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 1n4a_1_B DATA FIRST_RESID 5001 DATA SEQUENCE APRVITLSPA NTELAFAAGI TPVGVSSYSD YPPQAQKIEQ VSTWQGXNLE DATA SEQUENCE RIVALKPDLV IAWRGGNAER QVDQLASLGI KVXWVDATSI EQIANALRQL DATA SEQUENCE APWSPQPDKA EQAAQSLLDQ YAQLKAQYAD KPKKRVFLQF GINPPFTSGK DATA SEQUENCE ESIQNQVLEV cGGENIFKDS RVPWPQVSRE QVLARSPQAI VITGGPDQIP DATA SEQUENCE KIKQYWGEQL KIPVIPLTSD WFERASPRII LAAQQLcNAL SQVD 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 5001 A HA 0.000 nan 4.320 nan 0.000 0.244 5001 A C 0.000 177.609 177.584 0.041 0.000 1.274 5001 A CA 0.000 52.048 52.037 0.018 0.000 0.836 5001 A CB 0.000 19.004 19.000 0.006 0.000 0.831 5002 P HA 0.288 nan 4.420 nan 0.000 0.262 5002 P C -0.579 176.768 177.300 0.079 0.000 1.182 5002 P CA 0.287 63.479 63.100 0.155 0.000 0.761 5002 P CB 0.259 32.174 31.700 0.359 0.000 0.795 5003 R N 1.933 122.461 120.500 0.046 0.000 2.248 5003 R HA 0.371 4.710 4.340 -0.002 0.000 0.328 5003 R C -0.685 175.582 176.300 -0.056 0.000 1.067 5003 R CA -0.545 55.549 56.100 -0.010 0.000 0.924 5003 R CB 0.538 30.832 30.300 -0.010 0.000 1.013 5003 R HN 0.235 nan 8.270 nan 0.000 0.454 5004 V N 5.271 125.133 119.914 -0.086 0.000 2.555 5004 V HA 0.422 4.541 4.120 -0.002 0.000 0.302 5004 V C -0.043 175.976 176.094 -0.124 0.000 1.038 5004 V CA -0.857 61.358 62.300 -0.142 0.000 0.887 5004 V CB 2.036 33.765 31.823 -0.158 0.000 0.991 5004 V HN 0.574 nan 8.190 nan 0.000 0.434 5005 I N 3.754 124.241 120.570 -0.138 0.000 2.433 5005 I HA 0.498 4.667 4.170 -0.002 0.000 0.292 5005 I C 0.294 176.346 176.117 -0.109 0.000 1.001 5005 I CA -0.208 61.030 61.300 -0.103 0.000 1.119 5005 I CB 2.087 40.028 38.000 -0.098 0.000 1.289 5005 I HN 0.767 nan 8.210 nan 0.000 0.438 5006 T N 3.690 118.205 114.554 -0.064 0.000 2.797 5006 T HA 0.511 4.860 4.350 -0.002 0.000 0.279 5006 T C 0.294 174.982 174.700 -0.021 0.000 0.991 5006 T CA -0.616 61.455 62.100 -0.049 0.000 0.979 5006 T CB 2.003 70.863 68.868 -0.012 0.000 0.943 5006 T HN 0.207 nan 8.240 nan 0.000 0.444 5007 L N 2.546 123.756 121.223 -0.022 0.000 2.653 5007 L HA 0.390 4.729 4.340 -0.002 0.000 0.231 5007 L C 0.889 177.816 176.870 0.095 0.000 1.153 5007 L CA 0.180 55.032 54.840 0.021 0.000 0.933 5007 L CB -0.913 41.135 42.059 -0.017 0.000 1.175 5007 L HN 1.035 nan 8.230 nan 0.000 0.473 5008 S N -4.055 111.686 115.700 0.067 0.000 2.550 5008 S HA 0.548 5.017 4.470 -0.002 0.000 0.270 5008 S C -2.504 172.087 174.600 -0.014 0.000 1.145 5008 S CA -0.965 57.271 58.200 0.060 0.000 0.852 5008 S CB 1.852 65.062 63.200 0.017 0.000 1.119 5008 S HN -0.240 nan 8.310 nan 0.000 0.465 5009 P HA -0.004 nan 4.420 nan 0.000 0.216 5009 P C 1.592 178.858 177.300 -0.057 0.000 1.150 5009 P CA 2.124 65.221 63.100 -0.006 0.000 0.837 5009 P CB -0.103 31.602 31.700 0.008 0.000 0.786 5010 A N -0.388 122.316 122.820 -0.193 0.000 1.898 5010 A HA -0.201 4.118 4.320 -0.002 0.000 0.216 5010 A C 2.078 179.587 177.584 -0.125 0.000 1.181 5010 A CA 1.779 53.691 52.037 -0.209 0.000 0.620 5010 A CB -1.399 17.353 19.000 -0.414 0.000 0.819 5010 A HN 0.121 nan 8.150 nan 0.000 0.442 5011 N N -0.250 118.373 118.700 -0.129 0.000 2.309 5011 N HA -0.078 4.661 4.740 -0.002 0.000 0.182 5011 N C 1.622 177.137 175.510 0.008 0.000 1.018 5011 N CA 1.707 54.719 53.050 -0.062 0.000 0.876 5011 N CB -0.661 37.790 38.487 -0.060 0.000 0.972 5011 N HN 0.485 nan 8.380 nan 0.000 0.434 5012 T N 1.109 115.693 114.554 0.049 0.000 2.777 5012 T HA -0.056 4.293 4.350 -0.002 0.000 0.266 5012 T C 1.603 176.454 174.700 0.252 0.000 1.040 5012 T CA 0.958 63.152 62.100 0.157 0.000 1.141 5012 T CB -0.066 68.898 68.868 0.160 0.000 0.868 5012 T HN 0.357 nan 8.240 nan 0.000 0.444 5013 E N 0.801 121.101 120.200 0.168 0.000 2.077 5013 E HA -0.058 4.291 4.350 -0.002 0.000 0.193 5013 E C 2.257 178.959 176.600 0.171 0.000 0.989 5013 E CA 0.806 57.327 56.400 0.201 0.000 0.800 5013 E CB -0.290 29.503 29.700 0.156 0.000 0.746 5013 E HN 0.420 nan 8.360 nan 0.000 0.452 5014 L N 0.631 121.906 121.223 0.088 0.000 2.017 5014 L HA -0.200 4.139 4.340 -0.002 0.000 0.208 5014 L C 2.639 179.546 176.870 0.063 0.000 1.073 5014 L CA 1.073 55.945 54.840 0.054 0.000 0.745 5014 L CB -0.502 41.561 42.059 0.007 0.000 0.894 5014 L HN 0.138 nan 8.230 nan 0.000 0.432 5015 A N -0.172 122.680 122.820 0.053 0.000 1.883 5015 A HA -0.232 4.087 4.320 -0.002 0.000 0.217 5015 A C 2.058 179.619 177.584 -0.039 0.000 1.186 5015 A CA 1.640 53.666 52.037 -0.020 0.000 0.624 5015 A CB -0.891 18.060 19.000 -0.082 0.000 0.822 5015 A HN 0.297 nan 8.150 nan 0.000 0.444 5016 F N 0.073 120.023 119.950 0.001 0.000 2.134 5016 F HA -0.077 4.449 4.527 -0.001 0.000 0.299 5016 F C 2.772 178.577 175.800 0.008 0.000 1.097 5016 F CA 1.170 59.167 58.000 -0.004 0.000 1.264 5016 F CB -0.335 38.651 39.000 -0.023 0.000 1.001 5016 F HN 0.252 nan 8.300 nan 0.000 0.479 5017 A N -0.389 122.552 122.820 0.202 0.000 2.070 5017 A HA 0.016 4.335 4.320 -0.002 0.000 0.220 5017 A C 2.159 179.789 177.584 0.078 0.000 1.159 5017 A CA 1.450 53.563 52.037 0.127 0.000 0.656 5017 A CB -1.026 18.038 19.000 0.107 0.000 0.800 5017 A HN 0.286 nan 8.150 nan 0.000 0.453 5018 A N -2.039 120.816 122.820 0.058 0.000 2.275 5018 A HA 0.435 4.754 4.320 -0.002 0.000 0.212 5018 A C 1.684 179.280 177.584 0.021 0.000 1.201 5018 A CA 1.110 53.170 52.037 0.038 0.000 0.843 5018 A CB -0.640 18.382 19.000 0.037 0.000 0.873 5018 A HN 1.799 nan 8.150 nan 0.000 0.492 5019 G N -0.930 107.876 108.800 0.009 0.000 2.141 5019 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.231 5019 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.231 5019 G C 0.015 174.868 174.900 -0.080 0.000 0.984 5019 G CA 0.185 45.277 45.100 -0.013 0.000 0.660 5019 G HN 0.425 nan 8.290 nan 0.000 0.525 5020 I N 1.241 121.722 120.570 -0.149 0.000 2.392 5020 I HA 0.422 4.591 4.170 -0.002 0.000 0.295 5020 I C 0.161 175.961 176.117 -0.528 0.000 0.985 5020 I CA -0.489 60.675 61.300 -0.226 0.000 1.221 5020 I CB 1.874 39.782 38.000 -0.154 0.000 1.366 5020 I HN -0.007 nan 8.210 nan 0.000 0.467 5021 T N 6.852 121.139 114.554 -0.445 0.000 2.801 5021 T HA 0.337 4.686 4.350 -0.002 0.000 0.306 5021 T C -2.338 172.154 174.700 -0.346 0.000 1.020 5021 T CA -1.217 60.531 62.100 -0.587 0.000 0.948 5021 T CB 0.903 69.605 68.868 -0.278 0.000 0.962 5021 T HN 0.277 nan 8.240 nan 0.000 0.465 5022 P HA 0.076 nan 4.420 nan 0.000 0.269 5022 P C 0.981 178.236 177.300 -0.076 0.000 1.215 5022 P CA -0.448 62.559 63.100 -0.154 0.000 0.780 5022 P CB 0.565 32.213 31.700 -0.088 0.000 0.898 5023 V N -0.839 119.041 119.914 -0.057 0.000 3.647 5023 V HA 0.515 4.634 4.120 -0.002 0.000 0.279 5023 V C 0.596 176.679 176.094 -0.018 0.000 1.314 5023 V CA 0.649 62.930 62.300 -0.032 0.000 1.125 5023 V CB -0.568 31.236 31.823 -0.032 0.000 0.907 5023 V HN 0.620 nan 8.190 nan 0.000 0.434 5024 G N 0.032 108.821 108.800 -0.018 0.000 2.750 5024 G HA2 0.588 4.547 3.960 -0.002 0.000 0.298 5024 G HA3 0.588 4.547 3.960 -0.002 0.000 0.298 5024 G C -1.265 173.636 174.900 0.003 0.000 1.412 5024 G CA 0.163 45.259 45.100 -0.007 0.000 1.078 5024 G HN 1.025 nan 8.290 nan 0.000 0.573 5025 V N -0.650 119.278 119.914 0.024 0.000 3.158 5025 V HA 0.969 5.087 4.120 -0.002 0.000 0.311 5025 V C 0.437 176.555 176.094 0.041 0.000 1.181 5025 V CA -0.279 62.045 62.300 0.040 0.000 1.054 5025 V CB 1.360 33.228 31.823 0.076 0.000 1.085 5025 V HN 1.465 nan 8.190 nan 0.000 0.446 5026 S N 0.888 116.621 115.700 0.055 0.000 2.707 5026 S HA 0.611 5.080 4.470 -0.002 0.000 0.276 5026 S C 0.388 175.041 174.600 0.089 0.000 1.179 5026 S CA 0.117 58.361 58.200 0.073 0.000 0.992 5026 S CB 1.102 64.358 63.200 0.094 0.000 1.030 5026 S HN 2.090 nan 8.310 nan 0.000 0.554 5027 S N -0.195 115.575 115.700 0.116 0.000 2.584 5027 S HA 0.258 4.726 4.470 -0.002 0.000 0.270 5027 S C -0.067 174.663 174.600 0.217 0.000 1.346 5027 S CA -0.128 58.151 58.200 0.132 0.000 1.018 5027 S CB -0.837 62.470 63.200 0.178 0.000 0.899 5027 S HN 1.143 nan 8.310 nan 0.000 0.542 5028 Y N -0.636 119.675 120.300 0.019 0.000 4.916 5028 Y HA -0.242 4.307 4.550 -0.002 0.000 0.247 5028 Y C 0.934 176.837 175.900 0.005 0.000 0.962 5028 Y CA 0.987 59.089 58.100 0.004 0.000 1.933 5028 Y CB -2.077 36.378 38.460 -0.009 0.000 1.451 5028 Y HN 0.706 nan 8.280 nan 0.000 0.539 5029 S N 1.886 117.643 115.700 0.095 0.000 3.900 5029 S HA 0.096 4.565 4.470 -0.002 0.000 0.248 5029 S C 0.695 175.307 174.600 0.021 0.000 1.310 5029 S CA 0.286 58.529 58.200 0.070 0.000 0.915 5029 