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 2z2q_1_C DATA FIRST_RESID 57 DATA SEQUENCE TRLSQPGLAF LKcAFAPPDF NTDPGKGIPD RFEGKVVSRK DVLNQSISFT DATA SEQUENCE AGQDTFILIA PTPGVAYWSA SVPAGTFPTS ATTFNPVNYP GFTSMFGTTS DATA SEQUENCE TSRSDQVSSF RYASMNVGIY PTSNLMQFAG SITVWKCPVK LSTVQFPVAT DATA SEQUENCE DPATSSLVHT LVGLDGVLAV GPDNFSESFI KGVFSQSACN EPDFEFNDIL DATA SEQUENCE EGIQTLPPAN VSLGSTGQPF TMDSGAEATS GVVGWGNMDT IVIRVSAPEG DATA SEQUENCE AVNSAILKAW ScIEYRPNPN AMLYQFGHDS PPLDEVALQE YRTVARSLPV DATA SEQUENCE AVIAAQN 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 57 T HA 0.000 nan 4.350 nan 0.000 0.228 57 T C 0.000 174.720 174.700 0.033 0.000 1.109 57 T CA 0.000 62.118 62.100 0.030 0.000 1.349 57 T CB 0.000 68.886 68.868 0.031 0.000 0.612 58 R N 1.353 121.871 120.500 0.031 0.000 2.532 58 R HA 0.709 5.049 4.340 0.000 0.000 0.295 58 R C -0.159 176.163 176.300 0.036 0.000 0.968 58 R CA -1.041 55.079 56.100 0.033 0.000 0.916 58 R CB 1.160 31.476 30.300 0.026 0.000 1.124 58 R HN 0.393 nan 8.270 nan 0.000 0.463 59 L N 1.089 122.338 121.223 0.043 0.000 2.439 59 L HA 0.324 4.664 4.340 0.000 0.000 0.261 59 L C 1.067 177.957 176.870 0.033 0.000 1.153 59 L CA -0.370 54.500 54.840 0.048 0.000 0.808 59 L CB 0.815 42.914 42.059 0.066 0.000 1.126 59 L HN 0.672 nan 8.230 nan 0.000 0.460 60 S N -0.009 115.707 115.700 0.027 0.000 2.632 60 S HA 0.099 4.569 4.470 0.000 0.000 0.267 60 S C 0.613 175.220 174.600 0.012 0.000 1.276 60 S CA -0.481 57.726 58.200 0.011 0.000 0.998 60 S CB 1.426 64.626 63.200 -0.001 0.000 0.953 60 S HN 0.654 nan 8.310 nan 0.000 0.547 61 Q N 1.714 121.514 119.800 0.000 0.000 2.014 61 Q HA -0.052 4.288 4.340 0.000 0.000 0.207 61 Q C -1.069 174.926 176.000 -0.007 0.000 0.993 61 Q CA 2.529 58.329 55.803 -0.005 0.000 0.850 61 Q CB -1.968 26.761 28.738 -0.016 0.000 0.916 61 Q HN 0.645 nan 8.270 nan 0.000 0.417 62 P HA -0.077 nan 4.420 nan 0.000 0.216 62 P C 1.165 178.480 177.300 0.025 0.000 1.150 62 P CA 2.028 65.117 63.100 -0.018 0.000 0.837 62 P CB -0.531 31.142 31.700 -0.045 0.000 0.786 63 G N -0.087 108.733 108.800 0.032 0.000 2.422 63 G HA2 -0.249 3.711 3.960 0.000 0.000 0.218 63 G HA3 -0.249 3.711 3.960 0.000 0.000 0.218 63 G C 1.448 176.445 174.900 0.161 0.000 1.146 63 G CA 0.571 45.732 45.100 0.103 0.000 0.769 63 G HN 0.236 nan 8.290 nan 0.000 0.547 64 L N 1.255 122.530 121.223 0.087 0.000 2.056 64 L HA 0.231 4.571 4.340 0.000 0.000 0.207 64 L C 2.985 179.872 176.870 0.030 0.000 1.078 64 L CA 2.129 57.010 54.840 0.067 0.000 0.749 64 L CB -0.662 41.419 42.059 0.036 0.000 0.901 64 L HN 0.206 nan 8.230 nan 0.000 0.433 65 A N -0.901 121.922 122.820 0.005 0.000 1.930 65 A HA -0.224 4.096 4.320 0.000 0.000 0.217 65 A C 2.231 179.814 177.584 -0.002 0.000 1.175 65 A CA 1.599 53.601 52.037 -0.058 0.000 0.627 65 A CB -1.141 17.824 19.000 -0.059 0.000 0.815 65 A HN 0.571 nan 8.150 nan 0.000 0.443 66 F N 0.824 120.721 119.950 -0.090 0.000 2.095 66 F HA -0.155 4.372 4.527 0.000 0.000 0.298 66 F C 1.816 177.585 175.800 -0.050 0.000 1.104 66 F CA 1.718 59.654 58.000 -0.106 0.000 1.232 66 F CB -0.468 38.447 39.000 -0.142 0.000 0.987 66 F HN 0.141 nan 8.300 nan 0.000 0.475 67 L N 0.092 121.254 121.223 -0.101 0.000 2.083 67 L HA -0.217 4.123 4.340 0.000 0.000 0.209 67 L C 2.473 179.335 176.870 -0.013 0.000 1.083 67 L CA 1.533 56.336 54.840 -0.062 0.000 0.752 67 L CB -0.666 41.501 42.059 0.180 0.000 0.899 67 L HN 0.119 nan 8.230 nan 0.000 0.433 68 K N -0.970 119.398 120.400 -0.054 0.000 2.025 68 K HA -0.165 4.155 4.320 0.000 0.000 0.207 68 K C 2.231 178.791 176.600 -0.067 0.000 1.049 68 K CA 1.481 57.725 56.287 -0.072 0.000 0.933 68 K CB -0.519 31.747 32.500 -0.390 0.000 0.714 68 K HN 0.290 nan 8.250 nan 0.000 0.438 69 c N 1.001 119.524 118.600 -0.128 0.000 2.419 69 c HA -0.050 4.520 4.570 0.000 0.000 0.281 69 c C 2.775 176.828 174.090 -0.062 0.000 1.336 69 c CA 0.942 57.248 56.329 -0.038 0.000 1.770 69 c CB -0.898 41.598 42.510 -0.022 0.000 1.929 69 c HN 0.524 nan 8.230 nan 0.000 0.509 70 A N -1.431 121.198 122.820 -0.319 0.000 1.930 70 A HA 0.114 4.434 4.320 0.000 0.000 0.215 70 A C 1.718 178.940 177.584 -0.604 0.000 1.176 70 A CA 1.384 53.068 52.037 -0.589 0.000 0.632 70 A CB -0.499 17.845 19.000 -1.093 0.000 0.819 70 A HN 0.612 nan 8.150 nan 0.000 0.445 71 F N -1.624 118.389 119.950 0.105 0.000 2.592 71 F HA 0.498 5.025 4.527 0.000 0.000 0.280 71 F C 1.091 177.076 175.800 0.308 0.000 1.083 71 F CA 0.517 58.617 58.000 0.166 0.000 1.365 71 F CB 0.575 39.630 39.000 0.092 0.000 1.100 71 F HN 0.142 nan 8.300 nan 0.000 0.633 72 A N 0.406 123.507 122.820 0.468 0.000 2.855 72 A HA 0.517 4.837 4.320 0.000 0.000 0.313 72 A C -2.417 175.414 177.584 0.412 0.000 1.173 72 A CA -0.878 51.408 52.037 0.415 0.000 0.753 72 A CB 0.146 19.310 19.000 0.274 0.000 1.200 72 A HN -0.039 nan 8.150 nan 0.000 0.442 73 P HA 0.123 nan 4.420 nan 0.000 0.251 73 P C -1.791 175.520 177.300 0.019 0.000 1.223 73 P CA 0.338 63.646 63.100 0.346 0.000 0.796 73 P CB -0.064 31.927 31.700 0.486 0.000 1.068 74 P HA -0.031 nan 4.420 nan 0.000 0.231 74 P C 0.343 177.530 177.300 -0.187 0.000 1.168 74 P CA 1.067 64.031 63.100 -0.227 0.000 0.779 74 P CB -0.292 31.305 31.700 -0.172 0.000 0.844 75 D N -1.534 118.770 120.400 -0.160 0.000 2.371 75 D HA -0.019 4.621 4.640 0.000 0.000 0.221 75 D C 0.118 175.997 176.300 -0.701 0.000 0.986 75 D CA 0.830 54.617 54.000 -0.355 0.000 0.899 75 D CB -0.373 40.221 40.800 -0.343 0.000 0.902 75 D HN 0.193 nan 8.370 nan 0.000 0.530 76 F N -0.416 119.478 119.950 -0.092 0.000 2.523 76 F HA 0.295 4.822 4.527 0.000 0.000 0.329 76 F C 1.341 177.085 175.800 -0.093 0.000 1.061 76 F CA -1.128 56.826 58.000 -0.077 0.000 0.967 76 F CB 1.293 40.259 39.000 -0.056 0.000 1.218 76 F HN -0.386 nan 8.300 nan 0.000 0.480 77 N N -0.409 118.332 118.700 0.067 0.000 2.220 77 N HA 0.009 4.749 4.740 0.000 0.000 0.182 77 N C -0.062 175.468 175.510 0.034 0.000 1.023 77 N CA 1.098 54.156 53.050 0.013 0.000 0.856 77 N CB 0.279 38.773 38.487 0.010 0.000 0.997 77 N HN 0.590 nan 8.380 nan 0.000 0.429 78 T N -0.422 114.184 114.554 0.088 0.000 2.901 78 T HA 0.275 4.625 4.350 0.000 0.000 0.293 78 T C -1.714 173.021 174.700 0.059 0.000 1.084 78 T CA -0.724 61.400 62.100 0.039 0.000 1.008 78 T CB 1.480 70.355 68.868 0.011 0.000 1.170 78 T HN 0.254 nan 8.240 nan 0.000 0.509 79 D N 1.249 121.645 120.400 -0.006 0.000 2.339 79 D HA 0.439 5.080 4.640 0.000 0.000 0.241 79 D C -2.633 173.611 176.300 -0.095 0.000 1.183 79 D CA -1.511 52.460 54.000 -0.049 0.000 0.859 79 D CB 0.448 41.226 40.800 -0.036 0.000 1.067 79 D HN 0.042 nan 8.370 nan 0.000 0.484 80 P HA 0.361 nan 4.420 nan 0.000 0.282 80 P C 0.241 177.467 177.300 -0.124 0.000 1.262 80 P CA -0.686 62.320 63.100 -0.157 0.000 0.773 80 P CB 1.478 33.036 31.700 -0.237 0.000 0.879 81 G N 2.524 111.278 108.800 -0.075 0.000 4.973 81 G HA2 0.056 4.016 3.960 0.000 0.000 0.211 81 G HA3 0.056 4.016 3.960 0.000 0.000 0.211 81 G C 0.698 175.588 174.900 -0.016 0.000 0.784 81 G CA -0.338 44.741 45.100 -0.036 0.000 0.657 81 G HN 0.313 nan 8.290 nan 0.000 0.480 82 K N 0.669 121.047 120.400 -0.038 0.000 2.280 82 K HA 0.328 4.648 4.320 0.000 0.000 0.202 82 K C 1.292 177.917 176.600 0.042 0.000 1.047 82 K CA 1.756 58.011 56.287 -0.054 0.000 0.942 82 K CB -0.054 32.384 32.500 -0.102 0.000 0.739 82 K HN 1.068 nan 8.250 nan 0.000 0.457 83 G N -1.176 107.640 108.800 0.026 0.000 2.359 83 G HA2 0.034 3.994 3.960 0.000 0.000 0.303 83 G HA3 0.034 3.994 3.960 0.000 0.000 0.303 83 G C -1.412 173.376 174.900 -0.186 0.000 1.293 83 G CA -0.606 44.491 45.100 -0.005 0.000 0.964 83 G HN 0.046 nan 8.290 nan 0.000 0.531 84 I N 1.690 122.065 120.570 -0.326 0.000 2.312 84 I HA 0.312 4.482 4.170 0.000 0.000 0.291 84 I C -1.814 173.967 176.117 -0.560 0.000 1.031 84 I CA -1.939 58.923 61.300 -0.730 0.000 1.293 84 I CB 1.973 39.452 38.000 -0.869 0.000 1.403 84 I HN 0.155 nan 8.210 nan 0.000 0.484 85 P HA 0.063 nan 4.420 nan 0.000 0.225 85 P C -1.088 176.023 177.300 -0.315 0.000 1.768 85 P CA -0.081 62.786 63.100 -0.388 0.000 0.943 85 P CB -0.515 30.983 31.700 -0.338 0.000 1.936 86 D N -1.478 118.768 120.400 -0.258 0.000 2.592 86 D HA 0.218 4.859 4.640 0.000 0.000 0.259 86 D C 1.326 177.608 176.300 -0.029 0.000 1.144 86 D CA -0.921 53.003 54.000 -0.126 0.000 1.080 86 D CB 0.901 41.642 40.800 -0.098 0.000 1.225 86 D HN -0.262 nan 8.370 nan 0.000 0.619 87 R N -0.977 119.538 120.500 0.024 0.000 2.154 87 R HA -0.111 4.230 4.340 0.000 0.000 0.248 87 R C 0.511 176.861 176.300 0.084 0.000 1.155 87 R CA 0.446 56.574 56.100 0.048 0.000 0.979 87 R CB -0.879 29.462 30.300 0.069 0.000 0.869 87 R HN 0.484 nan 8.270 nan 0.000 0.452 88 F N 1.930 121.869 119.950 -0.018 0.000 2.543 88 F HA -0.033 4.494 4.527 0.000 0.000 0.375 88 F C 0.861 176.663 175.800 0.003 0.000 1.075 88 F CA 0.462 58.474 58.000 0.020 0.000 1.225 88 F CB 0.560 39.605 39.000 0.075 0.000 1.099 88 F HN -0.061 nan 8.300 nan 0.000 0.561 89 E N 3.981 123.730 120.200 -0.752 0.000 2.714 89 E HA 0.174 4.524 4.350 0.000 0.000 0.219 89 E C 0.838 176.967 176.600 -0.785 0.000 0.979 89 E CA -0.239 55.805 56.400 -0.594 0.000 1.092 89 E CB 0.667 30.193 29.700 -0.290 0.000 1.049 89 E HN 0.801 nan 8.360 nan 0.000 0.487 90 G N 1.513 109.338 108.800 -1.625 0.000 2.653 90 G HA2 0.098 4.058 3.960 0.000 0.000 0.265 90 G HA3 0.098 4.058 3.960 0.000 0.000 0.265 90 G C -0.029 174.671 174.900 -0.334 0.000 1.237 90 G CA -0.413 44.189 45.100 -0.830 0.000 0.946 90 G HN -0.065 nan 8.290 nan 0.000 0.522 91 K N -0.723 119.614 120.400 -0.105 0.000 2.412 91 K HA 0.361 4.681 4.320 0.000 0.000 0.281 91 K C 0.116 176.682 176.600 -0.057 0.000 1.027 91 K CA 0.011 56.231 56.287 -0.111 0.000 0.989 91 K CB 0.505 32.932 32.500 -0.121 0.000 0.935 91 K HN 0.581 nan 8.250 nan 0.000 0.475 92 V N 0.469 120.271 119.914 -0.186 0.000 3.181 92 V HA 0.709 4.829 4.120 0.000 0.000 0.308 92 V C -1.296 174.618 176.094 -0.300 0.000 1.214 92 V CA -1.059 61.167 62.300 -0.124 0.000 1.053 92 V CB 2.171 34.004 31.823 0.017 0.000 1.069 92 V HN 0.336 nan 8.190 nan 0.000 0.441 93 V N 2.198 122.054 119.914 -0.097 0.000 2.483 93 V HA 0.712 4.832 4.120 0.000 0.000 0.297 93 V C 0.027 176.183 176.094 0.103 0.000 1.027 93 V CA 0.290 62.574 62.300 -0.027 0.000 0.855 93 V CB 2.030 33.882 31.823 0.049 0.000 0.995 93 V HN 1.302 nan 8.190 nan 0.000 0.424 94 S N 5.930 121.715 115.700 0.143 0.000 2.475 94 S HA 0.830 5.300 4.470 0.000 0.000 0.298 94 S C -0.573 174.105 174.600 0.129 0.000 1.119 94 S CA -0.856 57.435 58.200 0.152 0.000 1.085 94 S CB 1.828 65.140 63.200 0.187 0.000 1.028 94 S HN 0.821 nan 8.310 nan 0.000 0.489 95 R N 1.527 