0.000 0.806 26 G HN 0.150 nan 8.290 nan 0.000 0.536 27 I N -0.113 120.461 120.570 0.007 0.000 2.608 27 I HA 0.672 4.842 4.170 -0.000 0.000 0.295 27 I C 0.562 176.685 176.117 0.010 0.000 1.049 27 I CA -0.500 60.801 61.300 0.002 0.000 1.063 27 I CB 2.186 40.185 38.000 -0.003 0.000 1.248 27 I HN 0.265 nan 8.210 nan 0.000 0.424 28 G N 4.228 113.030 108.800 0.003 0.000 2.592 28 G HA2 -0.139 3.820 3.960 -0.000 0.000 0.684 28 G HA3 -0.139 3.820 3.960 -0.000 0.000 0.684 28 G C 0.236 175.139 174.900 0.005 0.000 1.291 28 G CA -0.502 44.605 45.100 0.013 0.000 0.891 28 G HN 0.686 nan 8.290 nan 0.000 0.544 29 R N -0.665 119.848 120.500 0.022 0.000 2.196 29 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 29 R C 0.786 176.977 176.300 -0.181 0.000 1.113 29 R CA 2.451 58.520 56.100 -0.052 0.000 0.899 29 R CB -0.377 30.001 30.300 0.130 0.000 0.863 29 R HN 0.489 nan 8.270 nan 0.000 0.430 30 Y N 1.492 121.792 120.300 0.001 0.000 2.888 30 Y HA 0.264 4.814 4.550 -0.001 0.000 0.341 30 Y C 0.392 176.293 175.900 0.002 0.000 1.241 30 Y CA -0.545 57.557 58.100 0.003 0.000 1.440 30 Y CB 0.479 38.943 38.460 0.006 0.000 1.517 30 Y HN 0.069 nan 8.280 nan 0.000 0.518 31 S N 1.554 117.296 115.700 0.071 0.000 2.629 31 S HA 0.310 4.779 4.470 -0.000 0.000 0.250 31 S C 0.245 174.877 174.600 0.053 0.000 1.318 31 S CA -0.300 57.930 58.200 0.049 0.000 0.970 31 S CB 0.523 63.731 63.200 0.013 0.000 0.996 31 S HN 0.317 nan 8.310 nan 0.000 0.563 32 L N -0.280 120.963 121.223 0.033 0.000 2.216 32 L HA 0.478 4.818 4.340 -0.000 0.000 0.260 32 L C 0.104 176.985 176.870 0.019 0.000 1.036 32 L CA -0.516 54.342 54.840 0.030 0.000 0.914 32 L CB 1.189 43.264 42.059 0.027 0.000 1.501 32 L HN 0.481 nan 8.230 nan 0.000 0.485 33 S N 0.258 115.968 115.700 0.017 0.000 2.505 33 S HA 0.262 4.732 4.470 -0.000 0.000 0.276 33 S C 0.109 174.715 174.600 0.009 0.000 1.274 33 S CA -0.287 57.920 58.200 0.012 0.000 1.053 33 S CB 1.341 64.549 63.200 0.012 0.000 0.919 33 S HN 0.348 nan 8.310 nan 0.000 0.490 55 Q N 0.026 119.837 119.800 0.020 0.000 2.437 55 Q HA 0.358 4.697 4.340 -0.000 0.000 0.210 55 Q C 1.764 177.735 176.000 -0.049 0.000 0.972 55 Q CA 2.087 57.891 55.803 0.001 0.000 0.903 55 Q CB -0.668 28.096 28.738 0.042 0.000 0.967 55 Q HN 1.649 nan 8.270 nan 0.000 0.486 56 Q N -0.165 119.638 119.800 0.005 0.000 2.963 56 Q HA 0.687 5.027 4.340 -0.000 0.000 0.262 56 Q C 0.610 176.593 176.000 -0.028 0.000 1.318 56 Q CA 0.314 56.109 55.803 -0.013 0.000 1.089 56 Q CB -0.165 28.669 28.738 0.160 0.000 1.424 56 Q HN 1.214 nan 8.270 nan 0.000 0.560 57 V N 0.036 119.904 119.914 -0.077 0.000 3.177 57 V HA 0.452 4.572 4.120 -0.000 0.000 0.342 57 V C 1.923 177.995 176.094 -0.038 0.000 1.379 57 V CA 0.863 63.142 62.300 -0.036 0.000 1.191 57 V CB -0.405 31.399 31.823 -0.032 0.000 1.167 57 V HN 0.971 nan 8.190 nan 0.000 0.471 58 I N -1.623 118.905 120.570 -0.071 0.000 3.102 58 I HA 0.035 4.205 4.170 -0.000 0.000 0.278 58 I C 2.341 178.467 176.117 0.015 0.000 1.316 58 I CA 1.992 63.262 61.300 -0.051 0.000 1.425 58 I CB -2.186 35.779 38.000 -0.059 0.000 1.073 58 I HN 0.918 nan 8.210 nan 0.000 0.503 59 F N -0.620 119.349 119.950 0.032 0.000 2.724 59 F HA 0.092 4.619 4.527 -0.000 0.000 0.297 59 F C 1.825 177.697 175.800 0.121 0.000 1.200 59 F CA 1.338 59.374 58.000 0.060 0.000 1.468 59 F CB -0.612 38.423 39.000 0.059 0.000 1.116 59 F HN 0.587 nan 8.300 nan 0.000 0.599 60 Q N -0.656 119.222 119.800 0.130 0.000 2.172 60 Q HA 0.305 4.645 4.340 -0.000 0.000 0.217 60 Q C 1.033 177.162 176.000 0.214 0.000 0.832 60 Q CA 0.658 56.619 55.803 0.262 0.000 1.010 60 Q CB 0.844 29.694 28.738 0.187 0.000 1.133 60 Q HN 0.545 nan 8.270 nan 0.000 0.489 61 V N -1.425 118.533 119.914 0.074 0.000 3.332 61 V HA 0.153 4.272 4.120 -0.000 0.000 0.263 61 V C 1.825 177.882 176.094 -0.061 0.000 1.562 61 V CA 0.249 62.550 62.300 0.003 0.000 1.040 61 V CB 0.646 32.479 31.823 0.016 0.000 0.857 61 V HN 0.123 nan 8.190 nan 0.000 0.428 62 R N 0.195 120.670 120.500 -0.041 0.000 2.087 62 R HA 0.212 4.552 4.340 -0.000 0.000 0.216 62 R C 2.264 178.492 176.300 -0.121 0.000 1.114 62 R CA 0.705 56.768 56.100 -0.062 0.000 1.002 62 R CB 0.057 30.349 30.300 -0.014 0.000 0.903 62 R HN 0.390 nan 8.270 nan 0.000 0.445 63 L N 1.909 123.078 121.223 -0.091 0.000 2.012 63 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 63 L C -0.845 175.792 176.870 -0.389 0.000 1.073 63 L CA 1.449 56.214 54.840 -0.125 0.000 0.748 63 L CB -0.734 41.362 42.059 0.063 0.000 0.891 63 L HN 0.209 nan 8.230 nan 0.000 0.431 64 P HA -0.193 nan 4.420 nan 0.000 0.225 64 P C 1.230 178.168 177.300 -0.603 0.000 1.148 64 P CA 1.336 63.771 63.100 -1.108 0.000 0.779 64 P CB -0.147 30.619 31.700 -1.557 0.000 0.780 65 R N 0.010 120.268 120.500 -0.405 0.000 2.112 65 R HA 0.094 4.434 4.340 -0.000 0.000 0.216 65 R C 2.470 178.566 176.300 -0.339 0.000 1.080 65 R CA 0.488 56.394 56.100 -0.324 0.000 0.996 65 R CB -0.590 29.597 30.300 -0.188 0.000 0.902 65 R HN 0.051 nan 8.270 nan 0.000 0.449 66 I N 0.892 121.306 120.570 -0.261 0.000 2.226 66 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 66 I C 1.663 177.630 176.117 -0.249 0.000 1.100 66 I CA 0.849 62.024 61.300 -0.209 0.000 1.374 66 I CB -0.136 37.783 38.000 -0.135 0.000 1.057 66 I HN 0.201 nan 8.210 nan 0.000 0.413 67 L N 0.176 121.228 121.223 -0.285 0.000 2.141 67 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 67 L C 2.549 179.232 176.870 -0.311 0.000 1.094 67 L CA 1.900 56.578 54.840 -0.269 0.000 0.763 67 L CB -1.237 40.639 42.059 -0.306 0.000 0.908 67 L HN 0.199 nan 8.230 nan 0.000 0.437 68 T N -0.764 113.538 114.554 -0.420 0.000 2.812 68 T HA -0.106 4.244 4.350 -0.000 0.000 0.264 68 T C 1.985 176.261 174.700 -0.707 0.000 1.042 68 T CA 1.165 62.956 62.100 -0.514 0.000 1.140 68 T CB -0.275 68.249 68.868 -0.574 0.000 0.870 68 T HN 0.386 nan 8.240 nan 0.000 0.445 69 A N 1.307 123.625 122.820 -0.838 0.000 1.902 69 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 69 A C 2.294 179.711 177.584 -0.278 0.000 1.181 69 A CA 1.157 52.738 52.037 -0.760 0.000 0.623 69 A CB -0.850 17.873 19.000 -0.462 0.000 0.818 69 A HN 0.453 nan 8.150 nan 0.000 0.443 70 L N -0.820 120.272 121.223 -0.218 0.000 1.994 70 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 70 L C 2.786 179.600 176.870 -0.093 0.000 1.071 70 L CA 1.607 56.391 54.840 -0.093 0.000 0.745 70 L CB -0.848 41.167 42.059 -0.072 0.000 0.892 70 L HN 0.479 nan 8.230 nan 0.000 0.431 71 C N -1.067 118.109 119.300 -0.207 0.000 2.429 71 C HA -0.109 4.351 4.460 -0.000 0.000 0.277 71 C C 2.844 177.704 174.990 -0.217 0.000 1.262 71 C CA 0.323 59.088 59.018 -0.422 0.000 1.733 71 C CB -0.520 26.969 27.740 -0.419 0.000 2.010 71 C HN 0.349 nan 8.230 nan 0.000 0.483 72 V N 1.219 121.015 119.914 -0.197 0.000 2.427 72 V HA -0.063 4.057 4.120 -0.000 0.000 0.248 72 V C 2.618 178.773 176.094 0.102 0.000 1.051 72 V CA 2.321 64.555 62.300 -0.111 0.000 1.048 72 V CB -1.353 30.386 31.823 -0.139 0.000 0.666 72 V HN 0.659 nan 8.190 nan 0.000 0.456 73 G N -0.335 108.530 108.800 0.108 0.000 2.404 73 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 73 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 73 G C 1.793 176.813 174.900 0.199 0.000 1.174 73 G CA 0.986 46.195 45.100 0.180 0.000 0.780 73 G HN 0.584 nan 8.290 nan 0.000 0.537 74 A N 0.835 123.779 122.820 0.207 0.000 1.908 74 A HA 0.126 4.446 4.320 -0.000 0.000 0.218 74 A C 2.687 180.493 177.584 0.370 0.000 1.181 74 A CA 2.187 54.399 52.037 0.292 0.000 0.627 74 A CB -1.034 18.202 19.000 0.393 0.000 0.818 74 A HN 0.543 nan 8.150 nan 0.000 0.445 75 G N -0.644 108.440 108.800 0.473 0.000 2.403 75 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.216 75 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.216 75 G C 1.546 176.622 174.900 0.293 0.000 1.154 75 G CA 0.880 46.278 45.100 0.496 0.000 0.784 75 G HN 0.420 nan 8.290 nan 0.000 0.538 76 L N 0.409 121.775 121.223 0.237 0.000 2.109 76 L HA 0.055 4.395 4.340 -0.000 0.000 0.207 76 L C 3.361 180.298 176.870 0.111 0.000 1.086 76 L CA 0.847 55.782 54.840 0.159 0.000 0.760 76 L CB -0.287 41.863 42.059 0.152 0.000 0.910 76 L HN 0.303 nan 8.230 nan 0.000 0.437 77 A N -0.122 122.777 122.820 0.132 0.000 1.902 77 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 77 A C 2.276 179.913 177.584 0.089 0.000 1.181 77 A CA 1.242 53.337 52.037 0.097 0.000 0.623 77 A CB -0.653 18.414 19.000 0.112 0.000 0.818 77 A HN 0.354 nan 8.150 nan 0.000 0.443 78 L N -0.268 121.025 121.223 0.116 0.000 2.017 78 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 78 L C 2.694 179.602 176.870 0.063 0.000 1.073 78 L CA 2.014 56.909 54.840 0.092 0.000 0.745 78 L CB -0.369 41.750 42.059 0.099 0.000 0.894 78 L HN 0.394 nan 8.230 nan 0.000 0.432 79 S N -0.247 115.491 115.700 0.064 0.000 2.368 79 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 79 S C 1.830 176.432 174.600 0.003 0.000 1.030 79 S CA 1.103 59.322 58.200 0.032 0.000 0.999 79 S CB -0.611 62.610 63.200 0.035 0.000 0.844 79 S HN 0.684 nan 8.310 nan 0.000 0.459 80 G N 0.969 109.765 108.800 -0.008 0.000 2.433 80 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 80 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 80 G C 1.529 176.436 174.900 0.011 0.000 1.186 80 G CA 0.946 46.026 45.100 -0.034 0.000 0.779 80 G HN 0.416 nan 8.290 nan 0.000 0.543 81 V N 1.317 121.256 119.914 0.042 0.000 2.407 81 V HA -0.169 3.950 4.120 -0.000 0.000 0.248 81 V C 3.143 179.293 176.094 0.093 0.000 1.055 81 V CA 2.366 64.712 62.300 0.076 0.000 1.049 81 V CB -0.200 31.677 31.823 0.090 0.000 0.662 81 V HN 0.368 nan 8.190 nan 0.000 0.455 82 V N -1.610 118.337 119.914 0.056 0.000 2.548 82 V HA -0.142 3.978 4.120 -0.000 0.000 0.249 82 V C 2.263 178.360 176.094 0.004 0.000 1.055 82 V CA 2.059 64.365 62.300 0.010 