S CB -0.178 63.065 63.200 0.071 0.000 1.588 5029 S HN 0.424 nan 8.310 nan 0.000 0.472 5030 D N 0.340 120.760 120.400 0.035 0.000 2.363 5030 D HA 0.049 4.688 4.640 -0.002 0.000 0.214 5030 D C -0.141 176.182 176.300 0.038 0.000 1.093 5030 D CA -0.153 53.849 54.000 0.002 0.000 0.837 5030 D CB -0.037 40.760 40.800 -0.005 0.000 0.948 5030 D HN 0.493 nan 8.370 nan 0.000 0.507 5031 Y N 0.185 120.423 120.300 -0.104 0.000 2.421 5031 Y HA 0.442 4.991 4.550 -0.002 0.000 0.339 5031 Y C -2.750 172.995 175.900 -0.259 0.000 0.996 5031 Y CA -2.309 55.706 58.100 -0.141 0.000 1.046 5031 Y CB 2.142 40.572 38.460 -0.050 0.000 1.226 5031 Y HN -0.264 nan 8.280 nan 0.000 0.445 5032 P HA 0.172 nan 4.420 nan 0.000 0.273 5032 P C -2.272 174.602 177.300 -0.711 0.000 1.250 5032 P CA -0.991 61.366 63.100 -1.238 0.000 0.793 5032 P CB 0.526 31.602 31.700 -1.040 0.000 1.011 5033 P HA -0.217 nan 4.420 nan 0.000 0.217 5033 P C 1.321 178.472 177.300 -0.248 0.000 1.148 5033 P CA 1.758 64.698 63.100 -0.267 0.000 0.828 5033 P CB -0.242 31.348 31.700 -0.183 0.000 0.783 5034 Q N -0.678 118.934 119.800 -0.314 0.000 2.135 5034 Q HA -0.169 4.170 4.340 -0.002 0.000 0.204 5034 Q C 2.232 178.140 176.000 -0.154 0.000 0.981 5034 Q CA 1.651 57.335 55.803 -0.197 0.000 0.856 5034 Q CB -0.845 27.807 28.738 -0.142 0.000 0.902 5034 Q HN 0.211 nan 8.270 nan 0.000 0.425 5035 A N 1.087 123.701 122.820 -0.345 0.000 2.024 5035 A HA -0.266 4.053 4.320 -0.002 0.000 0.220 5035 A C 1.888 179.449 177.584 -0.038 0.000 1.164 5035 A CA 1.453 53.414 52.037 -0.125 0.000 0.643 5035 A CB -0.441 18.426 19.000 -0.221 0.000 0.806 5035 A HN 0.390 nan 8.150 nan 0.000 0.451 5036 Q N -0.496 119.256 119.800 -0.082 0.000 2.368 5036 Q HA -0.151 4.188 4.340 -0.002 0.000 0.210 5036 Q C 1.693 177.676 176.000 -0.028 0.000 0.982 5036 Q CA 1.439 57.209 55.803 -0.054 0.000 0.884 5036 Q CB -0.120 28.576 28.738 -0.070 0.000 0.933 5036 Q HN 0.681 nan 8.270 nan 0.000 0.460 5037 K N 0.076 120.469 120.400 -0.012 0.000 2.211 5037 K HA 0.099 4.418 4.320 -0.002 0.000 0.201 5037 K C 0.462 177.073 176.600 0.017 0.000 1.052 5037 K CA 0.116 56.404 56.287 0.002 0.000 0.973 5037 K CB 0.328 32.833 32.500 0.008 0.000 0.766 5037 K HN 0.140 nan 8.250 nan 0.000 0.466 5038 I N 3.648 124.241 120.570 0.040 0.000 2.710 5038 I HA -0.098 4.071 4.170 -0.002 0.000 0.286 5038 I C 0.680 176.812 176.117 0.026 0.000 1.181 5038 I CA -0.080 61.247 61.300 0.045 0.000 1.430 5038 I CB 0.224 38.274 38.000 0.082 0.000 1.367 5038 I HN 0.262 nan 8.210 nan 0.000 0.577 5039 E N 6.557 126.768 120.200 0.017 0.000 2.414 5039 E HA 0.049 4.398 4.350 -0.002 0.000 0.263 5039 E C -0.895 175.714 176.600 0.014 0.000 1.000 5039 E CA -0.487 55.919 56.400 0.011 0.000 0.914 5039 E CB 0.507 30.210 29.700 0.005 0.000 0.948 5039 E HN 0.504 nan 8.360 nan 0.000 0.444 5040 Q N 1.548 121.356 119.800 0.013 0.000 2.288 5040 Q HA 0.191 4.530 4.340 -0.002 0.000 0.254 5040 Q C 0.485 176.494 176.000 0.016 0.000 0.932 5040 Q CA -0.214 55.600 55.803 0.019 0.000 0.902 5040 Q CB 1.792 30.543 28.738 0.023 0.000 1.203 5040 Q HN 0.694 nan 8.270 nan 0.000 0.415 5041 V N -1.910 118.014 119.914 0.017 0.000 3.432 5041 V HA 0.304 4.423 4.120 -0.002 0.000 0.298 5041 V C -0.060 176.043 176.094 0.013 0.000 1.464 5041 V CA 0.325 62.630 62.300 0.008 0.000 1.046 5041 V CB 0.499 32.319 31.823 -0.005 0.000 0.887 5041 V HN 0.681 nan 8.190 nan 0.000 0.441 5042 S N 0.079 115.798 115.700 0.031 0.000 2.611 5042 S HA 0.838 5.307 4.470 -0.002 0.000 0.268 5042 S C -0.351 174.297 174.600 0.079 0.000 1.156 5042 S CA 0.185 58.412 58.200 0.044 0.000 0.817 5042 S CB 1.937 65.160 63.200 0.039 0.000 1.122 5042 S HN 1.290 nan 8.310 nan 0.000 0.466 5043 T N -2.628 111.985 114.554 0.098 0.000 2.647 5043 T HA 0.476 4.825 4.350 -0.002 0.000 0.295 5043 T C 0.368 175.193 174.700 0.209 0.000 1.126 5043 T CA -0.346 61.849 62.100 0.158 0.000 1.040 5043 T CB 0.096 69.052 68.868 0.147 0.000 1.472 5043 T HN 0.913 nan 8.240 nan 0.000 0.500 5044 W N 1.497 122.815 121.300 0.030 0.000 2.298 5044 W HA -0.060 4.598 4.660 -0.002 0.000 0.328 5044 W C 1.444 177.946 176.519 -0.028 0.000 1.259 5044 W CA 1.938 59.279 57.345 -0.007 0.000 1.251 5044 W CB -0.866 28.578 29.460 -0.026 0.000 1.161 5044 W HN 0.758 nan 8.180 nan 0.000 0.466 5045 Q N -0.141 119.570 119.800 -0.148 0.000 2.211 5045 Q HA 0.394 4.733 4.340 -0.002 0.000 0.301 5045 Q C 0.026 175.940 176.000 -0.144 0.000 0.884 5045 Q CA 0.228 55.851 55.803 -0.300 0.000 1.115 5045 Q CB 0.599 28.965 28.738 -0.621 0.000 1.217 5045 Q HN 0.201 nan 8.270 nan 0.000 0.451 5049 L N 1.963 123.178 121.223 -0.014 0.000 2.141 5049 L HA 0.044 4.383 4.340 -0.002 0.000 0.209 5049 L C 2.201 179.062 176.870 -0.015 0.000 1.094 5049 L CA 1.504 56.334 54.840 -0.016 0.000 0.763 5049 L CB -0.125 41.925 42.059 -0.014 0.000 0.908 5049 L HN 0.538 nan 8.230 nan 0.000 0.437 5050 E N -0.656 119.537 120.200 -0.012 0.000 2.051 5050 E HA -0.241 4.108 4.350 -0.002 0.000 0.192 5050 E C 2.342 178.935 176.600 -0.011 0.000 0.991 5050 E CA 0.874 57.268 56.400 -0.010 0.000 0.799 5050 E CB -0.193 29.502 29.700 -0.008 0.000 0.748 5050 E HN 0.227 nan 8.360 nan 0.000 0.449 5051 R N 1.144 121.637 120.500 -0.011 0.000 2.075 5051 R HA -0.021 4.318 4.340 -0.002 0.000 0.232 5051 R C 2.359 178.649 176.300 -0.016 0.000 1.126 5051 R CA 0.932 57.025 56.100 -0.011 0.000 0.963 5051 R CB -0.680 29.616 30.300 -0.008 0.000 0.858 5051 R HN 0.162 nan 8.270 nan 0.000 0.435 5052 I N -0.406 120.152 120.570 -0.020 0.000 2.179 5052 I HA -0.276 3.893 4.170 -0.002 0.000 0.242 5052 I C 2.016 178.116 176.117 -0.029 0.000 1.088 5052 I CA 1.227 62.510 61.300 -0.030 0.000 1.357 5052 I CB -0.266 37.711 38.000 -0.038 0.000 1.051 5052 I HN -0.022 nan 8.210 nan 0.000 0.409 5053 V N 0.999 120.899 119.914 -0.023 0.000 2.343 5053 V HA -0.270 3.849 4.120 -0.002 0.000 0.247 5053 V C 2.674 178.758 176.094 -0.016 0.000 1.051 5053 V CA 1.933 64.222 62.300 -0.020 0.000 1.036 5053 V CB -0.986 30.828 31.823 -0.015 0.000 0.654 5053 V HN 0.498 nan 8.190 nan 0.000 0.451 5054 A N -0.451 122.361 122.820 -0.014 0.000 1.969 5054 A HA -0.090 4.229 4.320 -0.002 0.000 0.218 5054 A C 2.118 179.695 177.584 -0.012 0.000 1.169 5054 A CA 1.350 53.380 52.037 -0.011 0.000 0.635 5054 A CB -0.509 18.485 19.000 -0.009 0.000 0.810 5054 A HN 0.517 nan 8.150 nan 0.000 0.445 5055 L N -1.057 120.156 121.223 -0.016 0.000 2.549 5055 L HA -0.053 4.286 4.340 -0.002 0.000 0.229 5055 L C 0.194 177.053 176.870 -0.019 0.000 1.158 5055 L CA 0.467 55.296 54.840 -0.018 0.000 0.842 5055 L CB -0.361 41.684 42.059 -0.022 0.000 0.952 5055 L HN 0.360 nan 8.230 nan 0.000 0.452 5056 K N -0.412 119.977 120.400 -0.018 0.000 3.451 5056 K HA -0.166 4.153 4.320 -0.002 0.000 0.273 5056 K C -2.221 174.368 176.600 -0.019 0.000 0.944 5056 K CA -0.182 56.096 56.287 -0.014 0.000 0.734 5056 K CB -1.441 31.055 32.500 -0.006 0.000 1.437 5056 K HN 0.277 nan 8.250 nan 0.000 0.454 5057 P HA 0.026 nan 4.420 nan 0.000 0.275 5057 P C -0.215 177.056 177.300 -0.049 0.000 1.228 5057 P CA -0.028 63.040 63.100 -0.054 0.000 0.786 5057 P CB 0.786 32.436 31.700 -0.083 0.000 0.927 5058 D N 0.690 121.061 120.400 -0.048 0.000 2.327 5058 D HA 0.125 4.764 4.640 -0.002 0.000 0.205 5058 D C 0.290 176.480 176.300 -0.183 0.000 0.989 5058 D CA 0.862 54.859 54.000 -0.006 0.000 0.873 5058 D CB 0.415 41.304 40.800 0.148 0.000 0.955 5058 D HN 0.175 nan 8.370 nan 0.000 0.515 5059 L N 0.581 121.616 121.223 -0.313 0.000 2.565 5059 L HA 0.295 4.634 4.340 -0.002 0.000 0.261 5059 L C -1.722 174.933 176.870 -0.358 0.000 0.932 5059 L CA -0.646 53.893 54.840 -0.503 0.000 0.878 5059 L CB 2.381 43.804 42.059 -1.060 0.000 1.333 5059 L HN -0.362 nan 8.230 nan 0.000 0.409 5060 V N 5.967 125.690 119.914 -0.319 0.000 2.417 5060 V HA 0.491 4.610 4.120 -0.002 0.000 0.291 5060 V C 0.041 175.949 176.094 -0.310 0.000 1.024 5060 V CA -0.371 61.767 62.300 -0.269 0.000 0.861 5060 V CB 1.633 33.313 31.823 -0.238 0.000 0.985 5060 V HN 0.580 nan 8.190 nan 0.000 0.436 5061 I N 4.907 125.324 120.570 -0.256 0.000 2.287 5061 I HA 0.558 4.727 4.170 -0.002 0.000 0.290 5061 I C 0.687 176.680 176.117 -0.206 0.000 1.069 5061 I CA -0.007 61.157 61.300 -0.227 0.000 1.237 5061 I CB 0.994 38.897 38.000 -0.162 0.000 1.418 5061 I HN 0.682 nan 8.210 nan 0.000 0.481 5062 A N 6.514 129.138 122.820 -0.327 0.000 2.264 5062 A HA 0.511 4.830 4.320 -0.002 0.000 0.304 5062 A C -1.355 176.250 177.584 0.035 0.000 1.100 5062 A CA -0.354 51.478 52.037 -0.341 0.000 0.839 5062 A CB 