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 1kap_1_P DATA FIRST_RESID 1 DATA SEQUENCE GRSDAYTQVD NFLHAYARGG DELVNGHPSY TVDQAAEQIL REQASWQKAP DATA SEQUENCE GDSVLTLSYS FLTKPNDFFN TPWKYVSDIY SLGKFSAFSA QQQAQAKLSL DATA SEQUENCE QSWSDVTNIH FVDAGQGDQG DLTFGNFSSS VGGAAFAFLP DVPDALKGQS DATA SEQUENCE WYLINSSYSA NVNPANGNYG RQTLTHEIGH TLGLSHPGDY NAGEGDPTYA DATA SEQUENCE DATYAEDTRA YSVMSYWEEQ NTGQDFKGAY SSAPLLDDIA AIQKLYGANL DATA SEQUENCE TTRTGDTVYG FNSNTERDFY SATSSSSKLV FSVWDAGGND TLDFSGFSQN DATA SEQUENCE QKINLNEKAL SDVGGLKGNV SIAAGVTVEN AIGGSGSDLL IGNDVANVLK DATA SEQUENCE GGAGNDILYG GLGADQLWGG AGADTFVYGD IAESSAAAPD TLRDFVSGQD DATA SEQUENCE KIDLSGLDAF VNGGLVLQYV DAFAGKAGQA ILSYDAASKA GSLAIDFSGD DATA SEQUENCE AHADFAINLI GQATQADIVV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 1 G C 0.000 174.924 174.900 0.039 0.000 0.946 1 G CA 0.000 45.124 45.100 0.039 0.000 0.502 2 R N 1.406 121.931 120.500 0.042 0.000 2.484 2 R HA -0.024 4.319 4.340 0.005 0.000 0.293 2 R C 1.370 177.748 176.300 0.131 0.000 1.023 2 R CA 0.005 56.148 56.100 0.072 0.000 1.037 2 R CB 0.750 31.132 30.300 0.137 0.000 0.951 2 R HN 0.158 nan 8.270 nan 0.000 0.418 3 S N 3.232 119.027 115.700 0.158 0.000 2.617 3 S HA 0.103 4.576 4.470 0.005 0.000 0.259 3 S C 0.357 175.054 174.600 0.161 0.000 1.301 3 S CA -0.757 57.530 58.200 0.144 0.000 0.984 3 S CB 1.049 64.336 63.200 0.146 0.000 0.954 3 S HN 0.032 nan 8.310 nan 0.000 0.572 4 D N 0.950 121.415 120.400 0.109 0.000 2.178 4 D HA -0.047 4.596 4.640 0.005 0.000 0.202 4 D C 1.945 178.292 176.300 0.078 0.000 0.974 4 D CA 1.177 55.226 54.000 0.082 0.000 0.841 4 D CB -0.112 40.719 40.800 0.052 0.000 0.953 4 D HN 0.631 nan 8.370 nan 0.000 0.478 5 A N -0.355 122.523 122.820 0.096 0.000 1.902 5 A HA -0.199 4.124 4.320 0.005 0.000 0.217 5 A C 2.065 179.702 177.584 0.089 0.000 1.181 5 A CA 1.232 53.318 52.037 0.081 0.000 0.623 5 A CB -1.085 17.975 19.000 0.100 0.000 0.818 5 A HN 0.479 nan 8.150 nan 0.000 0.443 6 Y N 1.164 121.510 120.300 0.077 0.000 2.181 6 Y HA -0.168 4.385 4.550 0.005 0.000 0.288 6 Y C 2.623 178.553 175.900 0.051 0.000 1.146 6 Y CA 2.268 60.419 58.100 0.086 0.000 1.164 6 Y CB -0.702 37.827 38.460 0.114 0.000 0.982 6 Y HN 0.296 nan 8.280 nan 0.000 0.515 7 T N 0.666 115.230 114.554 0.018 0.000 2.720 7 T HA -0.239 4.114 4.350 0.005 0.000 0.268 7 T C 1.720 176.362 174.700 -0.097 0.000 1.037 7 T CA 1.885 63.966 62.100 -0.031 0.000 1.144 7 T CB -0.240 