0.000 1.065 82 V CB -0.861 30.952 31.823 -0.017 0.000 0.681 82 V HN 0.477 nan 8.190 nan 0.000 0.462 83 L N -0.283 120.964 121.223 0.041 0.000 2.109 83 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 83 L C 2.997 179.975 176.870 0.180 0.000 1.086 83 L CA 1.696 56.607 54.840 0.119 0.000 0.760 83 L CB -0.600 41.510 42.059 0.085 0.000 0.910 83 L HN 0.356 nan 8.230 nan 0.000 0.437 84 Q N -0.246 119.616 119.800 0.104 0.000 2.167 84 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 84 Q C 2.274 178.340 176.000 0.110 0.000 0.970 84 Q CA 1.352 57.221 55.803 0.109 0.000 0.855 84 Q CB -0.281 28.506 28.738 0.081 0.000 0.911 84 Q HN 0.597 nan 8.270 nan 0.000 0.438 85 G N 0.950 109.802 108.800 0.086 0.000 2.394 85 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 85 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 85 G C 1.422 176.261 174.900 -0.102 0.000 1.165 85 G CA 0.323 45.432 45.100 0.016 0.000 0.784 85 G HN 0.188 nan 8.290 nan 0.000 0.535 86 I N -0.312 120.171 120.570 -0.145 0.000 2.179 86 I HA -0.096 4.073 4.170 -0.000 0.000 0.242 86 I C 1.964 177.821 176.117 -0.432 0.000 1.088 86 I CA 1.026 62.124 61.300 -0.336 0.000 1.357 86 I CB -0.171 37.550 38.000 -0.464 0.000 1.051 86 I HN 0.081 nan 8.210 nan 0.000 0.409 87 F N 0.848 120.736 119.950 -0.103 0.000 2.797 87 F HA 0.169 4.695 4.527 -0.002 0.000 0.302 87 F C 0.909 176.673 175.800 -0.060 0.000 1.130 87 F CA 0.012 57.960 58.000 -0.085 0.000 1.387 87 F CB -0.224 38.728 39.000 -0.080 0.000 1.107 87 F HN -0.046 nan 8.300 nan 0.000 0.577 88 R N 0.917 121.446 120.500 0.048 0.000 3.502 88 R HA -0.294 4.046 4.340 -0.000 0.000 0.266 88 R C -0.474 175.865 176.300 0.065 0.000 1.077 88 R CA 0.814 56.935 56.100 0.036 0.000 0.718 88 R CB -2.561 27.737 30.300 -0.002 0.000 1.120 88 R HN 0.522 nan 8.270 nan 0.000 0.457 89 N N -0.261 118.495 118.700 0.093 0.000 2.397 89 N HA 0.221 4.961 4.740 -0.000 0.000 0.291 89 N C -2.110 173.434 175.510 0.058 0.000 1.065 89 N CA -1.849 51.242 53.050 0.068 0.000 0.884 89 N CB 1.835 40.361 38.487 0.065 0.000 1.551 89 N HN -0.249 nan 8.380 nan 0.000 0.487 90 P HA 0.027 nan 4.420 nan 0.000 0.241 90 P C 0.550 177.879 177.300 0.049 0.000 1.191 90 P CA 0.510 63.644 63.100 0.057 0.000 0.771 90 P CB 0.401 32.140 31.700 0.065 0.000 0.929 91 L N -0.705 120.533 121.223 0.026 0.000 2.653 91 L HA 0.190 4.530 4.340 -0.000 0.000 0.231 91 L C 0.758 177.575 176.870 -0.088 0.000 1.153 91 L CA -0.294 54.546 54.840 0.001 0.000 0.933 91 L CB 0.349 42.422 42.059 0.024 0.000 1.175 91 L HN -0.239 nan 8.230 nan 0.000 0.473 92 V N 1.145 121.006 119.914 -0.087 0.000 2.743 92 V HA 0.290 4.410 4.120 -0.000 0.000 0.301 92 V C -0.284 175.704 176.094 -0.177 0.000 1.057 92 V CA -0.413 61.791 62.300 -0.161 0.000 1.006 92 V CB 1.859 33.599 31.823 -0.140 0.000 1.024 92 V HN 0.570 nan 8.190 nan 0.000 0.473 93 N N 3.470 122.019 118.700 -0.251 0.000 2.774 93 N HA 0.548 5.288 4.740 -0.000 0.000 0.264 93 N C -2.502 172.788 175.510 -0.366 0.000 1.415 93 N CA -1.572 51.290 53.050 -0.314 0.000 0.815 93 N CB 1.175 39.411 38.487 -0.418 0.000 1.514 93 N HN 0.246 nan 8.380 nan 0.000 0.523 94 P HA -0.105 nan 4.420 nan 0.000 0.236 94 P C -0.485 176.626 177.300 -0.316 0.000 1.172 94 P CA 1.165 64.037 63.100 -0.379 0.000 0.759 94 P CB -0.155 31.358 31.700 -0.311 0.000 0.843 95 H N -0.815 118.188 119.070 -0.113 0.000 2.486 95 H HA 0.257 4.813 4.556 -0.001 0.000 0.284 95 H C 1.603 176.857 175.328 -0.124 0.000 1.103 95 H CA -0.230 55.754 56.048 -0.107 0.000 1.089 95 H CB -0.245 29.443 29.762 -0.123 0.000 1.603 95 H HN 0.319 nan 8.280 nan 0.000 0.557 96 I N -2.596 117.906 120.570 -0.114 0.000 3.783 96 I HA 0.108 4.278 4.170 -0.000 0.000 0.310 96 I C 1.432 177.465 176.117 -0.139 0.000 1.274 96 I CA 0.251 61.447 61.300 -0.174 0.000 1.294 96 I CB 0.263 38.052 38.000 -0.353 0.000 1.051 96 I HN -0.077 nan 8.210 nan 0.000 0.435 97 I N 2.120 122.646 120.570 -0.074 0.000 3.793 97 I HA 0.392 4.561 4.170 -0.000 0.000 0.315 97 I C 1.556 177.706 176.117 0.054 0.000 1.275 97 I CA 0.785 62.087 61.300 0.003 0.000 1.214 97 I CB -0.357 37.659 38.000 0.027 0.000 1.018 97 I HN 0.462 nan 8.210 nan 0.000 0.439 98 G N -0.206 108.625 108.800 0.052 0.000 2.179 98 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.260 98 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.260 98 G C 1.079 176.007 174.900 0.046 0.000 0.977 98 G CA 0.510 45.657 45.100 0.079 0.000 0.641 98 G HN 0.279 nan 8.290 nan 0.000 0.533 99 V N 1.601 121.543 119.914 0.046 0.000 2.515 99 V HA -0.165 3.955 4.120 -0.000 0.000 0.250 99 V C 3.109 179.227 176.094 0.041 0.000 1.058 99 V CA 3.128 65.452 62.300 0.039 0.000 1.064 99 V CB -0.932 30.924 31.823 0.054 0.000 0.675 99 V HN 0.847 nan 8.190 nan 0.000 0.461 100 T N -2.925 111.664 114.554 0.059 0.000 2.857 100 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 100 T C 2.008 176.697 174.700 -0.017 0.000 1.048 100 T CA 1.591 63.706 62.100 0.024 0.000 1.139 100 T CB -0.331 68.512 68.868 -0.041 0.000 0.874 100 T HN 0.385 nan 8.240 nan 0.000 0.455 101 S N 1.449 117.135 115.700 -0.024 0.000 2.355 101 S HA 0.117 4.586 4.470 -0.000 0.000 0.222 101 S C 2.476 176.993 174.600 -0.138 0.000 1.031 101 S CA 1.021 59.217 58.200 -0.007 0.000 0.993 101 S CB -1.100 62.148 63.200 0.079 0.000 0.859 101 S HN 0.741 nan 8.310 nan 0.000 0.453 102 G N 1.262 109.781 108.800 -0.468 0.000 2.446 102 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 102 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 102 G C 1.598 176.405 174.900 -0.155 0.000 1.168 102 G CA 1.284 45.827 45.100 -0.928 0.000 0.771 102 G HN 0.515 nan 8.290 nan 0.000 0.551 103 S N 1.079 116.796 115.700 0.028 0.000 2.368 103 S HA -0.045 4.425 4.470 -0.000 0.000 0.225 103 S C 2.809 177.573 174.600 0.274 0.000 1.030 103 S CA 1.276 59.598 58.200 0.203 0.000 0.999 103 S CB -0.458 62.870 63.200 0.214 0.000 0.844 103 S HN 0.616 nan 8.310 nan 0.000 0.459 104 A N 1.067 124.015 122.820 0.213 0.000 1.908 104 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 104 A C 1.914 179.710 177.584 0.353 0.000 1.181 104 A CA 1.652 53.877 52.037 0.314 0.000 0.627 104 A CB -0.875 18.210 19.000 0.141 0.000 0.818 104 A HN 0.508 nan 8.150 nan 0.000 0.445 105 F N 1.197 121.185 119.950 0.064 0.000 2.102 105 F HA 0.002 4.530 4.527 0.000 0.000 0.298 105 F C 2.307 177.997 175.800 -0.183 0.000 1.105 105 F CA 1.432 59.418 58.000 -0.024 0.000 1.239 105 F CB -0.914 38.127 39.000 0.068 0.000 0.991 105 F HN 0.184 nan 8.300 nan 0.000 0.474 106 G N -0.339 108.244 108.800 -0.361 0.000 2.440 106 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.218 106 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.218 106 G C 1.906 176.638 174.900 -0.280 0.000 1.154 106 G CA 0.743 45.602 45.100 -0.402 0.000 0.767 106 G HN 0.641 nan 8.290 nan 0.000 0.552 107 G N -0.451 108.248 108.800 -0.167 0.000 2.448 107 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.218 107 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.218 107 G C 1.772 176.181 174.900 -0.819 0.000 1.135 107 G CA 1.566 46.285 45.100 -0.635 0.000 0.784 107 G HN 0.390 nan 8.290 nan 0.000 0.543 108 T N 0.929 115.229 114.554 -0.424 0.000 2.851 108 T HA -0.038 4.312 4.350 -0.000 0.000 0.262 108 T C 2.209 176.651 174.700 -0.430 0.000 1.043 108 T CA 0.752 62.674 62.100 -0.296 0.000 1.140 108 T CB -0.143 68.694 68.868 -0.053 0.000 0.872 108 T HN 0.117 nan 8.240 nan 0.000 0.446 109 L N 1.403 122.239 121.223 -0.645 0.000 2.131 109 L HA 0.050 4.390 4.340 -0.000 0.000 0.210 109 L C 2.488 179.038 176.870 -0.534 0.000 1.092 109 L CA 1.578 56.018 54.840 -0.668 0.000 0.759 109 L CB -0.763 40.746 42.059 -0.917 0.000 0.903 109 L HN 0.221 nan 8.230 nan 0.000 0.435 110 A N -0.609 121.880 122.820 -0.552 0.000 1.897 110 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 110 A C 2.241 179.460 177.584 -0.607 0.000 1.181 110 A CA 1.714 53.311 52.037 -0.733 0.000 0.620 110 A CB -0.679 18.155 19.000 -0.276 0.000 0.821 110 A HN 0.453 nan 8.150 nan 0.000 0.443 111 I N -1.781 118.516 120.570 -0.454 0.000 2.252 111 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 111 I C 2.336 178.288 176.117 -0.275 0.000 1.102 111 I CA 1.448 62.554 61.300 -0.324 0.000 1.385 111 I CB -0.350 37.480 38.000 -0.284 0.000 1.064 111 I HN 0.449 nan 8.210 nan 0.000 0.414 112 F N 1.300 120.957 119.950 -0.487 0.000 2.161 112 F HA -0.244 4.283 4.527 0.000 0.000 0.300 112 F C 1.612 177.068 175.800 -0.574 0.000 1.089 112 F CA 1.642 59.311 58.000 -0.553 0.000 1.282 112 F CB -0.085 38.469 39.000 -0.742 0.000 1.010 112 F HN -0.072 nan 8.300 nan 0.000 0.485 113 F N 0.740 120.499 119.950 -0.319 0.000 2.645 113 F HA 0.350 4.877 4.527 -0.001 0.000 0.300 113 F C 1.633 177.299 175.800 -0.223 0.000 1.115 113 F CA -0.048 57.752 58.000 -0.333 0.000 1.355 113 F CB -0.416 38.341 39.000 -0.406 0.000 1.026 113 F HN 0.043 nan 8.300 nan 0.000 0.536 114 G N 0.808 109.543 108.800 -0.109 0.000 2.341 114 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.292 114 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.292 114 G C 0.542 175.540 174.900 0.163 0.000 1.021 114 G CA -0.128 44.965 45.100 -0.011 0.000 0.905 114 G HN 0.387 nan 8.290 nan 0.000 0.508 115 F N 0.649 120.596 119.950 -0.006 0.000 2.532 115 F HA 0.245 4.772 4.527 -0.001 0.000 0.323 115 F C 1.752 177.511 175.800 -0.067 0.000 1.234 115 F CA -0.288 57.697 58.000 -0.024 0.000 1.323 115 F CB 0.382 39.369 39.000 -0.023 0.000 1.183 115 F HN 0.369 nan 8.300 nan 0.000 0.589 116 S N 0.921 116.699 115.700 0.131 0.000 2.645 116 S HA 0.167 4.637 4.470 -0.000 0.000 0.266 116 S C 0.925 175.479 174.600 -0.077 0.000 1.258 116 S CA -0.942 57.273 58.200 0.025 0.000 0.990 116 S CB 1.141 64.359 63.200 0.031 0.000 0.967 116 S HN 0.725 nan 8.310 nan 0.000 0.556 117 L N -0.177 120.937 121.223 -0.183 0.000 2.043 117 L HA -0.180 4.159 4.340 -0.000 0.000 0.212 117 L C 1.971 178.253 176.870 -0.979 0.000 1.075 117 L CA 1.812 56.322 54.840 -0.550 0.000 0.752 117 L CB -0.442 41.249 42.059 -0.613 0.000 0.891 117 L HN 0.798 nan 8.230 nan 0.000 0.432 118 Y N -1.053 118.890 120.300 -0.595 0.000 2.457 118 Y HA -0.032 4.517 4.550 -0.001 0.000 0.292 118 Y C 2.426 178.195 175.900 -0.219 0.000 1.125 118 Y CA 0.827 58.637 58.100 -0.484 0.000 1.254 118 Y CB -0.799 37.531 38.460 -0.217 0.000 1.012 118 Y HN 0.138 nan 8.280 nan 0.000 0.555 119 G N -0.108 108.679 108.800 -0.021 0.000 2.421 119 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 119 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 119 G C 1.667 176.665 174.900 0.164 0.000 1.143 119 G CA 0.676 45.796 45.100 0.033 0.000 0.784 119 G HN 0.435 nan 8.290 nan 0.000 0.541 120 L N -0.856 120.378 121.223 0.018 0.000 2.044 120 L HA 0.147 4.487 4.340 -0.000 0.000 0.205 120 L C 2.654 179.624 176.870 0.167 0.000 1.075 120 L CA 1.098 55.933 54.840 -0.009 0.000 0.747 120 L CB -0.261 41.673 42.059 -0.209 0.000 0.903 120 L HN 0.268 nan 8.230 nan 0.000 0.435 121 F N -0.391 119.542 119.950 -0.028 0.000 2.043 121 F HA -0.333 4.193 4.527 -0.000 0.000 0.297 121 F C 2.828 178.707 175.800 0.132 0.000 1.121 121 F CA 1.528 59.522 58.000 -0.009 0.000 1.199 121 F CB -0.776 38.012 39.000 -0.353 0.000 0.968 121 F HN 0.192 nan 8.300 nan 0.000 0.478 122 T N -1.391 113.359 114.554 0.327 0.000 2.788 122 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 122 T C 2.164 177.003 174.700 0.231 0.000 1.044 122 T CA 1.740 63.983 62.100 0.237 0.000 1.139 122 T CB -0.397 68.565 68.868 0.156 0.000 0.867 122 T HN 0.211 nan 8.240 nan 0.000 0.454 123 S N -0.501 115.364 115.700 0.276 0.000 2.357 123 S HA -0.081 4.389 4.470 -0.000 0.000 0.221 123 S C 2.215 177.053 174.600 0.398 0.000 1.031 123 S CA 1.996 60.411 58.200 0.359 0.000 0.982 123 S CB -0.898 62.519 63.200 0.362 0.000 0.853 123 S HN 0.694 nan 8.310 nan 0.000 0.458 124 T N 2.810 117.555 114.554 0.318 0.000 2.622 124 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 124 T C 1.742 176.671 174.700 0.382 0.000 1.047 124 T CA 1.773 64.084 62.100 0.351 0.000 1.159 124 T CB -0.499 68.611 68.868 0.403 0.000 0.863 124 T HN 0.389 nan 8.240 nan 0.000 0.422 125 I N 0.929 121.712 120.570 0.355 0.000 2.208 125 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 125 I C 2.483 178.758 176.117 0.263 0.000 1.097 125 I CA 0.816 62.318 61.300 0.337 0.000 1.363 125 I CB -0.408 37.727 38.000 0.225 0.000 1.051 125 I HN 0.205 nan 8.210 nan 0.000 0.413 126 L N 0.513 121.834 121.223 0.164 0.000 2.012 126 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 126 L C 2.406 179.329 176.870 0.089 0.000 1.073 126 L CA 2.306 57.174 54.840 0.047 0.000 0.748 126 L CB -0.854 41.203 42.059 -0.005 0.000 0.891 126 L HN 0.142 nan 8.230 nan 0.000 0.431 127 F N -0.160 119.915 119.950 0.209 0.000 2.407 127 F HA 0.000 4.527 4.527 -0.001 0.000 0.299 127 F C 2.411 178.305 175.800 0.157 0.000 1.097 127 F CA 0.864 58.989 58.000 0.209 0.000 1.422 127 F CB -0.680 38.454 39.000 0.222 0.000 1.067 127 F HN 0.144 nan 8.300 nan 0.000 0.539 128 G N -0.224 108.801 108.800 0.376 0.000 2.434 128 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.214 128 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.214 128 G C 1.538 176.630 174.900 0.320 0.000 1.202 128 G CA 0.569 45.851 45.100 0.305 0.000 0.788 128 G HN 0.178 nan 8.290 nan 0.000 0.539 129 F N 1.916 121.954 119.950 0.148 0.000 2.095 129 F HA -0.017 4.510 4.527 0.000 0.000 0.298 129 F C 2.953 178.839 175.800 0.143 0.000 1.104 129 F CA 1.062 59.157 58.000 0.157 0.000 1.232 129 F CB -0.905 38.166 39.000 0.118 0.000 0.987 129 F HN 0.183 nan 8.300 nan 0.000 0.475 130 G N -1.066 107.910 108.800 0.295 0.000 2.469 130 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 130 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 130 G C 1.703 176.720 174.900 0.195 0.000 1.150 130 G CA 1.635 46.843 45.100 0.180 0.000 0.763 130 G HN 0.349 nan 8.290 nan 0.000 0.561 131 T N 1.603 116.280 114.554 0.205 0.000 2.746 131 T HA -0.059 4.290 4.350 -0.000 0.000 0.267 131 T C 2.325 177.114 174.700 0.148 0.000 1.039 131 T CA 0.782 62.996 62.100 0.191 0.000 1.142 131 T CB -0.129 68.793 68.868 0.089 0.000 0.866 131 T HN 0.008 nan 8.240 nan 0.000 0.444 132 L N 1.274 122.571 121.223 0.123 0.000 2.012 132 L HA -0.038 4.301 4.340 -0.000 0.000 0.210 132 L C 3.007 179.960 176.870 0.139 0.000 1.073 132 L CA 1.973 56.842 54.840 0.049 0.000 0.748 132 L CB -1.884 40.152 42.059 -0.038 0.000 0.891 132 L HN 0.267 nan 8.230 nan 0.000 0.431 133 A N -0.247 122.707 122.820 0.224 0.000 1.883 133 A HA -0.205 4.114 4.320 -0.000 0.000 0.217 133 A C 2.411 180.054 177.584 0.099 0.000 1.186 133 A CA 1.625 53.782 52.037 0.200 0.000 0.624 133 A CB -0.730 18.355 19.000 0.142 0.000 0.822 133 A HN 0.392 nan 8.150 nan 0.000 0.444 134 L N -0.574 120.654 121.223 0.008 0.000 2.017 134 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 134 L C 2.554 179.310 176.870 -0.190 0.000 1.073 134 L CA 1.329 56.026 54.840 -0.237 0.000 0.745 134 L CB -0.661 41.283 42.059 -0.193 0.000 0.894 134 L HN 0.265 nan 8.230 nan 0.000 0.432 135 V N -0.502 119.456 119.914 0.072 0.000 2.392 135 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 135 V C 2.214 178.466 176.094 0.263 0.000 1.059 135 V CA 1.888 64.324 62.300 0.227 0.000 1.051 135 V CB -0.644 31.349 31.823 0.283 0.000 0.658 135 V HN 0.319 nan 8.190 nan 0.000 0.455 136 F N 0.026 119.941 119.950 -0.059 0.000 2.060 136 F HA -0.136 4.393 4.527 0.004 0.000 0.295 136 F C 2.164 177.855 175.800 -0.182 0.000 1.120 136 F CA 1.554 59.314 58.000 -0.401 0.000 1.205 136 F CB -0.353 38.325 39.000 -0.536 0.000 0.986 136 F HN -0.039 nan 8.300 nan 0.000 0.470 137 L N -0.091 121.063 121.223 -0.116 0.000 1.971 137 L HA -0.284 4.056 4.340 -0.000 0.000 0.215 137 L C 2.580 179.444 176.870 -0.009 0.000 1.072 137 L CA 1.981 56.730 54.840 -0.152 0.000 0.758 137 L CB -1.856 40.115 42.059 -0.146 0.000 0.889 137 L HN 0.223 nan 8.230 nan 0.000 0.433 138 F N 0.280 120.224 119.950 -0.009 0.000 2.605 138 F HA -0.134 4.393 4.527 -0.001 0.000 0.296 138 F C 1.686 177.486 175.800 0.000 0.000 1.146 138 F CA -0.225 57.781 58.000 0.010 0.000 1.478 138 F CB -0.161 38.871 39.000 0.053 0.000 1.107 138 F HN 0.249 nan 8.300 nan 0.000 0.600 148 L N 0.142 121.430 121.223 0.108 0.000 2.131 148 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 148 L C 2.243 179.163 176.870 0.084 0.000 1.092 148 L CA 1.778 56.674 54.840 0.093 0.000 0.759 148 L CB -0.384 41.705 42.059 0.050 0.000 0.903 148 L HN 0.378 nan 8.230 nan 0.000 0.435 149 M N -0.307 119.341 119.600 0.080 0.000 2.159 149 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 149 M C 2.329 178.699 176.300 0.117 0.000 1.063 149 M CA 1.443 56.791 55.300 0.080 0.000 1.110 149 M CB -0.972 31.672 32.600 0.072 0.000 1.374 149 M HN 0.293 nan 8.290 nan 0.000 0.411 150 L N -0.801 120.517 121.223 0.158 0.000 2.083 150 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 150 L C 2.351 179.311 176.870 0.149 0.000 1.083 150 L CA 1.039 56.000 54.840 0.203 0.000 0.752 150 L CB -0.636 41.579 42.059 0.260 0.000 0.899 150 L HN 0.239 nan 8.230 nan 0.000 0.433 151 I N -0.613 120.016 120.570 0.097 0.000 2.252 151 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 151 I C 2.385 178.503 176.117 0.002 0.000 1.102 151 I CA 1.001 62.280 61.300 -0.036 0.000 1.385 151 I CB -0.170 37.772 38.000 -0.097 0.000 1.064 151 I HN 0.187 nan 8.210 nan 0.000 0.414 152 L N 0.437 121.678 121.223 0.030 0.000 2.046 152 L HA -0.165 4.174 4.340 -0.000 0.000 0.208 152 L C 2.339 179.240 176.870 0.053 0.000 1.077 152 L CA 1.791 56.648 54.840 0.028 0.000 0.747 152 L CB -0.620 41.452 42.059 0.023 0.000 0.896 152 L HN 0.161 nan 8.230 nan 0.000 0.432 153 I N -0.988 119.638 120.570 0.093 0.000 2.179 153 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 153 I C 2.430 178.644 176.117 0.161 0.000 1.088 153 I CA 1.463 62.853 61.300 0.151 0.000 1.357 153 I CB -0.904 37.236 38.000 0.233 0.000 1.051 153 I HN 0.351 nan 8.210 nan 0.000 0.409 154 G N 0.253 109.131 108.800 0.130 0.000 2.448 154 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 154 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 154 G C 1.722 176.676 174.900 0.090 0.000 1.127 154 G CA 0.508 45.677 45.100 0.114 0.000 0.766 154 G HN 0.299 nan 8.290 nan 0.000 0.552 155 M N -0.163 119.471 119.600 0.057 0.000 2.156 155 M HA 0.103 4.583 4.480 -0.000 0.000 0.264 155 M C 2.406 178.737 176.300 0.053 0.000 1.067 155 M CA 1.205 56.526 55.300 0.036 0.000 1.131 155 M CB -0.137 32.469 32.600 0.010 0.000 1.368 155 M HN 0.221 nan 8.290 nan 0.000 0.416 156 I N 0.305 120.912 120.570 0.063 0.000 2.142 156 I HA -0.318 3.852 4.170 -0.000 0.000 0.240 156 I C 2.131 178.298 176.117 0.083 0.000 1.078 156 I CA 0.992 62.324 61.300 0.053 0.000 1.343 156 I CB -0.499 37.529 38.000 0.047 0.000 1.046 156 I HN 0.283 nan 8.210 nan 0.000 0.405 157 L N 0.241 121.562 121.223 0.162 0.000 2.042 157 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 157 L C 2.730 179.800 176.870 0.333 0.000 1.076 157 L CA 1.749 56.740 54.840 0.253 0.000 0.749 157 L CB -1.013 41.274 42.059 0.381 0.000 0.893 157 L HN 0.174 nan 8.230 nan 0.000 0.432 158 S N -0.822 115.021 115.700 0.238 0.000 2.399 158 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 158 S C 2.045 176.730 174.600 0.141 0.000 1.022 158 S CA 1.272 59.591 58.200 0.199 0.000 0.983 158 S CB -0.463 62.798 63.200 0.102 0.000 0.803 158 S HN 0.558 nan 8.310 nan 0.000 0.480 159 G N 1.291 110.137 108.800 0.077 0.000 2.394 159 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.214 159 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.214 159 G C 1.399 