0.849 19.197 19.000 -1.087 0.000 1.121 5062 A HN 0.739 nan 8.150 nan 0.000 0.496 5063 W N 2.421 123.711 121.300 -0.017 0.000 2.296 5063 W HA 0.500 5.158 4.660 -0.002 0.000 0.316 5063 W C 0.139 176.846 176.519 0.314 0.000 1.022 5063 W CA -1.496 55.921 57.345 0.120 0.000 1.324 5063 W CB 0.503 29.979 29.460 0.028 0.000 1.227 5063 W HN 0.737 nan 8.180 nan 0.000 0.409 5064 R N 3.912 124.743 120.500 0.552 0.000 2.449 5064 R HA 0.372 4.711 4.340 -0.002 0.000 0.296 5064 R C 1.395 177.598 176.300 -0.162 0.000 1.047 5064 R CA 1.841 58.073 56.100 0.219 0.000 1.018 5064 R CB 0.144 30.521 30.300 0.128 0.000 0.962 5064 R HN 1.012 nan 8.270 nan 0.000 0.428 5065 G N 2.537 111.178 108.800 -0.264 0.000 2.284 5065 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.247 5065 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.247 5065 G C 0.701 175.172 174.900 -0.715 0.000 1.012 5065 G CA 0.335 45.206 45.100 -0.380 0.000 0.618 5065 G HN 0.803 nan 8.290 nan 0.000 0.521 5066 G N 0.282 108.342 108.800 -1.233 0.000 2.497 5066 G HA2 0.224 4.183 3.960 -0.002 0.000 0.210 5066 G HA3 0.224 4.183 3.960 -0.002 0.000 0.210 5066 G C 0.597 175.131 174.900 -0.610 0.000 1.177 5066 G CA 0.698 44.748 45.100 -1.750 0.000 0.822 5066 G HN 0.505 nan 8.290 nan 0.000 0.550 5067 N N 1.045 119.603 118.700 -0.237 0.000 2.515 5067 N HA 0.470 5.209 4.740 -0.002 0.000 0.279 5067 N C -0.087 175.443 175.510 0.034 0.000 1.164 5067 N CA -0.160 52.888 53.050 -0.004 0.000 0.982 5067 N CB 1.567 40.106 38.487 0.087 0.000 1.170 5067 N HN 0.222 nan 8.380 nan 0.000 0.474 5068 A N 1.478 124.317 122.820 0.031 0.000 2.451 5068 A HA 0.078 4.396 4.320 -0.002 0.000 0.266 5068 A C 1.284 178.938 177.584 0.116 0.000 1.119 5068 A CA -0.303 51.752 52.037 0.030 0.000 0.786 5068 A CB 0.142 19.139 19.000 -0.005 0.000 1.061 5068 A HN 0.615 nan 8.150 nan 0.000 0.503 5069 E N 2.448 122.710 120.200 0.104 0.000 2.070 5069 E HA -0.256 4.093 4.350 -0.002 0.000 0.197 5069 E C 1.942 178.618 176.600 0.127 0.000 1.004 5069 E CA 1.621 58.108 56.400 0.145 0.000 0.805 5069 E CB -0.201 29.487 29.700 -0.020 0.000 0.744 5069 E HN 0.845 nan 8.360 nan 0.000 0.451 5070 R N 0.957 121.490 120.500 0.055 0.000 2.103 5070 R HA -0.208 4.131 4.340 -0.002 0.000 0.242 5070 R C 2.349 178.676 176.300 0.044 0.000 1.142 5070 R CA 1.851 57.973 56.100 0.037 0.000 0.960 5070 R CB 0.007 30.312 30.300 0.008 0.000 0.858 5070 R HN 0.264 nan 8.270 nan 0.000 0.439 5071 Q N -0.572 119.255 119.800 0.044 0.000 2.020 5071 Q HA -0.098 4.241 4.340 -0.002 0.000 0.198 5071 Q C 2.208 178.229 176.000 0.036 0.000 0.974 5071 Q CA 1.684 57.503 55.803 0.028 0.000 0.829 5071 Q CB 0.046 28.792 28.738 0.013 0.000 0.894 5071 Q HN 0.200 nan 8.270 nan 0.000 0.433 5072 V N 1.824 121.781 119.914 0.072 0.000 2.343 5072 V HA -0.230 3.889 4.120 -0.002 0.000 0.247 5072 V C 1.427 177.575 176.094 0.090 0.000 1.051 5072 V CA 1.869 64.191 62.300 0.037 0.000 1.036 5072 V CB -0.569 31.245 31.823 -0.015 0.000 0.654 5072 V HN 0.291 nan 8.190 nan 0.000 0.451 5073 D N -0.231 120.268 120.400 0.165 0.000 2.265 5073 D HA -0.173 4.466 4.640 -0.002 0.000 0.208 5073 D C 2.302 178.644 176.300 0.070 0.000 0.977 5073 D CA 0.949 55.033 54.000 0.139 0.000 0.871 5073 D CB -0.207 40.666 40.800 0.121 0.000 0.925 5073 D HN 0.532 nan 8.370 nan 0.000 0.485 5074 Q N -0.237 119.590 119.800 0.044 0.000 2.167 5074 Q HA -0.050 4.289 4.340 -0.002 0.000 0.202 5074 Q C 2.352 178.359 176.000 0.012 0.000 0.970 5074 Q CA 0.533 56.349 55.803 0.022 0.000 0.855 5074 Q CB 0.022 28.766 28.738 0.011 0.000 0.911 5074 Q HN 0.359 nan 8.270 nan 0.000 0.438 5075 L N -0.021 121.203 121.223 0.003 0.000 2.046 5075 L HA -0.187 4.152 4.340 -0.002 0.000 0.208 5075 L C 2.510 179.378 176.870 -0.003 0.000 1.077 5075 L CA 0.985 55.815 54.840 -0.016 0.000 0.747 5075 L CB -0.648 41.380 42.059 -0.051 0.000 0.896 5075 L HN 0.202 nan 8.230 nan 0.000 0.432 5076 A N -0.619 122.212 122.820 0.018 0.000 1.940 5076 A HA -0.249 4.070 4.320 -0.002 0.000 0.219 5076 A C 2.552 180.152 177.584 0.027 0.000 1.176 5076 A CA 2.030 54.087 52.037 0.033 0.000 0.631 5076 A CB -0.672 18.370 19.000 0.069 0.000 0.814 5076 A HN 0.412 nan 8.150 nan 0.000 0.446 5077 S N -0.449 115.266 115.700 0.025 0.000 2.399 5077 S HA -0.033 4.436 4.470 -0.002 0.000 0.231 5077 S C 1.450 176.058 174.600 0.012 0.000 1.022 5077 S CA 1.218 59.429 58.200 0.019 0.000 0.983 5077 S CB -0.422 62.788 63.200 0.017 0.000 0.803 5077 S HN 0.481 nan 8.310 nan 0.000 0.480 5078 L N 0.938 122.165 121.223 0.007 0.000 2.653 5078 L HA 0.335 4.674 4.340 -0.002 0.000 0.232 5078 L C 1.594 178.466 176.870 0.003 0.000 1.169 5078 L CA 0.252 55.094 54.840 0.003 0.000 0.951 5078 L CB -0.562 41.496 42.059 -0.003 0.000 1.181 5078 L HN 0.525 nan 8.230 nan 0.000 0.460 5079 G N 1.036 109.841 108.800 0.008 0.000 2.153 5079 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.252 5079 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.252 5079 G C 0.194 175.097 174.900 0.005 0.000 0.994 5079 G CA -0.057 45.050 45.100 0.011 0.000 0.698 5079 G HN 0.360 nan 8.290 nan 0.000 0.521 5080 I N 0.835 121.400 120.570 -0.008 0.000 2.325 5080 I HA 0.232 4.401 4.170 -0.002 0.000 0.291 5080 I C 0.817 176.908 176.117 -0.043 0.000 1.019 5080 I CA -0.558 60.724 61.300 -0.029 0.000 1.302 5080 I CB 1.038 39.010 38.000 -0.046 0.000 1.401 5080 I HN -0.037 nan 8.210 nan 0.000 0.485 5081 K N 5.086 125.455 120.400 -0.052 0.000 2.368 5081 K HA 0.382 4.701 4.320 -0.002 0.000 0.282 5081 K C -0.505 176.002 176.600 -0.155 0.000 1.035 5081 K CA -0.196 56.050 56.287 -0.068 0.000 0.973 5081 K CB 1.203 33.679 32.500 -0.039 0.000 0.957 5081 K HN 0.340 nan 8.250 nan 0.000 0.474 5085 V N 2.668 122.763 119.914 0.301 0.000 2.483 5085 V HA 0.510 4.629 4.120 -0.002 0.000 0.295 5085 V C -0.535 175.739 176.094 0.300 0.000 1.035 5085 V CA -0.272 62.158 62.300 0.217 0.000 0.896 5085 V CB 1.906 33.794 31.823 0.108 0.000 0.986 5085 V HN 0.476 nan 8.190 nan 0.000 0.447 5086 D N 3.203 123.736 120.400 0.222 0.000 3.060 5086 D HA 0.370 5.009 4.640 -0.002 0.000 0.326 5086 D C 0.101 176.491 176.300 0.151 0.000 1.253 5086 D CA -0.197 53.944 54.000 0.235 0.000 0.737 5086 D CB 0.678 41.590 40.800 0.186 0.000 1.260 5086 D HN 0.756 nan 8.370 nan 0.000 0.542 5087 A N 0.582 123.465 122.820 0.106 0.000 2.484 5087 A HA 0.440 4.759 4.320 -0.002 0.000 0.268 5087 A C 1.267 178.890 177.584 0.064 0.000 1.114 5087 A CA 0.351 52.421 52.037 0.055 0.000 0.780 5087 A CB 0.072 19.075 19.000 0.005 0.000 1.061 5087 A HN 0.406 nan 8.150 nan 0.000 0.505 5088 T N -0.940 113.650 114.554 0.061 0.000 3.132 5088 T HA 0.447 4.796 4.350 -0.002 0.000 0.274 5088 T C 0.249 174.967 174.700 0.031 0.000 1.011 5088 T CA 0.381 62.523 62.100 0.070 0.000 0.899 5088 T CB -0.708 68.213 68.868 0.089 0.000 1.089 5088 T HN 1.404 nan 8.240 nan 0.000 0.543 5089 S N -0.157 115.540 115.700 -0.005 0.000 2.565 5089 S HA 0.576 5.045 4.470 -0.002 0.000 0.269 5089 S C 0.452 174.981 174.600 -0.119 0.000 1.153 5089 S CA -0.972 57.196 58.200 -0.054 0.000 0.835 5089 S CB 0.805 63.988 63.200 -0.028 0.000 1.122 5089 S HN -0.107 nan 8.310 nan 0.000 0.462 5090 I N 1.371 121.784 120.570 -0.262 0.000 2.286 5090 I HA -0.112 4.057 4.170 -0.002 0.000 0.248 5090 I C 2.302 178.303 176.117 -0.193 0.000 1.115 5090 I CA 1.630 62.728 61.300 -0.337 0.000 1.392 5090 I CB -1.732 35.773 38.000 -0.825 0.000 1.065 5090 I HN 0.777 nan 8.210 nan 0.000 0.418 5091 E N 0.686 120.799 120.200 -0.144 0.000 2.110 5091 E HA -0.219 4.130 4.350 -0.002 0.000 0.193 5091 E C 2.219 178.810 176.600 -0.015 0.000 0.988 5091 E CA 1.026 57.404 56.400 -0.037 0.000 0.804 5091 E CB -0.264 29.443 29.700 0.011 0.000 0.745 5091 E HN 0.539 nan 8.360 nan 0.000 0.458 5092 Q N -0.208 119.581 119.800 -0.018 0.000 2.230 5092 Q HA -0.027 4.312 4.340 -0.002 0.000 0.202 5092 Q C 2.092 178.092 176.000 0.000 0.000 0.963 5092 Q CA 0.744 56.550 55.803 0.005 0.000 0.866 5092 Q CB 0.038 28.787 28.738 0.017 0.000 0.931 5092 Q HN 0.348 nan 8.270 nan 0.000 0.452 5093 I N 0.361 120.916 120.570 -0.025 0.000 2.202 5093 I HA -0.246 3.923 4.170 -0.002 0.000 0.242 5093 I C 2.380 178.492 176.117 -0.009 0.000 1.091 5093 I CA 0.881 62.166 61.300 -0.025 0.000 1.368 5093 I CB -0.415 37.555 38.000 -0.050 0.000 1.058 5093 I HN 0.166 nan 8.210 nan 0.000 0.410 5094 A N 0.882 123.695 122.820 -0.011 0.000 1.908 5094 A HA -0.281 4.038 4.320 -0.002 0.000 0.218 5094 A C 2.177 179.774 177.584 0.021 0.000 1.181 5094 A CA 2.172 54.213 52.037 0.008 0.000 0.627 