122.087 120.500 0.100 0.000 2.575 95 R HA 0.444 4.784 4.340 0.000 0.000 0.293 95 R C -1.346 174.959 176.300 0.009 0.000 0.983 95 R CA -0.620 55.519 56.100 0.065 0.000 0.887 95 R CB 1.343 31.726 30.300 0.139 0.000 1.184 95 R HN 0.700 nan 8.270 nan 0.000 0.445 96 K N 4.020 124.414 120.400 -0.009 0.000 2.347 96 K HA 0.160 4.480 4.320 0.000 0.000 0.262 96 K C -1.153 175.419 176.600 -0.047 0.000 1.052 96 K CA -0.547 55.735 56.287 -0.008 0.000 0.946 96 K CB 0.867 33.377 32.500 0.016 0.000 1.220 96 K HN 0.650 nan 8.250 nan 0.000 0.450 97 D N 2.586 122.888 120.400 -0.163 0.000 2.350 97 D HA 0.168 4.808 4.640 0.000 0.000 0.249 97 D C -0.435 175.749 176.300 -0.193 0.000 1.119 97 D CA -0.025 53.758 54.000 -0.361 0.000 0.886 97 D CB 1.777 41.966 40.800 -1.018 0.000 1.195 97 D HN 0.126 nan 8.370 nan 0.000 0.437 98 V N 3.181 123.153 119.914 0.095 0.000 2.686 98 V HA 0.303 4.423 4.120 0.000 0.000 0.306 98 V C -0.509 175.878 176.094 0.488 0.000 1.065 98 V CA -0.911 61.606 62.300 0.362 0.000 0.894 98 V CB 2.159 34.094 31.823 0.187 0.000 1.004 98 V HN 0.308 nan 8.190 nan 0.000 0.424 99 L N 4.363 125.943 121.223 0.595 0.000 2.346 99 L HA 0.672 5.012 4.340 0.000 0.000 0.276 99 L C -0.499 176.551 176.870 0.301 0.000 1.006 99 L CA 0.160 55.231 54.840 0.386 0.000 0.817 99 L CB 1.778 43.975 42.059 0.231 0.000 1.272 99 L HN 0.669 nan 8.230 nan 0.000 0.421 100 N N 3.910 122.736 118.700 0.210 0.000 2.354 100 N HA 0.402 5.143 4.740 0.000 0.000 0.287 100 N C -1.847 173.746 175.510 0.139 0.000 1.016 100 N CA -0.354 52.801 53.050 0.176 0.000 0.871 100 N CB 2.144 40.707 38.487 0.126 0.000 1.299 100 N HN 0.731 nan 8.380 nan 0.000 0.482 101 Q N 1.754 121.635 119.800 0.136 0.000 2.296 101 Q HA 0.251 4.591 4.340 0.000 0.000 0.254 101 Q C -1.430 174.614 176.000 0.074 0.000 0.936 101 Q CA -0.640 55.222 55.803 0.098 0.000 0.834 101 Q CB 1.020 29.828 28.738 0.116 0.000 1.340 101 Q HN 0.491 nan 8.270 nan 0.000 0.428 102 S N 5.177 120.908 115.700 0.053 0.000 2.455 102 S HA 0.475 4.945 4.470 0.000 0.000 0.278 102 S C 0.073 174.672 174.600 -0.002 0.000 1.216 102 S CA -0.553 57.672 58.200 0.041 0.000 1.055 102 S CB 0.204 63.427 63.200 0.038 0.000 0.939 102 S HN 0.634 nan 8.310 nan 0.000 0.494 103 I N 0.414 120.958 120.570 -0.042 0.000 2.785 103 I HA 0.713 4.883 4.170 0.000 0.000 0.302 103 I C -0.764 175.228 176.117 -0.208 0.000 1.069 103 I CA -0.627 60.574 61.300 -0.165 0.000 1.045 103 I CB 2.310 40.127 38.000 -0.304 0.000 1.236 103 I HN 0.473 nan 8.210 nan 0.000 0.429 104 S N 5.471 121.030 115.700 -0.236 0.000 2.669 104 S HA 0.552 5.022 4.470 0.000 0.000 0.315 104 S C -0.847 173.635 174.600 -0.198 0.000 1.106 104 S CA -0.492 57.621 58.200 -0.146 0.000 1.107 104 S CB 0.207 63.377 63.200 -0.049 0.000 0.990 104 S HN 0.443 nan 8.310 nan 0.000 0.471 105 F N 2.739 122.687 119.950 -0.002 0.000 2.504 105 F HA 0.161 4.688 4.527 0.000 0.000 0.369 105 F C 1.577 177.341 175.800 -0.059 0.000 1.082 105 F CA -0.139 57.839 58.000 -0.037 0.000 1.216 105 F CB 0.509 39.457 39.000 -0.086 0.000 1.108 105 F HN 0.284 nan 8.300 nan 0.000 0.554 106 T N 4.027 118.663 114.554 0.137 0.000 2.829 106 T HA 0.288 4.638 4.350 0.000 0.000 0.293 106 T C 0.440 175.164 174.700 0.041 0.000 0.970 106 T CA -0.489 61.649 62.100 0.063 0.000 1.168 106 T CB 0.221 69.119 68.868 0.051 0.000 0.911 106 T HN 0.718 nan 8.240 nan 0.000 0.535 107 A N 3.010 125.837 122.820 0.012 0.000 2.483 107 A HA 0.520 4.840 4.320 0.000 0.000 0.238 107 A C 1.649 179.228 177.584 -0.009 0.000 1.070 107 A CA 0.136 52.167 52.037 -0.011 0.000 0.770 107 A CB -0.586 18.403 19.000 -0.017 0.000 1.008 107 A HN 1.623 nan 8.150 nan 0.000 0.497 108 G N 0.541 109.330 108.800 -0.019 0.000 2.184 108 G HA2 -0.207 3.753 3.960 0.000 0.000 0.264 108 G HA3 -0.207 3.753 3.960 0.000 0.000 0.264 108 G C 0.086 174.983 174.900 -0.006 0.000 0.975 108 G CA 0.789 45.881 45.100 -0.013 0.000 0.642 108 G HN 1.022 nan 8.290 nan 0.000 0.536 109 Q N -0.505 119.294 119.800 -0.001 0.000 2.495 109 Q HA 0.545 4.886 4.340 0.000 0.000 0.287 109 Q C -1.824 174.180 176.000 0.006 0.000 1.078 109 Q CA -1.038 54.772 55.803 0.012 0.000 0.793 109 Q CB 1.674 30.430 28.738 0.029 0.000 1.459 109 Q HN 0.150 nan 8.270 nan 0.000 0.422 110 D N 1.276 121.692 120.400 0.027 0.000 2.256 110 D HA 0.325 4.965 4.640 0.000 0.000 0.240 110 D C -1.007 175.344 176.300 0.086 0.000 1.062 110 D CA -0.034 53.966 54.000 0.000 0.000 0.832 110 D CB 1.683 42.489 40.800 0.010 0.000 1.135 110 D HN 0.230 nan 8.370 nan 0.000 0.484 111 T N 2.348 116.913 114.554 0.018 0.000 2.795 111 T HA 0.417 4.767 4.350 0.000 0.000 0.282 111 T C -0.335 174.398 174.700 0.054 0.000 0.980 111 T CA -0.421 61.762 62.100 0.140 0.000 1.012 111 T CB 0.309 69.329 68.868 0.253 0.000 0.936 111 T HN 0.049 nan 8.240 nan 0.000 0.457 112 F N 2.713 122.717 119.950 0.090 0.000 2.436 112 F HA 0.584 5.111 4.527 0.000 0.000 0.340 112 F C 0.270 176.230 175.800 0.265 0.000 1.113 112 F CA -1.268 56.828 58.000 0.160 0.000 1.022 112 F CB 0.950 40.101 39.000 0.252 0.000 1.128 112 F HN 0.338 nan 8.300 nan 0.000 0.466 113 I N 4.884 125.600 120.570 0.243 0.000 2.406 113 I HA 0.371 4.541 4.170 0.000 0.000 0.290 113 I C -0.995 175.200 176.117 0.131 0.000 0.999 113 I CA -0.620 60.810 61.300 0.217 0.000 1.124 113 I CB 1.690 39.682 38.000 -0.014 0.000 1.289 113 I HN 0.314 nan 8.210 nan 0.000 0.441 114 L N 7.023 128.374 121.223 0.213 0.000 2.305 114 L HA 0.501 4.841 4.340 0.000 0.000 0.284 114 L C -0.693 176.279 176.870 0.171 0.000 1.013 114 L CA -0.705 54.183 54.840 0.080 0.000 0.819 114 L CB 1.778 43.822 42.059 -0.024 0.000 1.227 114 L HN 0.460 nan 8.230 nan 0.000 0.417 115 I N 3.480 124.071 120.570 0.035 0.000 2.282 115 I HA 0.389 4.559 4.170 0.000 0.000 0.290 115 I C 0.472 176.567 176.117 -0.038 0.000 1.090 115 I CA 0.414 61.735 61.300 0.035 0.000 1.231 115 I CB 1.164 39.118 38.000 -0.076 0.000 1.434 115 I HN 0.630 nan 8.210 nan 0.000 0.487 116 A N 8.488 131.308 122.820 -0.001 0.000 2.330 116 A HA 0.825 5.145 4.320 0.000 0.000 0.329 116 A C -2.267 175.072 177.584 -0.408 0.000 1.135 116 A CA -1.533 50.336 52.037 -0.280 0.000 0.817 116 A CB 0.724 19.491 19.000 -0.389 0.000 1.269 116 A HN 0.469 nan 8.150 nan 0.000 0.469 117 P HA 0.066 nan 4.420 nan 0.000 0.237 117 P C -0.151 176.876 177.300 -0.455 0.000 1.723 117 P CA 0.314 62.909 63.100 -0.841 0.000 0.882 117 P CB -1.023 30.071 31.700 -1.010 0.000 1.810 118 T N -1.767 112.668 114.554 -0.199 0.000 2.832 118 T HA 0.406 4.756 4.350 0.000 0.000 0.313 118 T C -2.744 172.059 174.700 0.171 0.000 1.035 118 T CA -2.974 59.138 62.100 0.021 0.000 0.950 118 T CB 0.282 69.309 68.868 0.265 0.000 0.984 118 T HN -0.071 nan 8.240 nan 0.000 0.486 119 P HA 0.168 nan 4.420 nan 0.000 0.263 119 P C 1.328 178.713 177.300 0.142 0.000 1.168 119 P CA 1.330 64.413 63.100 -0.028 0.000 0.759 119 P CB 0.080 31.528 31.700 -0.420 0.000 0.782 120 G N 1.182 110.239 108.800 0.427 0.000 2.267 120 G HA2 -0.230 3.730 3.960 0.000 0.000 0.257 120 G HA3 -0.230 3.730 3.960 0.000 0.000 0.257 120 G C -0.010 175.259 174.900 0.614 0.000 0.998 120 G CA 0.053 45.527 45.100 0.623 0.000 0.620 120 G HN 0.565 nan 8.290 nan 0.000 0.529 121 V N 1.399 121.554 119.914 0.402 0.000 2.357 121 V HA 0.690 4.810 4.120 0.000 0.000 0.284 121 V C 1.442 177.449 176.094 -0.145 0.000 1.018 121 V CA 0.272 62.595 62.300 0.039 0.000 0.841 121 V CB 0.891 32.651 31.823 -0.104 0.000 0.991 121 V HN 0.774 nan 8.190 nan 0.000 0.437 122 A N 5.386 127.795 122.820 -0.685 0.000 1.865 122 A HA 0.005 4.325 4.320 0.000 0.000 0.217 122 A C 0.719 178.199 177.584 -0.173 0.000 1.191 122 A CA 2.194 53.672 52.037 -0.932 0.000 0.623 122 A CB -0.190 18.274 19.000 -0.894 0.000 0.826 122 A HN 1.203 nan 8.150 nan 0.000 0.444 123 Y N -6.527 113.598 120.300 -0.292 0.000 2.689 123 Y HA 0.602 5.152 4.550 0.000 0.000 0.333 123 Y C -1.664 174.119 175.900 -0.195 0.000 1.208 123 Y CA -2.493 55.551 58.100 -0.093 0.000 1.055 123 Y CB 0.147 38.580 38.460 -0.044 0.000 1.304 123 Y HN 0.093 nan 8.280 nan 0.000 0.455 124 W N 1.602 123.032 121.300 0.215 0.000 2.689 124 W HA 0.784 5.444 4.660 0.000 0.000 0.340 124 W C -0.605 176.207 176.519 0.488 0.000 1.060 124 W CA -0.323 57.152 57.345 0.217 0.000 1.218 124 W CB 2.269 31.841 29.460 0.186 0.000 1.410 124 W HN 0.814 nan 8.180 nan 0.000 0.528 125 S N 0.890 116.997 115.700 0.678 0.000 2.625 125 S HA 0.972 5.442 4.470 0.000 0.000 0.271 125 S C -1.057 173.658 174.600 0.191 0.000 1.161 125 S CA -0.710 57.864 58.200 0.624 0.000 0.820 125 S CB 2.003 65.494 63.200 0.486 0.000 1.137 125 S HN 1.254 nan 8.310 nan 0.000 0.470 126 A N 0.697 123.458 122.820 -0.098 0.000 2.608 126 A HA 0.879 5.199 4.320 0.000 0.000 0.292 126 A C -0.619 176.879 177.584 -0.142 0.000 1.066 126 A CA -0.251 51.541 52.037 -0.410 0.000 0.676 126 A CB 1.074 19.314 19.000 -1.265 0.000 1.277 126 A HN 2.151 nan 8.150 nan 0.000 0.413 127 S N -0.197 115.443 115.700 -0.101 0.000 2.542 127 S HA 0.883 5.353 4.470 0.000 0.000 0.293 127 S C -0.269 174.317 174.600 -0.023 0.000 1.089 127 S CA -0.016 58.197 58.200 0.021 0.000 0.961 127 S CB 1.189 64.424 63.200 0.058 0.000 1.062 127 S HN 2.220 nan 8.310 nan 0.000 0.483 128 V N -2.334 117.602 119.914 0.036 0.000 3.155 128 V HA 0.818 4.939 4.120 0.000 0.000 0.313 128 V C -3.241 172.870 176.094 0.030 0.000 1.162 128 V CA -3.101 59.199 62.300 -0.000 0.000 1.048 128 V CB 0.771 32.571 31.823 -0.038 0.000 1.092 128 V HN 0.697 nan 8.190 nan 0.000 0.447 129 P HA 0.330 nan 4.420 nan 0.000 0.271 129 P C -0.137 177.178 177.300 0.024 0.000 1.216 129 P CA 0.396 63.507 63.100 0.018 0.000 0.776 129 P CB 0.392 32.102 31.700 0.016 0.000 0.881 130 A N 3.399 126.228 122.820 0.014 0.000 2.608 130 A HA 0.294 4.614 4.320 0.000 0.000 0.239 130 A C 1.620 179.211 177.584 0.011 0.000 1.018 130 A CA 0.961 53.001 52.037 0.005 0.000 0.766 130 A CB -1.561 17.438 19.000 -0.003 0.000 0.928 130 A HN 0.935 nan 8.150 nan 0.000 0.512 131 G N 1.644 110.442 108.800 -0.004 0.000 2.155 131 G HA2 -0.147 3.813 3.960 0.000 0.000 0.257 131 G HA3 -0.147 3.813 3.960 0.000 0.000 0.257 131 G C 0.610 175.535 174.900 0.041 0.000 0.983 131 G CA 1.526 46.631 45.100 0.009 0.000 0.676 131 G HN 2.452 nan 8.290 nan 0.000 0.528 132 T N -2.587 111.982 114.554 0.025 0.000 2.905 132 T HA 0.839 5.189 4.350 0.000 0.000 0.283 132 T C -0.268 174.420 174.700 -0.020 0.000 1.031 132 T CA -0.911 61.251 62.100 0.103 0.000 1.002 132 T CB 2.285 71.207 68.868 0.090 0.000 1.200 132 T HN 0.408 nan 8.240 nan 0.000 0.560 133 F N -0.128 119.838 119.950 0.027 0.000 2.631 133 F HA 0.659 5.186 4.527 0.000 0.000 0.328 133 F C -2.297 173.333 175.800 -0.283 0.000 1.067 133 F CA -2.485 