176.284 174.900 -0.026 0.000 1.176 159 G CA 0.646 45.758 45.100 0.020 0.000 0.786 159 G HN 0.492 nan 8.290 nan 0.000 0.533 160 L N -0.632 120.542 121.223 -0.081 0.000 1.989 160 L HA -0.039 4.301 4.340 -0.000 0.000 0.211 160 L C 2.760 179.449 176.870 -0.302 0.000 1.071 160 L CA 1.130 55.833 54.840 -0.230 0.000 0.749 160 L CB -0.572 41.274 42.059 -0.354 0.000 0.890 160 L HN 0.155 nan 8.230 nan 0.000 0.431 161 F N -0.246 119.621 119.950 -0.138 0.000 2.161 161 F HA -0.242 4.284 4.527 -0.001 0.000 0.300 161 F C 2.763 178.491 175.800 -0.120 0.000 1.089 161 F CA 1.448 59.325 58.000 -0.205 0.000 1.282 161 F CB -0.409 38.554 39.000 -0.061 0.000 1.010 161 F HN -0.003 nan 8.300 nan 0.000 0.485 162 S N -0.262 115.503 115.700 0.108 0.000 2.383 162 S HA -0.138 4.332 4.470 -0.000 0.000 0.227 162 S C 2.307 176.911 174.600 0.006 0.000 1.026 162 S CA 0.890 59.128 58.200 0.063 0.000 0.981 162 S CB -0.525 62.700 63.200 0.042 0.000 0.818 162 S HN 0.376 nan 8.310 nan 0.000 0.472 163 A N 1.601 124.394 122.820 -0.046 0.000 1.902 163 A HA 0.002 4.321 4.320 -0.000 0.000 0.217 163 A C 2.075 179.605 177.584 -0.089 0.000 1.181 163 A CA 1.095 53.087 52.037 -0.075 0.000 0.623 163 A CB -0.721 18.218 19.000 -0.103 0.000 0.818 163 A HN 0.453 nan 8.150 nan 0.000 0.443 164 L N -0.505 120.624 121.223 -0.157 0.000 2.046 164 L HA -0.156 4.183 4.340 -0.000 0.000 0.208 164 L C 2.507 179.389 176.870 0.020 0.000 1.077 164 L CA 1.088 55.822 54.840 -0.176 0.000 0.747 164 L CB -0.707 40.997 42.059 -0.592 0.000 0.896 164 L HN 0.239 nan 8.230 nan 0.000 0.432 165 V N -0.762 119.215 119.914 0.106 0.000 2.407 165 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 165 V C 2.583 178.716 176.094 0.065 0.000 1.055 165 V CA 1.963 64.359 62.300 0.160 0.000 1.049 165 V CB -0.262 31.666 31.823 0.175 0.000 0.662 165 V HN 0.375 nan 8.190 nan 0.000 0.455 166 S N -0.210 115.510 115.700 0.033 0.000 2.383 166 S HA -0.132 4.338 4.470 -0.000 0.000 0.227 166 S C 1.816 176.436 174.600 0.034 0.000 1.026 166 S CA 1.460 59.674 58.200 0.023 0.000 0.981 166 S CB -0.314 62.882 63.200 -0.007 0.000 0.818 166 S HN 0.435 nan 8.310 nan 0.000 0.472 167 L N 2.177 123.400 121.223 -0.000 0.000 1.976 167 L HA -0.006 4.334 4.340 -0.000 0.000 0.209 167 L C 1.974 178.849 176.870 0.008 0.000 1.071 167 L CA 1.728 56.572 54.840 0.006 0.000 0.746 167 L CB -0.786 41.247 42.059 -0.044 0.000 0.890 167 L HN 0.271 nan 8.230 nan 0.000 0.432 168 L N -0.769 120.393 121.223 -0.102 0.000 2.187 168 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 168 L C 2.624 179.455 176.870 -0.065 0.000 1.100 168 L CA 1.599 56.266 54.840 -0.288 0.000 0.765 168 L CB -0.577 41.201 42.059 -0.468 0.000 0.904 168 L HN 0.540 nan 8.230 nan 0.000 0.437 169 Q N -0.833 118.976 119.800 0.014 0.000 2.187 169 Q HA -0.222 4.118 4.340 -0.000 0.000 0.199 169 Q C 2.131 178.181 176.000 0.084 0.000 0.957 169 Q CA 1.268 57.101 55.803 0.050 0.000 0.857 169 Q CB -0.005 28.759 28.738 0.044 0.000 0.929 169 Q HN 0.547 nan 8.270 nan 0.000 0.453 170 Y N 0.635 120.926 120.300 -0.015 0.000 2.420 170 Y HA 0.046 4.596 4.550 -0.000 0.000 0.292 170 Y C 1.225 177.134 175.900 0.014 0.000 1.119 170 Y CA 0.598 58.694 58.100 -0.006 0.000 1.229 170 Y CB 0.465 38.916 38.460 -0.015 0.000 1.026 170 Y HN 0.201 nan 8.280 nan 0.000 0.554 171 I N 0.343 120.959 120.570 0.077 0.000 3.626 171 I HA 0.404 4.574 4.170 -0.000 0.000 0.345 171 I C -0.381 175.818 176.117 0.138 0.000 1.502 171 I CA -0.284 61.048 61.300 0.054 0.000 1.135 171 I CB -0.395 37.680 38.000 0.126 0.000 1.456 171 I HN 0.073 nan 8.210 nan 0.000 0.460 172 S N -0.480 115.259 115.700 0.066 0.000 2.627 172 S HA 0.410 4.880 4.470 -0.000 0.000 0.283 172 S C -0.755 173.820 174.600 -0.042 0.000 1.127 172 S CA -0.855 57.385 58.200 0.067 0.000 0.863 172 S CB 1.850 65.142 63.200 0.154 0.000 1.121 172 S HN 0.330 nan 8.310 nan 0.000 0.479 173 D N 1.011 121.366 120.400 -0.074 0.000 2.487 173 D HA 0.149 4.788 4.640 -0.000 0.000 0.243 173 D C 1.413 177.677 176.300 -0.060 0.000 1.154 173 D CA 0.515 54.471 54.000 -0.073 0.000 0.876 173 D CB 0.820 41.572 40.800 -0.080 0.000 1.161 173 D HN 0.692 nan 8.370 nan 0.000 0.478 174 T N 0.726 115.245 114.554 -0.059 0.000 3.272 174 T HA 0.095 4.445 4.350 -0.000 0.000 0.250 174 T C 0.657 175.340 174.700 -0.029 0.000 1.082 174 T CA 0.010 62.081 62.100 -0.049 0.000 0.968 174 T CB 0.076 68.910 68.868 -0.057 0.000 1.015 174 T HN 0.360 nan 8.240 nan 0.000 0.563 175 E N 0.023 120.207 120.200 -0.028 0.000 2.474 175 E HA 0.252 4.602 4.350 -0.000 0.000 0.215 175 E C 1.331 177.927 176.600 -0.007 0.000 0.867 175 E CA 0.272 56.665 56.400 -0.013 0.000 1.135 175 E CB 0.606 30.296 29.700 -0.016 0.000 1.147 175 E HN 0.508 nan 8.360 nan 0.000 0.534 176 E N 0.196 120.384 120.200 -0.021 0.000 3.100 176 E HA 0.117 4.466 4.350 -0.000 0.000 0.191 176 E C 1.599 178.184 176.600 -0.025 0.000 1.097 176 E CA 0.429 56.817 56.400 -0.020 0.000 1.339 176 E CB 0.308 29.986 29.700 -0.037 0.000 1.330 176 E HN -0.201 nan 8.360 nan 0.000 0.511 177 K N 0.750 121.118 120.400 -0.054 0.000 2.062 177 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 177 K C 2.135 178.715 176.600 -0.034 0.000 1.051 177 K CA 0.585 56.834 56.287 -0.063 0.000 0.941 177 K CB -0.533 31.898 32.500 -0.115 0.000 0.719 177 K HN 0.140 nan 8.250 nan 0.000 0.440 178 L N 2.693 123.895 121.223 -0.035 0.000 1.956 178 L HA -0.140 4.200 4.340 -0.000 0.000 0.216 178 L C -1.031 175.794 176.870 -0.075 0.000 1.073 178 L CA 2.170 56.983 54.840 -0.044 0.000 0.762 178 L CB -1.413 40.616 42.059 -0.049 0.000 0.889 178 L HN 0.093 nan 8.230 nan 0.000 0.433 179 P HA -0.123 nan 4.420 nan 0.000 0.222 179 P C 1.750 179.070 177.300 0.032 0.000 1.147 179 P CA 1.474 64.531 63.100 -0.072 0.000 0.790 179 P CB 0.021 31.796 31.700 0.126 0.000 0.780 180 S N -0.791 114.943 115.700 0.058 0.000 2.395 180 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 180 S C 1.906 176.568 174.600 0.103 0.000 1.027 180 S CA 0.386 58.648 58.200 0.102 0.000 0.965 180 S CB -0.687 62.538 63.200 0.041 0.000 0.812 180 S HN -0.011 nan 8.310 nan 0.000 0.482 181 I N 0.803 121.394 120.570 0.036 0.000 2.162 181 I HA -0.113 4.057 4.170 -0.000 0.000 0.238 181 I C 2.252 178.415 176.117 0.077 0.000 1.076 181 I CA 0.870 62.215 61.300 0.073 0.000 1.353 181 I CB -0.625 37.390 38.000 0.026 0.000 1.063 181 I HN 0.130 nan 8.210 nan 0.000 0.408 182 V N 0.987 120.835 119.914 -0.109 0.000 2.278 182 V HA -0.318 3.801 4.120 -0.000 0.000 0.251 182 V C 2.162 178.091 176.094 -0.275 0.000 1.062 182 V CA 2.162 64.288 62.300 -0.289 0.000 1.038 182 V CB -0.743 30.710 31.823 -0.617 0.000 0.646 182 V HN 0.275 nan 8.190 nan 0.000 0.447 183 F N -2.046 117.951 119.950 0.078 0.000 2.780 183 F HA 0.066 4.593 4.527 -0.000 0.000 0.299 183 F C 1.838 177.685 175.800 0.077 0.000 1.146 183 F CA -0.113 57.919 58.000 0.052 0.000 1.428 183 F CB -0.639 38.386 39.000 0.043 0.000 1.115 183 F HN 0.299 nan 8.300 nan 0.000 0.583 184 W N 0.534 121.897 121.300 0.105 0.000 2.494 184 W HA 0.033 4.692 4.660 -0.001 0.000 0.286 184 W C 1.646 178.189 176.519 0.041 0.000 1.218 184 W CA 1.088 58.474 57.345 0.068 0.000 1.313 184 W CB -0.370 29.113 29.460 0.037 0.000 1.105 184 W HN -0.070 nan 8.180 nan 0.000 0.561 185 L N 1.236 122.432 121.223 -0.044 0.000 2.042 185 L HA -0.160 4.179 4.340 -0.000 0.000 0.210 185 L C 1.680 178.385 176.870 -0.275 0.000 1.076 185 L CA 1.276 55.973 54.840 -0.238 0.000 0.749 185 L CB -0.913 41.128 42.059 -0.031 0.000 0.893 185 L HN 0.061 nan 8.230 nan 0.000 0.432 186 M N 0.395 119.914 119.600 -0.135 0.000 2.201 186 M HA 0.393 4.873 4.480 -0.000 0.000 0.345 186 M C 0.520 176.721 176.300 -0.164 0.000 1.352 186 M CA -0.368 54.866 55.300 -0.110 0.000 1.218 186 M CB 0.076 32.679 32.600 0.005 0.000 1.512 186 M HN -0.037 nan 8.290 nan 0.000 0.447 187 G N 2.430 111.082 108.800 -0.248 0.000 2.241 187 G HA2 0.162 4.122 3.960 -0.000 0.000 0.235 187 G HA3 0.162 4.122 3.960 -0.000 0.000 0.235 187 G C -0.414 174.311 174.900 -0.293 0.000 1.127 187 G CA 0.037 44.962 45.100 -0.292 0.000 0.867 187 G HN 0.910 nan 8.290 nan 0.000 0.473 188 S N 0.772 116.282 115.700 -0.316 0.000 2.552 188 S HA 0.508 4.978 4.470 -0.000 0.000 0.272 188 S C -0.047 174.439 174.600 -0.190 0.000 1.150 188 S CA -0.797 57.222 58.200 -0.301 0.000 0.849 188 S CB 0.698 63.820 63.200 -0.130 0.000 1.113 188 S HN 0.483 nan 8.310 nan 0.000 0.458 189 F N 1.896 121.808 119.950 -0.063 0.000 2.678 189 F HA 0.284 4.811 4.527 -0.001 0.000 0.305 189 F C 2.240 178.006 175.800 -0.056 0.000 1.090 189 F CA -0.032 57.925 58.000 -0.071 0.000 1.272 189 F CB 0.270 39.218 39.000 -0.086 0.000 1.060 189 F HN 0.747 nan 8.300 nan 0.000 0.576 190 A N 0.456 123.337 122.820 0.101 0.000 1.884 190 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 190 A C 1.865 179.480 177.584 0.051 0.000 1.197 190 A CA 2.336 54.404 52.037 0.050 0.000 0.637 190 A CB -1.328 17.678 19.000 0.009 0.000 0.827 190 A HN 0.296 nan 8.150 nan 0.000 0.450 191 T N -1.605 112.989 114.554 0.066 0.000 3.389 191 T HA 0.492 4.841 4.350 -0.000 0.000 0.238 191 T C -0.121 174.615 174.700 0.060 0.000 1.178 191 T CA 0.000 62.137 62.100 0.061 0.000 1.117 191 T CB -0.234 68.679 68.868 0.075 0.000 1.177 191 T HN 0.095 nan 8.240 nan 0.000 0.653 192 S N 3.594 119.310 115.700 0.027 0.000 2.499 192 S HA 0.496 4.966 4.470 -0.000 0.000 0.279 192 S C 0.213 174.767 174.600 -0.077 0.000 1.219 192 S CA -0.964 57.218 58.200 -0.030 0.000 1.062 192 S CB 0.479 63.617 63.200 -0.104 0.000 0.978 192 S HN 0.893 nan 8.310 nan 0.000 0.489 193 N N 0.787 119.449 118.700 -0.064 0.000 2.647 193 N HA 0.251 4.991 4.740 -0.000 0.000 0.266 193 N C -0.326 175.154 175.510 -0.050 0.000 1.373 193 N CA -1.066 51.950 53.050 -0.055 0.000 0.807 193 N CB 0.609 39.140 38.487 0.073 0.000 1.513 193 N HN 0.500 nan 8.380 nan 0.000 