5094 A CB -1.017 17.991 19.000 0.012 0.000 0.818 5094 A HN 0.546 nan 8.150 nan 0.000 0.445 5095 N N 0.243 118.957 118.700 0.023 0.000 2.166 5095 N HA -0.134 4.605 4.740 -0.002 0.000 0.186 5095 N C 1.921 177.456 175.510 0.042 0.000 1.019 5095 N CA 1.376 54.446 53.050 0.034 0.000 0.856 5095 N CB -0.208 38.301 38.487 0.036 0.000 0.993 5095 N HN 0.379 nan 8.380 nan 0.000 0.426 5096 A N 1.510 124.352 122.820 0.037 0.000 1.933 5096 A HA -0.053 4.266 4.320 -0.002 0.000 0.218 5096 A C 2.390 180.001 177.584 0.045 0.000 1.175 5096 A CA 0.747 52.809 52.037 0.042 0.000 0.628 5096 A CB -0.616 18.401 19.000 0.029 0.000 0.814 5096 A HN 0.321 nan 8.150 nan 0.000 0.444 5097 L N -1.091 120.154 121.223 0.037 0.000 2.046 5097 L HA -0.186 4.153 4.340 -0.002 0.000 0.208 5097 L C 2.851 179.753 176.870 0.053 0.000 1.077 5097 L CA 1.427 56.292 54.840 0.041 0.000 0.747 5097 L CB -0.452 41.627 42.059 0.033 0.000 0.896 5097 L HN 0.348 nan 8.230 nan 0.000 0.432 5098 R N -0.563 119.966 120.500 0.050 0.000 2.092 5098 R HA -0.131 4.208 4.340 -0.002 0.000 0.231 5098 R C 2.272 178.614 176.300 0.070 0.000 1.119 5098 R CA 0.852 56.983 56.100 0.051 0.000 0.970 5098 R CB -0.179 30.147 30.300 0.042 0.000 0.864 5098 R HN 0.392 nan 8.270 nan 0.000 0.440 5099 Q N 0.461 120.313 119.800 0.086 0.000 2.297 5099 Q HA -0.045 4.294 4.340 -0.002 0.000 0.204 5099 Q C 2.061 178.187 176.000 0.210 0.000 0.962 5099 Q CA 0.984 56.864 55.803 0.128 0.000 0.879 5099 Q CB 0.096 28.905 28.738 0.118 0.000 0.947 5099 Q HN 0.396 nan 8.270 nan 0.000 0.462 5100 L N -0.175 121.151 121.223 0.172 0.000 2.341 5100 L HA 0.002 4.341 4.340 -0.002 0.000 0.214 5100 L C 2.324 179.329 176.870 0.225 0.000 1.115 5100 L CA 0.480 55.457 54.840 0.228 0.000 0.820 5100 L CB -0.473 41.649 42.059 0.105 0.000 0.944 5100 L HN 0.064 nan 8.230 nan 0.000 0.452 5101 A N 1.322 124.216 122.820 0.124 0.000 1.896 5101 A HA -0.203 4.116 4.320 -0.002 0.000 0.220 5101 A C -0.145 177.456 177.584 0.027 0.000 1.206 5101 A CA 2.117 54.193 52.037 0.065 0.000 0.647 5101 A CB -1.930 17.091 19.000 0.034 0.000 0.828 5101 A HN 0.278 nan 8.150 nan 0.000 0.455 5102 P HA -0.119 nan 4.420 nan 0.000 0.225 5102 P C 0.403 177.515 177.300 -0.314 0.000 1.148 5102 P CA 1.058 64.026 63.100 -0.219 0.000 0.779 5102 P CB -0.135 31.354 31.700 -0.353 0.000 0.780 5103 W N -1.241 120.046 121.300 -0.022 0.000 3.278 5103 W HA 0.289 4.950 4.660 0.001 0.000 0.308 5103 W C 0.885 177.379 176.519 -0.042 0.000 1.253 5103 W CA -0.085 57.241 57.345 -0.031 0.000 1.759 5103 W CB 0.075 29.514 29.460 -0.035 0.000 1.093 5103 W HN -0.191 nan 8.180 nan 0.000 0.648 5104 S N 1.482 117.256 115.700 0.124 0.000 2.565 5104 S HA 0.309 4.778 4.470 -0.002 0.000 0.290 5104 S C -1.196 173.415 174.600 0.018 0.000 1.150 5104 S CA -1.621 56.614 58.200 0.058 0.000 1.058 5104 S CB 1.370 64.596 63.200 0.043 0.000 1.032 5104 S HN -0.128 nan 8.310 nan 0.000 0.510 5105 P HA 0.095 nan 4.420 nan 0.000 0.249 5105 P C -0.386 176.911 177.300 -0.006 0.000 1.229 5105 P CA 0.429 63.526 63.100 -0.005 0.000 0.788 5105 P CB 0.040 31.734 31.700 -0.010 0.000 1.072 5106 Q N 0.829 120.628 119.800 -0.001 0.000 3.825 5106 Q HA 0.186 4.525 4.340 -0.002 0.000 0.218 5106 Q C -2.023 173.981 176.000 0.007 0.000 0.882 5106 Q CA -1.422 54.382 55.803 0.002 0.000 0.766 5106 Q CB 1.420 30.160 28.738 0.004 0.000 1.497 5106 Q HN -0.036 nan 8.270 nan 0.000 0.428 5107 P HA -0.171 nan 4.420 nan 0.000 0.219 5107 P C 0.244 177.550 177.300 0.011 0.000 1.146 5107 P CA 0.992 64.096 63.100 0.007 0.000 0.808 5107 P CB 0.465 32.161 31.700 -0.006 0.000 0.779 5108 D N 0.389 120.793 120.400 0.008 0.000 2.178 5108 D HA -0.143 4.496 4.640 -0.002 0.000 0.202 5108 D C 2.005 178.314 176.300 0.016 0.000 0.974 5108 D CA 1.049 55.056 54.000 0.010 0.000 0.841 5108 D CB -0.227 40.578 40.800 0.007 0.000 0.953 5108 D HN 0.311 nan 8.370 nan 0.000 0.478 5109 K N 0.942 121.353 120.400 0.018 0.000 2.057 5109 K HA -0.092 4.227 4.320 -0.002 0.000 0.207 5109 K C 2.041 178.659 176.600 0.029 0.000 1.049 5109 K CA 1.205 57.507 56.287 0.024 0.000 0.931 5109 K CB 0.026 32.542 32.500 0.026 0.000 0.714 5109 K HN -0.014 nan 8.250 nan 0.000 0.440 5110 A N 1.521 124.358 122.820 0.029 0.000 1.877 5110 A HA -0.162 4.157 4.320 -0.002 0.000 0.216 5110 A C 1.916 179.519 177.584 0.032 0.000 1.186 5110 A CA 1.593 53.651 52.037 0.035 0.000 0.620 5110 A CB -0.465 18.559 19.000 0.040 0.000 0.822 5110 A HN 0.360 nan 8.150 nan 0.000 0.443 5111 E N 0.061 120.277 120.200 0.026 0.000 2.077 5111 E HA -0.208 4.141 4.350 -0.002 0.000 0.193 5111 E C 2.151 178.766 176.600 0.024 0.000 0.989 5111 E CA 1.407 57.821 56.400 0.024 0.000 0.800 5111 E CB -0.430 29.281 29.700 0.018 0.000 0.746 5111 E HN 0.790 nan 8.360 nan 0.000 0.452 5112 Q N 0.107 119.920 119.800 0.023 0.000 2.172 5112 Q HA 0.005 4.344 4.340 -0.002 0.000 0.200 5112 Q C 2.131 178.146 176.000 0.025 0.000 0.964 5112 Q CA 1.091 56.907 55.803 0.022 0.000 0.855 5112 Q CB -0.072 28.678 28.738 0.020 0.000 0.918 5112 Q HN 0.209 nan 8.270 nan 0.000 0.444 5113 A N 1.065 123.902 122.820 0.028 0.000 1.930 5113 A HA -0.074 4.245 4.320 -0.002 0.000 0.217 5113 A C 2.252 179.852 177.584 0.026 0.000 1.175 5113 A CA 1.468 53.522 52.037 0.029 0.000 0.627 5113 A CB -0.587 18.434 19.000 0.035 0.000 0.815 5113 A HN 0.377 nan 8.150 nan 0.000 0.443 5114 A N -1.007 121.830 122.820 0.027 0.000 1.873 5114 A HA -0.142 4.177 4.320 -0.002 0.000 0.215 5114 A C 2.157 179.759 177.584 0.031 0.000 1.186 5114 A CA 1.986 54.039 52.037 0.027 0.000 0.616 5114 A CB -0.508 18.509 19.000 0.029 0.000 0.823 5114 A HN 0.486 nan 8.150 nan 0.000 0.442 5115 Q N 0.857 120.675 119.800 0.030 0.000 2.084 5115 Q HA -0.142 4.197 4.340 -0.002 0.000 0.202 5115 Q C 2.268 178.290 176.000 0.036 0.000 0.978 5115 Q CA 2.520 58.343 55.803 0.033 0.000 0.844 5115 Q CB -0.493 28.262 28.738 0.027 0.000 0.898 5115 Q HN 0.748 nan 8.270 nan 0.000 0.426 5116 S N -0.373 115.346 115.700 0.030 0.000 2.383 5116 S HA -0.141 4.328 4.470 -0.002 0.000 0.227 5116 S C 1.839 176.461 174.600 0.037 0.000 1.026 5116 S CA 1.078 59.296 58.200 0.029 0.000 0.981 5116 S CB -0.675 62.538 63.200 0.021 0.000 0.818 5116 S HN 0.399 nan 8.310 nan 0.000 0.472 5117 L N 1.577 122.821 121.223 0.035 0.000 2.046 5117 L HA 0.137 4.476 4.340 -0.002 0.000 0.208 5117 L C 2.237 179.158 176.870 0.086 0.000 1.077 5117 L CA 1.490 56.353 54.840 0.039 0.000 0.747 5117 L CB -0.828 41.239 42.059 0.012 0.000 0.896 5117 L HN 0.359 nan 8.230 nan 0.000 0.432 5118 L N -0.767 120.507 121.223 0.086 0.000 2.056 5118 L HA -0.184 4.155 4.340 -0.002 0.000 0.207 5118 L C 2.278 179.229 176.870 0.135 0.000 1.078 5118 L CA 1.192 56.113 54.840 0.134 0.000 0.749 5118 L CB -0.818 41.298 42.059 0.096 0.000 0.901 5118 L HN 0.270 nan 8.230 nan 0.000 0.433 5119 D N -0.093 120.357 120.400 0.083 0.000 2.097 5119 D HA -0.201 4.438 4.640 -0.002 0.000 0.195 5119 D C 2.296 178.633 176.300 0.062 0.000 0.989 5119 D CA 1.267 55.302 54.000 0.058 0.000 0.827 5119 D CB -0.203 40.621 40.800 0.039 0.000 0.966 5119 D HN 0.401 nan 8.370 nan 0.000 0.456 5120 Q N -0.831 119.014 119.800 0.075 0.000 2.119 5120 Q HA -0.172 4.167 4.340 -0.002 0.000 0.201 5120 Q C 2.030 178.101 176.000 0.119 0.000 0.972 5120 Q CA 0.856 56.704 55.803 0.074 0.000 0.847 5120 Q CB -0.178 28.594 28.738 0.057 0.000 0.903 5120 Q HN 0.358 nan 8.270 nan 0.000 0.433 5121 Y N 1.165 121.477 120.300 0.020 0.000 2.163 5121 Y HA -0.186 4.363 4.550 -0.002 0.000 0.288 5121 Y C 2.252 178.175 175.900 0.039 0.000 1.136 5121 Y CA 1.206 59.325 58.100 0.030 0.000 1.147 5121 Y CB -0.642 37.834 38.460 0.027 0.000 0.987 5121 Y HN 0.060 nan 8.280 nan 0.000 0.509 5122 A N 0.086 122.852 122.820 -0.090 0.000 1.908 5122 A HA -0.291 4.028 4.320 -0.002 0.000 0.218 5122 A C 2.194 179.706 177.584 -0.120 0.000 1.181 5122 A CA 2.057 53.995 52.037 -0.164 0.000 0.627 5122 A CB -0.987 17.987 19.000 -0.042 0.000 0.818 5122 A HN 0.596 nan 8.150 nan 0.000 0.445 5123 Q N -0.565 119.207 119.800 -0.046 0.000 2.061 5123 Q HA -0.163 4.176 4.340 -0.002 0.000 0.204 5123 Q C 1.836 177.829 176.000 -0.013 0.000 0.984 5123 Q CA 1.950 57.739 55.803 -0.023 0.000 0.846 5123 Q CB -0.561 28.180 28.738 0.006 0.000 0.902 5123 Q HN 0.477 nan 8.270 nan 0.000 0.421 5124 L N 0.624 121.854 121.223 0.012 0.000 2.012 5124 L HA -0.165 4.174 4.340 -0.002 0.000 0.210 5124 L C 2.058 178.982 176.870 0.091 0.000 1.073 5124 L CA 1.992 56.894 54.840 0.104 0.000 0.748 5124 L CB -0.497 41.630 42.059 0.114 0.000 0.891 5124 L HN 0.182 nan 