68.670 68.868 0.070 0.000 0.864 7 T HN 0.492 nan 8.240 nan 0.000 0.444 8 Q N 0.109 119.868 119.800 -0.068 0.000 2.084 8 Q HA -0.073 4.269 4.340 0.005 0.000 0.202 8 Q C 2.559 178.505 176.000 -0.089 0.000 0.978 8 Q CA 1.120 56.889 55.803 -0.058 0.000 0.844 8 Q CB -0.352 28.360 28.738 -0.044 0.000 0.898 8 Q HN 0.355 nan 8.270 nan 0.000 0.426 9 V N 1.109 120.909 119.914 -0.190 0.000 2.295 9 V HA -0.263 3.860 4.120 0.005 0.000 0.246 9 V C 1.821 177.721 176.094 -0.323 0.000 1.049 9 V CA 2.160 64.295 62.300 -0.275 0.000 1.024 9 V CB -0.537 31.016 31.823 -0.449 0.000 0.648 9 V HN 0.383 nan 8.190 nan 0.000 0.447 10 D N 0.080 120.222 120.400 -0.430 0.000 2.123 10 D HA -0.185 4.458 4.640 0.005 0.000 0.196 10 D C 1.974 178.267 176.300 -0.010 0.000 0.992 10 D CA 1.480 55.327 54.000 -0.254 0.000 0.833 10 D CB -0.143 40.507 40.800 -0.250 0.000 0.954 10 D HN 0.340 nan 8.370 nan 0.000 0.455 11 N N -0.558 118.134 118.700 -0.014 0.000 2.084 11 N HA -0.164 4.579 4.740 0.005 0.000 0.190 11 N C 1.562 177.098 175.510 0.044 0.000 1.030 11 N CA 0.628 53.705 53.050 0.044 0.000 0.849 11 N CB -0.602 37.902 38.487 0.027 0.000 1.012 11 N HN 0.241 nan 8.380 nan 0.000 0.423 12 F N 1.411 121.289 119.950 -0.121 0.000 2.234 12 F HA 0.098 4.628 4.527 0.005 0.000 0.299 12 F C 2.009 177.724 175.800 -0.142 0.000 1.087 12 F CA 0.509 58.437 58.000 -0.120 0.000 1.340 12 F CB -0.279 38.663 39.000 -0.095 0.000 1.031 12 F HN -0.044 nan 8.300 nan 0.000 0.500 13 L N -0.909 120.144 121.223 -0.283 0.000 2.265 13 L HA -0.228 4.115 4.340 0.005 0.000 0.215 13 L C 1.138 177.648 176.870 -0.600 0.000 1.117 13 L CA 1.374 55.928 54.840 -0.477 0.000 0.782 13 L CB -0.551 41.164 42.059 -0.573 0.000 0.914 13 L HN 0.187 nan 8.230 nan 0.000 0.441 14 H N -1.533 117.433 119.070 -0.172 0.000 2.528 14 H HA 0.374 4.933 4.556 0.005 0.000 0.282 14 H C 0.630 175.860 175.328 -0.164 0.000 1.097 14 H CA -0.129 55.843 56.048 -0.127 0.000 1.121 14 H CB 0.293 30.006 29.762 -0.081 0.000 1.590 14 H HN 0.202 nan 8.280 nan 0.000 0.553 15 A N -0.123 122.551 122.820 -0.243 0.000 2.351 15 A HA 0.249 4.572 4.320 0.005 0.000 0.257 15 A C -0.492 176.950 177.584 -0.237 0.000 1.087 15 A CA -0.328 51.472 52.037 -0.395 0.000 0.798 15 A CB -0.172 18.413 19.000 -0.693 0.000 1.033 15 A HN 0.522 nan 8.150 nan 0.000 0.488 16 Y N -1.990 118.315 120.300 0.007 0.000 3.389 16 Y HA -0.172 4.381 4.550 0.005 0.000 0.213 16 Y C 1.073 177.022 175.900 0.082 0.000 