55.410 58.000 -0.175 0.000 0.969 133 F CB 1.099 40.081 39.000 -0.029 0.000 1.332 133 F HN 0.391 nan 8.300 nan 0.000 0.490 134 P HA 0.121 nan 4.420 nan 0.000 0.267 134 P C -0.480 176.846 177.300 0.044 0.000 1.201 134 P CA 0.244 63.209 63.100 -0.225 0.000 0.775 134 P CB 0.457 31.916 31.700 -0.403 0.000 0.854 135 T N -3.242 111.350 114.554 0.063 0.000 2.804 135 T HA 0.317 4.667 4.350 0.000 0.000 0.290 135 T C 1.208 175.993 174.700 0.142 0.000 1.099 135 T CA 0.053 62.218 62.100 0.109 0.000 1.011 135 T CB 0.690 69.594 68.868 0.060 0.000 1.291 135 T HN 0.231 nan 8.240 nan 0.000 0.523 136 S N 0.091 115.855 115.700 0.107 0.000 2.440 136 S HA -0.060 4.410 4.470 0.000 0.000 0.238 136 S C 2.149 176.799 174.600 0.084 0.000 1.010 136 S CA 0.869 59.126 58.200 0.095 0.000 0.972 136 S CB -1.088 62.141 63.200 0.049 0.000 0.774 136 S HN 1.129 nan 8.310 nan 0.000 0.501 137 A N 1.131 123.987 122.820 0.059 0.000 2.119 137 A HA 0.243 4.563 4.320 0.000 0.000 0.216 137 A C 1.249 178.847 177.584 0.024 0.000 1.152 137 A CA 0.607 52.665 52.037 0.035 0.000 0.708 137 A CB -0.634 18.376 19.000 0.016 0.000 0.805 137 A HN 0.492 nan 8.150 nan 0.000 0.460 138 T N 0.888 115.460 114.554 0.029 0.000 2.910 138 T HA 0.472 4.823 4.350 0.000 0.000 0.293 138 T C -0.253 174.458 174.700 0.018 0.000 1.015 138 T CA 0.239 62.307 62.100 -0.053 0.000 1.094 138 T CB 1.220 69.977 68.868 -0.184 0.000 0.968 138 T HN 0.139 nan 8.240 nan 0.000 0.521 139 T N 2.634 117.141 114.554 -0.078 0.000 2.928 139 T HA 0.498 4.848 4.350 0.000 0.000 0.296 139 T C -0.866 173.797 174.700 -0.063 0.000 1.000 139 T CA -0.468 61.660 62.100 0.046 0.000 0.989 139 T CB 0.492 69.402 68.868 0.070 0.000 1.005 139 T HN 0.338 nan 8.240 nan 0.000 0.442 140 F N 3.059 123.105 119.950 0.161 0.000 2.385 140 F HA 0.490 5.017 4.527 0.000 0.000 0.336 140 F C 1.044 177.047 175.800 0.337 0.000 1.100 140 F CA -0.614 57.521 58.000 0.226 0.000 1.116 140 F CB 1.133 40.304 39.000 0.285 0.000 1.166 140 F HN 0.381 nan 8.300 nan 0.000 0.511 141 N N 3.444 122.371 118.700 0.379 0.000 2.272 141 N HA 0.414 5.154 4.740 0.000 0.000 0.305 141 N C -2.941 172.507 175.510 -0.103 0.000 1.103 141 N CA -1.480 51.676 53.050 0.176 0.000 0.791 141 N CB 2.321 40.823 38.487 0.026 0.000 1.356 141 N HN 0.187 nan 8.380 nan 0.000 0.486 142 P HA 0.258 nan 4.420 nan 0.000 0.281 142 P C -0.795 176.057 177.300 -0.747 0.000 1.249 142 P CA -0.381 62.063 63.100 -1.093 0.000 0.810 142 P CB 1.385 32.192 31.700 -1.489 0.000 1.008 143 V N 2.917 122.289 119.914 -0.903 0.000 2.380 143 V HA 0.204 4.324 4.120 0.000 0.000 0.286 143 V C 0.260 175.977 176.094 -0.627 0.000 1.015 143 V CA -0.682 61.167 62.300 -0.751 0.000 0.834 143 V CB 0.663 31.835 31.823 -1.085 0.000 1.009 143 V HN 0.506 nan 8.190 nan 0.000 0.428 144 N N 2.620 121.081 118.700 -0.399 0.000 2.371 144 N HA 0.254 4.994 4.740 0.000 0.000 0.243 144 N C -0.499 174.942 175.510 -0.115 0.000 1.287 144 N CA 0.095 53.021 53.050 -0.206 0.000 0.911 144 N CB 0.365 38.809 38.487 -0.071 0.000 1.142 144 N HN 0.520 nan 8.380 nan 0.000 0.451 145 Y N 0.150 120.503 120.300 0.089 0.000 2.316 145 Y HA 0.281 4.831 4.550 0.000 0.000 0.324 145 Y C -1.463 174.508 175.900 0.119 0.000 1.267 145 Y CA -1.721 56.449 58.100 0.117 0.000 1.311 145 Y CB 0.501 39.055 38.460 0.156 0.000 1.267 145 Y HN 0.431 nan 8.280 nan 0.000 0.516 146 P HA 0.026 nan 4.420 nan 0.000 0.265 146 P C 0.304 177.700 177.300 0.161 0.000 1.187 146 P CA 1.456 64.659 63.100 0.173 0.000 0.766 146 P CB 0.351 32.133 31.700 0.136 0.000 0.820 147 G N 1.922 110.797 108.800 0.125 0.000 2.147 147 G HA2 -0.346 3.615 3.960 0.000 0.000 0.244 147 G HA3 -0.346 3.615 3.960 0.000 0.000 0.244 147 G C 0.634 175.583 174.900 0.081 0.000 1.005 147 G CA 0.176 45.323 45.100 0.078 0.000 0.713 147 G HN 0.530 nan 8.290 nan 0.000 0.515 148 F N 1.946 121.933 119.950 0.063 0.000 2.091 148 F HA -0.177 4.350 4.527 0.000 0.000 0.299 148 F C 2.860 178.701 175.800 0.068 0.000 1.103 148 F CA 3.174 61.251 58.000 0.129 0.000 1.228 148 F CB -0.273 38.823 39.000 0.160 0.000 0.984 148 F HN 0.343 nan 8.300 nan 0.000 0.477 149 T N -2.342 112.410 114.554 0.329 0.000 2.962 149 T HA -0.127 4.223 4.350 0.000 0.000 0.270 149 T C 1.831 176.521 174.700 -0.017 0.000 1.088 149 T CA 0.998 63.217 62.100 0.198 0.000 1.127 149 T CB -0.945 68.037 68.868 0.190 0.000 0.883 149 T HN 0.387 nan 8.240 nan 0.000 0.493 150 S N -0.090 115.562 115.700 -0.080 0.000 2.603 150 S HA 0.281 4.751 4.470 0.000 0.000 0.220 150 S C 1.735 176.161 174.600 -0.291 0.000 0.967 150 S CA -0.221 57.900 58.200 -0.132 0.000 0.920 150 S CB -0.264 62.887 63.200 -0.081 0.000 0.773 150 S HN 0.262 nan 8.310 nan 0.000 0.529 151 M N -0.038 119.239 119.600 -0.538 0.000 2.800 151 M HA 0.400 4.880 4.480 0.000 0.000 0.257 151 M C 0.354 175.966 176.300 -1.146 0.000 1.309 151 M CA 0.917 55.600 55.300 -1.028 0.000 1.202 151 M CB -0.426 31.180 32.600 -1.656 0.000 1.273 151 M HN 0.400 nan 8.290 nan 0.000 0.528 152 F N 0.378 120.089 119.950 -0.399 0.000 2.683 152 F HA 0.460 4.987 4.527 0.000 0.000 0.306 152 F C 1.294 177.029 175.800 -0.108 0.000 1.102 152 F CA -0.015 57.784 58.000 -0.335 0.000 1.244 152 F CB 0.082 38.683 39.000 -0.664 0.000 1.029 152 F HN 0.300 nan 8.300 nan 0.000 0.545 153 G N 1.321 110.142 108.800 0.036 0.000 2.750 153 G HA2 -0.261 3.699 3.960 0.000 0.000 0.228 153 G HA3 -0.261 3.699 3.960 0.000 0.000 0.228 153 G C 0.557 175.563 174.900 0.177 0.000 1.367 153 G CA 0.020 45.176 45.100 0.093 0.000 0.871 153 G HN 0.362 nan 8.290 nan 0.000 0.560 154 T N -3.014 111.619 114.554 0.133 0.000 3.085 154 T HA 0.557 4.907 4.350 0.000 0.000 0.264 154 T C 0.797 175.565 174.700 0.115 0.000 1.019 154 T CA 1.291 63.470 62.100 0.132 0.000 0.910 154 T CB 0.205 69.126 68.868 0.089 0.000 1.059 154 T HN 2.027 nan 8.240 nan 0.000 0.542 155 T N -1.000 113.625 114.554 0.119 0.000 2.900 155 T HA 0.488 4.838 4.350 0.000 0.000 0.295 155 T C 1.184 175.955 174.700 0.118 0.000 1.044 155 T CA 0.076 62.236 62.100 0.099 0.000 0.995 155 T CB 1.906 70.818 68.868 0.074 0.000 1.072 155 T HN 0.049 nan 8.240 nan 0.000 0.473 156 S N 1.006 116.770 115.700 0.107 0.000 2.528 156 S HA -0.063 4.407 4.470 0.000 0.000 0.244 156 S C 1.326 175.989 174.600 0.106 0.000 0.982 156 S CA 1.157 59.426 58.200 0.115 0.000 0.953 156 S CB -1.114 62.145 63.200 0.099 0.000 0.754 156 S HN 1.141 nan 8.310 nan 0.000 0.529 157 T N -1.398 113.211 114.554 0.092 0.000 3.228 157 T HA 0.396 4.746 4.350 0.000 0.000 0.278 157 T C 0.575 175.324 174.700 0.081 0.000 1.014 157 T CA 0.024 62.174 62.100 0.082 0.000 0.904 157 T CB 0.067 68.974 68.868 0.066 0.000 1.110 157 T HN 0.393 nan 8.240 nan 0.000 0.541 158 S N 0.111 115.868 115.700 0.095 0.000 2.754 158 S HA 0.325 4.795 4.470 0.000 0.000 0.247 158 S C 1.539 176.207 174.600 0.113 0.000 1.031 158 S CA -0.900 57.353 58.200 0.088 0.000 1.014 158 S CB 0.173 63.418 63.200 0.076 0.000 0.918 158 S HN 0.134 nan 8.310 nan 0.000 0.519 159 R N 2.540 123.121 120.500 0.134 0.000 2.092 159 R HA 0.032 4.373 4.340 0.000 0.000 0.231 159 R C 1.913 178.327 176.300 0.190 0.000 1.119 159 R CA 1.536 57.742 56.100 0.177 0.000 0.970 159 R CB -1.336 29.032 30.300 0.114 0.000 0.864 159 R HN 0.660 nan 8.270 nan 0.000 0.440 160 S N 0.657 116.434 115.700 0.129 0.000 2.685 160 S HA 0.077 4.547 4.470 0.000 0.000 0.240 160 S C 0.481 175.124 174.600 0.070 0.000 0.967 160 S CA -0.257 58.011 58.200 0.113 0.000 1.009 160 S CB 0.170 63.432 63.200 0.103 0.000 0.776 160 S HN 0.006 nan 8.310 nan 0.000 0.467 161 D N 1.564 121.995 120.400 0.052 0.000 2.183 161 D HA 0.018 4.658 4.640 0.000 0.000 0.205 161 D C 2.014 178.307 176.300 -0.011 0.000 0.962 161 D CA 0.902 54.913 54.000 0.018 0.000 0.849 161 D CB 0.065 40.872 40.800 0.011 0.000 0.978 161 D HN 0.374 nan 8.370 nan 0.000 0.488 162 Q N -0.038 119.734 119.800 -0.046 0.000 2.226 162 Q HA 0.109 4.450 4.340 0.000 0.000 0.199 162 Q C 0.811 176.777 176.000 -0.056 0.000 0.945 162 Q CA 0.419 56.170 55.803 -0.086 0.000 0.861 162 Q CB 0.510 29.129 28.738 -0.198 0.000 0.953 162 Q HN 0.260 nan 8.270 nan 0.000 0.490 163 V N -1.695 118.193 119.914 -0.042 0.000 2.876 163 V HA 0.605 4.725 4.120 0.000 0.000 0.312 163 V C 0.663 176.824 176.094 0.112 0.000 1.085 163 V CA -0.062 62.254 62.300 0.026 0.000 0.945 163 V CB 1.972 33.773 31.823 -0.037 0.000 1.017 163 V HN 0.126 nan 8.190 nan 0.000 0.428 164 S N 1.460 117.235 115.700 0.125 0.000 2.483 164 S HA 0.341 4.811 4.470 0.000 0.000 0.221 164 S C 0.738 175.455 174.600 0.195 0.000 1.030 164 S CA 0.540 58.818 58.200 0.130 0.000 0.925 164 S CB -0.211 63.030 63.200 0.068 0.000 0.795 164 S HN 1.850 nan 8.310 nan 0.000 0.511 165 S N 0.113 115.955 115.700 0.237 0.000 2.656 165 S HA 0.815 5.285 4.470 0.000 0.000 0.273 165 S C -1.028 173.876 174.600 0.507 0.000 1.168 165 S CA -0.977 57.415 58.200 0.321 0.000 0.817 165 S CB 1.272 64.512 63.200 0.067 0.000 1.146 165 S HN 0.930 nan 8.310 nan 0.000 0.475 166 F N -1.594 118.540 119.950 0.307 0.000 2.779 166 F HA 0.892 5.419 4.527 0.000 0.000 0.316 166 F C -1.418 174.466 175.800 0.140 0.000 1.164 166 F CA -1.224 56.904 58.000 0.213 0.000 0.924 166 F CB 1.357 40.333 39.000 -0.041 0.000 1.348 166 F HN 0.978 nan 8.300 nan 0.000 0.467 167 R N 1.058 121.447 120.500 -0.186 0.000 2.536 167 R HA 0.448 4.788 4.340 0.000 0.000 0.269 167 R C -2.505 173.764 176.300 -0.052 0.000 1.113 167 R CA -0.853 55.087 56.100 -0.266 0.000 0.948 167 R CB 1.124 31.081 30.300 -0.572 0.000 1.237 167 R HN 0.826 nan 8.270 nan 0.000 0.441 168 Y N 1.252 121.563 120.300 0.019 0.000 2.309 168 Y HA 0.375 4.925 4.550 0.000 0.000 0.327 168 Y C 1.236 177.194 175.900 0.097 0.000 1.172 168 Y CA 0.665 58.797 58.100 0.054 0.000 1.280 168 Y CB 1.915 40.419 38.460 0.074 0.000 1.234 168 Y HN 0.914 nan 8.280 nan 0.000 0.512 169 A N 1.671 124.622 122.820 0.218 0.000 1.963 169 A HA 0.233 4.553 4.320 0.000 0.000 0.207 169 A C 0.480 178.174 177.584 0.182 0.000 1.243 169 A CA 0.878 53.026 52.037 0.184 0.000 0.728 169 A CB -0.117 18.950 19.000 0.111 0.000 0.895 169 A HN 0.595 nan 8.150 nan 0.000 0.467 170 S N -2.065 113.730 115.700 0.157 0.000 2.625 170 S HA 0.748 5.218 4.470 0.000 0.000 0.271 170 S C -0.893 173.758 174.600 0.084 0.000 1.161 170 S CA -0.525 57.716 58.200 0.067 0.000 0.820 170 S CB 1.401 64.586 63.200 -0.025 0.000 1.137 170 S HN 0.462 nan 8.310 nan 0.000 0.470 171 M N 2.280 121.846 119.600 -0.057 0.000 2.310 171 M HA 0.402 4.883 4.480 0.000 0.000 0.242 171 M C -2.271 173.843 176.300 -0.309 0.000 1.000 171 M CA -0.174 55.052 55.300 -0.124 0.000 0.970 171 M CB 1.319 33.840 32.600 -0.132 0.000 2.191 171 M HN 0.895 nan 8.290 nan 0.000 0.470 172 N N 2.471 