8.230 nan 0.000 0.431 5125 K N -1.004 119.342 120.400 -0.091 0.000 2.103 5125 K HA -0.168 4.151 4.320 -0.002 0.000 0.207 5125 K C 2.005 178.579 176.600 -0.042 0.000 1.048 5125 K CA 1.350 57.576 56.287 -0.102 0.000 0.930 5125 K CB -0.315 32.024 32.500 -0.268 0.000 0.716 5125 K HN 0.496 nan 8.250 nan 0.000 0.444 5126 A N 0.865 123.648 122.820 -0.061 0.000 1.969 5126 A HA -0.201 4.118 4.320 -0.002 0.000 0.218 5126 A C 1.955 179.487 177.584 -0.086 0.000 1.169 5126 A CA 1.261 53.262 52.037 -0.061 0.000 0.635 5126 A CB -0.321 18.644 19.000 -0.059 0.000 0.810 5126 A HN 0.355 nan 8.150 nan 0.000 0.445 5127 Q N -2.410 117.322 119.800 -0.113 0.000 2.389 5127 Q HA -0.037 4.302 4.340 -0.002 0.000 0.204 5127 Q C 0.222 175.880 176.000 -0.570 0.000 0.944 5127 Q CA 0.906 56.516 55.803 -0.322 0.000 0.908 5127 Q CB 0.086 28.605 28.738 -0.366 0.000 1.002 5127 Q HN 0.818 nan 8.270 nan 0.000 0.493 5128 Y N -2.680 117.603 120.300 -0.027 0.000 2.672 5128 Y HA 0.395 4.944 4.550 -0.002 0.000 0.252 5128 Y C 1.292 177.181 175.900 -0.018 0.000 1.132 5128 Y CA 0.069 58.159 58.100 -0.017 0.000 1.228 5128 Y CB 0.621 39.076 38.460 -0.009 0.000 1.310 5128 Y HN 0.115 nan 8.280 nan 0.000 0.549 5129 A N 0.216 123.076 122.820 0.068 0.000 2.216 5129 A HA -0.110 4.209 4.320 -0.002 0.000 0.214 5129 A C 0.994 178.594 177.584 0.028 0.000 1.160 5129 A CA 1.532 53.592 52.037 0.039 0.000 0.725 5129 A CB -0.463 18.539 19.000 0.004 0.000 0.784 5129 A HN 0.398 nan 8.150 nan 0.000 0.472 5130 D N -0.513 119.898 120.400 0.019 0.000 2.722 5130 D HA 0.150 4.789 4.640 -0.002 0.000 0.239 5130 D C -0.351 175.965 176.300 0.027 0.000 1.249 5130 D CA -0.108 53.897 54.000 0.009 0.000 0.830 5130 D CB 0.103 40.893 40.800 -0.017 0.000 1.025 5130 D HN -0.048 nan 8.370 nan 0.000 0.486 5131 K N 1.329 121.761 120.400 0.053 0.000 2.221 5131 K HA 0.461 4.780 4.320 -0.002 0.000 0.258 5131 K C -2.561 174.064 176.600 0.041 0.000 0.944 5131 K CA -1.864 54.460 56.287 0.061 0.000 0.823 5131 K CB 1.573 34.137 32.500 0.106 0.000 1.113 5131 K HN -0.002 nan 8.250 nan 0.000 0.431 5132 P HA 0.033 nan 4.420 nan 0.000 0.268 5132 P C -0.528 176.784 177.300 0.020 0.000 1.204 5132 P CA -0.316 62.796 63.100 0.020 0.000 0.768 5132 P CB 0.346 32.054 31.700 0.014 0.000 0.842 5133 K N 2.596 123.005 120.400 0.016 0.000 2.447 5133 K HA 0.159 4.478 4.320 -0.002 0.000 0.281 5133 K C -0.537 176.067 176.600 0.007 0.000 1.031 5133 K CA 0.061 56.356 56.287 0.014 0.000 1.019 5133 K CB 0.358 32.865 32.500 0.013 0.000 0.918 5133 K HN 0.304 nan 8.250 nan 0.000 0.476 5134 K N 3.808 124.212 120.400 0.007 0.000 2.376 5134 K HA 0.250 4.569 4.320 -0.002 0.000 0.257 5134 K C -0.700 175.900 176.600 0.000 0.000 0.939 5134 K CA -0.820 55.468 56.287 0.000 0.000 0.809 5134 K CB 1.959 34.458 32.500 -0.001 0.000 1.121 5134 K HN 0.470 nan 8.250 nan 0.000 0.425 5135 R N 1.683 122.178 120.500 -0.009 0.000 2.484 5135 R HA 0.151 4.490 4.340 -0.002 0.000 0.293 5135 R C -0.400 175.903 176.300 0.006 0.000 1.023 5135 R CA -0.071 56.023 56.100 -0.011 0.000 1.037 5135 R CB 0.340 30.618 30.300 -0.037 0.000 0.951 5135 R HN 0.234 nan 8.270 nan 0.000 0.418 5136 V N 4.793 124.729 119.914 0.037 0.000 2.656 5136 V HA 0.300 4.419 4.120 -0.002 0.000 0.307 5136 V C -0.889 175.313 176.094 0.179 0.000 1.051 5136 V CA -0.858 61.485 62.300 0.073 0.000 0.893 5136 V CB 1.860 33.711 31.823 0.047 0.000 0.999 5136 V HN 0.514 nan 8.190 nan 0.000 0.426 5137 F N 5.612 125.576 119.950 0.023 0.000 2.388 5137 F HA 0.602 5.127 4.527 -0.002 0.000 0.358 5137 F C -0.429 175.445 175.800 0.123 0.000 1.122 5137 F CA -1.406 56.663 58.000 0.115 0.000 1.056 5137 F CB 0.930 39.987 39.000 0.095 0.000 1.155 5137 F HN 0.326 nan 8.300 nan 0.000 0.461 5138 L N 6.762 127.928 121.223 -0.096 0.000 2.334 5138 L HA 0.293 4.632 4.340 -0.002 0.000 0.286 5138 L C -0.002 176.466 176.870 -0.670 0.000 1.108 5138 L CA -0.190 54.495 54.840 -0.258 0.000 0.875 5138 L CB 0.521 42.680 42.059 0.167 0.000 1.246 5138 L HN 0.626 nan 8.230 nan 0.000 0.439 5139 Q N 3.347 122.564 119.800 -0.971 0.000 2.296 5139 Q HA 0.363 4.702 4.340 -0.002 0.000 0.257 5139 Q C -1.406 174.320 176.000 -0.456 0.000 0.942 5139 Q CA -0.487 54.853 55.803 -0.772 0.000 0.939 5139 Q CB 0.785 29.175 28.738 -0.580 0.000 1.198 5139 Q HN 0.391 nan 8.270 nan 0.000 0.429 5140 F N 3.474 123.417 119.950 -0.011 0.000 2.325 5140 F HA 0.578 5.104 4.527 -0.002 0.000 0.369 5140 F C 0.812 176.651 175.800 0.066 0.000 1.095 5140 F CA 0.239 58.281 58.000 0.070 0.000 1.082 5140 F CB 1.478 40.580 39.000 0.170 0.000 1.289 5140 F HN 0.835 nan 8.300 nan 0.000 0.462 5141 G N 2.484 111.346 108.800 0.104 0.000 2.757 5141 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.638 5141 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.638 5141 G C 0.162 175.024 174.900 -0.063 0.000 1.344 5141 G CA -0.350 44.776 45.100 0.043 0.000 0.855 5141 G HN 0.981 nan 8.290 nan 0.000 0.537 5142 I N -2.149 118.347 120.570 -0.123 0.000 4.154 5142 I HA 0.384 4.553 4.170 -0.002 0.000 0.334 5142 I C 0.341 176.327 176.117 -0.219 0.000 1.371 5142 I CA 0.147 61.233 61.300 -0.357 0.000 1.110 5142 I CB 0.138 37.949 38.000 -0.315 0.000 1.085 5142 I HN 0.549 nan 8.210 nan 0.000 0.398 5143 N N 0.795 119.478 118.700 -0.028 0.000 2.540 5143 N HA 0.512 5.251 4.740 -0.002 0.000 0.275 5143 N C -2.742 172.852 175.510 0.140 0.000 1.053 5143 N CA -1.399 51.683 53.050 0.054 0.000 0.876 5143 N CB 2.077 40.609 38.487 0.075 0.000 1.284 5143 N HN -0.177 nan 8.380 nan 0.000 0.518 5144 P HA 0.271 nan 4.420 nan 0.000 0.280 5144 P C -2.485 174.819 177.300 0.008 0.000 1.431 5144 P CA -0.512 62.589 63.100 0.002 0.000 1.058 5144 P CB 0.501 32.182 31.700 -0.031 0.000 1.521 5145 P HA 0.327 nan 4.420 nan 0.000 0.346 5145 P C -0.677 176.650 177.300 0.044 0.000 1.263 5145 P CA -0.509 62.629 63.100 0.064 0.000 0.777 5145 P CB 1.323 33.059 31.700 0.059 0.000 1.541 5146 F N -2.202 117.844 119.950 0.160 0.000 2.579 5146 F HA 0.620 5.146 4.527 -0.002 0.000 0.324 5146 F C 0.964 176.940 175.800 0.292 0.000 1.058 5146 F CA 0.032 58.141 58.000 0.182 0.000 0.944 5146 F CB 2.148 41.251 39.000 0.171 0.000 1.245 5146 F HN 0.203 nan 8.300 nan 0.000 0.477 5147 T N -0.364 114.425 114.554 0.392 0.000 2.681 5147 T HA 0.533 4.882 4.350 -0.002 0.000 0.296 5147 T C -1.496 173.149 174.700 -0.091 0.000 1.157 5147 T CA -0.519 61.769 62.100 0.313 0.000 1.025 5147 T CB 1.580 70.588 68.868 0.234 0.000 1.441 5147 T HN 0.603 nan 8.240 nan 0.000 0.504 5148 S N -0.481 115.037 115.700 -0.302 0.000 2.532 5148 S HA 0.779 5.248 4.470 -0.002 0.000 0.301 5148 S C 0.451 174.810 174.600 -0.401 0.000 1.083 5148 S CA 0.019 57.667 58.200 -0.920 0.000 1.025 5148 S CB 0.956 63.386 63.200 -1.282 0.000 1.056 5148 S HN 1.044 nan 8.310 nan 0.000 0.494 5149 G N 1.844 110.379 108.800 -0.442 0.000 2.509 5149 G HA2 0.275 4.234 3.960 -0.002 0.000 0.269 5149 G HA3 0.275 4.234 3.960 -0.002 0.000 0.269 5149 G C 0.633 175.453 174.900 -0.134 0.000 1.416 5149 G CA -0.267 44.735 45.100 -0.164 0.000 1.052 5149 G HN 0.875 nan 8.290 nan 0.000 0.542 5150 K N -0.760 119.610 120.400 -0.050 0.000 2.288 5150 K HA 0.081 4.400 4.320 -0.002 0.000 0.201 5150 K C 0.252 176.841 176.600 -0.020 0.000 1.048 5150 K CA 0.820 57.096 56.287 -0.019 0.000 0.956 5150 K CB 0.264 32.770 32.500 0.011 0.000 0.746 5150 K HN 0.138 nan 8.250 nan 0.000 0.461 5151 E N 2.485 122.665 120.200 -0.033 0.000 2.110 5151 E HA 0.082 4.431 4.350 -0.002 0.000 0.300 5151 E C -0.774 175.854 176.600 0.047 0.000 1.278 5151 E CA 0.018 56.426 56.400 0.013 0.000 1.365 5151 E CB 0.464 30.183 29.700 0.032 0.000 1.283 5151 E HN 0.447 nan 8.360 nan 0.000 0.490 5152 S N -0.763 114.962 115.700 0.042 0.000 2.565 5152 S HA 0.351 4.820 4.470 -0.002 0.000 0.269 5152 S C 0.620 175.268 174.600 0.080 0.000 1.153 5152 S CA -0.844 57.428 58.200 0.119 0.000 0.835 5152 S CB 0.904 64.181 63.200 0.128 0.000 1.122 5152 S HN 0.246 nan 8.310 nan 0.000 0.462 5153 I N 1.030 121.651 120.570 0.085 0.000 2.493 5153 I HA -0.150 4.019 4.170 -0.002 0.000 0.254 5153 I C 2.103 178.240 176.117 0.032 0.000 1.160 5153 I CA 1.417 62.735 61.300 0.031 0.000 1.445 5153 I CB -0.109 37.887 38.000 -0.006 0.000 1.086 5153 I HN 0.787 nan 8.210 nan 0.000 0.433 5154 Q N 0.397 120.200 119.800 0.005 0.000 2.124 5154 Q HA -0.235 4.104 4.340 -0.002 0.000 0.202 5154 Q C 1.899 177.992 176.000 0.155 0.000 0.977 5154 Q CA 2.046 57.821 55.803 -0.047 0.000 0.850 5154 Q CB -0.459 28.177 28.738 -0.169 0.000 0.901 5154 Q HN 0.539 nan 8.270 nan 