0.505 194 W N 0.620 121.947 121.300 0.045 0.000 2.350 194 W HA -0.072 4.587 4.660 -0.000 0.000 0.289 194 W C 2.298 178.879 176.519 0.104 0.000 1.215 194 W CA 0.914 58.291 57.345 0.053 0.000 1.236 194 W CB -0.126 29.357 29.460 0.037 0.000 1.130 194 W HN 0.739 nan 8.180 nan 0.000 0.541 195 E N 1.125 121.520 120.200 0.324 0.000 2.023 195 E HA -0.265 4.084 4.350 -0.000 0.000 0.196 195 E C 1.937 178.721 176.600 0.307 0.000 1.003 195 E CA 1.751 58.329 56.400 0.297 0.000 0.809 195 E CB -0.125 29.717 29.700 0.238 0.000 0.755 195 E HN 0.253 nan 8.360 nan 0.000 0.449 196 K N 0.250 120.799 120.400 0.248 0.000 2.002 196 K HA -0.187 4.132 4.320 -0.000 0.000 0.209 196 K C 2.335 179.088 176.600 0.254 0.000 1.048 196 K CA 1.261 57.696 56.287 0.248 0.000 0.930 196 K CB -0.407 32.204 32.500 0.185 0.000 0.714 196 K HN 0.126 nan 8.250 nan 0.000 0.438 197 L N 1.835 123.149 121.223 0.153 0.000 1.997 197 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 197 L C 1.934 178.970 176.870 0.277 0.000 1.074 197 L CA 1.737 56.656 54.840 0.133 0.000 0.763 197 L CB -0.539 41.483 42.059 -0.061 0.000 0.890 197 L HN 0.171 nan 8.230 nan 0.000 0.434 198 L N -1.728 119.677 121.223 0.303 0.000 2.201 198 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 198 L C 2.438 179.510 176.870 0.338 0.000 1.105 198 L CA 1.144 56.182 54.840 0.330 0.000 0.775 198 L CB -0.660 41.585 42.059 0.310 0.000 0.913 198 L HN 0.354 nan 8.230 nan 0.000 0.440 199 F N 0.308 120.382 119.950 0.207 0.000 2.146 199 F HA -0.244 4.283 4.527 -0.001 0.000 0.298 199 F C 2.240 178.123 175.800 0.137 0.000 1.096 199 F CA 1.294 59.377 58.000 0.139 0.000 1.275 199 F CB -0.286 38.724 39.000 0.016 0.000 1.008 199 F HN -0.040 nan 8.300 nan 0.000 0.480 200 F N -0.731 119.217 119.950 -0.003 0.000 2.163 200 F HA -0.119 4.408 4.527 -0.001 0.000 0.297 200 F C 2.148 177.984 175.800 0.059 0.000 1.094 200 F CA 1.246 59.212 58.000 -0.057 0.000 1.290 200 F CB -0.740 38.282 39.000 0.037 0.000 1.017 200 F HN 0.023 nan 8.300 nan 0.000 0.483 201 F N 0.651 120.584 119.950 -0.028 0.000 2.154 201 F HA -0.228 4.299 4.527 0.000 0.000 0.301 201 F C 2.078 177.851 175.800 -0.044 0.000 1.087 201 F CA 1.667 59.662 58.000 -0.010 0.000 1.274 201 F CB -0.817 38.246 39.000 0.104 0.000 1.009 201 F HN -0.134 nan 8.300 nan 0.000 0.485 202 V N 1.009 120.878 119.914 -0.075 0.000 2.237 202 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 202 V C -0.242 175.685 176.094 -0.278 0.000 1.046 202 V CA 2.495 64.693 62.300 -0.169 0.000 1.007 202 V CB -1.871 29.896 31.823 -0.095 0.000 0.638 202 V HN 0.201 nan 8.190 nan 0.000 0.445 203 P HA -0.157 nan 4.420 nan 0.000 0.217 203 P C 1.723 178.820 177.300 -0.339 0.000 1.150 203 P CA 1.352 64.282 63.100 -0.283 0.000 0.832 203 P CB -0.132 31.405 31.700 -0.271 0.000 0.787 204 F N 0.351 119.895 119.950 -0.678 0.000 2.069 204 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 204 F C 2.076 177.592 175.800 -0.474 0.000 1.113 204 F CA 1.396 58.989 58.000 -0.678 0.000 1.214 204 F CB -0.843 37.589 39.000 -0.947 0.000 0.978 204 F HN -0.240 nan 8.300 nan 0.000 0.474 205 L N 0.054 120.849 121.223 -0.713 0.000 2.046 205 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 205 L C 2.406 178.994 176.870 -0.471 0.000 1.077 205 L CA 1.126 55.538 54.840 -0.713 0.000 0.747 205 L CB -0.597 41.026 42.059 -0.728 0.000 0.896 205 L HN 0.373 nan 8.230 nan 0.000 0.432 206 L N -0.368 120.641 121.223 -0.357 0.000 2.017 206 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 206 L C 2.555 179.292 176.870 -0.221 0.000 1.073 206 L CA 2.204 56.903 54.840 -0.234 0.000 0.745 206 L CB -1.066 40.890 42.059 -0.173 0.000 0.894 206 L HN 0.491 nan 8.230 nan 0.000 0.432 207 C N -0.424 118.728 119.300 -0.246 0.000 2.446 207 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 207 C C 3.017 177.872 174.990 -0.225 0.000 1.275 207 C CA 1.086 59.988 59.018 -0.193 0.000 1.727 207 C CB -0.747 26.898 27.740 -0.157 0.000 2.010 207 C HN 0.601 nan 8.230 nan 0.000 0.486 208 S N 0.925 116.400 115.700 -0.375 0.000 2.368 208 S HA -0.151 4.318 4.470 -0.000 0.000 0.225 208 S C 2.070 176.531 174.600 -0.232 0.000 1.030 208 S CA 1.674 59.657 58.200 -0.362 0.000 0.999 208 S CB -0.325 62.484 63.200 -0.652 0.000 0.844 208 S HN 0.676 nan 8.310 nan 0.000 0.459 209 S N 1.604 117.165 115.700 -0.233 0.000 2.356 209 S HA -0.005 4.465 4.470 -0.000 0.000 0.223 209 S C 1.809 176.352 174.600 -0.096 0.000 1.032 209 S CA 1.091 59.203 58.200 -0.146 0.000 1.005 209 S CB -0.411 62.704 63.200 -0.141 0.000 0.867 209 S HN 0.422 nan 8.310 nan 0.000 0.449 210 I N 1.296 121.807 120.570 -0.097 0.000 2.179 210 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 210 I C 2.087 178.176 176.117 -0.048 0.000 1.088 210 I CA 1.097 62.359 61.300 -0.062 0.000 1.357 210 I CB -0.425 37.540 38.000 -0.058 0.000 1.051 210 I HN 0.225 nan 8.210 nan 0.000 0.409 211 L N 0.203 121.389 121.223 -0.061 0.000 2.046 211 L HA -0.219 4.120 4.340 -0.000 0.000 0.208 211 L C 2.537 179.393 176.870 -0.023 0.000 1.077 211 L CA 1.306 56.120 54.840 -0.043 0.000 0.747 211 L CB -0.479 41.550 42.059 -0.050 0.000 0.896 211 L HN 0.273 nan 8.230 nan 0.000 0.432 212 L N -0.408 120.797 121.223 -0.031 0.000 2.131 212 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 212 L C 2.747 179.628 176.870 0.017 0.000 1.092 212 L CA 1.443 56.283 54.840 -0.001 0.000 0.759 212 L CB -0.455 41.595 42.059 -0.014 0.000 0.903 212 L HN 0.401 nan 8.230 nan 0.000 0.435 213 S N -0.824 114.878 115.700 0.003 0.000 2.522 213 S HA -0.012 4.457 4.470 -0.000 0.000 0.227 213 S C 1.557 176.180 174.600 0.039 0.000 0.986 213 S CA 0.369 58.580 58.200 0.018 0.000 0.929 213 S CB -0.164 63.037 63.200 0.001 0.000 0.769 213 S HN 0.415 nan 8.310 nan 0.000 0.529 214 L N 1.028 122.268 121.223 0.028 0.000 2.667 214 L HA 0.294 4.634 4.340 -0.000 0.000 0.232 214 L C 2.225 179.117 176.870 0.037 0.000 1.138 214 L CA -0.122 54.737 54.840 0.030 0.000 0.921 214 L CB -0.224 41.830 42.059 -0.009 0.000 1.180 214 L HN 0.267 nan 8.230 nan 0.000 0.487 215 S N 0.346 116.086 115.700 0.067 0.000 2.401 215 S HA -0.301 4.169 4.470 -0.000 0.000 0.236 215 S C 1.549 176.225 174.600 0.127 0.000 1.058 215 S CA 2.468 60.725 58.200 0.095 0.000 1.151 215 S CB -0.293 62.977 63.200 0.117 0.000 1.049 215 S HN 0.702 nan 8.310 nan 0.000 0.432 216 W N 1.698 122.998 121.300 -0.000 0.000 2.418 216 W HA 0.044 4.705 4.660 0.002 0.000 0.292 216 W C 2.426 178.934 176.519 -0.017 0.000 1.213 216 W CA 1.137 58.484 57.345 0.002 0.000 1.283 216 W CB -0.370 29.085 29.460 -0.008 0.000 1.119 216 W HN 0.169 nan 8.180 nan 0.000 0.542 217 R N 0.265 120.778 120.500 0.022 0.000 2.193 217 R HA -0.120 4.220 4.340 -0.000 0.000 0.229 217 R C 2.200 178.312 176.300 -0.313 0.000 1.110 217 R CA 1.494 57.490 56.100 -0.174 0.000 0.988 217 R CB -0.596 29.707 30.300 0.005 0.000 0.871 217 R HN 0.282 nan 8.270 nan 0.000 0.458 218 L N 0.402 121.447 121.223 -0.296 0.000 2.131 218 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 218 L C 1.611 178.156 176.870 -0.542 0.000 1.092 218 L CA 0.970 55.544 54.840 -0.444 0.000 0.759 218 L CB -0.530 41.182 42.059 -0.578 0.000 0.903 218 L HN 0.290 nan 8.230 nan 0.000 0.435 219 N N 0.426 118.854 118.700 -0.453 0.000 2.205 219 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 219 N C 1.857 177.166 175.510 -0.336 0.000 1.015 219 N CA 1.249 54.115 53.050 -0.307 0.000 0.862 219 N CB -0.293 37.937 38.487 -0.429 0.000 0.986 219 N HN 0.369 nan 8.380 nan 0.000 0.429 220 L N 0.483 121.451 121.223 -0.425 0.000 2.362 220 L HA -0.018 4.322 4.340 -0.000 0.000 0.219 220 L C 1.927 178.663 176.870 -0.222 0.000 1.134 220 L CA 0.337 54.990 54.840 -0.311 0.000 0.807 220 L CB -0.310 41.562 42.059 -0.312 0.000 0.927 220 L HN 0.109 nan 8.230 nan 0.000 0.447 221 L N -0.720 120.357 121.223 -0.243 0.000 2.549 221 L HA -0.098 4.242 4.340 -0.000 0.000 0.229 221 L C 1.984 178.749 176.870 -0.175 0.000 1.158 221 L CA 0.474 55.185 54.840 -0.215 0.000 0.842 221 L CB -0.218 41.688 42.059 -0.256 0.000 0.952 221 L HN 0.216 nan 8.230 nan 0.000 0.452 222 S N -0.550 115.061 115.700 -0.149 0.000 2.593 222 S HA 0.139 4.609 4.470 -0.000 0.000 0.217 222 S C 0.610 175.159 174.600 -0.085 0.000 0.966 222 S CA -0.163 57.980 58.200 -0.096 0.000 0.914 222 S CB 0.107 63.272 63.200 -0.059 0.000 0.776 222 S HN 0.033 nan 8.310 nan 0.000 0.523 223 L N 2.031 123.195 121.223 -0.099 0.000 2.456 223 L HA 0.447 4.787 4.340 -0.000 0.000 0.257 223 L C 0.398 177.228 176.870 -0.067 0.000 1.162 223 L CA -0.128 54.666 54.840 -0.077 0.000 0.808 223 L CB 0.200 42.211 42.059 -0.080 0.000 1.136 223 L HN -0.026 nan 8.230 nan 0.000 0.466 224 D N -0.607 119.764 120.400 -0.049 0.000 2.277 224 D HA 0.139 4.778 4.640 -0.000 0.000 0.250 224 D C 0.874 177.151 176.300 -0.038 0.000 1.032 224 D CA -0.353 53.622 54.000 -0.042 0.000 0.947 224 D CB 1.183 41.964 40.800 -0.030 0.000 1.159 224 D HN 0.580 nan 8.370 nan 0.000 0.460 225 E N 1.128 121.307 120.200 -0.035 0.000 2.095 225 E HA -0.335 4.014 4.350 -0.000 0.000 0.212 225 E C 1.219 177.807 176.600 -0.020 0.000 1.044 225 E CA 1.854 58.238 56.400 -0.027 0.000 0.857 225 E CB 0.192 29.879 29.700 -0.021 0.000 0.764 225 E HN 0.349 nan 8.360 nan 0.000 0.462 226 K N -0.125 120.265 120.400 -0.016 0.000 2.032 226 K HA -0.226 4.093 4.320 -0.000 0.000 0.209 226 K C 2.298 178.892 176.600 -0.011 0.000 1.048 226 K CA 1.591 57.871 56.287 -0.011 0.000 0.927 226 K CB -0.210 32.285 32.500 -0.009 0.000 0.712 226 K HN 0.090 nan 8.250 nan 0.000 0.441 227 E N 1.079 121.270 120.200 -0.016 0.000 2.072 227 E HA -0.102 4.247 4.350 -0.000 0.000 0.191 227 E C 1.843 178.433 176.600 -0.017 0.000 0.985 227 E CA 1.341 57.733 56.400 -0.014 0.000 0.801 227 E CB -0.187 29.501 29.700 -0.019 0.000 0.750 227 E HN 0.277 nan 8.360 nan 0.000 0.452 228 A N 1.268 124.072 