120.829 118.700 -0.569 0.000 2.321 172 N HA 0.764 5.504 4.740 0.000 0.000 0.290 172 N C -1.872 173.032 175.510 -1.010 0.000 1.212 172 N CA -0.638 51.891 53.050 -0.869 0.000 0.767 172 N CB 3.325 41.176 38.487 -1.059 0.000 1.494 172 N HN 0.421 nan 8.380 nan 0.000 0.479 173 V N -0.553 118.841 119.914 -0.868 0.000 2.971 173 V HA 0.892 5.012 4.120 0.000 0.000 0.309 173 V C -0.923 174.927 176.094 -0.407 0.000 1.130 173 V CA -0.338 61.625 62.300 -0.561 0.000 0.964 173 V CB 1.984 33.585 31.823 -0.370 0.000 1.029 173 V HN 0.805 nan 8.190 nan 0.000 0.427 174 G N 4.862 113.599 108.800 -0.106 0.000 2.682 174 G HA2 0.730 4.690 3.960 0.000 0.000 0.300 174 G HA3 0.730 4.690 3.960 0.000 0.000 0.300 174 G C -1.693 172.983 174.900 -0.373 0.000 1.391 174 G CA -0.571 44.451 45.100 -0.129 0.000 0.990 174 G HN 0.784 nan 8.290 nan 0.000 0.501 175 I N 1.377 121.614 120.570 -0.555 0.000 2.439 175 I HA 0.273 4.444 4.170 0.000 0.000 0.285 175 I C -1.303 174.501 176.117 -0.522 0.000 1.021 175 I CA -0.754 60.321 61.300 -0.374 0.000 1.091 175 I CB 1.933 39.816 38.000 -0.195 0.000 1.242 175 I HN 0.393 nan 8.210 nan 0.000 0.439 176 Y N 6.674 126.981 120.300 0.011 0.000 2.478 176 Y HA 0.395 4.945 4.550 0.000 0.000 0.329 176 Y C -2.322 173.550 175.900 -0.046 0.000 0.967 176 Y CA -3.151 54.932 58.100 -0.027 0.000 1.255 176 Y CB 0.664 39.133 38.460 0.015 0.000 1.103 176 Y HN 0.354 nan 8.280 nan 0.000 0.497 177 P HA 0.001 nan 4.420 nan 0.000 0.265 177 P C 0.706 178.064 177.300 0.096 0.000 1.193 177 P CA 0.306 63.377 63.100 -0.047 0.000 0.765 177 P CB 0.747 32.276 31.700 -0.285 0.000 0.823 178 T N -2.186 112.475 114.554 0.179 0.000 3.145 178 T HA 0.217 4.567 4.350 0.000 0.000 0.281 178 T C 0.422 175.222 174.700 0.167 0.000 1.003 178 T CA -0.226 61.962 62.100 0.146 0.000 0.901 178 T CB -0.300 68.647 68.868 0.131 0.000 1.112 178 T HN 0.166 nan 8.240 nan 0.000 0.535 179 S N 3.499 119.341 115.700 0.237 0.000 2.601 179 S HA 0.493 4.963 4.470 0.000 0.000 0.271 179 S C 0.375 175.114 174.600 0.231 0.000 1.305 179 S CA -0.823 57.530 58.200 0.256 0.000 1.022 179 S CB 0.583 64.010 63.200 0.379 0.000 0.940 179 S HN 0.822 nan 8.310 nan 0.000 0.525 180 N N 0.657 119.483 118.700 0.209 0.000 2.413 180 N HA 0.210 4.950 4.740 0.000 0.000 0.266 180 N C 0.308 175.992 175.510 0.291 0.000 1.238 180 N CA -0.722 52.441 53.050 0.190 0.000 0.972 180 N CB 0.012 38.572 38.487 0.122 0.000 1.210 180 N HN 0.491 nan 8.380 nan 0.000 0.547 181 L N -1.159 120.214 121.223 0.250 0.000 2.675 181 L HA 0.097 4.437 4.340 0.000 0.000 0.238 181 L C 1.500 178.446 176.870 0.126 0.000 1.155 181 L CA 0.611 55.638 54.840 0.312 0.000 0.881 181 L CB -0.506 41.692 42.059 0.231 0.000 1.008 181 L HN 0.679 nan 8.230 nan 0.000 0.443 182 M N -0.182 119.461 119.600 0.072 0.000 2.306 182 M HA 0.023 4.503 4.480 0.000 0.000 0.292 182 M C 1.290 177.561 176.300 -0.049 0.000 1.018 182 M CA 0.297 55.589 55.300 -0.014 0.000 1.007 182 M CB 0.458 33.065 32.600 0.011 0.000 1.510 182 M HN 0.314 nan 8.290 nan 0.000 0.537 183 Q N -0.046 119.747 119.800 -0.011 0.000 2.171 183 Q HA 0.185 4.525 4.340 0.000 0.000 0.250 183 Q C 0.167 176.152 176.000 -0.026 0.000 0.791 183 Q CA -0.429 55.365 55.803 -0.015 0.000 0.950 183 Q CB -0.103 28.667 28.738 0.053 0.000 1.151 183 Q HN 0.421 nan 8.270 nan 0.000 0.480 184 F N 1.579 121.560 119.950 0.052 0.000 2.375 184 F HA 0.821 5.348 4.527 0.000 0.000 0.313 184 F C -0.198 175.608 175.800 0.011 0.000 1.176 184 F CA -0.450 57.576 58.000 0.043 0.000 1.142 184 F CB 0.836 39.961 39.000 0.208 0.000 1.275 184 F HN 0.058 nan 8.300 nan 0.000 0.544 185 A N 0.692 123.561 122.820 0.082 0.000 2.586 185 A HA 0.659 4.979 4.320 0.000 0.000 0.296 185 A C -0.392 177.236 177.584 0.073 0.000 1.040 185 A CA -0.156 51.882 52.037 0.001 0.000 0.701 185 A CB 0.407 19.328 19.000 -0.132 0.000 1.277 185 A HN 2.648 nan 8.150 nan 0.000 0.413 186 G N -0.222 108.640 108.800 0.103 0.000 2.434 186 G HA2 0.593 4.553 3.960 0.000 0.000 0.671 186 G HA3 0.593 4.553 3.960 0.000 0.000 0.671 186 G C -0.307 174.672 174.900 0.131 0.000 1.280 186 G CA 0.310 45.441 45.100 0.052 0.000 0.975 186 G HN 2.558 nan 8.290 nan 0.000 0.510 187 S N -1.320 114.419 115.700 0.064 0.000 2.599 187 S HA 0.841 5.311 4.470 0.000 0.000 0.287 187 S C -0.576 174.051 174.600 0.045 0.000 1.105 187 S CA -0.923 57.314 58.200 0.062 0.000 0.899 187 S CB 2.327 65.528 63.200 0.002 0.000 1.100 187 S HN 1.006 nan 8.310 nan 0.000 0.482 188 I N 1.708 122.309 120.570 0.052 0.000 2.406 188 I HA 0.433 4.603 4.170 0.000 0.000 0.290 188 I C -0.711 175.475 176.117 0.115 0.000 0.999 188 I CA -0.348 60.986 61.300 0.055 0.000 1.124 188 I CB 2.119 40.167 38.000 0.080 0.000 1.289 188 I HN 0.667 nan 8.210 nan 0.000 0.441 189 T N 5.493 120.124 114.554 0.128 0.000 2.848 189 T HA 0.584 4.934 4.350 0.000 0.000 0.285 189 T C -0.424 174.503 174.700 0.377 0.000 0.995 189 T CA -0.531 61.714 62.100 0.243 0.000 0.970 189 T CB 2.220 71.214 68.868 0.211 0.000 0.976 189 T HN 0.160 nan 8.240 nan 0.000 0.441 190 V N 3.643 123.833 119.914 0.459 0.000 2.735 190 V HA 0.860 4.980 4.120 0.000 0.000 0.310 190 V C -1.034 175.377 176.094 0.528 0.000 1.061 190 V CA -0.961 61.541 62.300 0.338 0.000 0.913 190 V CB 1.646 33.546 31.823 0.128 0.000 1.005 190 V HN 1.058 nan 8.190 nan 0.000 0.428 191 W N 2.754 124.088 121.300 0.058 0.000 3.025 191 W HA 0.791 5.451 4.660 0.000 0.000 0.343 191 W C -1.634 174.909 176.519 0.041 0.000 1.246 191 W CA -1.024 56.356 57.345 0.059 0.000 1.178 191 W CB 1.381 30.890 29.460 0.082 0.000 1.463 191 W HN 0.295 nan 8.180 nan 0.000 0.578 192 K N 1.681 122.208 120.400 0.211 0.000 2.324 192 K HA 0.671 4.991 4.320 0.000 0.000 0.253 192 K C -1.392 175.265 176.600 0.095 0.000 0.932 192 K CA -0.625 55.688 56.287 0.043 0.000 0.799 192 K CB 2.150 34.666 32.500 0.027 0.000 1.154 192 K HN 0.615 nan 8.250 nan 0.000 0.425 193 C N 2.763 122.081 119.300 0.030 0.000 2.417 193 C HA 0.401 4.861 4.460 0.000 0.000 0.324 193 C C -2.056 172.968 174.990 0.056 0.000 1.240 193 C CA -1.496 57.566 59.018 0.074 0.000 1.632 193 C CB 1.499 29.284 27.740 0.075 0.000 2.241 193 C HN 0.606 nan 8.230 nan 0.000 0.499 194 P HA 0.116 nan 4.420 nan 0.000 0.220 194 P C -0.391 176.940 177.300 0.053 0.000 1.806 194 P CA 0.265 63.396 63.100 0.051 0.000 0.976 194 P CB -0.078 31.644 31.700 0.036 0.000 1.952 195 V N 3.492 123.462 119.914 0.092 0.000 2.470 195 V HA 0.126 4.246 4.120 0.000 0.000 0.276 195 V C 0.867 177.020 176.094 0.098 0.000 1.040 195 V CA 0.300 62.636 62.300 0.059 0.000 1.008 195 V CB 0.427 32.335 31.823 0.141 0.000 0.990 195 V HN 0.264 nan 8.190 nan 0.000 0.477 196 K N 4.119 124.438 120.400 -0.134 0.000 2.340 196 K HA 0.578 4.898 4.320 0.000 0.000 0.244 196 K C -0.978 175.295 176.600 -0.546 0.000 0.973 196 K CA -1.121 55.048 56.287 -0.197 0.000 0.828 196 K CB 2.783 35.242 32.500 -0.069 0.000 1.226 196 K HN 0.429 nan 8.250 nan 0.000 0.437 197 L N 1.277 122.153 121.223 -0.578 0.000 2.259 197 L HA 0.242 4.582 4.340 0.000 0.000 0.288 197 L C 0.276 177.018 176.870 -0.214 0.000 1.051 197 L CA 0.467 54.992 54.840 -0.525 0.000 0.824 197 L CB 0.853 42.634 42.059 -0.463 0.000 1.206 197 L HN 0.682 nan 8.230 nan 0.000 0.429 198 S N 2.486 118.085 115.700 -0.167 0.000 3.124 198 S HA 0.813 5.283 4.470 0.000 0.000 0.234 198 S C -0.238 174.367 174.600 0.009 0.000 1.045 198 S CA 0.246 58.409 58.200 -0.061 0.000 1.200 198 S CB 1.014 64.170 63.200 -0.073 0.000 1.186 198 S HN 0.795 nan 8.310 nan 0.000 0.617 199 T N -1.119 113.437 114.554 0.004 0.000 2.894 199 T HA 0.658 5.008 4.350 0.000 0.000 0.309 199 T C -1.312 173.394 174.700 0.011 0.000 1.208 199 T CA -0.650 61.461 62.100 0.017 0.000 1.016 199 T CB 1.043 69.911 68.868 -0.000 0.000 1.192 199 T HN 0.595 nan 8.240 nan 0.000 0.491 200 V N 1.847 121.785 119.914 0.039 0.000 2.680 200 V HA 0.751 4.871 4.120 0.000 0.000 0.309 200 V C -0.945 175.204 176.094 0.093 0.000 1.052 200 V CA -0.672 61.680 62.300 0.087 0.000 0.908 200 V CB 1.718 33.627 31.823 0.144 0.000 1.001 200 V HN 1.213 nan 8.190 nan 0.000 0.431 201 Q N 6.193 126.043 119.800 0.084 0.000 2.333 201 Q HA 0.678 5.018 4.340 0.000 0.000 0.268 201 Q C -1.724 174.328 176.000 0.086 0.000 1.007 201 Q CA -0.631 55.162 55.803 -0.017 0.000 0.810 201 Q CB 1.689 30.407 28.738 -0.034 0.000 1.264 201 Q HN 0.803 nan 8.270 nan 0.000 0.452 202 F N 1.409 121.343 119.950 -0.027 0.000 2.619 202 F HA 0.766 5.293 4.527 0.000 0.000 0.308 202 F C -2.962 172.826 175.800 -0.020 0.000 1.097 202 F CA -2.648 55.339 58.000 -0.023 0.000 0.953 202 F CB 1.192 40.178 39.000 -0.023 0.000 1.287 202 F HN 0.322 nan 8.300 nan 0.000 0.446 203 P HA 0.372 nan 4.420 nan 0.000 0.278 203 P C -1.229 176.159 177.300 0.147 0.000 1.238 203 P CA -0.320 62.814 63.100 0.056 0.000 0.794 203 P CB 2.328 34.060 31.700 0.054 0.000 0.955 204 V N 2.024 121.977 119.914 0.066 0.000 2.588 204 V HA 0.465 4.585 4.120 0.000 0.000 0.304 204 V C 0.640 176.762 176.094 0.046 0.000 1.042 204 V CA -0.934 61.421 62.300 0.093 0.000 0.877 204 V CB 1.675 33.541 31.823 0.070 0.000 0.996 204 V HN 0.659 nan 8.190 nan 0.000 0.425 205 A N 3.446 126.295 122.820 0.048 0.000 3.037 205 A HA 0.542 4.862 4.320 0.000 0.000 0.272 205 A C 0.816 178.413 177.584 0.021 0.000 1.723 205 A CA 0.009 52.063 52.037 0.028 0.000 1.413 205 A CB -0.810 18.206 19.000 0.026 0.000 1.112 205 A HN 0.950 nan 8.150 nan 0.000 0.606 206 T N -1.861 112.702 114.554 0.015 0.000 2.888 206 T HA 0.578 4.928 4.350 0.000 0.000 0.283 206 T C -0.678 174.026 174.700 0.006 0.000 1.013 206 T CA -0.608 61.498 62.100 0.011 0.000 0.938 206 T CB 1.273 70.145 68.868 0.006 0.000 1.298 206 T HN 0.246 nan 8.240 nan 0.000 0.580 207 D N 1.627 122.029 120.400 0.004 0.000 2.505 207 D HA 0.464 5.104 4.640 0.000 0.000 0.250 207 D C -1.963 174.336 176.300 -0.001 0.000 1.164 207 D CA -1.427 52.574 54.000 0.002 0.000 0.870 207 D CB 0.751 41.552 40.800 0.003 0.000 1.160 207 D HN 0.516 nan 8.370 nan 0.000 0.549 208 P HA 0.436 nan 4.420 nan 0.000 0.274 208 P C -0.523 176.774 177.300 -0.005 0.000 1.256 208 P CA -0.694 62.404 63.100 -0.004 0.000 0.795 208 P CB 0.528 32.225 31.700 -0.006 0.000 1.038 209 A N 0.520 123.338 122.820 -0.004 0.000 2.520 209 A HA 0.409 4.730 4.320 0.000 0.000 0.235 209 A C 0.465 178.041 177.584 -0.014 0.000 1.065 209 A CA 0.513 52.547 52.037 -0.004 0.000 0.764 209 A CB -0.389 18.610 19.000 -0.001 0.000 1.002 209 A HN 0.624 nan 8.150 nan 0.000 0.502 210 T N 0.263 114.806 114.554 -0.019 0.000 2.896 210 T HA 0.562 4.912 4.350 0.000 0.000 0.297 210 T C -0.502 174.159 174.700 -0.065 0.000 1.108 210 T CA -0.266 61.810 62.100 -0.039 0.000 1.004 210 T CB 1.510 70.355 68.868 -0.037 0.000 