0.000 0.429 5155 N N -0.064 118.689 118.700 0.088 0.000 2.142 5155 N HA -0.198 4.540 4.740 -0.002 0.000 0.186 5155 N C 1.705 177.282 175.510 0.112 0.000 1.023 5155 N CA 1.227 54.334 53.050 0.094 0.000 0.852 5155 N CB -0.003 38.503 38.487 0.031 0.000 0.998 5155 N HN 0.262 nan 8.380 nan 0.000 0.424 5156 Q N -0.101 119.757 119.800 0.096 0.000 2.096 5156 Q HA -0.125 4.214 4.340 -0.002 0.000 0.204 5156 Q C 1.816 177.907 176.000 0.152 0.000 0.982 5156 Q CA 1.481 57.349 55.803 0.107 0.000 0.850 5156 Q CB -0.033 28.746 28.738 0.069 0.000 0.901 5156 Q HN 0.287 nan 8.270 nan 0.000 0.422 5157 V N 1.151 121.167 119.914 0.170 0.000 2.343 5157 V HA -0.267 3.852 4.120 -0.002 0.000 0.247 5157 V C 2.327 178.530 176.094 0.182 0.000 1.051 5157 V CA 1.570 63.997 62.300 0.212 0.000 1.036 5157 V CB -0.559 31.447 31.823 0.304 0.000 0.654 5157 V HN 0.417 nan 8.190 nan 0.000 0.451 5158 L N 0.293 121.632 121.223 0.194 0.000 2.017 5158 L HA -0.171 4.168 4.340 -0.002 0.000 0.208 5158 L C 2.380 179.304 176.870 0.089 0.000 1.073 5158 L CA 2.008 56.926 54.840 0.130 0.000 0.745 5158 L CB -0.750 41.401 42.059 0.154 0.000 0.894 5158 L HN 0.376 nan 8.230 nan 0.000 0.432 5159 E N -1.004 119.257 120.200 0.102 0.000 2.153 5159 E HA -0.177 4.172 4.350 -0.002 0.000 0.194 5159 E C 2.121 178.772 176.600 0.086 0.000 0.988 5159 E CA 1.356 57.807 56.400 0.085 0.000 0.811 5159 E CB -0.145 29.607 29.700 0.087 0.000 0.746 5159 E HN 0.423 nan 8.360 nan 0.000 0.466 5160 V N 0.502 120.485 119.914 0.115 0.000 2.626 5160 V HA -0.199 3.920 4.120 -0.002 0.000 0.252 5160 V C 1.792 177.922 176.094 0.061 0.000 1.067 5160 V CA 1.079 63.447 62.300 0.112 0.000 1.081 5160 V CB -0.126 31.821 31.823 0.207 0.000 0.686 5160 V HN 0.414 nan 8.190 nan 0.000 0.468 5161 c N 0.829 119.441 118.600 0.021 0.000 2.693 5161 c HA 0.544 5.113 4.570 -0.002 0.000 0.286 5161 c C 1.823 175.904 174.090 -0.016 0.000 1.277 5161 c CA 0.045 56.332 56.329 -0.070 0.000 1.705 5161 c CB -1.119 41.307 42.510 -0.139 0.000 1.879 5161 c HN 0.794 nan 8.230 nan 0.000 0.607 5162 G N 0.723 109.542 108.800 0.032 0.000 2.136 5162 G HA2 -0.057 3.902 3.960 -0.002 0.000 0.242 5162 G HA3 -0.057 3.902 3.960 -0.002 0.000 0.242 5162 G C 0.232 175.147 174.900 0.026 0.000 0.989 5162 G CA 0.025 45.147 45.100 0.038 0.000 0.682 5162 G HN 0.808 nan 8.290 nan 0.000 0.522 5163 G N -0.767 108.050 108.800 0.028 0.000 2.410 5163 G HA2 0.645 4.604 3.960 -0.002 0.000 0.330 5163 G HA3 0.645 4.604 3.960 -0.002 0.000 0.330 5163 G C -0.673 174.250 174.900 0.039 0.000 1.142 5163 G CA -0.138 44.979 45.100 0.028 0.000 0.902 5163 G HN 0.423 nan 8.290 nan 0.000 0.491 5164 E N 0.639 120.859 120.200 0.034 0.000 2.155 5164 E HA 0.202 4.551 4.350 -0.002 0.000 0.264 5164 E C -0.325 176.303 176.600 0.045 0.000 0.886 5164 E CA -0.772 55.648 56.400 0.033 0.000 0.752 5164 E CB 0.805 30.514 29.700 0.014 0.000 1.133 5164 E HN 0.361 nan 8.360 nan 0.000 0.414 5165 N N 4.938 123.676 118.700 0.064 0.000 2.416 5165 N HA -0.001 4.738 4.740 -0.002 0.000 0.265 5165 N C 1.129 176.675 175.510 0.060 0.000 1.195 5165 N CA 0.015 53.125 53.050 0.100 0.000 0.943 5165 N CB 0.431 38.986 38.487 0.114 0.000 1.115 5165 N HN 0.748 nan 8.380 nan 0.000 0.481 5166 I N 0.388 120.976 120.570 0.031 0.000 2.567 5166 I HA -0.074 4.095 4.170 -0.002 0.000 0.257 5166 I C 0.290 176.228 176.117 -0.299 0.000 1.184 5166 I CA 1.264 62.463 61.300 -0.168 0.000 1.451 5166 I CB -0.306 37.513 38.000 -0.301 0.000 1.089 5166 I HN 0.222 nan 8.210 nan 0.000 0.441 5167 F N 1.339 121.334 119.950 0.075 0.000 2.684 5167 F HA 0.312 4.838 4.527 -0.002 0.000 0.298 5167 F C 2.022 177.833 175.800 0.018 0.000 1.120 5167 F CA -0.382 57.649 58.000 0.051 0.000 1.332 5167 F CB 0.030 39.084 39.000 0.090 0.000 0.986 5167 F HN -0.057 nan 8.300 nan 0.000 0.524 5168 K N 0.705 121.182 120.400 0.128 0.000 2.113 5168 K HA -0.202 4.117 4.320 -0.002 0.000 0.208 5168 K C 0.704 177.338 176.600 0.058 0.000 1.047 5168 K CA 1.944 58.275 56.287 0.073 0.000 0.928 5168 K CB -0.037 32.490 32.500 0.044 0.000 0.716 5168 K HN 0.208 nan 8.250 nan 0.000 0.446 5169 D N 0.910 121.347 120.400 0.061 0.000 2.328 5169 D HA -0.033 4.606 4.640 -0.002 0.000 0.226 5169 D C 0.066 176.404 176.300 0.064 0.000 1.066 5169 D CA 0.169 54.198 54.000 0.049 0.000 0.861 5169 D CB 0.328 41.147 40.800 0.032 0.000 0.912 5169 D HN 0.095 nan 8.370 nan 0.000 0.521 5170 S N 1.150 116.908 115.700 0.097 0.000 2.544 5170 S HA -0.038 4.431 4.470 -0.002 0.000 0.290 5170 S C 1.499 176.124 174.600 0.042 0.000 1.276 5170 S CA -0.368 57.886 58.200 0.090 0.000 1.075 5170 S CB 0.666 63.922 63.200 0.093 0.000 0.849 5170 S HN 0.003 nan 8.310 nan 0.000 0.494 5171 R N 3.281 123.805 120.500 0.039 0.000 2.148 5171 R HA 0.062 4.401 4.340 -0.002 0.000 0.223 5171 R C 0.319 176.634 176.300 0.024 0.000 1.088 5171 R CA 0.506 56.622 56.100 0.027 0.000 0.985 5171 R CB -0.862 29.453 30.300 0.025 0.000 0.880 5171 R HN 0.516 nan 8.270 nan 0.000 0.451 5172 V N 5.286 125.215 119.914 0.026 0.000 2.406 5172 V HA 0.166 4.285 4.120 -0.002 0.000 0.272 5172 V C -2.008 174.105 176.094 0.031 0.000 1.043 5172 V CA -1.777 60.543 62.300 0.033 0.000 0.915 5172 V CB 1.477 33.321 31.823 0.034 0.000 0.988 5172 V HN 0.068 nan 8.190 nan 0.000 0.466 5173 P HA 0.076 nan 4.420 nan 0.000 0.276 5173 P C -0.657 176.758 177.300 0.191 0.000 1.235 5173 P CA -0.118 63.024 63.100 0.069 0.000 0.772 5173 P CB 0.247 32.037 31.700 0.151 0.000 0.871 5174 W N 1.643 122.954 121.300 0.017 0.000 6.199 5174 W HA -0.148 4.510 4.660 -0.002 0.000 0.416 5174 W C -1.794 174.824 176.519 0.165 0.000 1.636 5174 W CA -0.349 57.021 57.345 0.041 0.000 1.040 5174 W CB -2.408 27.029 29.460 -0.038 0.000 2.854 5174 W HN 0.391 nan 8.180 nan 0.000 1.467 5175 P HA 0.053 nan 4.420 nan 0.000 0.276 5175 P C -0.238 176.972 177.300 -0.149 0.000 1.244 5175 P CA -0.121 63.000 63.100 0.034 0.000 0.801 5175 P CB 1.135 32.789 31.700 -0.076 0.000 1.006 5176 Q N 1.085 120.619 119.800 -0.443 0.000 2.261 5176 Q HA 0.436 4.775 4.340 -0.002 0.000 0.252 5176 Q C -0.545 175.220 176.000 -0.390 0.000 0.915 5176 Q CA -0.600 54.703 55.803 -0.834 0.000 0.915 5176 Q CB 0.869 29.096 28.738 -0.852 0.000 1.204 5176 Q HN 0.396 nan 8.270 nan 0.000 0.421 5177 V N 0.371 120.109 119.914 -0.293 0.000 3.001 5177 V HA 0.819 4.938 4.120 -0.002 0.000 0.314 5177 V C -0.441 175.632 176.094 -0.036 0.000 1.099 5177 V CA -0.599 61.592 62.300 -0.181 0.000 0.989 5177 V CB 1.660 33.274 31.823 -0.348 0.000 1.040 5177 V HN 0.893 nan 8.190 nan 0.000 0.434 5178 S N 2.174 117.892 115.700 0.029 0.000 2.747 5178 S HA 0.565 5.034 4.470 -0.002 0.000 0.300 5178 S C 0.755 175.452 174.600 0.162 0.000 1.121 5178 S CA -0.662 57.583 58.200 0.075 0.000 0.995 5178 S CB 1.755 64.983 63.200 0.047 0.000 1.113 5178 S HN 0.815 nan 8.310 nan 0.000 0.547 5179 R N 0.984 121.577 120.500 0.155 0.000 2.075 5179 R HA -0.080 4.259 4.340 -0.002 0.000 0.232 5179 R C 2.349 178.788 176.300 0.230 0.000 1.126 5179 R CA 1.717 57.988 56.100 0.284 0.000 0.963 5179 R CB -0.560 29.822 30.300 0.136 0.000 0.858 5179 R HN 0.930 nan 8.270 nan 0.000 0.435 5180 E N 1.445 121.720 120.200 0.125 0.000 2.110 5180 E HA -0.262 4.087 4.350 -0.002 0.000 0.193 5180 E C 1.865 178.509 176.600 0.073 0.000 0.988 5180 E CA 1.113 57.562 56.400 0.081 0.000 0.804 5180 E CB -0.285 29.445 29.700 0.050 0.000 0.745 5180 E HN 0.423 nan 8.360 nan 0.000 0.458 5181 Q N 0.732 120.599 119.800 0.111 0.000 2.124 5181 Q HA -0.115 4.224 4.340 -0.002 0.000 0.202 5181 Q C 2.461 178.521 176.000 0.099 0.000 0.977 5181 Q CA 1.754 57.647 55.803 0.149 0.000 0.850 5181 Q CB 0.013 28.914 28.738 0.271 0.000 0.901 5181 Q HN 0.221 nan 8.270 nan 0.000 0.429 5182 V N 0.967 120.946 119.914 0.107 0.000 2.307 5182 V HA -0.234 3.885 4.120 -0.002 0.000 0.245 5182 V C 2.160 178.138 176.094 -0.193 0.000 1.045 5182 V CA 1.434 63.654 62.300 -0.134 0.000 1.024 5182 V CB -0.477 31.202 31.823 -0.239 0.000 0.651 5182 V HN 0.334 nan 8.190 nan 0.000 0.449 5183 L N 0.366 121.540 121.223 -0.082 0.000 2.083 5183 L HA -0.134 4.205 4.340 -0.002 0.000 0.209 5183 L C 2.686 179.501 176.870 -0.092 0.000 1.083 5183 L CA 1.474 56.261 54.840 -0.089 0.000 0.752 5183 L CB -0.810 41.241 42.059 -0.013 0.000 0.899 5183 L HN 0.358 nan 8.230 nan 0.000 0.433 5184 A N 0.145 122.920 122.820 -0.075 0.000 2.070 5184 A HA -0.157 4.162 4.320 -0.002 0.000 0.220 5184 A C 2.222 179.733 177.584 -0.121 0.000 1.159 5184 A CA 1.313 53.304 52.037 -0.076 0.000 0.656 5184 A CB -0.374 18.596 19.000 -0.050 0.000 0.800 