122.820 -0.026 0.000 1.883 228 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 228 A C 2.182 179.757 177.584 -0.014 0.000 1.186 228 A CA 1.934 53.953 52.037 -0.029 0.000 0.624 228 A CB -0.626 18.350 19.000 -0.041 0.000 0.822 228 A HN 0.105 nan 8.150 nan 0.000 0.444 229 K N -0.027 120.367 120.400 -0.010 0.000 2.026 229 K HA -0.068 4.252 4.320 -0.000 0.000 0.208 229 K C 2.214 178.816 176.600 0.002 0.000 1.048 229 K CA 1.554 57.840 56.287 -0.002 0.000 0.929 229 K CB -0.660 31.838 32.500 -0.002 0.000 0.713 229 K HN 0.378 nan 8.250 nan 0.000 0.439 230 A N 1.204 124.024 122.820 0.001 0.000 1.902 230 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 230 A C 2.153 179.743 177.584 0.011 0.000 1.181 230 A CA 1.200 53.241 52.037 0.006 0.000 0.623 230 A CB -0.538 18.465 19.000 0.005 0.000 0.818 230 A HN 0.326 nan 8.150 nan 0.000 0.443 231 L N -0.409 120.820 121.223 0.010 0.000 2.650 231 L HA 0.127 4.466 4.340 -0.000 0.000 0.235 231 L C 1.549 178.433 176.870 0.024 0.000 1.149 231 L CA 0.359 55.211 54.840 0.021 0.000 0.887 231 L CB -0.756 41.313 42.059 0.017 0.000 1.021 231 L HN 0.598 nan 8.230 nan 0.000 0.441 232 G N 0.722 109.532 108.800 0.016 0.000 2.283 232 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 232 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 232 G C 0.173 175.082 174.900 0.016 0.000 1.029 232 G CA 0.194 45.304 45.100 0.018 0.000 0.840 232 G HN 0.181 nan 8.290 nan 0.000 0.505 233 V N 0.893 120.810 119.914 0.005 0.000 2.461 233 V HA 0.314 4.433 4.120 -0.000 0.000 0.275 233 V C 0.545 176.636 176.094 -0.005 0.000 1.047 233 V CA -0.640 61.657 62.300 -0.005 0.000 0.955 233 V CB 1.580 33.384 31.823 -0.033 0.000 0.988 233 V HN 0.215 nan 8.190 nan 0.000 0.471 234 K N 5.291 125.693 120.400 0.004 0.000 2.142 234 K HA 0.203 4.522 4.320 -0.000 0.000 0.250 234 K C 0.715 177.318 176.600 0.005 0.000 1.148 234 K CA -0.328 55.968 56.287 0.015 0.000 1.040 234 K CB 0.452 32.970 32.500 0.031 0.000 1.569 234 K HN 0.646 nan 8.250 nan 0.000 0.361 235 M N 2.273 121.864 119.600 -0.015 0.000 2.082 235 M HA -0.266 4.214 4.480 -0.000 0.000 0.258 235 M C 1.806 178.084 176.300 -0.035 0.000 1.071 235 M CA 2.169 57.440 55.300 -0.048 0.000 1.103 235 M CB -0.501 32.061 32.600 -0.064 0.000 1.307 235 M HN 0.565 nan 8.290 nan 0.000 0.409 236 A N 0.003 122.840 122.820 0.028 0.000 1.849 236 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 236 A C -0.035 177.692 177.584 0.239 0.000 1.202 236 A CA 2.252 54.366 52.037 0.129 0.000 0.629 236 A CB -2.401 16.730 19.000 0.219 0.000 0.834 236 A HN 0.480 nan 8.150 nan 0.000 0.447 237 P HA -0.162 nan 4.420 nan 0.000 0.215 237 P C 1.752 179.147 177.300 0.158 0.000 1.157 237 P CA 1.224 64.453 63.100 0.215 0.000 0.874 237 P CB -0.125 31.650 31.700 0.124 0.000 0.790 238 L N -0.276 120.984 121.223 0.062 0.000 2.012 238 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 238 L C 2.494 179.343 176.870 -0.036 0.000 1.073 238 L CA 1.898 56.740 54.840 0.004 0.000 0.748 238 L CB -0.994 41.039 42.059 -0.043 0.000 0.891 238 L HN -0.239 nan 8.230 nan 0.000 0.431 239 R N -1.438 118.994 120.500 -0.114 0.000 2.083 239 R HA -0.234 4.106 4.340 -0.000 0.000 0.237 239 R C 2.212 178.355 176.300 -0.263 0.000 1.137 239 R CA 2.398 58.330 56.100 -0.281 0.000 0.951 239 R CB -0.650 29.381 30.300 -0.448 0.000 0.851 239 R HN 0.541 nan 8.270 nan 0.000 0.434 240 W N 0.483 121.803 121.300 0.033 0.000 2.388 240 W HA -0.103 4.554 4.660 -0.005 0.000 0.294 240 W C 2.125 178.755 176.519 0.186 0.000 1.212 240 W CA 0.271 57.678 57.345 0.103 0.000 1.271 240 W CB -0.150 29.456 29.460 0.244 0.000 1.126 240 W HN 0.153 nan 8.180 nan 0.000 0.535 241 L N -0.054 121.362 121.223 0.322 0.000 2.017 241 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 241 L C 2.036 178.992 176.870 0.143 0.000 1.073 241 L CA 1.532 56.504 54.840 0.219 0.000 0.745 241 L CB -0.831 41.289 42.059 0.102 0.000 0.894 241 L HN -0.127 nan 8.230 nan 0.000 0.432 242 V N 0.296 120.236 119.914 0.043 0.000 2.343 242 V HA -0.319 3.800 4.120 -0.000 0.000 0.247 242 V C 2.436 178.516 176.094 -0.024 0.000 1.051 242 V CA 1.795 64.084 62.300 -0.019 0.000 1.036 242 V CB -0.302 31.468 31.823 -0.088 0.000 0.654 242 V HN 0.367 nan 8.190 nan 0.000 0.451 243 I N -0.934 119.601 120.570 -0.058 0.000 2.226 243 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 243 I C 2.318 178.357 176.117 -0.129 0.000 1.100 243 I CA 1.936 63.164 61.300 -0.119 0.000 1.374 243 I CB -0.368 37.502 38.000 -0.216 0.000 1.057 243 I HN 0.229 nan 8.210 nan 0.000 0.413 244 F N 0.496 120.460 119.950 0.023 0.000 2.186 244 F HA -0.173 4.353 4.527 -0.001 0.000 0.299 244 F C 2.308 178.027 175.800 -0.135 0.000 1.090 244 F CA 1.122 59.072 58.000 -0.083 0.000 1.307 244 F CB -0.308 38.632 39.000 -0.099 0.000 1.019 244 F HN -0.051 nan 8.300 nan 0.000 0.489 245 L N -0.519 120.757 121.223 0.090 0.000 2.056 245 L HA -0.191 4.148 4.340 -0.000 0.000 0.207 245 L C 2.583 179.450 176.870 -0.005 0.000 1.078 245 L CA 1.517 56.367 54.840 0.015 0.000 0.749 245 L CB -0.834 41.226 42.059 0.002 0.000 0.901 245 L HN 0.180 nan 8.230 nan 0.000 0.433 246 S N -0.488 115.209 115.700 -0.005 0.000 2.406 246 S HA -0.054 4.416 4.470 -0.000 0.000 0.228 246 S C 2.044 176.650 174.600 0.010 0.000 1.020 246 S CA 0.720 58.923 58.200 0.005 0.000 0.965 246 S CB -0.791 62.408 63.200 -0.000 0.000 0.798 246 S HN 0.411 nan 8.310 nan 0.000 0.488 247 G N 1.506 110.290 108.800 -0.026 0.000 2.402 247 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.216 247 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.216 247 G C 1.561 176.442 174.900 -0.032 0.000 1.162 247 G CA 0.853 45.932 45.100 -0.035 0.000 0.777 247 G HN 0.561 nan 8.290 nan 0.000 0.539 248 S N 0.341 115.981 115.700 -0.100 0.000 2.382 248 S HA -0.092 4.377 4.470 -0.000 0.000 0.228 248 S C 2.169 176.832 174.600 0.105 0.000 1.027 248 S CA 0.854 59.012 58.200 -0.070 0.000 0.991 248 S CB -0.255 62.887 63.200 -0.097 0.000 0.823 248 S HN 0.187 nan 8.310 nan 0.000 0.469 249 L N 1.631 122.906 121.223 0.087 0.000 2.046 249 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 249 L C 2.204 179.234 176.870 0.268 0.000 1.077 249 L CA 1.515 56.452 54.840 0.161 0.000 0.747 249 L CB -0.765 41.373 42.059 0.133 0.000 0.896 249 L HN 0.150 nan 8.230 nan 0.000 0.432 250 V N -0.737 119.297 119.914 0.200 0.000 2.379 250 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 250 V C 2.695 178.928 176.094 0.231 0.000 1.044 250 V CA 1.299 63.725 62.300 0.210 0.000 1.036 250 V CB -1.207 30.713 31.823 0.162 0.000 0.664 250 V HN 0.517 nan 8.190 nan 0.000 0.453 251 A N -0.622 122.339 122.820 0.235 0.000 1.883 251 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 251 A C 2.344 180.131 177.584 0.339 0.000 1.186 251 A CA 2.407 54.619 52.037 0.291 0.000 0.624 251 A CB -1.208 18.009 19.000 0.360 0.000 0.822 251 A HN 0.594 nan 8.150 nan 0.000 0.444 252 C N -0.723 118.795 119.300 0.362 0.000 2.435 252 C HA -0.085 4.374 4.460 -0.000 0.000 0.279 252 C C 2.810 178.070 174.990 0.451 0.000 1.321 252 C CA 1.153 60.416 59.018 0.409 0.000 1.752 252 C CB -1.006 26.928 27.740 0.323 0.000 1.959 252 C HN 0.738 nan 8.230 nan 0.000 0.500 253 Q N 1.121 121.164 119.800 0.405 0.000 2.046 253 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 253 Q C 2.266 178.315 176.000 0.082 0.000 0.975 253 Q CA 1.934 57.808 55.803 0.118 0.000 0.836 253 Q CB -0.287 28.534 28.738 0.137 0.000 0.896 253 Q HN 0.503 nan 8.270 nan 0.000 0.428 254 V N 1.833 121.833 119.914 0.143 0.000 2.287 254 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 254 V C 2.663 178.907 176.094 0.249 0.000 1.053 254 V CA 1.870 64.228 62.300 0.095 0.000 1.027 254 V CB -1.380 30.515 31.823 0.119 0.000 0.646 254 V HN 0.488 nan 8.190 nan 0.000 0.447 255 A N 0.539 123.580 122.820 0.368 0.000 1.958 255 A HA -0.232 4.088 4.320 -0.000 0.000 0.221 255 A C 2.054 179.906 177.584 0.446 0.000 1.178 255 A CA 2.467 54.788 52.037 0.475 0.000 0.642 255 A CB -0.652 18.573 19.000 0.375 0.000 0.816 255 A HN 0.815 nan 8.150 nan 0.000 0.453 256 I N -4.369 116.348 120.570 0.245 0.000 4.082 256 I HA 0.288 4.458 4.170 -0.000 0.000 0.337 256 I C 0.796 177.018 176.117 0.174 0.000 1.352 256 I CA 0.829 62.260 61.300 0.217 0.000 1.097 256 I CB 0.754 38.798 38.000 0.075 0.000 1.048 256 I HN 0.199 nan 8.210 nan 0.000 0.393 257 S N -0.788 114.978 115.700 0.111 0.000 2.822 257 S HA 0.550 5.020 4.470 -0.000 0.000 0.251 257 S C 0.719 175.214 174.600 -0.175 0.000 0.946 257 S CA 0.047 58.267 58.200 0.032 0.000 1.377 257 S CB -0.129 63.148 63.200 0.128 0.000 1.230 257 S HN 1.038 nan 8.310 nan 0.000 0.671 258 G N 1.926 110.526 108.800 -0.334 0.000 2.698 258 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.233 258 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.233 258 G C -0.281 174.352 174.900 -0.446 0.000 1.352 258 G CA -0.308 44.359 45.100 -0.722 0.000 0.879 258 G HN 1.305 nan 8.290 nan 0.000 0.567 259 S N -0.218 115.210 115.700 -0.454 0.000 2.422 259 S HA 0.604 5.074 4.470 -0.000 0.000 0.283 259 S C 0.318 174.789 174.600 -0.216 0.000 1.163 259 S CA -0.497 57.525 58.200 -0.296 0.000 1.054 259 S CB -0.495 62.533 63.200 -0.287 0.000 0.967 259 S HN 0.665 nan 8.310 nan 0.000 0.499 260 I N 4.718 125.200 120.570 -0.147 0.000 2.418 260 I HA 0.527 4.697 4.170 -0.000 0.000 0.287 260 I C 0.796 176.930 176.117 0.029 0.000 1.008 260 I CA -0.714 60.541 61.300 -0.075 0.000 1.104 260 I CB 1.909 39.861 38.000 -0.079 0.000 1.264 260 I HN 0.716 nan 8.210 nan 0.000 0.438 261 G N 2.753 111.603 108.800 0.084 0.000 3.075 261 G HA2 0.488 4.448 3.960 -0.000 0.000 0.253 261 G HA3 0.488 4.448 3.960 -0.000 0.000 0.253 261 G C -1.085 173.969 174.900 0.255 0.000 1.353 261 G CA -0.603 44.593 45.100 0.159 0.000 1.051 261 G HN 0.805 nan 8.290 nan 0.000 0.553 262 W N -1.793 119.546 121.300 0.066 0.000 4.551 262 W HA -0.213 4.448 4.660 0.001 0.000 0.343 262 W C 0.941 177.491 176.519 0.051 0.000 1.269 262 W CA 0.574 57.930 57.345 0.017 0.000 0.799 262 W CB -1.675 27.797 29.460 0.020 0.000 2.352 262 W HN 0.310 nan 8.180 nan 0.000 1.462 263 V N -1.338 118.675 119.914 0.165 0.000 2.870 263 V HA 0.160 4.280 4.120 -0.000 0.000 0.232 263 V C 2.239 178.353 176.094 0.033 0.000 1.161 263 V CA 1.485 63.870 62.300 0.143 0.000 1.204 263 V CB -0.908 31.035 31.823 0.199 0.000 1.003 263 V HN 0.167 nan 8.190 nan 0.000 0.499 264 G N -0.290 108.504 108.800 -0.010 0.000 2.586 264 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.215 264 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.215 264 G C 1.398 176.252 174.900 -0.077 0.000 1.128 264 G CA 0.634 45.704 45.100 -0.051 0.000 0.774 264 G HN 0.368 nan 8.290 nan 0.000 0.543 265 L N 0.368 121.530 121.223 -0.101 0.000 2.253 265 L HA 0.262 4.602 4.340 -0.000 0.000 0.205 265 L C 2.576 179.466 176.870 0.034 0.000 1.078 265 L CA 0.818 55.592 54.840 -0.109 0.000 0.805 265 L CB 0.012 41.891 42.059 -0.300 0.000 0.963 265 L HN 0.435 nan 8.230 nan 0.000 0.459 266 I N -3.833 116.776 120.570 0.065 0.000 3.081 266 I HA -0.049 4.121 4.170 -0.000 0.000 0.274 266 I C 2.200 178.353 176.117 0.061 0.000 1.178 266 I CA 0.456 61.838 61.300 0.136 0.000 1.460 266 I CB -0.154 37.930 38.000 0.140 0.000 1.137 266 I HN -0.022 nan 8.210 nan 0.000 0.443 267 I N 2.201 122.753 120.570 -0.030 0.000 2.226 267 I HA -0.114 4.055 4.170 -0.000 0.000 0.245 267 I C -0.284 175.847 176.117 0.024 0.000 1.100 267 I CA 1.615 62.888 61.300 -0.044 0.000 1.374 267 I CB -1.662 36.312 38.000 -0.043 0.000 1.057 267 I HN 0.194 nan 8.210 nan 0.000 0.413 268 P HA -0.194 nan 4.420 nan 0.000 0.216 268 P C 1.456 178.796 177.300 0.068 0.000 1.150 268 P CA 1.527 64.662 63.100 0.057 0.000 0.837 268 P CB -0.068 31.669 31.700 0.063 0.000 0.786 269 H N -0.343 118.740 119.070 0.021 0.000 2.321 269 H HA -0.064 4.491 4.556 -0.001 0.000 0.300 269 H C 1.786 177.122 175.328 0.013 0.000 1.087 269 H CA 1.496 57.558 56.048 0.022 0.000 1.319 269 H CB -1.020 28.770 29.762 0.046 0.000 1.379 269 H HN -0.041 nan 8.280 nan 0.000 0.501 270 L N -0.627 120.564 121.223 -0.054 0.000 2.046 270 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 270 L C 2.602 179.417 176.870 -0.090 0.000 1.077 270 L CA 1.471 56.252 54.840 -0.099 0.000 0.747 270 L CB -0.505 41.542 42.059 -0.021 0.000 0.896 270 L HN 0.270 nan 8.230 nan 0.000 0.432 271 S N -0.540 115.136 115.700 -0.040 0.000 2.382 271 S HA -0.211 4.258 4.470 -0.000 0.000 0.228 271 S C 2.030 176.608 174.600 -0.036 0.000 1.027 271 S CA 1.234 59.428 58.200 -0.011 0.000 0.991 271 S CB -0.244 62.969 63.200 0.021 0.000 0.823 271 S HN 0.268 nan 8.310 nan 0.000 0.469 272 R N 1.352 121.805 120.500 -0.079 0.000 2.091 272 R HA 0.076 4.416 4.340 -0.000 0.000 0.238 272 R C 2.154 178.382 176.300 -0.119 0.000 1.136 272 R CA 1.488 57.529 56.100 -0.098 0.000 0.959 272 R CB -0.393 29.844 30.300 -0.104 0.000 0.856 272 R HN 0.399 nan 8.270 nan 0.000 0.437 273 M N -0.451 119.035 119.600 -0.190 0.000 2.374 273 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 273 M C 1.733 177.992 176.300 -0.068 0.000 1.067 273 M CA 1.234 56.441 55.300 -0.155 0.000 1.103 273 M CB -0.027 32.451 32.600 -0.204 0.000 1.402 273 M HN 0.170 nan 8.290 nan 0.000 0.444 274 L N -0.825 120.373 121.223 -0.042 0.000 2.130 274 L HA -0.027 4.313 4.340 -0.000 0.000 0.200 274 L C 1.973 178.866 176.870 0.038 0.000 1.075 274 L CA 0.728 55.571 54.840 0.005 0.000 0.768 274 L CB -0.131 41.941 42.059 0.021 0.000 0.933 274 L HN 0.247 nan 8.230 nan 0.000 0.451 275 V N -4.059 115.885 119.914 0.050 0.000 3.432 275 V HA 0.626 4.746 4.120 -0.000 0.000 0.298 275 V C 0.632 176.737 176.094 0.019 0.000 1.464 275 V CA 0.056 62.408 62.300 0.087 0.000 1.046 275 V CB -0.326 31.621 31.823 0.206 0.000 0.887 275 V HN 0.451 nan 8.190 nan 0.000 0.441 276 G N 0.470 109.258 108.800 -0.019 0.000 2.660 276 G HA2 0.202 4.162 3.960 -0.000 0.000 0.247 276 G HA3 0.202 4.162 3.960 -0.000 0.000 0.247 276 G C 0.606 175.454 174.900 -0.087 0.000 1.328 276 G CA -0.223 44.848 45.100 -0.047 0.000 0.884 276 G HN 1.369 nan 8.290 nan 0.000 0.531 277 A N -0.346 122.411 122.820 -0.105 0.000 2.081 277 A HA 0.298 4.618 4.320 -0.000 0.000 0.214 277 A C 1.265 178.689 177.584 -0.267 0.000 1.158 277 A CA 1.351 53.281 52.037 -0.179 0.000 0.724 277 A CB -0.388 18.538 19.000 -0.124 0.000 0.826 277 A HN 1.140 nan 8.150 nan 0.000 0.463 278 N N -0.103 118.506 118.700 -0.153 0.000 2.414 278 N HA -0.051 4.689 4.740 -0.000 0.000 0.268 278 N C 0.437 175.871 175.510 -0.128 0.000 1.286 278 N CA -0.077 52.912 53.050 -0.101 0.000 0.896 278 N CB 0.206 38.671 38.487 -0.036 0.000 1.093 278 N HN 0.465 nan 8.380 nan 0.000 0.480 279 H N 1.906 120.951 119.070 -0.043 0.000 2.456 279 H HA -0.161 4.395 4.556 -0.000 0.000 0.296 279 H C 1.917 177.246 175.328 0.002 0.000 1.079 279 H CA 1.339 57.371 56.048 -0.027 0.000 1.322 279 H CB 0.172 29.901 29.762 -0.056 0.000 1.388 279 H HN 0.681 nan 8.280 nan 0.000 0.538 280 Q N 0.433 120.310 119.800 0.129 0.000 2.135 280 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 280 Q C 1.798 177.801 176.000 0.004 0.000 0.981 280 Q CA 2.008 57.874 55.803 0.104 0.000 0.856 280 Q CB 0.134 28.959 28.738 0.145 0.000 0.902 280 Q HN 0.579 nan 8.270 nan 0.000 0.425 281 S N -1.015 114.624 115.700 -0.102 0.000 2.502 281 S HA 0.094 4.564 4.470 -0.000 0.000 0.215 281 S C 1.753 176.387 174.600 0.055 0.000 1.009 281 S CA -0.353 57.717 58.200 -0.218 0.000 0.908 281 S CB 0.020 62.745 63.200 -0.791 0.000 0.801 281 S HN 0.344 nan 8.310 nan 0.000 0.505 282 L N 1.350 122.583 121.223 0.017 0.000 2.027 282 L HA 0.028 4.367 4.340 -0.000 0.000 0.206 282 L C 2.312 179.233 176.870 0.085 0.000 1.074 282 L CA 1.233 56.091 54.840 0.030 0.000 0.745 282 L CB -0.430 41.580 42.059 -0.081 0.000 0.898 282 L HN 0.349 nan 8.230 nan 0.000 0.433 283 L N 0.345 121.629 121.223 0.102 0.000 1.970 283 L HA -0.169 4.170 4.340 -0.000 0.000 0.212 283 L C -0.083 176.854 176.870 0.112 0.000 1.071 283 L CA 1.768 56.671 54.840 0.106 0.000 0.751 283 L CB -2.572 39.545 42.059 0.097 0.000 0.889 283 L HN 0.269 nan 8.230 nan 0.000 0.432 284 P HA -0.162 nan 4.420 nan 0.000 0.217 284 P C 1.982 179.363 177.300 0.135 0.000 1.150 284 P CA 1.423 64.607 63.100 0.139 0.000 0.832 284 P CB -0.232 31.575 31.700 0.179 0.000 0.787 285 C N -0.313 119.086 119.300 0.164 0.000 2.440 285 C HA -0.072 4.388 4.460 -0.000 0.000 0.278 285 C C 2.795 177.845 174.990 0.100 0.000 1.295 285 C CA 1.775 60.870 59.018 0.128 0.000 1.738 285 C CB -1.902 25.936 27.740 0.163 0.000 1.987 285 C HN 0.211 nan 8.230 nan 0.000 0.492 286 T N 1.046 115.659 114.554 0.099 0.000 2.777 286 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 286 T C 1.804 176.568 174.700 0.107 0.000 1.040 286 T CA 1.970 64.123 62.100 0.088 0.000 1.141 286 T CB -0.269 68.648 68.868 0.081 0.000 0.868 286 T HN 0.568 nan 8.240 nan 0.000 0.444 287 M N 0.429 120.101 119.600 0.120 0.000 2.117 287 M HA -0.015 4.465 4.480 -0.000 0.000 0.262 287 M C 2.232 178.621 176.300 0.149 0.000 1.065 287 M CA 1.569 56.961 55.300 0.153 0.000 1.114 287 M CB -0.612 32.081 32.600 0.154 0.000 1.361 287 M HN 0.206 nan 8.290 nan 0.000 0.408 288 L N -0.646 120.648 121.223 0.118 0.000 2.056 288 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 288 L C 2.428 179.361 176.870 0.104 0.000 1.078 288 L CA 0.770 55.670 54.840 0.101 0.000 0.749 288 L CB -0.580 41.520 42.059 0.069 0.000 0.901 288 L HN 0.111 nan 8.230 nan 0.000 0.433 289 V N 0.005 119.979 119.914 0.100 0.000 2.358 289 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 289 V C 2.586 178.768 176.094 0.146 0.000 1.047 289 V CA 1.935 64.299 62.300 0.105 0.000 1.035 289 V CB -1.178 30.689 31.823 0.073 0.000 0.658 289 V HN 0.560 nan 8.190 nan 0.000 0.452 290 G N -0.394 108.491 108.800 0.142 0.000 2.402 290 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 290 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 290 G C 1.786 176.813 174.900 0.211 0.000 1.162 290 G CA 1.028 46.237 45.100 0.182 0.000 0.777 290 G HN 0.587 nan 8.290 nan 0.000 0.539 291 A N 0.457 123.377 122.820 0.166 0.000 1.865 291 A HA -0.050 4.269 4.320 -0.000 0.000 0.217 291 A C 2.536 180.187 177.584 0.113 0.000 1.191 291 A CA 2.575 54.688 52.037 0.126 0.000 0.623 291 A CB -1.092 17.975 19.000 0.111 0.000 0.826 291 A HN 0.294 nan 8.150 nan 0.000 0.444 292 T N -1.738 112.889 114.554 0.121 0.000 2.788 292 T HA -0.155 4.194 4.350 -0.000 0.000 0.268 292 T C 1.750 176.531 174.700 0.134 0.000 1.044 292 T CA 1.584 63.747 62.100 0.105 0.000 1.139 292 T CB -0.413 68.515 68.868 0.100 0.000 0.867 292 T HN 0.571 nan 8.240 nan 0.000 0.454 293 Y N 1.010 121.349 120.300 0.065 0.000 2.163 293 Y HA -0.116 4.434 4.550 0.000 0.000 0.288 293 Y C 2.421 178.369 175.900 0.080 0.000 1.136 293 Y CA 1.195 59.339 58.100 0.072 0.000 1.147 293 Y CB -0.182 38.329 38.460 0.085 0.000 0.987 293 Y HN 0.001 nan 8.280 nan 0.000 0.509 294 M N -0.561 119.118 119.600 0.131 0.000 2.086 294 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 294 M C 2.256 178.577 176.300 0.035 0.000 1.067 294 M CA 1.336 56.688 55.300 0.086 0.000 1.116 294 M CB -1.203 31.517 32.600 0.201 0.000 1.348 294 M HN 0.489 nan 8.290 nan 0.000 0.407 295 L N 0.475 121.710 121.223 0.020 0.000 2.079 295 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 295 L C 2.135 178.986 176.870 -0.031 0.000 1.081 295 L CA 1.534 56.368 54.840 -0.009 0.000 0.752 295 L CB -1.004 41.044 42.059 -0.018 0.000 0.896 295 L HN 0.213 nan 8.230 nan 0.000 0.433 296 L N -1.113 120.073 121.223 -0.061 0.000 2.046 296 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 296 L C 2.489 179.273 176.870 -0.144 0.000 1.077 296 L