1.159 210 T HN 0.682 nan 8.240 nan 0.000 0.499 211 S N 0.873 116.515 115.700 -0.097 0.000 2.472 211 S HA 0.524 4.994 4.470 0.000 0.000 0.303 211 S C 0.904 175.357 174.600 -0.245 0.000 1.099 211 S CA -0.569 57.538 58.200 -0.154 0.000 1.077 211 S CB 1.598 64.725 63.200 -0.122 0.000 1.031 211 S HN 0.666 nan 8.310 nan 0.000 0.487 212 S N 3.012 118.440 115.700 -0.454 0.000 2.303 212 S HA 0.297 4.767 4.470 0.000 0.000 0.207 212 S C 0.128 174.457 174.600 -0.452 0.000 1.025 212 S CA 0.053 57.898 58.200 -0.591 0.000 0.953 212 S CB -0.313 62.168 63.200 -1.198 0.000 0.932 212 S HN 0.784 nan 8.310 nan 0.000 0.472 213 L N 1.678 122.611 121.223 -0.484 0.000 3.000 213 L HA -0.101 4.239 4.340 0.000 0.000 0.682 213 L C -1.002 175.751 176.870 -0.195 0.000 1.047 213 L CA -0.079 54.614 54.840 -0.245 0.000 1.334 213 L CB -1.141 40.814 42.059 -0.173 0.000 1.859 213 L HN 0.284 nan 8.230 nan 0.000 0.890 214 V N 4.339 124.184 119.914 -0.115 0.000 3.160 214 V HA 0.528 4.648 4.120 0.000 0.000 0.310 214 V C 0.211 176.276 176.094 -0.048 0.000 1.181 214 V CA -0.700 61.535 62.300 -0.109 0.000 1.047 214 V CB 2.319 34.130 31.823 -0.020 0.000 1.068 214 V HN 0.717 nan 8.190 nan 0.000 0.441 215 H N 1.421 120.489 119.070 -0.003 0.000 3.001 215 H HA 0.385 4.941 4.556 0.000 0.000 0.334 215 H C 0.009 175.303 175.328 -0.057 0.000 1.034 215 H CA 1.267 57.295 56.048 -0.034 0.000 1.420 215 H CB 0.704 30.444 29.762 -0.036 0.000 1.405 215 H HN 0.630 nan 8.280 nan 0.000 0.593 216 T N 3.711 118.289 114.554 0.039 0.000 2.971 216 T HA 0.293 4.643 4.350 0.000 0.000 0.304 216 T C -0.686 173.892 174.700 -0.203 0.000 1.038 216 T CA -0.853 61.202 62.100 -0.075 0.000 1.007 216 T CB 0.620 69.455 68.868 -0.054 0.000 1.055 216 T HN 0.369 nan 8.240 nan 0.000 0.451 217 L N 4.379 125.414 121.223 -0.313 0.000 2.360 217 L HA 0.523 4.863 4.340 0.000 0.000 0.276 217 L C 0.101 176.761 176.870 -0.349 0.000 1.121 217 L CA -0.556 53.999 54.840 -0.474 0.000 0.845 217 L CB 1.208 42.909 42.059 -0.597 0.000 1.143 217 L HN 0.343 nan 8.230 nan 0.000 0.452 218 V N 3.338 123.062 119.914 -0.316 0.000 2.459 218 V HA 0.643 4.763 4.120 0.000 0.000 0.295 218 V C 0.724 176.711 176.094 -0.179 0.000 1.029 218 V CA 0.723 62.897 62.300 -0.209 0.000 0.874 218 V CB 1.437 33.166 31.823 -0.158 0.000 0.985 218 V HN 0.979 nan 8.190 nan 0.000 0.438 219 G N 5.054 113.771 108.800 -0.139 0.000 2.157 219 G HA2 -0.192 3.768 3.960 0.000 0.000 0.239 219 G HA3 -0.192 3.768 3.960 0.000 0.000 0.239 219 G C 0.454 175.306 174.900 -0.079 0.000 0.982 219 G CA 0.221 45.269 45.100 -0.086 0.000 0.650 219 G HN 0.645 nan 8.290 nan 0.000 0.527 220 L N 1.359 122.482 121.223 -0.167 0.000 2.362 220 L HA 0.133 4.473 4.340 0.000 0.000 0.219 220 L C 2.144 178.983 176.870 -0.051 0.000 1.134 220 L CA 1.907 56.636 54.840 -0.185 0.000 0.807 220 L CB -0.548 41.196 42.059 -0.524 0.000 0.927 220 L HN 0.313 nan 8.230 nan 0.000 0.447 221 D N -0.611 119.754 120.400 -0.058 0.000 2.265 221 D HA -0.137 4.503 4.640 0.000 0.000 0.208 221 D C 1.945 178.300 176.300 0.092 0.000 0.977 221 D CA 1.225 55.231 54.000 0.010 0.000 0.871 221 D CB 0.104 40.887 40.800 -0.028 0.000 0.925 221 D HN 0.446 nan 8.370 nan 0.000 0.485 222 G N 0.475 109.346 108.800 0.118 0.000 2.509 222 G HA2 -0.123 3.837 3.960 0.000 0.000 0.218 222 G HA3 -0.123 3.837 3.960 0.000 0.000 0.218 222 G C 1.699 176.844 174.900 0.409 0.000 1.124 222 G CA 0.084 45.312 45.100 0.213 0.000 0.776 222 G HN 0.225 nan 8.290 nan 0.000 0.547 223 V N 0.958 121.103 119.914 0.384 0.000 3.217 223 V HA 0.080 4.200 4.120 0.000 0.000 0.264 223 V C 2.182 178.665 176.094 0.648 0.000 1.135 223 V CA 0.646 63.262 62.300 0.527 0.000 1.142 223 V CB -0.162 31.914 31.823 0.420 0.000 0.754 223 V HN 0.368 nan 8.190 nan 0.000 0.484 224 L N 0.128 121.560 121.223 0.348 0.000 2.612 224 L HA 0.453 4.793 4.340 0.000 0.000 0.230 224 L C 0.632 177.106 176.870 -0.660 0.000 1.140 224 L CA 0.394 55.246 54.840 0.019 0.000 0.896 224 L CB -0.384 41.674 42.059 -0.001 0.000 1.065 224 L HN 0.382 nan 8.230 nan 0.000 0.447 225 A N -0.339 122.303 122.820 -0.297 0.000 2.566 225 A HA 0.556 4.876 4.320 0.000 0.000 0.297 225 A C -0.889 176.473 177.584 -0.370 0.000 1.059 225 A CA -0.376 51.370 52.037 -0.486 0.000 0.691 225 A CB 1.573 20.384 19.000 -0.315 0.000 1.282 225 A HN -0.179 nan 8.150 nan 0.000 0.401 226 V N 2.536 122.145 119.914 -0.509 0.000 2.405 226 V HA 0.453 4.573 4.120 0.000 0.000 0.264 226 V C 1.325 177.006 176.094 -0.689 0.000 1.048 226 V CA 0.478 62.089 62.300 -1.150 0.000 0.966 226 V CB 0.595 31.956 31.823 -0.771 0.000 1.015 226 V HN 1.172 nan 8.190 nan 0.000 0.477 227 G N 6.061 114.438 108.800 -0.706 0.000 2.614 227 G HA2 0.228 4.188 3.960 0.000 0.000 0.239 227 G HA3 0.228 4.188 3.960 0.000 0.000 0.239 227 G C -1.325 173.475 174.900 -0.167 0.000 1.240 227 G CA -0.788 44.152 45.100 -0.266 0.000 0.842 227 G HN 0.630 nan 8.290 nan 0.000 0.584 228 P HA -0.042 nan 4.420 nan 0.000 0.220 228 P C 0.076 177.364 177.300 -0.020 0.000 1.144 228 P CA 0.990 64.058 63.100 -0.054 0.000 0.800 228 P CB 0.274 31.953 31.700 -0.035 0.000 0.772 229 D N 0.242 120.649 120.400 0.011 0.000 2.479 229 D HA 0.208 4.848 4.640 0.000 0.000 0.218 229 D C 0.076 176.438 176.300 0.103 0.000 1.131 229 D CA -0.162 53.871 54.000 0.055 0.000 0.916 229 D CB -0.481 40.362 40.800 0.071 0.000 1.022 229 D HN 0.307 nan 8.370 nan 0.000 0.515 230 N N -0.042 118.715 118.700 0.095 0.000 2.853 230 N HA 0.533 5.273 4.740 0.000 0.000 0.258 230 N C -1.662 173.963 175.510 0.192 0.000 1.444 230 N CA -1.026 52.124 53.050 0.167 0.000 0.837 230 N CB 1.181 39.726 38.487 0.097 0.000 1.489 230 N HN 0.083 nan 8.380 nan 0.000 0.529 231 F N -0.042 119.957 119.950 0.083 0.000 2.482 231 F HA 0.767 5.294 4.527 0.000 0.000 0.331 231 F C -0.869 174.960 175.800 0.049 0.000 1.115 231 F CA -0.366 57.663 58.000 0.048 0.000 0.955 231 F CB 1.930 40.952 39.000 0.036 0.000 1.136 231 F HN 0.561 nan 8.300 nan 0.000 0.452 232 S N 4.431 119.717 115.700 -0.690 0.000 2.668 232 S HA 0.573 5.043 4.470 0.000 0.000 0.277 232 S C -1.512 172.702 174.600 -0.644 0.000 1.170 232 S CA -0.343 57.581 58.200 -0.460 0.000 0.994 232 S CB 1.092 64.165 63.200 -0.213 0.000 1.051 232 S HN 0.832 nan 8.310 nan 0.000 0.484 233 E N 1.431 121.345 120.200 -0.478 0.000 2.437 233 E HA 0.496 4.846 4.350 0.000 0.000 0.280 233 E C -0.921 175.623 176.600 -0.093 0.000 1.044 233 E CA -0.511 55.696 56.400 -0.322 0.000 0.826 233 E CB 1.792 31.202 29.700 -0.483 0.000 1.358 233 E HN 0.423 nan 8.360 nan 0.000 0.459 234 S N 1.543 117.221 115.700 -0.036 0.000 2.552 234 S HA 0.012 4.482 4.470 0.000 0.000 0.289 234 S C 1.070 175.695 174.600 0.042 0.000 1.304 234 S CA 0.158 58.390 58.200 0.053 0.000 1.063 234 S CB -0.119 63.131 63.200 0.084 0.000 0.848 234 S HN 0.548 nan 8.310 nan 0.000 0.499 235 F N 5.128 125.069 119.950 -0.016 0.000 2.115 235 F HA -0.187 4.340 4.527 0.000 0.000 0.300 235 F C 1.700 177.410 175.800 -0.150 0.000 1.092 235 F CA 2.118 60.086 58.000 -0.053 0.000 1.245 235 F CB -0.436 38.575 39.000 0.018 0.000 0.995 235 F HN 0.715 nan 8.300 nan 0.000 0.481 236 I N 0.672 121.041 120.570 -0.334 0.000 2.700 236 I HA -0.245 3.925 4.170 0.000 0.000 0.261 236 I C 1.931 177.806 176.117 -0.403 0.000 1.219 236 I CA 1.524 62.437 61.300 -0.645 0.000 1.463 236 I CB -0.603 36.516 38.000 -1.469 0.000 1.092 236 I HN 0.101 nan 8.210 nan 0.000 0.452 237 K N 0.635 120.879 120.400 -0.259 0.000 2.459 237 K HA 0.246 4.567 4.320 0.000 0.000 0.193 237 K C 1.136 177.675 176.600 -0.102 0.000 1.030 237 K CA 0.509 56.720 56.287 -0.126 0.000 1.026 237 K CB -0.251 32.232 32.500 -0.027 0.000 0.809 237 K HN 0.500 nan 8.250 nan 0.000 0.504 238 G N 0.988 109.651 108.800 -0.228 0.000 2.692 238 G HA2 -0.269 3.691 3.960 0.000 0.000 0.248 238 G HA3 -0.269 3.691 3.960 0.000 0.000 0.248 238 G C -0.782 174.043 174.900 -0.125 0.000 1.340 238 G CA -0.279 44.676 45.100 -0.242 0.000 0.896 238 G HN 0.231 nan 8.290 nan 0.000 0.570 239 V N -0.810 118.976 119.914 -0.214 0.000 3.177 239 V HA 0.725 4.846 4.120 0.000 0.000 0.287 239 V C -1.779 174.180 176.094 -0.225 0.000 1.465 239 V CA -0.089 62.040 62.300 -0.285 0.000 1.020 239 V CB 2.006 33.614 31.823 -0.358 0.000 1.152 239 V HN 2.001 nan 8.190 nan 0.000 0.448 240 F N 4.204 123.923 119.950 -0.385 0.000 2.574 240 F HA 0.877 5.404 4.527 0.000 0.000 0.313 240 F C -0.523 175.120 175.800 -0.262 0.000 1.130 240 F CA 0.304 58.157 58.000 -0.245 0.000 0.936 240 F CB 2.109 41.055 39.000 -0.091 0.000 1.219 240 F HN 0.666 nan 8.300 nan 0.000 0.445 241 S N 3.729 118.756 115.700 -1.122 0.000 2.579 241 S HA 0.807 5.277 4.470 0.000 0.000 0.272 241 S C -1.747 172.362 174.600 -0.818 0.000 1.141 241 S CA -0.487 57.247 58.200 -0.775 0.000 0.843 241 S CB 1.792 64.707 63.200 -0.476 0.000 1.122 241 S HN 0.700 nan 8.310 nan 0.000 0.468 242 Q N 0.705 120.231 119.800 -0.456 0.000 2.495 242 Q HA 0.745 5.086 4.340 0.000 0.000 0.287 242 Q C -1.074 174.815 176.000 -0.185 0.000 1.078 242 Q CA -0.734 54.880 55.803 -0.315 0.000 0.793 242 Q CB 1.932 30.598 28.738 -0.120 0.000 1.459 242 Q HN 0.522 nan 8.270 nan 0.000 0.422 243 S N -0.502 115.104 115.700 -0.156 0.000 2.715 243 S HA 0.959 5.429 4.470 0.000 0.000 0.307 243 S C -1.546 173.026 174.600 -0.045 0.000 1.119 243 S CA 0.005 58.142 58.200 -0.105 0.000 0.937 243 S CB 1.278 64.393 63.200 -0.142 0.000 1.150 243 S HN 0.761 nan 8.310 nan 0.000 0.521 244 A N 0.393 123.207 122.820 -0.009 0.000 2.594 244 A HA 0.623 4.943 4.320 0.000 0.000 0.291 244 A C -0.349 177.289 177.584 0.089 0.000 1.105 244 A CA -0.591 51.495 52.037 0.082 0.000 0.694 244 A CB 0.482 19.489 19.000 0.011 0.000 1.291 244 A HN 1.142 nan 8.150 nan 0.000 0.410 245 C N 1.814 121.236 119.300 0.203 0.000 2.523 245 C HA 0.142 4.602 4.460 0.000 0.000 0.406 245 C C 1.323 176.281 174.990 -0.053 0.000 1.449 245 C CA 0.608 59.621 59.018 -0.007 0.000 1.588 245 C CB -1.487 26.064 27.740 -0.316 0.000 2.514 245 C HN 0.770 nan 8.230 nan 0.000 0.606 246 N N 2.604 121.261 118.700 -0.072 0.000 2.327 246 N HA 0.173 4.913 4.740 0.000 0.000 0.231 246 N C -0.396 175.077 175.510 -0.063 0.000 1.130 246 N CA -0.311 52.710 53.050 -0.048 0.000 0.845 246 N CB 0.459 38.934 38.487 -0.021 0.000 1.073 246 N HN 0.702 nan 8.380 nan 0.000 0.496 247 E N 1.110 121.239 120.200 -0.119 0.000 2.369 247 E HA 0.338 4.688 4.350 0.000 0.000 0.270 247 E C -2.000 174.512 176.600 -0.147 0.000 0.909 247 E CA -2.283 54.044 56.400 -0.123 0.000 0.775 247 E CB 2.195 31.805 29.700 -0.150 0.000 1.270 247 E HN -0.124 nan 8.360 nan 0.000 0.445 248 P HA 0.030 nan 4.420 nan 0.000 0.234 248 P C -0.729 176.513 177.300 -0.097 0.000 1.167 248 P CA 0.836 63.896 