5184 A HN 0.381 nan 8.150 nan 0.000 0.453 5185 R N -0.279 120.107 120.500 -0.191 0.000 2.362 5185 R HA 0.185 4.524 4.340 -0.002 0.000 0.227 5185 R C -0.024 176.159 176.300 -0.195 0.000 0.905 5185 R CA 0.486 56.444 56.100 -0.238 0.000 1.067 5185 R CB 0.142 30.186 30.300 -0.426 0.000 1.078 5185 R HN 0.344 nan 8.270 nan 0.000 0.516 5186 S N 1.961 117.563 115.700 -0.164 0.000 3.292 5186 S HA -0.088 4.381 4.470 -0.002 0.000 0.360 5186 S C -2.166 172.357 174.600 -0.128 0.000 0.930 5186 S CA 0.116 58.236 58.200 -0.134 0.000 1.317 5186 S CB -1.089 62.053 63.200 -0.097 0.000 0.920 5186 S HN 0.326 nan 8.310 nan 0.000 0.540 5187 P HA 0.137 nan 4.420 nan 0.000 0.271 5187 P C 0.286 177.537 177.300 -0.081 0.000 1.218 5187 P CA -0.220 62.823 63.100 -0.095 0.000 0.780 5187 P CB 0.685 32.342 31.700 -0.072 0.000 0.901 5188 Q N 0.651 120.421 119.800 -0.050 0.000 2.408 5188 Q HA 0.353 4.692 4.340 -0.002 0.000 0.205 5188 Q C 0.395 176.370 176.000 -0.040 0.000 0.919 5188 Q CA 0.273 56.049 55.803 -0.045 0.000 0.932 5188 Q CB 0.519 29.238 28.738 -0.032 0.000 1.058 5188 Q HN 0.612 nan 8.270 nan 0.000 0.517 5189 A N 0.536 123.338 122.820 -0.030 0.000 2.608 5189 A HA 0.626 4.945 4.320 -0.002 0.000 0.292 5189 A C -1.692 175.889 177.584 -0.005 0.000 1.066 5189 A CA -0.691 51.329 52.037 -0.028 0.000 0.676 5189 A CB 1.130 20.113 19.000 -0.028 0.000 1.277 5189 A HN 0.144 nan 8.150 nan 0.000 0.413 5190 I N 1.125 121.683 120.570 -0.019 0.000 2.465 5190 I HA 0.509 4.678 4.170 -0.002 0.000 0.291 5190 I C -0.822 175.247 176.117 -0.081 0.000 1.014 5190 I CA -1.053 60.240 61.300 -0.011 0.000 1.093 5190 I CB 2.009 40.025 38.000 0.027 0.000 1.267 5190 I HN 0.342 nan 8.210 nan 0.000 0.431 5191 V N 6.797 126.618 119.914 -0.154 0.000 2.459 5191 V HA 0.546 4.665 4.120 -0.002 0.000 0.295 5191 V C 0.055 175.972 176.094 -0.295 0.000 1.029 5191 V CA -0.451 61.717 62.300 -0.219 0.000 0.874 5191 V CB 1.779 33.457 31.823 -0.242 0.000 0.985 5191 V HN 0.595 nan 8.190 nan 0.000 0.438 5192 I N 1.676 122.090 120.570 -0.261 0.000 3.239 5192 I HA 0.716 4.885 4.170 -0.002 0.000 0.314 5192 I C 0.710 176.693 176.117 -0.224 0.000 1.126 5192 I CA -0.577 60.569 61.300 -0.258 0.000 0.973 5192 I CB 2.396 40.306 38.000 -0.149 0.000 1.252 5192 I HN 0.565 nan 8.210 nan 0.000 0.463 5193 T N -2.845 111.612 114.554 -0.162 0.000 2.959 5193 T HA 0.213 4.561 4.350 -0.002 0.000 0.254 5193 T C 1.581 176.232 174.700 -0.082 0.000 1.003 5193 T CA 0.508 62.558 62.100 -0.082 0.000 0.950 5193 T CB 0.027 68.913 68.868 0.031 0.000 1.090 5193 T HN 0.863 nan 8.240 nan 0.000 0.503 5194 G N 1.394 110.146 108.800 -0.079 0.000 2.586 5194 G HA2 0.406 4.365 3.960 -0.002 0.000 0.215 5194 G HA3 0.406 4.365 3.960 -0.002 0.000 0.215 5194 G C 0.997 175.843 174.900 -0.090 0.000 1.128 5194 G CA 0.181 45.237 45.100 -0.074 0.000 0.774 5194 G HN 1.168 nan 8.290 nan 0.000 0.543 5195 G N -0.966 107.769 108.800 -0.108 0.000 2.685 5195 G HA2 -0.091 3.868 3.960 -0.002 0.000 0.387 5195 G HA3 -0.091 3.868 3.960 -0.002 0.000 0.387 5195 G C -1.396 173.454 174.900 -0.083 0.000 1.324 5195 G CA -0.222 44.808 45.100 -0.116 0.000 0.878 5195 G HN 0.025 nan 8.290 nan 0.000 0.527 5196 P HA -0.012 nan 4.420 nan 0.000 0.216 5196 P C 1.177 178.456 177.300 -0.036 0.000 1.150 5196 P CA 1.682 64.752 63.100 -0.050 0.000 0.843 5196 P CB 0.023 31.696 31.700 -0.046 0.000 0.787 5197 D N -1.421 118.956 120.400 -0.038 0.000 2.378 5197 D HA -0.112 4.527 4.640 -0.002 0.000 0.222 5197 D C 1.754 178.042 176.300 -0.021 0.000 0.980 5197 D CA 0.841 54.825 54.000 -0.026 0.000 0.907 5197 D CB -0.087 40.696 40.800 -0.028 0.000 0.899 5197 D HN 0.210 nan 8.370 nan 0.000 0.527 5198 Q N -0.152 119.632 119.800 -0.028 0.000 2.384 5198 Q HA 0.175 4.514 4.340 -0.002 0.000 0.207 5198 Q C 2.005 178.003 176.000 -0.004 0.000 0.904 5198 Q CA -0.001 55.789 55.803 -0.022 0.000 0.933 5198 Q CB 0.294 29.008 28.738 -0.039 0.000 1.077 5198 Q HN 0.243 nan 8.270 nan 0.000 0.522 5199 I N 2.068 122.637 120.570 -0.002 0.000 2.127 5199 I HA -0.227 3.941 4.170 -0.002 0.000 0.241 5199 I C -0.697 175.448 176.117 0.047 0.000 1.075 5199 I CA 1.340 62.653 61.300 0.021 0.000 1.334 5199 I CB -1.344 36.663 38.000 0.011 0.000 1.040 5199 I HN 0.205 nan 8.210 nan 0.000 0.405 5200 P HA -0.216 nan 4.420 nan 0.000 0.221 5200 P C 1.421 178.756 177.300 0.059 0.000 1.145 5200 P CA 1.610 64.738 63.100 0.046 0.000 0.795 5200 P CB -0.144 31.574 31.700 0.030 0.000 0.775 5201 K N -0.513 119.916 120.400 0.049 0.000 2.103 5201 K HA -0.081 4.238 4.320 -0.002 0.000 0.204 5201 K C 2.006 178.658 176.600 0.088 0.000 1.052 5201 K CA 0.904 57.222 56.287 0.052 0.000 0.945 5201 K CB -0.286 32.227 32.500 0.022 0.000 0.722 5201 K HN -0.040 nan 8.250 nan 0.000 0.443 5202 I N 1.602 122.235 120.570 0.106 0.000 2.333 5202 I HA -0.164 4.005 4.170 -0.002 0.000 0.246 5202 I C 1.916 178.226 176.117 0.322 0.000 1.106 5202 I CA 1.366 62.785 61.300 0.198 0.000 1.411 5202 I CB -0.112 38.012 38.000 0.207 0.000 1.082 5202 I HN 0.013 nan 8.210 nan 0.000 0.420 5203 K N -0.090 120.450 120.400 0.235 0.000 2.283 5203 K HA -0.203 4.116 4.320 -0.002 0.000 0.202 5203 K C 2.046 178.760 176.600 0.190 0.000 1.048 5203 K CA 0.920 57.344 56.287 0.228 0.000 0.948 5203 K CB -0.093 32.490 32.500 0.139 0.000 0.742 5203 K HN 0.418 nan 8.250 nan 0.000 0.458 5204 Q N -0.141 119.748 119.800 0.148 0.000 2.137 5204 Q HA -0.167 4.172 4.340 -0.002 0.000 0.198 5204 Q C 1.898 177.949 176.000 0.085 0.000 0.960 5204 Q CA 1.013 56.875 55.803 0.098 0.000 0.847 5204 Q CB -0.049 28.735 28.738 0.075 0.000 0.915 5204 Q HN 0.363 nan 8.270 nan 0.000 0.448 5205 Y N -0.579 119.697 120.300 -0.040 0.000 2.163 5205 Y HA -0.219 4.330 4.550 -0.002 0.000 0.288 5205 Y C 1.301 177.063 175.900 -0.230 0.000 1.136 5205 Y CA 1.968 59.954 58.100 -0.190 0.000 1.147 5205 Y CB -0.376 37.892 38.460 -0.319 0.000 0.987 5205 Y HN 0.174 nan 8.280 nan 0.000 0.509 5206 W N 0.249 121.636 121.300 0.146 0.000 2.523 5206 W HA 0.234 4.893 4.660 -0.002 0.000 0.278 5206 W C 1.932 178.448 176.519 -0.005 0.000 1.236 5206 W CA 1.091 58.468 57.345 0.054 0.000 1.306 5206 W CB -0.601 28.958 29.460 0.165 0.000 1.101 5206 W HN 0.434 nan 8.180 nan 0.000 0.577 5207 G N 1.258 110.189 108.800 0.218 0.000 2.574 5207 G HA2 -0.427 3.532 3.960 -0.002 0.000 0.286 5207 G HA3 -0.427 3.532 3.960 -0.002 0.000 0.286 5207 G C 0.459 175.438 174.900 0.131 0.000 1.212 5207 G CA 0.924 46.099 45.100 0.126 0.000 0.979 5207 G HN 0.245 nan 8.290 nan 0.000 0.557 5208 E N 0.283 120.535 120.200 0.086 0.000 2.478 5208 E HA 0.191 4.540 4.350 -0.002 0.000 0.194 5208 E C 2.250 178.891 176.600 0.069 0.000 1.045 5208 E CA 0.899 57.338 56.400 0.066 0.000 0.868 5208 E CB 0.228 29.952 29.700 0.040 0.000 0.885 5208 E HN 0.562 nan 8.360 nan 0.000 0.505 5209 Q N -0.108 119.755 119.800 0.105 0.000 2.291 5209 Q HA -0.034 4.305 4.340 -0.002 0.000 0.205 5209 Q C -0.381 175.665 176.000 0.077 0.000 0.970 5209 Q CA 0.715 56.584 55.803 0.110 0.000 0.876 5209 Q CB 0.313 29.154 28.738 0.172 0.000 0.935 5209 Q HN 0.088 nan 8.270 nan 0.000 0.455 5210 L N 1.183 122.453 121.223 0.078 0.000 2.518 5210 L HA 0.318 4.657 4.340 -0.002 0.000 0.262 5210 L C -1.619 175.231 176.870 -0.033 0.000 0.982 5210 L CA -0.259 54.538 54.840 -0.071 0.000 0.873 5210 L CB 1.807 43.653 42.059 -0.354 0.000 1.198 5210 L HN -0.235 nan 8.230 nan 0.000 0.427 5211 K N 6.908 127.287 120.400 -0.034 0.000 2.457 5211 K HA 0.529 4.848 4.320 -0.002 0.000 0.226 5211 K C -0.649 175.932 176.600 -0.033 0.000 1.114 5211 K CA -0.042 56.237 56.287 -0.014 0.000 1.089 5211 K CB 0.422 32.922 32.500 -0.001 0.000 1.739 5211 K HN 0.675 nan 8.250 nan 0.000 0.473 5212 I N -1.934 118.607 120.570 -0.048 0.000 2.934 5212 I HA 0.603 4.772 4.170 -0.002 0.000 0.306 5212 I C -2.430 173.667 176.117 -0.033 0.000 1.110 5212 I CA -2.794 58.477 61.300 -0.048 0.000 1.019 5212 I CB 1.981 39.936 38.000 -0.076 0.000 1.227 5212 I HN -0.026 nan 8.210 nan 0.000 0.434 5213 P HA 0.099 nan 4.420 nan 0.000 0.265 5213 P C -0.626 176.659 177.300 -0.024 0.000 1.193 5213 P CA 0.003 63.091 63.100 -0.020 0.000 0.765 5213 P CB 1.199 32.886 31.700 -0.022 0.000 0.823 5214 V N 5.181 125.086 119.914 -0.014 0.000 2.370 5214 V HA 0.327 4.446 4.120 -0.002 0.000 0.283 5214 V C 0.594 176.664 176.094 -0.040 0.000 1.023 5214 V CA -0.502 61.788 62.300 -0.016 0.000 0.857 5214 V CB 1.158 32.992 31.823 0.018 0.000 0.985 5214 V HN 0.394 nan 8.190 nan 0.000 0.443 5215 I N 8.072 128.600 120.570 -0.071 0.000 2.354 5215 I HA 0.386 