1.272 16 Y CA 0.230 58.377 58.100 0.078 0.000 1.444 16 Y CB -2.486 36.033 38.460 0.099 0.000 1.445 16 Y HN 1.033 nan 8.280 nan 0.000 0.583 17 A N 0.960 123.863 122.820 0.140 0.000 2.498 17 A HA 0.607 4.930 4.320 0.005 0.000 0.239 17 A C 0.692 178.348 177.584 0.120 0.000 1.068 17 A CA -0.092 52.014 52.037 0.115 0.000 0.766 17 A CB 0.417 19.468 19.000 0.086 0.000 1.003 17 A HN 0.454 nan 8.150 nan 0.000 0.497 18 R N 0.651 121.207 120.500 0.093 0.000 2.795 18 R HA 0.709 5.051 4.340 0.005 0.000 0.275 18 R C 0.176 176.517 176.300 0.068 0.000 0.981 18 R CA 0.021 56.164 56.100 0.072 0.000 0.917 18 R CB 2.152 32.465 30.300 0.021 0.000 1.202 18 R HN 1.835 nan 8.270 nan 0.000 0.469 19 G N 0.068 108.918 108.800 0.084 0.000 2.655 19 G HA2 0.290 4.253 3.960 0.005 0.000 0.680 19 G HA3 0.290 4.253 3.960 0.005 0.000 0.680 19 G C -0.050 174.897 174.900 0.077 0.000 1.302 19 G CA -0.273 44.874 45.100 0.077 0.000 0.872 19 G HN 1.214 nan 8.290 nan 0.000 0.540 20 G N -1.110 107.727 108.800 0.062 0.000 2.655 20 G HA2 0.417 4.380 3.960 0.005 0.000 0.680 20 G HA3 0.417 4.380 3.960 0.005 0.000 0.680 20 G C 0.094 175.035 174.900 0.068 0.000 1.302 20 G CA 0.709 45.842 45.100 0.055 0.000 0.872 20 G HN 2.431 nan 8.290 nan 0.000 0.540 21 D N -0.428 120.004 120.400 0.055 0.000 2.424 21 D HA 0.236 4.879 4.640 0.005 0.000 0.220 21 D C 0.522 176.855 176.300 0.054 0.000 1.150 21 D CA 0.296 54.331 54.000 0.058 0.000 0.831 21 D CB 0.227 41.053 40.800 0.042 0.000 0.981 21 D HN 0.720 nan 8.370 nan 0.000 0.500 22 E N 0.239 120.472 120.200 0.055 0.000 2.222 22 E HA 0.412 4.765 4.350 0.005 0.000 0.272 22 E C -0.130 176.504 176.600 0.057 0.000 0.982 22 E CA -0.988 55.440 56.400 0.046 0.000 0.842 22 E CB 2.156 31.879 29.700 0.037 0.000 1.144 22 E HN 0.102 nan 8.360 nan 0.000 0.397 23 L N 1.734 122.983 121.223 0.043 0.000 2.426 23 L HA 0.197 4.540 4.340 0.005 0.000 0.271 23 L C -0.554 176.346 176.870 0.050 0.000 1.169 23 L CA -0.340 54.525 54.840 0.042 0.000 0.836 23 L CB 0.661 42.726 42.059 0.011 0.000 1.112 23 L HN 0.226 nan 8.230 nan 0.000 0.465 24 V N 3.613 123.572 119.914 0.075 0.000 2.447 24 V HA 0.268 4.391 4.120 0.005 0.000 0.292 24 V C -0.186 175.978 176.094 0.116 0.000 1.021 24 V CA -0.712 61.647 62.300 0.099 0.000 0.850 24 V CB 1.320 33.223 31.823 0.134 0.000 1.005 24 V HN 0.907 nan 8.190 nan 0.000 0.426 25 N N 3.834 122.582 118.700 0.082 0.000 2.725 25 N HA -0.203 4.540 4.740 0.005 0.000 0.249 25 N C 