63.100 -0.067 0.000 0.763 248 P CB 0.285 31.968 31.700 -0.028 0.000 0.835 249 D N -1.219 119.071 120.400 -0.183 0.000 2.639 249 D HA 0.110 4.750 4.640 0.000 0.000 0.271 249 D C -1.235 174.876 176.300 -0.316 0.000 1.254 249 D CA -0.884 53.012 54.000 -0.173 0.000 0.810 249 D CB -0.072 40.712 40.800 -0.027 0.000 1.351 249 D HN -0.223 nan 8.370 nan 0.000 0.427 250 F N 0.770 120.634 119.950 -0.143 0.000 2.541 250 F HA 0.278 4.805 4.527 0.000 0.000 0.351 250 F C 1.134 176.735 175.800 -0.332 0.000 1.209 250 F CA -0.521 57.340 58.000 -0.230 0.000 1.277 250 F CB 0.238 39.065 39.000 -0.288 0.000 1.632 250 F HN 0.193 nan 8.300 nan 0.000 0.619 251 E N 1.358 121.454 120.200 -0.174 0.000 2.366 251 E HA 0.287 4.637 4.350 0.000 0.000 0.266 251 E C -0.627 175.787 176.600 -0.310 0.000 1.051 251 E CA -0.496 55.784 56.400 -0.200 0.000 0.884 251 E CB 0.829 30.466 29.700 -0.104 0.000 1.006 251 E HN 0.252 nan 8.360 nan 0.000 0.417 252 F N 2.245 122.058 119.950 -0.228 0.000 2.429 252 F HA 0.198 4.725 4.527 0.000 0.000 0.348 252 F C 0.815 176.435 175.800 -0.300 0.000 1.109 252 F CA 0.111 57.929 58.000 -0.303 0.000 1.232 252 F CB 0.794 39.613 39.000 -0.302 0.000 1.157 252 F HN 0.407 nan 8.300 nan 0.000 0.564 253 N N 1.553 120.090 118.700 -0.272 0.000 2.370 253 N HA 0.221 4.961 4.740 0.000 0.000 0.303 253 N C -1.622 173.815 175.510 -0.121 0.000 1.103 253 N CA -1.063 51.807 53.050 -0.300 0.000 0.848 253 N CB 1.240 39.395 38.487 -0.553 0.000 1.235 253 N HN 0.469 nan 8.380 nan 0.000 0.496 254 D N 1.324 121.774 120.400 0.084 0.000 2.302 254 D HA 0.180 4.820 4.640 0.000 0.000 0.248 254 D C 0.347 176.859 176.300 0.354 0.000 1.094 254 D CA -0.062 54.053 54.000 0.192 0.000 0.897 254 D CB 1.142 42.027 40.800 0.141 0.000 1.200 254 D HN 0.250 nan 8.370 nan 0.000 0.429 255 I N 1.993 122.766 120.570 0.338 0.000 2.648 255 I HA -0.052 4.118 4.170 0.000 0.000 0.284 255 I C 0.207 176.446 176.117 0.203 0.000 1.153 255 I CA -0.276 61.202 61.300 0.296 0.000 1.426 255 I CB 0.345 38.487 38.000 0.237 0.000 1.381 255 I HN 0.111 nan 8.210 nan 0.000 0.571 256 L N 6.605 127.928 121.223 0.166 0.000 2.292 256 L HA 0.270 4.610 4.340 0.000 0.000 0.284 256 L C 0.205 177.147 176.870 0.120 0.000 1.065 256 L CA -0.290 54.635 54.840 0.142 0.000 0.806 256 L CB 0.724 42.849 42.059 0.111 0.000 1.175 256 L HN 0.472 nan 8.230 nan 0.000 0.431 257 E N 1.162 121.441 120.200 0.133 0.000 2.191 257 E HA 0.573 4.923 4.350 0.000 0.000 0.278 257 E C 0.777 177.451 176.600 0.123 0.000 0.972 257 E CA 0.481 56.951 56.400 0.117 0.000 0.804 257 E CB 1.248 31.010 29.700 0.103 0.000 1.110 257 E HN 0.666 nan 8.360 nan 0.000 0.394 258 G N 3.682 112.550 108.800 0.114 0.000 2.162 258 G HA2 -0.276 3.685 3.960 0.000 0.000 0.260 258 G HA3 -0.276 3.685 3.960 0.000 0.000 0.260 258 G C 0.206 175.180 174.900 0.122 0.000 0.976 258 G CA 0.286 45.452 45.100 0.110 0.000 0.655 258 G HN 0.480 nan 8.290 nan 0.000 0.533 259 I N 0.852 121.503 120.570 0.134 0.000 2.379 259 I HA 0.215 4.385 4.170 0.000 0.000 0.290 259 I C 1.206 177.404 176.117 0.135 0.000 1.063 259 I CA -0.303 61.080 61.300 0.137 0.000 1.351 259 I CB 1.228 39.303 38.000 0.125 0.000 1.410 259 I HN 0.007 nan 8.210 nan 0.000 0.505 260 Q N 3.739 123.613 119.800 0.124 0.000 2.391 260 Q HA 0.159 4.499 4.340 0.000 0.000 0.243 260 Q C 0.348 176.430 176.000 0.137 0.000 0.874 260 Q CA 0.587 56.465 55.803 0.125 0.000 0.950 260 Q CB 1.220 30.016 28.738 0.098 0.000 1.103 260 Q HN 0.825 nan 8.270 nan 0.000 0.544 261 T N -1.949 112.675 114.554 0.117 0.000 2.894 261 T HA 0.732 5.082 4.350 0.000 0.000 0.309 261 T C -0.747 173.998 174.700 0.076 0.000 1.208 261 T CA -0.714 61.452 62.100 0.109 0.000 1.016 261 T CB 1.451 70.378 68.868 0.098 0.000 1.192 261 T HN -0.021 nan 8.240 nan 0.000 0.491 262 L N 2.363 123.612 121.223 0.044 0.000 2.446 262 L HA 0.481 4.821 4.340 0.000 0.000 0.268 262 L C -2.527 174.339 176.870 -0.006 0.000 0.975 262 L CA -2.314 52.524 54.840 -0.002 0.000 0.848 262 L CB 2.629 44.640 42.059 -0.080 0.000 1.225 262 L HN 0.473 nan 8.230 nan 0.000 0.410 263 P HA 0.138 nan 4.420 nan 0.000 0.269 263 P C -2.594 174.733 177.300 0.045 0.000 1.209 263 P CA -1.122 61.987 63.100 0.015 0.000 0.776 263 P CB -0.075 31.625 31.700 0.000 0.000 0.876 264 P HA 0.060 nan 4.420 nan 0.000 0.272 264 P C -0.303 177.035 177.300 0.064 0.000 1.240 264 P CA -0.192 62.952 63.100 0.073 0.000 0.791 264 P CB 0.332 32.082 31.700 0.083 0.000 0.978 265 A N 1.910 124.767 122.820 0.062 0.000 2.540 265 A HA 0.089 4.410 4.320 0.000 0.000 0.239 265 A C 0.832 178.448 177.584 0.054 0.000 1.061 265 A CA 0.276 52.344 52.037 0.053 0.000 0.758 265 A CB -1.137 17.893 19.000 0.050 0.000 0.991 265 A HN 0.713 nan 8.150 nan 0.000 0.502 266 N N -0.966 117.763 118.700 0.048 0.000 2.925 266 N HA -0.143 4.597 4.740 0.000 0.000 0.244 266 N C -0.568 174.982 175.510 0.066 0.000 1.000 266 N CA 1.263 54.343 53.050 0.051 0.000 0.895 266 N CB -1.838 36.681 38.487 0.054 0.000 1.119 266 N HN 0.556 nan 8.380 nan 0.000 0.569 267 V N 0.782 120.731 119.914 0.058 0.000 2.604 267 V HA 0.629 4.749 4.120 0.000 0.000 0.305 267 V C 0.591 176.675 176.094 -0.017 0.000 1.043 267 V CA -0.719 61.610 62.300 0.048 0.000 0.888 267 V CB 2.094 33.975 31.823 0.096 0.000 0.995 267 V HN 0.325 nan 8.190 nan 0.000 0.429 268 S N 3.669 119.319 115.700 -0.084 0.000 2.610 268 S HA 0.420 4.890 4.470 0.000 0.000 0.273 268 S C 0.832 175.373 174.600 -0.098 0.000 1.274 268 S CA -0.522 57.630 58.200 -0.081 0.000 1.023 268 S CB 1.474 64.617 63.200 -0.096 0.000 0.962 268 S HN 0.611 nan 8.310 nan 0.000 0.523 269 L N 3.223 124.409 121.223 -0.061 0.000 2.021 269 L HA 0.029 4.370 4.340 0.000 0.000 0.215 269 L C 2.420 179.233 176.870 -0.096 0.000 1.074 269 L CA 2.614 57.417 54.840 -0.061 0.000 0.760 269 L CB -1.474 40.568 42.059 -0.029 0.000 0.889 269 L HN 1.020 nan 8.230 nan 0.000 0.433 270 G N -1.540 107.200 108.800 -0.101 0.000 2.469 270 G HA2 -0.336 3.624 3.960 0.000 0.000 0.219 270 G HA3 -0.336 3.624 3.960 0.000 0.000 0.219 270 G C 1.531 176.326 174.900 -0.175 0.000 1.150 270 G CA 1.149 46.178 45.100 -0.118 0.000 0.763 270 G HN 0.601 nan 8.290 nan 0.000 0.561 271 S N 0.239 115.774 115.700 -0.275 0.000 2.515 271 S HA -0.063 4.407 4.470 0.000 0.000 0.231 271 S C 2.124 176.540 174.600 -0.307 0.000 0.987 271 S CA 1.707 59.638 58.200 -0.448 0.000 0.936 271 S CB -0.370 62.236 63.200 -0.990 0.000 0.766 271 S HN 0.572 nan 8.310 nan 0.000 0.528 272 T N -3.042 111.403 114.554 -0.182 0.000 3.051 272 T HA 0.487 4.837 4.350 0.000 0.000 0.255 272 T C 1.781 176.425 174.700 -0.094 0.000 1.085 272 T CA 0.832 62.874 62.100 -0.096 0.000 1.109 272 T CB -0.311 68.510 68.868 -0.079 0.000 0.921 272 T HN 1.020 nan 8.240 nan 0.000 0.488 273 G N 1.118 109.854 108.800 -0.107 0.000 2.217 273 G HA2 -0.250 3.710 3.960 0.000 0.000 0.246 273 G HA3 -0.250 3.710 3.960 0.000 0.000 0.246 273 G C -0.015 174.805 174.900 -0.134 0.000 0.990 273 G CA 0.073 45.112 45.100 -0.103 0.000 0.627 273 G HN 0.696 nan 8.290 nan 0.000 0.522 274 Q N 0.786 120.487 119.800 -0.165 0.000 2.392 274 Q HA 0.329 4.669 4.340 0.000 0.000 0.262 274 Q C -1.199 174.667 176.000 -0.222 0.000 1.003 274 Q CA -0.821 54.830 55.803 -0.253 0.000 0.888 274 Q CB 1.405 29.968 28.738 -0.291 0.000 1.260 274 Q HN 0.313 nan 8.270 nan 0.000 0.435 275 P HA -0.007 nan 4.420 nan 0.000 0.245 275 P C -0.542 176.783 177.300 0.042 0.000 1.203 275 P CA 0.799 63.833 63.100 -0.111 0.000 0.792 275 P CB 0.344 32.016 31.700 -0.048 0.000 0.997 276 F N -3.041 116.927 119.950 0.031 0.000 3.090 276 F HA 0.684 5.211 4.527 0.000 0.000 0.324 276 F C -1.170 174.672 175.800 0.071 0.000 1.189 276 F CA -1.181 56.863 58.000 0.073 0.000 0.907 276 F CB 0.063 39.160 39.000 0.163 0.000 1.445 276 F HN -0.492 nan 8.300 nan 0.000 0.500 277 T N 2.697 117.547 114.554 0.493 0.000 2.856 277 T HA 0.600 4.950 4.350 0.000 0.000 0.283 277 T C -0.656 174.284 174.700 0.400 0.000 1.008 277 T CA -0.629 61.655 62.100 0.307 0.000 0.997 277 T CB 1.501 70.484 68.868 0.192 0.000 0.992 277 T HN 0.465 nan 8.240 nan 0.000 0.454 278 M N 3.249 122.983 119.600 0.223 0.000 2.101 278 M HA 0.411 4.892 4.480 0.000 0.000 0.340 278 M C -0.761 175.680 176.300 0.235 0.000 1.057 278 M CA -0.751 54.667 55.300 0.196 0.000 0.984 278 M CB 0.966 33.489 32.600 -0.129 0.000 1.560 278 M HN 0.604 nan 8.290 nan 0.000 0.435 279 D N 1.580 122.203 120.400 0.372 0.000 2.505 279 D HA 0.346 4.986 4.640 0.000 0.000 0.250 279 D C 0.412 176.916 176.300 0.340 0.000 1.164 279 D CA -0.297 53.876 54.000 0.289 0.000 0.870 279 D CB 1.278 42.193 40.800 0.191 0.000 1.160 279 D HN 0.527 nan 8.370 nan 0.000 0.549 280 S N 1.774 117.656 115.700 0.303 0.000 2.562 280 S HA 0.430 4.900 4.470 0.000 0.000 0.221 280 S C 1.413 176.016 174.600 0.005 0.000 0.975 280 S CA 0.069 58.366 58.200 0.161 0.000 0.918 280 S CB -0.339 62.964 63.200 0.172 0.000 0.772 280 S HN 0.935 nan 8.310 nan 0.000 0.531 281 G N 1.640 110.465 108.800 0.041 0.000 2.527 281 G HA2 0.092 4.053 3.960 0.000 0.000 0.227 281 G HA3 0.092 4.053 3.960 0.000 0.000 0.227 281 G C -0.058 174.840 174.900 -0.004 0.000 1.291 281 G CA -0.507 44.593 45.100 -0.001 0.000 0.904 281 G HN 1.268 nan 8.290 nan 0.000 0.577 282 A N 0.540 123.347 122.820 -0.023 0.000 2.524 282 A HA 0.516 4.836 4.320 0.000 0.000 0.250 282 A C 1.530 179.109 177.584 -0.007 0.000 1.078 282 A CA 1.327 53.358 52.037 -0.009 0.000 0.761 282 A CB -0.046 18.946 19.000 -0.014 0.000 1.012 282 A HN 1.558 nan 8.150 nan 0.000 0.500 283 E N 2.897 123.112 120.200 0.026 0.000 2.273 283 E HA -0.198 4.152 4.350 0.000 0.000 0.198 283 E C 1.372 178.008 176.600 0.060 0.000 1.002 283 E CA 1.440 57.871 56.400 0.052 0.000 0.828 283 E CB -0.227 29.515 29.700 0.071 0.000 0.747 283 E HN 0.671 nan 8.360 nan 0.000 0.491 284 A N 1.110 123.953 122.820 0.039 0.000 2.206 284 A HA -0.026 4.295 4.320 0.000 0.000 0.211 284 A C 2.167 179.769 177.584 0.030 0.000 1.158 284 A CA 1.313 53.380 52.037 0.050 0.000 0.761 284 A CB -0.351 18.670 19.000 0.036 0.000 0.801 284 A HN 0.488 nan 8.150 nan 0.000 0.473 285 T N -5.743 108.787 114.554 -0.040 0.000 2.964 285 T HA 0.417 4.767 4.350 0.000 0.000 0.249 285 T C 0.543 175.012 174.700 -0.385 0.000 1.000 285 T CA 0.752 62.780 62.100 -0.119 0.000 0.992 285 T CB 0.127 68.928 68.868 -0.111 0.000 1.087 285 T HN 0.454 nan 8.240 nan 0.000 0.489 286 S N -1.389 114.028 115.700 -0.472 0.000 2.655 286 S HA 0.705 5.175 4.470 0.000 0.000 0.266 286 S C -1.350 172.999 174.600 -0.419 0.000 1.149 286 S CA 0.060 57.678 58.200 -0.970 0.000 0.818 286 S CB 1.168 63.941 63.200 -0.712 0.000 1.130 286 S HN 1.294 nan 8.310 nan 0.000 0.476 287 G N -0.250 108.408 108.800 -0.238 