4.555 4.170 -0.002 0.000 0.286 5215 I C -2.377 173.658 176.117 -0.136 0.000 1.007 5215 I CA -1.814 59.427 61.300 -0.098 0.000 1.167 5215 I CB 2.328 40.259 38.000 -0.115 0.000 1.320 5215 I HN 0.426 nan 8.210 nan 0.000 0.458 5216 P HA 0.425 nan 4.420 nan 0.000 0.294 5216 P C -1.125 176.073 177.300 -0.170 0.000 1.294 5216 P CA -0.379 62.636 63.100 -0.140 0.000 0.827 5216 P CB 1.727 33.366 31.700 -0.102 0.000 0.992 5217 L N 1.801 122.898 121.223 -0.210 0.000 2.333 5217 L HA 0.444 4.783 4.340 -0.002 0.000 0.269 5217 L C 0.676 177.440 176.870 -0.178 0.000 1.010 5217 L CA -0.852 53.861 54.840 -0.213 0.000 0.818 5217 L CB 1.721 43.550 42.059 -0.384 0.000 1.306 5217 L HN 0.226 nan 8.230 nan 0.000 0.430 5218 T N 0.373 114.783 114.554 -0.240 0.000 2.867 5218 T HA -0.008 4.341 4.350 -0.002 0.000 0.297 5218 T C 1.259 175.833 174.700 -0.209 0.000 0.989 5218 T CA -0.075 61.764 62.100 -0.435 0.000 1.159 5218 T CB 1.091 69.241 68.868 -1.198 0.000 0.928 5218 T HN 0.660 nan 8.240 nan 0.000 0.538 5219 S N 2.899 118.499 115.700 -0.166 0.000 2.353 5219 S HA -0.145 4.324 4.470 -0.002 0.000 0.222 5219 S C 1.816 176.410 174.600 -0.010 0.000 1.035 5219 S CA 1.249 59.425 58.200 -0.039 0.000 1.025 5219 S CB -0.234 62.933 63.200 -0.055 0.000 0.902 5219 S HN 0.715 nan 8.310 nan 0.000 0.440 5220 D N -0.029 120.316 120.400 -0.091 0.000 2.221 5220 D HA -0.093 4.546 4.640 -0.002 0.000 0.204 5220 D C 1.448 177.841 176.300 0.153 0.000 0.982 5220 D CA 0.764 54.757 54.000 -0.011 0.000 0.857 5220 D CB -0.140 40.632 40.800 -0.047 0.000 0.934 5220 D HN 0.506 nan 8.370 nan 0.000 0.475 5221 W N -0.176 121.108 121.300 -0.027 0.000 2.480 5221 W HA 0.096 4.755 4.660 -0.002 0.000 0.299 5221 W C 2.116 178.696 176.519 0.102 0.000 1.187 5221 W CA -0.365 56.978 57.345 -0.003 0.000 1.347 5221 W CB -1.469 27.993 29.460 0.005 0.000 1.121 5221 W HN -0.081 nan 8.180 nan 0.000 0.533 5222 F N 1.463 121.534 119.950 0.202 0.000 2.293 5222 F HA -0.018 4.508 4.527 -0.002 0.000 0.297 5222 F C 1.795 177.688 175.800 0.155 0.000 1.089 5222 F CA 1.326 59.418 58.000 0.154 0.000 1.377 5222 F CB -0.315 38.757 39.000 0.120 0.000 1.051 5222 F HN -0.089 nan 8.300 nan 0.000 0.511 5223 E N -0.172 120.083 120.200 0.091 0.000 2.489 5223 E HA 0.061 4.410 4.350 -0.002 0.000 0.193 5223 E C 0.140 176.648 176.600 -0.154 0.000 1.057 5223 E CA 0.061 56.435 56.400 -0.044 0.000 0.866 5223 E CB 0.254 29.959 29.700 0.008 0.000 0.916 5223 E HN 0.264 nan 8.360 nan 0.000 0.500 5224 R N 0.690 121.118 120.500 -0.121 0.000 2.437 5224 R HA 0.451 4.790 4.340 -0.002 0.000 0.310 5224 R C -0.688 175.504 176.300 -0.180 0.000 0.955 5224 R CA -0.480 55.499 56.100 -0.201 0.000 0.851 5224 R CB 1.677 31.889 30.300 -0.148 0.000 1.161 5224 R HN -0.084 nan 8.270 nan 0.000 0.446 5225 A N 2.459 125.122 122.820 -0.261 0.000 2.990 5225 A HA 0.306 4.625 4.320 -0.002 0.000 0.282 5225 A C -0.303 177.185 177.584 -0.159 0.000 1.688 5225 A CA -0.103 51.822 52.037 -0.186 0.000 1.391 5225 A CB -0.431 18.452 19.000 -0.195 0.000 1.112 5225 A HN 0.741 nan 8.150 nan 0.000 0.588 5226 S N 0.274 115.908 115.700 -0.110 0.000 2.688 5226 S HA 0.638 5.107 4.470 -0.002 0.000 0.275 5226 S C -2.555 172.012 174.600 -0.056 0.000 1.175 5226 S CA -1.164 56.992 58.200 -0.073 0.000 0.818 5226 S CB 0.975 64.137 63.200 -0.063 0.000 1.157 5226 S HN 0.060 nan 8.310 nan 0.000 0.482 5227 P HA -0.096 nan 4.420 nan 0.000 0.217 5227 P C 0.974 178.220 177.300 -0.089 0.000 1.148 5227 P CA 1.212 64.286 63.100 -0.042 0.000 0.834 5227 P CB -0.014 31.683 31.700 -0.006 0.000 0.783 5228 R N -1.280 119.144 120.500 -0.126 0.000 2.357 5228 R HA -0.014 4.324 4.340 -0.002 0.000 0.202 5228 R C 1.927 178.116 176.300 -0.185 0.000 1.047 5228 R CA 0.226 56.177 56.100 -0.248 0.000 1.034 5228 R CB -0.856 29.251 30.300 -0.321 0.000 0.875 5228 R HN 0.233 nan 8.270 nan 0.000 0.473 5229 I N 0.952 121.481 120.570 -0.068 0.000 2.454 5229 I HA -0.229 3.940 4.170 -0.002 0.000 0.254 5229 I C 1.820 177.942 176.117 0.008 0.000 1.156 5229 I CA 1.010 62.320 61.300 0.018 0.000 1.433 5229 I CB -0.045 37.955 38.000 -0.002 0.000 1.082 5229 I HN 0.057 nan 8.210 nan 0.000 0.432 5230 I N -0.157 120.376 120.570 -0.063 0.000 2.394 5230 I HA -0.227 3.942 4.170 -0.002 0.000 0.251 5230 I C 2.069 178.120 176.117 -0.110 0.000 1.136 5230 I CA 1.578 62.851 61.300 -0.046 0.000 1.425 5230 I CB -0.226 37.749 38.000 -0.041 0.000 1.079 5230 I HN 0.196 nan 8.210 nan 0.000 0.425 5231 L N -0.104 120.946 121.223 -0.288 0.000 2.109 5231 L HA -0.094 4.245 4.340 -0.002 0.000 0.207 5231 L C 2.625 179.408 176.870 -0.145 0.000 1.086 5231 L CA 1.129 55.667 54.840 -0.504 0.000 0.760 5231 L CB -0.988 40.210 42.059 -1.435 0.000 0.910 5231 L HN 0.263 nan 8.230 nan 0.000 0.437 5232 A N 0.187 123.056 122.820 0.081 0.000 1.897 5232 A HA -0.072 4.247 4.320 -0.002 0.000 0.215 5232 A C 2.556 180.209 177.584 0.114 0.000 1.181 5232 A CA 1.473 53.673 52.037 0.272 0.000 0.620 5232 A CB -0.579 18.682 19.000 0.436 0.000 0.821 5232 A HN 0.360 nan 8.150 nan 0.000 0.443 5233 A N -0.480 122.400 122.820 0.099 0.000 1.902 5233 A HA -0.222 4.096 4.320 -0.002 0.000 0.217 5233 A C 2.129 179.698 177.584 -0.026 0.000 1.181 5233 A CA 1.714 53.787 52.037 0.061 0.000 0.623 5233 A CB -0.602 18.465 19.000 0.111 0.000 0.818 5233 A HN 0.646 nan 8.150 nan 0.000 0.443 5234 Q N -1.023 118.768 119.800 -0.014 0.000 2.050 5234 Q HA -0.255 4.084 4.340 -0.002 0.000 0.202 5234 Q C 2.372 178.347 176.000 -0.042 0.000 0.980 5234 Q CA 1.724 57.510 55.803 -0.029 0.000 0.840 5234 Q CB -0.219 28.515 28.738 -0.006 0.000 0.898 5234 Q HN 0.852 nan 8.270 nan 0.000 0.424 5235 Q N 0.477 120.284 119.800 0.012 0.000 2.061 5235 Q HA -0.221 4.118 4.340 -0.002 0.000 0.204 5235 Q C 2.101 178.062 176.000 -0.064 0.000 0.984 5235 Q CA 1.321 57.144 55.803 0.033 0.000 0.846 5235 Q CB -0.082 28.747 28.738 0.153 0.000 0.902 5235 Q HN 0.322 nan 8.270 nan 0.000 0.421 5236 L N 0.121 121.274 121.223 -0.117 0.000 2.056 5236 L HA -0.139 4.200 4.340 -0.002 0.000 0.207 5236 L C 2.275 179.018 176.870 -0.211 0.000 1.078 5236 L CA 1.656 56.388 54.840 -0.181 0.000 0.749 5236 L CB -0.918 41.009 42.059 -0.219 0.000 0.901 5236 L HN 0.385 nan 8.230 nan 0.000 0.433 5237 c N 0.168 118.579 118.600 -0.314 0.000 2.413 5237 c HA -0.160 4.409 4.570 -0.002 0.000 0.276 5237 c C 2.677 176.471 174.090 -0.495 0.000 1.248 5237 c CA 1.114 57.059 56.329 -0.640 0.000 1.742 5237 c CB -1.329 40.404 42.510 -1.296 0.000 2.017 5237 c HN 0.647 nan 8.230 nan 0.000 0.481 5238 N N 0.921 119.469 118.700 -0.254 0.000 2.058 5238 N HA -0.097 4.642 4.740 -0.002 0.000 0.191 5238 N C 1.881 177.379 175.510 -0.020 0.000 1.037 5238 N CA 1.851 54.885 53.050 -0.026 0.000 0.848 5238 N CB -0.570 37.932 38.487 0.025 0.000 1.021 5238 N HN 0.539 nan 8.380 nan 0.000 0.422 5239 A N 0.745 123.531 122.820 -0.057 0.000 1.969 5239 A HA -0.056 4.263 4.320 -0.002 0.000 0.218 5239 A C 2.171 179.726 177.584 -0.048 0.000 1.169 5239 A CA 0.788 52.797 52.037 -0.047 0.000 0.635 5239 A CB -0.495 18.466 19.000 -0.066 0.000 0.810 5239 A HN 0.219 nan 8.150 nan 0.000 0.445 5240 L N -0.241 120.938 121.223 -0.073 0.000 2.217 5240 L HA 0.020 4.359 4.340 -0.002 0.000 0.211 5240 L C 2.295 179.157 176.870 -0.013 0.000 1.107 5240 L CA 2.065 56.873 54.840 -0.054 0.000 0.783 5240 L CB -0.572 41.442 42.059 -0.076 0.000 0.919 5240 L HN 0.257 nan 8.230 nan 0.000 0.442 5241 S N -0.759 114.948 115.700 0.012 0.000 2.447 5241 S HA -0.155 4.314 4.470 -0.002 0.000 0.233 5241 S C 1.721 176.351 174.600 0.049 0.000 1.006 5241 S CA 0.951 59.197 58.200 0.075 0.000 0.957 5241 S CB -0.184 63.128 63.200 0.186 0.000 0.773 5241 S HN 0.604 nan 8.310 nan 0.000 0.507 5242 Q N 0.459 120.276 119.800 0.027 0.000 2.389 5242 Q HA 0.108 4.447 4.340 -0.002 0.000 0.204 5242 Q C 0.026 176.030 176.000 0.007 0.000 0.944 5242 Q CA 0.234 56.047 55.803 0.018 0.000 0.908 5242 Q CB 0.102 28.846 28.738 0.011 0.000 1.002 5242 Q HN 0.280 nan 8.270 nan 0.000 0.493 5243 V N 2.622 122.537 119.914 0.002 0.000 2.450 5243 V HA -0.016 4.103 4.120 -0.002 0.000 0.281 5243 V C 0.071 176.165 176.094 0.000 0.000 1.019 5243 V CA 0.187 62.484 62.300 -0.004 0.000 1.062 5243 V CB 0.492 32.308 31.823 -0.012 0.000 0.979 5243 V HN 0.126 nan 8.190 nan 0.000 0.477 5244 D N 0.000 120.399 120.400 -0.002 0.000 6.856 5244 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 5244 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 5244 D CB 0.000 40.800 40.800 -0.000 0.000 0.688 5244 D HN 0.000 nan 8.370 nan 0.000 0.683