1.161 176.592 175.510 -0.132 0.000 1.103 25 N CA 1.578 54.675 53.050 0.078 0.000 0.707 25 N CB -1.156 37.520 38.487 0.317 0.000 1.043 25 N HN 1.587 nan 8.380 nan 0.000 0.553 26 G N -1.424 107.285 108.800 -0.151 0.000 2.148 26 G HA2 -0.323 3.640 3.960 0.005 0.000 0.254 26 G HA3 -0.323 3.640 3.960 0.005 0.000 0.254 26 G C -0.182 174.490 174.900 -0.380 0.000 0.981 26 G CA 0.885 45.818 45.100 -0.279 0.000 0.670 26 G HN 0.746 nan 8.290 nan 0.000 0.528 27 H N -0.180 118.854 119.070 -0.060 0.000 2.865 27 H HA 0.481 5.040 4.556 0.005 0.000 0.372 27 H C -2.462 172.848 175.328 -0.029 0.000 1.173 27 H CA -1.510 54.487 56.048 -0.085 0.000 1.147 27 H CB 2.159 31.823 29.762 -0.163 0.000 1.805 27 H HN 0.121 nan 8.280 nan 0.000 0.553 28 P HA 0.083 nan 4.420 nan 0.000 0.274 28 P C -0.208 177.150 177.300 0.096 0.000 1.237 28 P CA -0.394 62.767 63.100 0.101 0.000 0.793 28 P CB 1.052 32.821 31.700 0.115 0.000 0.977 29 S N 0.903 116.701 115.700 0.162 0.000 2.462 29 S HA 0.461 4.934 4.470 0.005 0.000 0.294 29 S C -1.240 173.556 174.600 0.327 0.000 1.144 29 S CA -0.303 58.010 58.200 0.188 0.000 1.088 29 S CB 0.086 63.375 63.200 0.149 0.000 1.009 29 S HN 0.076 nan 8.310 nan 0.000 0.484 30 Y N 2.273 122.593 120.300 0.033 0.000 2.446 30 Y HA 0.323 4.877 4.550 0.006 0.000 0.338 30 Y C 0.839 176.669 175.900 -0.116 0.000 1.055 30 Y CA -1.383 56.650 58.100 -0.113 0.000 1.101 30 Y CB 1.011 39.227 38.460 -0.407 0.000 1.221 30 Y HN 0.546 nan 8.280 nan 0.000 0.460 31 T N -2.190 112.372 114.554 0.014 0.000 2.754 31 T HA 0.270 4.623 4.350 0.005 0.000 0.286 31 T C 1.327 175.998 174.700 -0.048 0.000 0.997 31 T CA -0.568 61.519 62.100 -0.022 0.000 0.982 31 T CB 0.580 69.425 68.868 -0.038 0.000 1.027 31 T HN 0.316 nan 8.240 nan 0.000 0.529 32 V N 1.163 121.064 119.914 -0.022 0.000 2.332 32 V HA -0.171 3.951 4.120 0.005 0.000 0.248 32 V C 2.550 178.632 176.094 -0.020 0.000 1.055 32 V CA 2.201 64.501 62.300 0.000 0.000 1.038 32 V CB -0.792 31.060 31.823 0.047 0.000 0.651 32 V HN 0.872 nan 8.190 nan 0.000 0.450 33 D N -0.622 119.756 120.400 -0.037 0.000 2.144 33 D HA -0.166 4.477 4.640 0.005 0.000 0.200 33 D C 2.322 178.553 176.300 -0.115 0.000 0.978 33 D CA 1.162 55.128 54.000 -0.056 0.000 0.833 33 D CB -0.128 40.642 40.800 -0.050 0.000 0.961 33 D HN 0.547 nan 8.370 nan 0.000 0.470 34 Q N 0.475 120.161 119.800 -0.190 0.000 2.079 34 Q HA -0.036 4.307 4.340 0.005 0.000 0.200 34 Q C 2.227 178.054 176.000 -0.287 0.000 0.974 34 Q CA 1.332 56.920 55.803 -0.357 0.000 0.840 34 Q CB -0.061 28.293 28.738 -0.640 0.000 0.898 34 Q HN 0.192 nan 8.270 nan 0.000 0.430 35 A N 1.049 123.733 122.820 -0.227 0.000 1.898 35 A HA -0.106 4.216 4.320 0.005 0.000 0.216 35 A C 2.300 179.858 177.584 -0.042 0.000 1.181 35 A CA 1.503 53.379 52.037 -0.269 0.000 0.620 35 A CB -0.851 18.044 19.000 -0.176 0.000 0.819 35 A HN 0.391 nan 8.150 nan 0.000 0.442 36 A N -0.059 122.750 122.820 -0.017 0.000 1.908 36 A HA -0.213 4.110 4.320 0.005 0.000 0.218 36 A C 1.914 179.497 177.584 -0.002 0.000 1.181 36 A CA 1.763 53.811 52.037 0.018 0.000 0.627 36 A CB -0.590 18.417 19.000 0.012 0.000 0.818 36 A HN 0.646 nan 8.150 nan 0.000 0.445 37 E N -1.111 119.065 120.200 -0.040 0.000 2.077 37 E HA -0.265 4.088 4.350 0.005 0.000 0.193 37 E C 2.254 178.850 176.600 -0.008 0.000 0.989 37 E CA 1.402 57.777 56.400 -0.042 0.000 0.800 37 E CB -0.132 29.520 29.700 -0.079 0.000 0.746 37 E HN 0.697 nan 8.360 nan 0.000 0.452 38 Q N 0.907 120.718 119.800 0.019 0.000 2.084 38 Q HA -0.144 4.199 4.340 0.005 0.000 0.202 38 Q C 1.779 177.837 176.000 0.097 0.000 0.978 38 Q CA 1.318 57.178 55.803 0.096 0.000 0.844 38 Q CB -0.012 28.840 28.738 0.190 0.000 0.898 38 Q HN 0.048 nan 8.270 nan 0.000 0.426 39 I N -0.034 120.598 120.570 0.103 0.000 2.493 39 I HA -0.161 4.012 4.170 0.005 0.000 0.254 39 I C 1.708 177.842 176.117 0.027 0.000 1.160 39 I CA 0.317 61.669 61.300 0.085 0.000 1.445 39 I CB -0.054 38.013 38.000 0.112 0.000 1.086 39 I HN -0.059 nan 8.210 nan 0.000 0.433 40 L N 0.902 122.130 121.223 0.009 0.000 2.653 40 L HA 0.106 4.449 4.340 0.005 0.000 0.231 40 L C 2.339 179.192 176.870 -0.028 0.000 1.153 40 L CA -0.053 54.773 54.840 -0.023 0.000 0.933 40 L CB -0.402 41.633 42.059 -0.041 0.000 1.175 40 L HN 0.276 nan 8.230 nan 0.000 0.473 41 R N 0.079 120.571 120.500 -0.013 0.000 2.200 41 R HA -0.232 4.111 4.340 0.005 0.000 0.234 41 R C 1.641 177.924 176.300 -0.028 0.000 1.127 41 R CA 1.539 57.630 56.100 -0.015 0.000 0.989 41 R CB -0.247 30.054 30.300 0.003 0.000 0.869 41 R HN 0.201 nan 8.270 nan 0.000 0.459 42 E N 1.462 121.639 120.200 -0.039 0.000 2.274 42 E HA -0.142 4.211 4.350 0.005 0.000 0.194 42 E C 0.040 176.610 176.600 -0.051 0.000 0.996 42 E CA 0.855 57.227 56.400 -0.048 0.000 0.840 42 E CB 0.048 29.712 29.700 -0.059 0.000 0.772 42 E HN 0.465 nan 8.360 nan 0.000 0.491 43 Q N -1.484 118.285 119.800 -0.053 0.000 2.487 43 Q HA -0.231 4.112 4.340 0.005 0.000 0.279 43 Q C -0.965 174.995 176.000 -0.066 0.000 1.228 43 Q CA 0.359 56.126 55.803 -0.059 0.000 0.873 43 Q CB -2.212 26.496 28.738 -0.049 0.000 1.260 43 Q HN 0.335 nan 8.270 nan 0.000 0.471 44 A N 1.262 124.039 122.820 -0.071 0.000 2.330 44 A HA 0.835 5.158 4.320 0.005 0.000 0.327 44 A C 0.285 177.829 177.584 -0.067 0.000 1.155 44 A CA 0.118 52.105 52.037 -0.083 0.000 0.803 44 A CB 1.071 20.017 19.000 -0.091 0.000 1.208 44 A HN 0.440 nan 8.150 nan 0.000 0.477 45 S N 0.404 116.067 115.700 -0.062 0.000 2.587 45 S HA 0.575 5.048 4.470 0.005 0.000 0.269 45 S C -1.519 173.121 174.600 0.068 0.000 1.154 45 S CA -0.737 57.504 58.200 0.068 0.000 0.824 45 S CB 0.638 63.847 63.200 0.015 0.000 1.118 45 S HN 0.458 nan 8.310 nan 0.000 0.462 46 W N 2.477 123.905 121.300 0.214 0.000 2.251 46 W HA 0.333 4.995 4.660 0.002 0.000 0.329 46 W C -0.152 176.443 176.519 0.127 0.000 1.234 46 W CA -0.020 57.389 57.345 0.106 0.000 1.228 46 W CB 0.849 30.318 29.460 0.016 0.000 1.135 46 W HN 0.479 nan 8.180 nan 0.000 0.576 47 Q N 2.137 122.100 119.800 0.272 0.000 2.256 47 Q HA 0.410 4.753 4.340 0.005 0.000 0.254 47 Q C -0.609 175.487 176.000 0.161 0.000 0.916 47 Q CA -0.714 55.194 55.803 0.175 0.000 0.932 47 Q CB 1.421 30.215 28.738 0.093 0.000 1.207 47 Q HN 0.333 nan 8.270 nan 0.000 0.426 48 K N 1.627 122.108 120.400 0.134 0.000 2.270 48 K HA 0.418 4.741 4.320 0.005 0.000 0.276 48 K C -0.207 176.429 176.600 0.060 0.000 1.023 48 K CA -0.252 56.087 56.287 0.087 0.000 0.955 48 K CB 1.018 33.569 32.500 0.084 0.000 0.975 48 K HN 0.789 nan 8.250 nan 0.000 0.471 49 A N 4.538 127.382 122.820 0.041 0.000 2.520 49 A HA 0.122 4.444 4.320 0.005 0.000 0.235 49 A C -2.015 175.586 177.584 0.028 0.000 1.065 49 A CA -0.971 51.084 52.037 0.031 0.000 0.764 49 A CB -0.539 18.473 19.000 0.020 0.000 1.002 49 A HN 0.493 nan 8.150 nan 0.000 0.502 50 P HA 0.119 nan 4.420 nan 0.000 0.260 50 P C 0.971 178.282 177.300 0.018 0.000 1.185 50 P CA 1.555 64.667 63.100 0.021 0.000 0.763 50 P CB 0.499 32.209 31.700 0.016 0.000 0.776 51 G N 4.380 113.192 108.800 0.020 0.000 2.336 51 G HA2 -0.288 3.675 3.960 0.005 0.000 0.233 51 G HA3 -0.288 3.675 3.960 0.005 0.000 0.233 51 G C -0.381 174.531 174.900 0.019 0.000 1.053 51 G CA -0.299 44.812 45.100 0.018 0.000 0.625 51 G HN 0.320 nan 8.290 nan 0.000 0.511 52 D N 1.531 121.942 120.400 0.020 0.000 2.450 52 D HA 0.222 4.865 4.640 0.005 0.000 0.247 52 D