0.000 2.338 287 G HA2 0.464 4.424 3.960 0.000 0.000 0.295 287 G HA3 0.464 4.424 3.960 0.000 0.000 0.295 287 G C -1.192 173.867 174.900 0.264 0.000 1.461 287 G CA 0.106 45.285 45.100 0.131 0.000 0.817 287 G HN 1.695 nan 8.290 nan 0.000 0.556 288 V N 1.003 121.077 119.914 0.267 0.000 2.304 288 V HA 0.560 4.680 4.120 0.000 0.000 0.269 288 V C 1.075 177.241 176.094 0.119 0.000 1.036 288 V CA 0.329 62.787 62.300 0.264 0.000 0.840 288 V CB 0.676 32.664 31.823 0.275 0.000 1.036 288 V HN 1.696 nan 8.190 nan 0.000 0.466 289 V N 3.196 123.097 119.914 -0.022 0.000 3.623 289 V HA 0.765 4.886 4.120 0.000 0.000 0.271 289 V C 0.962 176.989 176.094 -0.112 0.000 1.248 289 V CA 0.849 63.044 62.300 -0.175 0.000 1.156 289 V CB -1.045 30.370 31.823 -0.679 0.000 0.870 289 V HN 1.488 nan 8.190 nan 0.000 0.453 290 G N -1.914 106.877 108.800 -0.016 0.000 2.328 290 G HA2 0.355 4.315 3.960 0.000 0.000 0.295 290 G HA3 0.355 4.315 3.960 0.000 0.000 0.295 290 G C -2.488 172.605 174.900 0.322 0.000 1.413 290 G CA -0.301 44.902 45.100 0.172 0.000 0.817 290 G HN 0.290 nan 8.290 nan 0.000 0.546 291 W N 1.789 123.288 121.300 0.332 0.000 2.631 291 W HA 0.568 5.228 4.660 0.000 0.000 0.321 291 W C 0.273 176.996 176.519 0.341 0.000 1.004 291 W CA -0.348 57.130 57.345 0.222 0.000 1.291 291 W CB 1.310 30.795 29.460 0.042 0.000 1.300 291 W HN 0.974 nan 8.180 nan 0.000 0.422 292 G N 2.834 111.759 108.800 0.208 0.000 2.653 292 G HA2 0.045 4.005 3.960 0.000 0.000 0.265 292 G HA3 0.045 4.005 3.960 0.000 0.000 0.265 292 G C -0.301 174.602 174.900 0.005 0.000 1.237 292 G CA -0.630 44.631 45.100 0.268 0.000 0.946 292 G HN 0.594 nan 8.290 nan 0.000 0.522 293 N N 0.609 119.308 118.700 -0.002 0.000 3.301 293 N HA 0.303 5.044 4.740 0.000 0.000 0.289 293 N C -0.455 175.004 175.510 -0.085 0.000 1.343 293 N CA -0.175 52.854 53.050 -0.035 0.000 1.136 293 N CB 0.450 38.903 38.487 -0.057 0.000 1.402 293 N HN 0.144 nan 8.380 nan 0.000 0.516 294 M N 0.050 119.560 119.600 -0.150 0.000 2.501 294 M HA 0.346 4.826 4.480 0.000 0.000 0.293 294 M C -0.755 175.474 176.300 -0.118 0.000 1.192 294 M CA -0.789 54.418 55.300 -0.155 0.000 0.886 294 M CB 1.816 34.247 32.600 -0.282 0.000 1.710 294 M HN 0.046 nan 8.290 nan 0.000 0.457 295 D N 1.716 122.073 120.400 -0.071 0.000 2.368 295 D HA 0.256 4.896 4.640 0.000 0.000 0.240 295 D C -0.180 176.075 176.300 -0.076 0.000 1.169 295 D CA 0.686 54.664 54.000 -0.036 0.000 0.906 295 D CB 0.837 41.626 40.800 -0.019 0.000 1.187 295 D HN 0.402 nan 8.370 nan 0.000 0.435 296 T N 1.654 116.186 114.554 -0.036 0.000 2.806 296 T HA 0.379 4.729 4.350 0.000 0.000 0.290 296 T C 0.567 175.199 174.700 -0.113 0.000 0.966 296 T CA -0.446 61.610 62.100 -0.073 0.000 1.060 296 T CB 0.322 69.198 68.868 0.013 0.000 0.927 296 T HN 0.131 nan 8.240 nan 0.000 0.485 297 I N 3.252 123.733 120.570 -0.149 0.000 2.395 297 I HA 0.300 4.470 4.170 0.000 0.000 0.289 297 I C -0.200 175.771 176.117 -0.244 0.000 1.023 297 I CA -0.667 60.519 61.300 -0.191 0.000 1.350 297 I CB 1.060 38.939 38.000 -0.203 0.000 1.409 297 I HN 0.227 nan 8.210 nan 0.000 0.507 298 V N 7.856 127.529 119.914 -0.403 0.000 2.409 298 V HA 0.470 4.590 4.120 0.000 0.000 0.291 298 V C -0.011 175.726 176.094 -0.596 0.000 1.020 298 V CA -0.433 61.519 62.300 -0.580 0.000 0.848 298 V CB 1.720 32.870 31.823 -1.123 0.000 0.990 298 V HN 0.470 nan 8.190 nan 0.000 0.430 299 I N 5.002 125.352 120.570 -0.367 0.000 2.465 299 I HA 0.589 4.759 4.170 0.000 0.000 0.291 299 I C -0.036 175.891 176.117 -0.317 0.000 1.014 299 I CA -0.662 60.481 61.300 -0.263 0.000 1.093 299 I CB 1.975 39.868 38.000 -0.178 0.000 1.267 299 I HN 0.513 nan 8.210 nan 0.000 0.431 300 R N 6.152 126.490 120.500 -0.270 0.000 2.310 300 R HA 0.560 4.901 4.340 0.000 0.000 0.316 300 R C -1.741 174.370 176.300 -0.315 0.000 1.004 300 R CA -0.449 55.340 56.100 -0.517 0.000 0.900 300 R CB 1.296 31.278 30.300 -0.530 0.000 1.152 300 R HN 0.483 nan 8.270 nan 0.000 0.513 301 V N 3.776 123.479 119.914 -0.351 0.000 2.406 301 V HA 0.275 4.395 4.120 0.000 0.000 0.272 301 V C 0.053 175.951 176.094 -0.326 0.000 1.043 301 V CA -0.375 61.698 62.300 -0.378 0.000 0.915 301 V CB 1.289 32.636 31.823 -0.793 0.000 0.988 301 V HN 0.813 nan 8.190 nan 0.000 0.466 302 S N 4.677 120.238 115.700 -0.231 0.000 2.552 302 S HA 0.837 5.307 4.470 0.000 0.000 0.314 302 S C -0.483 174.024 174.600 -0.155 0.000 1.099 302 S CA -0.279 57.819 58.200 -0.170 0.000 1.070 302 S CB 1.649 64.771 63.200 -0.129 0.000 0.998 302 S HN 1.159 nan 8.310 nan 0.000 0.474 303 A N 5.257 127.994 122.820 -0.137 0.000 2.318 303 A HA 0.875 5.195 4.320 0.000 0.000 0.324 303 A C -2.831 174.706 177.584 -0.078 0.000 1.170 303 A CA -1.945 50.013 52.037 -0.132 0.000 0.810 303 A CB 0.518 19.440 19.000 -0.130 0.000 1.198 303 A HN 0.666 nan 8.150 nan 0.000 0.484 304 P HA 0.282 nan 4.420 nan 0.000 0.277 304 P C 0.717 177.989 177.300 -0.047 0.000 1.271 304 P CA -0.354 62.715 63.100 -0.051 0.000 0.795 304 P CB 0.738 32.407 31.700 -0.052 0.000 1.101 305 E N 0.784 120.962 120.200 -0.036 0.000 2.026 305 E HA -0.152 4.198 4.350 0.000 0.000 0.206 305 E C 1.781 178.360 176.600 -0.034 0.000 1.028 305 E CA 2.292 58.674 56.400 -0.030 0.000 0.845 305 E CB -1.297 28.389 29.700 -0.024 0.000 0.772 305 E HN 0.608 nan 8.360 nan 0.000 0.462 306 G N -0.854 107.922 108.800 -0.040 0.000 3.379 306 G HA2 0.408 4.368 3.960 0.000 0.000 0.253 306 G HA3 0.408 4.368 3.960 0.000 0.000 0.253 306 G C -0.009 174.861 174.900 -0.050 0.000 1.262 306 G CA 0.294 45.370 45.100 -0.040 0.000 0.959 306 G HN 0.404 nan 8.290 nan 0.000 0.524 307 A N -0.435 122.349 122.820 -0.059 0.000 2.286 307 A HA 0.675 4.995 4.320 0.000 0.000 0.286 307 A C -0.449 177.104 177.584 -0.052 0.000 1.097 307 A CA -0.355 51.639 52.037 -0.071 0.000 0.821 307 A CB 1.529 20.468 19.000 -0.100 0.000 1.076 307 A HN 0.330 nan 8.150 nan 0.000 0.490 308 V N 3.357 123.248 119.914 -0.039 0.000 2.289 308 V HA 0.217 4.337 4.120 0.000 0.000 0.272 308 V C -0.812 175.279 176.094 -0.005 0.000 1.026 308 V CA -0.786 61.511 62.300 -0.006 0.000 0.807 308 V CB 0.577 32.415 31.823 0.025 0.000 1.044 308 V HN 0.778 nan 8.190 nan 0.000 0.443 309 N N 2.860 121.506 118.700 -0.090 0.000 2.485 309 N HA 0.434 5.174 4.740 0.000 0.000 0.243 309 N C -0.304 175.275 175.510 0.115 0.000 0.987 309 N CA -0.078 52.814 53.050 -0.264 0.000 0.940 309 N CB 1.810 39.690 38.487 -1.013 0.000 1.122 309 N HN 0.521 nan 8.380 nan 0.000 0.509 310 S N 0.638 116.523 115.700 0.309 0.000 2.537 310 S HA 0.940 5.410 4.470 0.000 0.000 0.301 310 S C -0.185 174.689 174.600 0.457 0.000 1.092 310 S CA -0.735 57.650 58.200 0.308 0.000 1.048 310 S CB 2.089 65.403 63.200 0.191 0.000 1.053 310 S HN 0.678 nan 8.310 nan 0.000 0.501 311 A N 1.499 124.512 122.820 0.322 0.000 2.586 311 A HA 0.758 5.078 4.320 0.000 0.000 0.290 311 A C -1.787 175.906 177.584 0.182 0.000 1.086 311 A CA -0.697 51.513 52.037 0.290 0.000 0.665 311 A CB 0.717 19.963 19.000 0.411 0.000 1.279 311 A HN 0.709 nan 8.150 nan 0.000 0.423 312 I N 1.106 121.797 120.570 0.202 0.000 2.378 312 I HA 0.417 4.587 4.170 0.000 0.000 0.291 312 I C -0.991 175.257 176.117 0.219 0.000 0.992 312 I CA -0.797 60.622 61.300 0.197 0.000 1.154 312 I CB 1.693 39.832 38.000 0.231 0.000 1.315 312 I HN 0.595 nan 8.210 nan 0.000 0.448 313 L N 8.165 129.480 121.223 0.153 0.000 2.307 313 L HA 0.556 4.896 4.340 0.000 0.000 0.284 313 L C -1.032 175.956 176.870 0.196 0.000 1.023 313 L CA -0.276 54.628 54.840 0.106 0.000 0.810 313 L CB 0.964 43.019 42.059 -0.007 0.000 1.231 313 L HN 0.447 nan 8.230 nan 0.000 0.423 314 K N 4.296 124.859 120.400 0.271 0.000 2.378 314 K HA 0.901 5.221 4.320 0.000 0.000 0.252 314 K C -1.365 175.508 176.600 0.455 0.000 0.931 314 K CA -0.782 55.786 56.287 0.468 0.000 0.794 314 K CB 2.200 35.128 32.500 0.713 0.000 1.181 314 K HN 0.824 nan 8.250 nan 0.000 0.425 315 A N 2.600 125.734 122.820 0.524 0.000 2.515 315 A HA 0.828 5.148 4.320 0.000 0.000 0.298 315 A C -2.094 175.904 177.584 0.689 0.000 1.059 315 A CA -0.737 51.486 52.037 0.309 0.000 0.698 315 A CB 0.841 19.939 19.000 0.164 0.000 1.289 315 A HN 0.830 nan 8.150 nan 0.000 0.404 316 W N 0.258 121.777 121.300 0.365 0.000 3.146 316 W HA 0.723 5.383 4.660 0.000 0.000 0.319 316 W C -0.756 175.880 176.519 0.195 0.000 1.258 316 W CA -0.220 57.305 57.345 0.300 0.000 1.189 316 W CB 0.777 30.351 29.460 0.190 0.000 1.412 316 W HN 1.309 nan 8.180 nan 0.000 0.567 317 S N 0.912 116.711 115.700 0.165 0.000 2.543 317 S HA 0.626 5.096 4.470 0.000 0.000 0.271 317 S C -1.718 172.920 174.600 0.062 0.000 1.148 317 S CA -0.748 57.523 58.200 0.117 0.000 0.914 317 S CB 1.296 64.625 63.200 0.214 0.000 1.096 317 S HN 0.908 nan 8.310 nan 0.000 0.471 318 c N 3.782 122.435 118.600 0.088 0.000 2.273 318 c HA 0.799 5.369 4.570 0.000 0.000 0.328 318 c C 0.002 174.069 174.090 -0.038 0.000 1.275 318 c CA -0.453 55.898 56.329 0.036 0.000 1.704 318 c CB -1.051 41.497 42.510 0.065 0.000 2.326 318 c HN 0.863 nan 8.230 nan 0.000 0.517 319 I N 3.480 123.964 120.570 -0.143 0.000 2.686 319 I HA 0.490 4.660 4.170 0.000 0.000 0.295 319 I C -0.808 175.140 176.117 -0.281 0.000 1.114 319 I CA -0.216 60.892 61.300 -0.321 0.000 1.038 319 I CB 1.724 39.311 38.000 -0.688 0.000 1.238 319 I HN 0.588 nan 8.210 nan 0.000 0.420 320 E N 5.670 125.730 120.200 -0.234 0.000 2.133 320 E HA 0.389 4.739 4.350 0.000 0.000 0.274 320 E C -1.882 174.714 176.600 -0.006 0.000 0.930 320 E CA -0.540 55.826 56.400 -0.056 0.000 0.770 320 E CB 1.393 31.101 29.700 0.013 0.000 1.104 320 E HN 0.486 nan 8.360 nan 0.000 0.403 321 Y N 1.689 122.091 120.300 0.170 0.000 2.446 321 Y HA 0.386 4.936 4.550 0.000 0.000 0.338 321 Y C 0.311 176.271 175.900 0.100 0.000 1.055 321 Y CA -1.223 56.992 58.100 0.191 0.000 1.101 321 Y CB 1.158 39.690 38.460 0.120 0.000 1.221 321 Y HN 0.218 nan 8.280 nan 0.000 0.460 322 R N 3.986 124.602 120.500 0.192 0.000 2.210 322 R HA 0.255 4.595 4.340 0.000 0.000 0.338 322 R C -2.770 173.578 176.300 0.081 0.000 1.062 322 R CA -2.386 53.714 56.100 -0.000 0.000 0.902 322 R CB 0.085 30.263 30.300 -0.204 0.000 1.050 322 R HN 0.394 nan 8.270 nan 0.000 0.461 323 P HA 0.158 nan 4.420 nan 0.000 0.282 323 P C -0.791 176.634 177.300 0.209 0.000 1.249 323 P CA -0.530 62.634 63.100 0.107 0.000 0.806 323 P CB 1.069 32.792 31.700 0.039 0.000 0.984 324 N N 3.373 122.166 118.700 0.155 0.000 2.488 324 N HA 0.140 4.880 4.740 0.000 0.000 0.274 324 N C -1.548 173.997 175.510 0.059 0.000 1.111 324 N CA -1.463 51.647 53.050 0.099 0.000 0.974 324 N CB 0.489 38.995 38.487 0.033 0.000 1.089 324 N HN 0.323 nan 8.380 nan 0.000 0.465 325 P HA -0.245 nan 4.420 nan 0.000 0.217 325 