CA 1.708 56.492 54.840 -0.093 0.000 0.747 296 L CB -0.725 41.275 42.059 -0.099 0.000 0.896 296 L HN 0.185 nan 8.230 nan 0.000 0.432 297 V N -0.176 119.596 119.914 -0.237 0.000 2.453 297 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 297 V C 2.310 178.347 176.094 -0.095 0.000 1.048 297 V CA 1.676 63.844 62.300 -0.220 0.000 1.049 297 V CB -0.486 31.149 31.823 -0.313 0.000 0.672 297 V HN 0.385 nan 8.190 nan 0.000 0.457 298 D N 0.639 121.023 120.400 -0.027 0.000 2.097 298 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 298 D C 1.994 178.294 176.300 -0.000 0.000 0.989 298 D CA 1.753 55.775 54.000 0.037 0.000 0.827 298 D CB -0.313 40.567 40.800 0.133 0.000 0.966 298 D HN 0.548 nan 8.370 nan 0.000 0.456 299 N N -0.791 117.899 118.700 -0.017 0.000 2.223 299 N HA -0.123 4.617 4.740 -0.000 0.000 0.185 299 N C 1.825 177.318 175.510 -0.028 0.000 1.016 299 N CA 0.748 53.786 53.050 -0.020 0.000 0.863 299 N CB 0.252 38.726 38.487 -0.022 0.000 0.983 299 N HN 0.060 nan 8.380 nan 0.000 0.429 300 V N 1.350 121.238 119.914 -0.042 0.000 2.427 300 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 300 V C 2.345 178.415 176.094 -0.040 0.000 1.051 300 V CA 1.775 64.049 62.300 -0.044 0.000 1.048 300 V CB -0.772 31.015 31.823 -0.060 0.000 0.666 300 V HN 0.323 nan 8.190 nan 0.000 0.456 301 A N 0.376 123.171 122.820 -0.042 0.000 1.841 301 A HA -0.206 4.114 4.320 -0.000 0.000 0.214 301 A C 2.365 179.931 177.584 -0.030 0.000 1.195 301 A CA 1.785 53.798 52.037 -0.040 0.000 0.611 301 A CB -0.540 18.434 19.000 -0.044 0.000 0.835 301 A HN 0.467 nan 8.150 nan 0.000 0.443 302 R N 0.276 120.765 120.500 -0.019 0.000 2.127 302 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 302 R C 2.500 178.790 176.300 -0.017 0.000 1.134 302 R CA 1.717 57.809 56.100 -0.014 0.000 0.975 302 R CB -0.345 29.952 30.300 -0.004 0.000 0.865 302 R HN 0.732 nan 8.270 nan 0.000 0.447 303 S N 0.194 115.882 115.700 -0.019 0.000 2.446 303 S HA 0.031 4.501 4.470 -0.000 0.000 0.225 303 S C 1.950 176.537 174.600 -0.022 0.000 1.016 303 S CA 0.317 58.506 58.200 -0.020 0.000 0.943 303 S CB -0.110 63.079 63.200 -0.019 0.000 0.786 303 S HN 0.199 nan 8.310 nan 0.000 0.508 304 L N 1.027 122.234 121.223 -0.026 0.000 2.217 304 L HA 0.180 4.520 4.340 -0.000 0.000 0.211 304 L C 1.148 178.001 176.870 -0.028 0.000 1.107 304 L CA 0.831 55.654 54.840 -0.027 0.000 0.783 304 L CB 0.059 42.099 42.059 -0.032 0.000 0.919 304 L HN 0.513 nan 8.230 nan 0.000 0.442 305 S N -2.009 113.674 115.700 -0.028 0.000 2.586 305 S HA 0.131 4.601 4.470 -0.000 0.000 0.277 305 S C -1.020 173.563 174.600 -0.028 0.000 1.131 305 S CA -0.745 57.438 58.200 -0.029 0.000 0.848 305 S CB 1.182 64.362 63.200 -0.033 0.000 1.091 305 S HN 0.087 nan 8.310 nan 0.000 0.453 306 D N 1.983 122.366 120.400 -0.027 0.000 2.328 306 D HA 0.355 4.995 4.640 -0.000 0.000 0.221 306 D C 1.473 177.755 176.300 -0.031 0.000 1.072 306 D CA 0.655 54.641 54.000 -0.024 0.000 0.850 306 D CB 0.280 41.067 40.800 -0.021 0.000 0.922 306 D HN 0.585 nan 8.370 nan 0.000 0.516 307 A N 0.741 123.538 122.820 -0.039 0.000 2.235 307 A HA -0.036 4.283 4.320 -0.000 0.000 0.208 307 A C 0.492 178.036 177.584 -0.066 0.000 1.172 307 A CA 0.237 52.243 52.037 -0.052 0.000 0.786 307 A CB -0.110 18.857 19.000 -0.054 0.000 0.804 307 A HN 0.019 nan 8.150 nan 0.000 0.479 308 E N -0.777 119.390 120.200 -0.054 0.000 2.271 308 E HA -0.186 4.164 4.350 -0.000 0.000 0.223 308 E C -0.505 176.047 176.600 -0.081 0.000 1.223 308 E CA 0.564 56.929 56.400 -0.060 0.000 0.704 308 E CB -2.032 27.631 29.700 -0.061 0.000 1.194 308 E HN 0.723 nan 8.360 nan 0.000 0.375 309 I N 2.272 122.798 120.570 -0.073 0.000 2.662 309 I HA -0.007 4.163 4.170 -0.000 0.000 0.285 309 I C -1.229 174.836 176.117 -0.087 0.000 1.161 309 I CA -1.173 60.080 61.300 -0.078 0.000 1.415 309 I CB 0.089 38.052 38.000 -0.063 0.000 1.385 309 I HN -0.098 nan 8.210 nan 0.000 0.552 310 P HA -0.047 nan 4.420 nan 0.000 0.264 310 P C 0.917 178.135 177.300 -0.137 0.000 1.193 310 P CA 0.243 63.276 63.100 -0.112 0.000 0.763 310 P CB 1.015 32.670 31.700 -0.074 0.000 0.810 311 I N 2.941 123.381 120.570 -0.216 0.000 2.399 311 I HA -0.314 3.856 4.170 -0.000 0.000 0.254 311 I C 2.041 178.047 176.117 -0.185 0.000 1.146 311 I CA 1.891 63.046 61.300 -0.241 0.000 1.412 311 I CB -0.001 37.727 38.000 -0.454 0.000 1.076 311 I HN 0.380 nan 8.210 nan 0.000 0.432 312 S N 0.824 116.416 115.700 -0.178 0.000 2.399 312 S HA -0.187 4.283 4.470 -0.000 0.000 0.231 312 S C 1.888 176.462 174.600 -0.044 0.000 1.022 312 S CA 1.253 59.394 58.200 -0.098 0.000 0.983 312 S CB -0.799 62.339 63.200 -0.104 0.000 0.803 312 S HN 0.539 nan 8.310 nan 0.000 0.480 313 I N 1.288 121.823 120.570 -0.057 0.000 2.252 313 I HA -0.109 4.061 4.170 -0.000 0.000 0.245 313 I C 2.388 178.469 176.117 -0.060 0.000 1.102 313 I CA 1.151 62.424 61.300 -0.045 0.000 1.385 313 I CB -0.380 37.595 38.000 -0.042 0.000 1.064 313 I HN 0.271 nan 8.210 nan 0.000 0.414 314 L N 0.343 121.525 121.223 -0.068 0.000 2.156 314 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 314 L C 2.796 179.636 176.870 -0.051 0.000 1.095 314 L CA 1.715 56.513 54.840 -0.069 0.000 0.770 314 L CB -0.893 41.119 42.059 -0.078 0.000 0.914 314 L HN 0.422 nan 8.230 nan 0.000 0.439 315 T N -2.788 111.756 114.554 -0.016 0.000 2.915 315 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 315 T C 1.826 176.561 174.700 0.058 0.000 1.071 315 T CA 0.932 63.081 62.100 0.083 0.000 1.132 315 T CB -0.154 68.808 68.868 0.157 0.000 0.878 315 T HN 0.307 nan 8.240 nan 0.000 0.479 316 A N 1.258 124.034 122.820 -0.073 0.000 1.903 316 A HA 0.386 4.706 4.320 -0.000 0.000 0.213 316 A C 2.357 179.683 177.584 -0.429 0.000 1.185 316 A CA 0.539 52.319 52.037 -0.428 0.000 0.628 316 A CB -0.650 18.191 19.000 -0.264 0.000 0.830 316 A HN 0.483 nan 8.150 nan 0.000 0.446 317 L N -0.510 120.582 121.223 -0.218 0.000 2.093 317 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 317 L C 2.315 179.103 176.870 -0.135 0.000 1.085 317 L CA 1.038 55.775 54.840 -0.172 0.000 0.755 317 L CB -0.323 41.672 42.059 -0.107 0.000 0.904 317 L HN 0.385 nan 8.230 nan 0.000 0.435 318 I N -1.066 119.453 120.570 -0.085 0.000 2.494 318 I HA -0.057 4.112 4.170 -0.000 0.000 0.250 318 I C 2.590 178.725 176.117 0.029 0.000 1.112 318 I CA 0.966 62.260 61.300 -0.009 0.000 1.438 318 I CB -0.672 37.347 38.000 0.031 0.000 1.111 318 I HN 0.180 nan 8.210 nan 0.000 0.431 319 G N 0.890 109.705 108.800 0.025 0.000 2.421 319 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 319 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 319 G C 1.871 176.726 174.900 -0.076 0.000 1.171 319 G CA 0.907 46.063 45.100 0.092 0.000 0.775 319 G HN 0.449 nan 8.290 nan 0.000 0.543 320 A N 1.780 124.236 122.820 -0.607 0.000 1.865 320 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 320 A C 1.052 178.564 177.584 -0.120 0.000 1.191 320 A CA 2.252 53.863 52.037 -0.711 0.000 0.623 320 A CB -1.273 17.148 19.000 -0.964 0.000 0.826 320 A HN 0.442 nan 8.150 nan 0.000 0.444 321 P HA -0.107 nan 4.420 nan 0.000 0.219 321 P C 1.587 178.915 177.300 0.047 0.000 1.150 321 P CA 0.934 64.022 63.100 -0.020 0.000 0.814 321 P CB -0.132 31.540 31.700 -0.047 0.000 0.787 322 L N -0.758 120.515 121.223 0.084 0.000 2.093 322 L HA -0.044 4.295 4.340 -0.000 0.000 0.208 322 L C 2.374 179.350 176.870 0.176 0.000 1.085 322 L CA 1.493 56.409 54.840 0.127 0.000 0.755 322 L CB -1.770 40.385 42.059 0.161 0.000 0.904 322 L HN -0.193 nan 8.230 nan 0.000 0.435 323 F N 0.270 120.267 119.950 0.078 0.000 2.171 323 F HA 0.002 4.529 4.527 -0.001 0.000 0.300 323 F C 2.129 177.971 175.800 0.070 0.000 1.090 323 F CA 1.439 59.504 58.000 0.107 0.000 1.293 323 F CB -0.847 38.294 39.000 0.236 0.000 1.013 323 F HN 0.118 nan 8.300 nan 0.000 0.486 324 G N 0.327 109.170 108.800 0.071 0.000 2.433 324 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 324 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 324 G C 1.774 176.648 174.900 -0.043 0.000 1.186 324 G CA 1.654 46.733 45.100 -0.036 0.000 0.779 324 G HN 0.492 nan 8.290 nan 0.000 0.543 325 V N -0.926 118.991 119.914 0.006 0.000 2.490 325 V HA -0.078 4.042 4.120 -0.000 0.000 0.250 325 V C 2.628 178.772 176.094 0.084 0.000 1.061 325 V CA 1.499 63.835 62.300 0.060 0.000 1.064 325 V CB -0.559 31.298 31.823 0.057 0.000 0.670 325 V HN 0.138 nan 8.190 nan 0.000 0.461 326 L N 0.172 121.395 121.223 0.000 0.000 2.027 326 L HA -0.017 4.323 4.340 -0.000 0.000 0.206 326 L C 2.646 179.418 176.870 -0.163 0.000 1.074 326 L CA 1.864 56.688 54.840 -0.028 0.000 0.745 326 L CB -0.860 41.169 42.059 -0.049 0.000 0.898 326 L HN 0.254 nan 8.230 nan 0.000 0.433 327 V N -1.756 117.965 119.914 -0.322 0.000 2.626 327 V HA -0.275 3.845 4.120 -0.000 0.000 0.252 327 V C 2.081 178.113 176.094 -0.104 0.000 1.067 327 V CA 1.009 63.115 62.300 -0.322 0.000 1.081 327 V CB -0.849 30.692 31.823 -0.469 0.000 0.686 327 V HN 0.469 nan 8.190 nan 0.000 0.468 328 Y N 1.531 121.743 120.300 -0.146 0.000 2.680 328 Y HA 0.048 4.598 4.550 -0.001 0.000 0.303 328 Y C 1.065 176.933 175.900 -0.053 0.000 1.166 328 Y CA -0.026 58.026 58.100 -0.080 0.000 1.344 328 Y CB -0.306 38.120 38.460 -0.056 0.000 1.002 328 Y HN 0.135 nan 8.280 nan 0.000 0.537 329 K N -1.026 119.329 120.400 -0.076 0.000 1.154 329 K HA -0.198 4.121 4.320 -0.000 0.000 0.809 329 K C -0.965 175.605 176.600 -0.050 0.000 2.382 329 K CA 0.698 56.935 56.287 -0.083 0.000 1.525 329 K CB -1.362 31.049 32.500 -0.148 0.000 2.768 329 K HN 0.223 nan 8.250 nan 0.000 0.182 330 L N 0.000 121.211 121.223 -0.021 0.000 2.949 330 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 330 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 330 L CB 0.000 42.074 42.059 0.025 0.000 0.961 330 L HN 0.000 nan 8.230 nan 0.000 0.502