P C 0.783 177.876 177.300 -0.345 0.000 1.151 325 P CA 1.224 64.022 63.100 -0.505 0.000 0.849 325 P CB 0.079 31.556 31.700 -0.371 0.000 0.787 326 N N -0.385 118.216 118.700 -0.166 0.000 2.459 326 N HA -0.032 4.708 4.740 0.000 0.000 0.181 326 N C 0.647 176.107 175.510 -0.083 0.000 1.046 326 N CA 0.371 53.351 53.050 -0.117 0.000 0.904 326 N CB -0.665 37.778 38.487 -0.074 0.000 0.964 326 N HN -0.010 nan 8.380 nan 0.000 0.444 327 A N 0.711 123.501 122.820 -0.051 0.000 2.425 327 A HA 0.244 4.564 4.320 0.000 0.000 0.242 327 A C 1.357 178.927 177.584 -0.022 0.000 1.077 327 A CA -0.256 51.768 52.037 -0.022 0.000 0.781 327 A CB 0.364 19.368 19.000 0.006 0.000 1.020 327 A HN 0.109 nan 8.150 nan 0.000 0.494 328 M N 1.311 120.890 119.600 -0.035 0.000 2.506 328 M HA -0.026 4.454 4.480 0.000 0.000 0.260 328 M C 1.464 177.713 176.300 -0.084 0.000 1.104 328 M CA 1.042 56.307 55.300 -0.059 0.000 1.112 328 M CB -1.101 31.472 32.600 -0.045 0.000 1.401 328 M HN 0.780 nan 8.290 nan 0.000 0.473 329 L N -3.380 117.837 121.223 -0.009 0.000 2.554 329 L HA 0.036 4.377 4.340 0.000 0.000 0.226 329 L C 2.082 178.960 176.870 0.014 0.000 1.137 329 L CA 1.049 55.924 54.840 0.059 0.000 0.863 329 L CB -2.074 40.051 42.059 0.110 0.000 0.985 329 L HN 0.070 nan 8.230 nan 0.000 0.451 330 Y N 1.310 121.539 120.300 -0.117 0.000 2.256 330 Y HA -0.263 4.287 4.550 0.000 0.000 0.288 330 Y C 2.267 178.083 175.900 -0.139 0.000 1.155 330 Y CA 1.628 59.671 58.100 -0.095 0.000 1.203 330 Y CB -0.012 38.395 38.460 -0.088 0.000 0.980 330 Y HN 0.299 nan 8.280 nan 0.000 0.530 331 Q N -0.828 118.918 119.800 -0.090 0.000 2.500 331 Q HA -0.066 4.274 4.340 0.000 0.000 0.213 331 Q C 0.998 176.836 176.000 -0.271 0.000 0.974 331 Q CA 1.206 56.886 55.803 -0.205 0.000 0.918 331 Q CB -0.386 28.152 28.738 -0.334 0.000 0.980 331 Q HN 0.610 nan 8.270 nan 0.000 0.505 332 F N -1.011 118.939 119.950 0.000 0.000 2.695 332 F HA 0.291 4.818 4.527 0.000 0.000 0.303 332 F C 1.481 177.283 175.800 0.004 0.000 1.091 332 F CA -0.638 57.366 58.000 0.007 0.000 1.300 332 F CB 0.259 39.266 39.000 0.011 0.000 1.071 332 F HN 0.006 nan 8.300 nan 0.000 0.578 333 G N -0.201 108.603 108.800 0.007 0.000 2.653 333 G HA2 0.399 4.359 3.960 0.000 0.000 0.265 333 G HA3 0.399 4.359 3.960 0.000 0.000 0.265 333 G C -0.987 173.894 174.900 -0.032 0.000 1.237 333 G CA 0.107 45.119 45.100 -0.146 0.000 0.946 333 G HN 0.538 nan 8.290 nan 0.000 0.522 334 H N -3.342 115.672 119.070 -0.093 0.000 2.876 334 H HA 0.385 4.941 4.556 0.000 0.000 0.284 334 H C -1.610 173.677 175.328 -0.069 0.000 1.445 334 H CA -1.055 54.954 56.048 -0.065 0.000 1.141 334 H CB 0.413 30.156 29.762 -0.032 0.000 1.816 334 H HN 0.325 nan 8.280 nan 0.000 0.511 335 D N 0.548 120.988 120.400 0.067 0.000 2.302 335 D HA 0.213 4.853 4.640 0.000 0.000 0.248 335 D C 0.144 176.480 176.300 0.059 0.000 1.094 335 D CA -0.180 53.802 54.000 -0.030 0.000 0.897 335 D CB 1.722 42.491 40.800 -0.052 0.000 1.200 335 D HN 0.532 nan 8.370 nan 0.000 0.429 336 S N 2.399 118.074 115.700 -0.042 0.000 2.560 336 S HA 0.133 4.603 4.470 0.000 0.000 0.284 336 S C -2.252 172.345 174.600 -0.004 0.000 1.327 336 S CA -1.062 57.171 58.200 0.055 0.000 1.055 336 S CB 0.472 63.787 63.200 0.191 0.000 0.868 336 S HN 0.210 nan 8.310 nan 0.000 0.506 337 P HA 0.241 nan 4.420 nan 0.000 0.272 337 P C -2.664 174.590 177.300 -0.077 0.000 1.223 337 P CA -1.571 61.503 63.100 -0.044 0.000 0.784 337 P CB -0.499 31.165 31.700 -0.059 0.000 0.923 338 P HA 0.007 nan 4.420 nan 0.000 0.269 338 P C 0.091 177.348 177.300 -0.071 0.000 1.215 338 P CA -0.304 62.756 63.100 -0.066 0.000 0.780 338 P CB 0.351 32.020 31.700 -0.051 0.000 0.898 339 L N 2.416 123.606 121.223 -0.056 0.000 2.628 339 L HA 0.029 4.369 4.340 0.000 0.000 0.274 339 L C 0.118 176.963 176.870 -0.042 0.000 1.209 339 L CA 1.077 55.886 54.840 -0.051 0.000 0.930 339 L CB -0.987 41.058 42.059 -0.023 0.000 1.183 339 L HN 0.302 nan 8.230 nan 0.000 0.492 340 D N 4.171 124.541 120.400 -0.051 0.000 2.408 340 D HA 0.111 4.751 4.640 0.000 0.000 0.261 340 D C 0.739 177.044 176.300 0.009 0.000 1.190 340 D CA -0.323 53.666 54.000 -0.019 0.000 0.910 340 D CB 0.832 41.619 40.800 -0.021 0.000 1.097 340 D HN 0.607 nan 8.370 nan 0.000 0.522 341 E N 1.704 121.917 120.200 0.021 0.000 2.086 341 E HA -0.141 4.210 4.350 0.000 0.000 0.200 341 E C 1.881 178.522 176.600 0.069 0.000 1.012 341 E CA 1.036 57.461 56.400 0.042 0.000 0.812 341 E CB 0.076 29.798 29.700 0.036 0.000 0.743 341 E HN 0.392 nan 8.360 nan 0.000 0.453 342 V N 1.188 121.141 119.914 0.066 0.000 2.343 342 V HA -0.265 3.855 4.120 0.000 0.000 0.247 342 V C 2.453 178.623 176.094 0.127 0.000 1.051 342 V CA 1.843 64.194 62.300 0.085 0.000 1.036 342 V CB -0.914 30.951 31.823 0.069 0.000 0.654 342 V HN 0.283 nan 8.190 nan 0.000 0.451 343 A N -0.134 122.767 122.820 0.135 0.000 1.902 343 A HA -0.139 4.181 4.320 0.000 0.000 0.217 343 A C 2.199 179.969 177.584 0.310 0.000 1.181 343 A CA 1.703 53.874 52.037 0.223 0.000 0.623 343 A CB -0.549 18.576 19.000 0.207 0.000 0.818 343 A HN 0.512 nan 8.150 nan 0.000 0.443 344 L N -1.099 120.252 121.223 0.213 0.000 2.131 344 L HA -0.196 4.144 4.340 0.000 0.000 0.210 344 L C 2.827 179.887 176.870 0.318 0.000 1.092 344 L CA 1.227 56.228 54.840 0.268 0.000 0.759 344 L CB -0.432 41.718 42.059 0.153 0.000 0.903 344 L HN 0.368 nan 8.230 nan 0.000 0.435 345 Q N 0.012 119.948 119.800 0.226 0.000 2.062 345 Q HA -0.137 4.203 4.340 0.000 0.000 0.196 345 Q C 2.145 178.265 176.000 0.199 0.000 0.967 345 Q CA 1.317 57.231 55.803 0.185 0.000 0.832 345 Q CB -0.005 28.806 28.738 0.122 0.000 0.899 345 Q HN 0.303 nan 8.270 nan 0.000 0.442 346 E N -0.511 119.815 120.200 0.211 0.000 2.077 346 E HA -0.184 4.166 4.350 0.000 0.000 0.193 346 E C 1.841 178.583 176.600 0.236 0.000 0.989 346 E CA 0.859 57.368 56.400 0.182 0.000 0.800 346 E CB -0.588 29.220 29.700 0.179 0.000 0.746 346 E HN 0.407 nan 8.360 nan 0.000 0.452 347 Y N 2.392 122.848 120.300 0.260 0.000 2.040 347 Y HA -0.316 4.234 4.550 0.000 0.000 0.275 347 Y C 2.244 178.323 175.900 0.298 0.000 1.171 347 Y CA 2.164 60.487 58.100 0.372 0.000 1.123 347 Y CB -0.082 38.657 38.460 0.465 0.000 0.963 347 Y HN -0.069 nan 8.280 nan 0.000 0.493 348 R N -0.528 120.128 120.500 0.261 0.000 2.083 348 R HA -0.140 4.200 4.340 0.000 0.000 0.237 348 R C 2.215 178.505 176.300 -0.016 0.000 1.137 348 R CA 1.924 58.075 56.100 0.084 0.000 0.951 348 R CB -1.542 28.853 30.300 0.159 0.000 0.851 348 R HN 0.379 nan 8.270 nan 0.000 0.434 349 T N 1.530 116.092 114.554 0.013 0.000 2.652 349 T HA -0.094 4.256 4.350 0.000 0.000 0.267 349 T C 2.137 176.766 174.700 -0.118 0.000 1.039 349 T CA 1.589 63.671 62.100 -0.030 0.000 1.153 349 T CB -0.299 68.570 68.868 0.000 0.000 0.863 349 T HN -0.019 nan 8.240 nan 0.000 0.428 350 V N 1.733 121.528 119.914 -0.199 0.000 2.295 350 V HA -0.189 3.931 4.120 0.000 0.000 0.246 350 V C 2.900 178.704 176.094 -0.484 0.000 1.049 350 V CA 1.753 63.797 62.300 -0.427 0.000 1.024 350 V CB -1.263 30.089 31.823 -0.786 0.000 0.648 350 V HN 0.544 nan 8.190 nan 0.000 0.447 351 A N 1.380 123.953 122.820 -0.412 0.000 1.908 351 A HA -0.257 4.063 4.320 0.000 0.000 0.218 351 A C 2.226 179.726 177.584 -0.140 0.000 1.181 351 A CA 2.274 54.180 52.037 -0.219 0.000 0.627 351 A CB -0.470 18.411 19.000 -0.197 0.000 0.818 351 A HN 0.723 nan 8.150 nan 0.000 0.445 352 R N -0.759 119.671 120.500 -0.117 0.000 2.310 352 R HA 0.231 4.571 4.340 0.000 0.000 0.202 352 R C 1.091 177.351 176.300 -0.067 0.000 0.933 352 R CA 1.385 57.444 56.100 -0.068 0.000 1.054 352 R CB -0.399 29.877 30.300 -0.040 0.000 0.985 352 R HN 0.226 nan 8.270 nan 0.000 0.489 353 S N 0.221 115.860 115.700 -0.101 0.000 2.503 353 S HA 0.274 4.744 4.470 0.000 0.000 0.215 353 S C 0.460 175.012 174.600 -0.080 0.000 1.003 353 S CA -0.379 57.772 58.200 -0.083 0.000 0.910 353 S CB 0.098 63.241 63.200 -0.095 0.000 0.790 353 S HN 0.156 nan 8.310 nan 0.000 0.514 354 L N 3.558 124.716 121.223 -0.108 0.000 2.439 354 L HA 0.266 4.606 4.340 0.000 0.000 0.269 354 L C -1.816 175.040 176.870 -0.023 0.000 1.179 354 L CA -1.693 53.104 54.840 -0.071 0.000 0.828 354 L CB 0.008 42.018 42.059 -0.082 0.000 1.106 354 L HN 0.078 nan 8.230 nan 0.000 0.467 355 P HA 0.065 nan 4.420 nan 0.000 0.274 355 P C 0.915 178.233 177.300 0.030 0.000 1.246 355 P CA -0.515 62.606 63.100 0.035 0.000 0.795 355 P CB 1.069 32.807 31.700 0.063 0.000 1.006 356 V N 0.133 120.082 119.914 0.058 0.000 2.317 356 V HA -0.154 3.966 4.120 0.000 0.000 0.251 356 V C 1.306 177.380 176.094 -0.033 0.000 1.065 356 V CA 2.703 65.032 62.300 0.048 0.000 1.049 356 V CB -1.209 30.688 31.823 0.123 0.000 0.651 356 V HN 0.938 nan 8.190 nan 0.000 0.450 357 A N -1.379 121.401 122.820 -0.067 0.000 2.599 357 A HA 0.725 5.045 4.320 0.000 0.000 0.290 357 A C -1.032 176.351 177.584 -0.334 0.000 1.101 357 A CA 0.158 51.988 52.037 -0.344 0.000 0.674 357 A CB 1.798 20.380 19.000 -0.696 0.000 1.277 357 A HN 0.765 nan 8.150 nan 0.000 0.419 358 V N -1.100 118.586 119.914 -0.380 0.000 3.102 358 V HA 0.860 4.980 4.120 0.000 0.000 0.312 358 V C 0.076 176.062 176.094 -0.180 0.000 1.135 358 V CA -0.591 61.643 62.300 -0.110 0.000 1.022 358 V CB 1.113 32.976 31.823 0.066 0.000 1.056 358 V HN 1.720 nan 8.190 nan 0.000 0.436 359 I N 0.800 121.442 120.570 0.120 0.000 3.194 359 I HA 0.646 4.816 4.170 0.000 0.000 0.283 359 I C 1.549 177.696 176.117 0.051 0.000 1.199 359 I CA 0.856 62.243 61.300 0.146 0.000 1.328 359 I CB 0.292 38.404 38.000 0.186 0.000 1.404 359 I HN 0.888 nan 8.210 nan 0.000 0.618 360 A N 3.024 125.867 122.820 0.037 0.000 1.930 360 A HA 0.204 4.524 4.320 0.000 0.000 0.215 360 A C 2.186 179.833 177.584 0.104 0.000 1.176 360 A CA 1.200 53.279 52.037 0.070 0.000 0.632 360 A CB -1.381 17.648 19.000 0.049 0.000 0.819 360 A HN 1.095 nan 8.150 nan 0.000 0.445 361 A N -1.043 121.814 122.820 0.062 0.000 2.272 361 A HA -0.131 4.189 4.320 0.000 0.000 0.213 361 A C 1.771 179.362 177.584 0.012 0.000 1.183 361 A CA 1.481 53.539 52.037 0.034 0.000 0.719 361 A CB -0.455 18.554 19.000 0.015 0.000 0.771 361 A HN 0.613 nan 8.150 nan 0.000 0.484 362 Q N -0.213 119.599 119.800 0.019 0.000 2.222 362 Q HA 0.082 4.422 4.340 0.000 0.000 0.206 362 Q C -0.179 175.784 176.000 -0.062 0.000 0.877 362 Q CA 0.043 55.845 55.803 -0.001 0.000 0.958 362 Q CB 0.003 28.764 28.738 0.038 0.000 1.075 362 Q HN 0.946 nan 8.270 nan 0.000 0.483 363 N N 0.000 118.608 118.700 -0.154 0.000 1.763 363 N HA 0.000 4.740 4.740 0.000 0.000 0.220 363 N CA 0.000 52.817 53.050 -0.389 0.000 0.885 363 N CB 0.000 37.903 38.487 -0.973 0.000 1.341 363 N HN 0.000 nan 8.380 nan 0.000 0.667