C 1.614 177.928 176.300 0.024 0.000 1.162 52 D CA -0.064 53.947 54.000 0.018 0.000 0.879 52 D CB 0.765 41.574 40.800 0.015 0.000 1.163 52 D HN -0.020 nan 8.370 nan 0.000 0.472 53 S N 2.984 118.697 115.700 0.021 0.000 2.486 53 S HA 0.002 4.475 4.470 0.005 0.000 0.220 53 S C 0.587 175.201 174.600 0.024 0.000 1.011 53 S CA 0.266 58.483 58.200 0.028 0.000 0.921 53 S CB 0.529 63.745 63.200 0.027 0.000 0.785 53 S HN 0.019 nan 8.310 nan 0.000 0.517 54 V N 2.609 122.527 119.914 0.007 0.000 2.417 54 V HA 0.276 4.399 4.120 0.005 0.000 0.291 54 V C -0.069 176.001 176.094 -0.040 0.000 1.024 54 V CA -1.269 61.022 62.300 -0.015 0.000 0.861 54 V CB 0.656 32.469 31.823 -0.016 0.000 0.985 54 V HN -0.490 nan 8.190 nan 0.000 0.436 55 L N 5.792 126.956 121.223 -0.099 0.000 2.290 55 L HA 0.480 4.823 4.340 0.005 0.000 0.284 55 L C -0.013 176.718 176.870 -0.232 0.000 1.078 55 L CA 0.583 55.323 54.840 -0.166 0.000 0.815 55 L CB 0.206 42.096 42.059 -0.281 0.000 1.162 55 L HN 0.150 nan 8.230 nan 0.000 0.435 56 T N 6.832 121.272 114.554 -0.190 0.000 2.771 56 T HA 0.608 4.961 4.350 0.005 0.000 0.281 56 T C -0.388 174.134 174.700 -0.296 0.000 0.982 56 T CA -0.292 61.677 62.100 -0.219 0.000 0.978 56 T CB 0.649 69.454 68.868 -0.104 0.000 0.930 56 T HN 0.451 nan 8.240 nan 0.000 0.447 57 L N 3.635 124.636 121.223 -0.370 0.000 2.386 57 L HA 0.569 4.911 4.340 0.005 0.000 0.271 57 L C 0.336 177.139 176.870 -0.111 0.000 0.993 57 L CA -0.911 53.734 54.840 -0.326 0.000 0.819 57 L CB 2.055 43.824 42.059 -0.484 0.000 1.294 57 L HN 0.776 nan 8.230 nan 0.000 0.414 58 S N 1.455 117.085 115.700 -0.117 0.000 2.687 58 S HA 0.724 5.197 4.470 0.005 0.000 0.283 58 S C -1.218 173.379 174.600 -0.005 0.000 1.170 58 S CA -0.657 57.487 58.200 -0.093 0.000 1.008 58 S CB 1.234 64.337 63.200 -0.162 0.000 1.026 58 S HN 0.404 nan 8.310 nan 0.000 0.541 59 Y N -0.218 120.010 120.300 -0.119 0.000 2.562 59 Y HA 0.763 5.315 4.550 0.004 0.000 0.345 59 Y C -1.381 174.361 175.900 -0.263 0.000 1.045 59 Y CA -1.217 56.773 58.100 -0.183 0.000 1.028 59 Y CB 1.449 39.819 38.460 -0.151 0.000 1.297 59 Y HN 0.750 nan 8.280 nan 0.000 0.463 60 S N 1.528 117.087 115.700 -0.236 0.000 2.570 60 S HA 0.537 5.010 4.470 0.005 0.000 0.270 60 S C -1.757 172.576 174.600 -0.446 0.000 1.149 60 S CA -0.570 57.435 58.200 -0.325 0.000 0.837 60 S CB 1.280 64.388 63.200 -0.154 0.000 1.124 60 S HN 0.528 nan 8.310 nan 0.000 0.465 61 F N 2.195 122.175 119.950 0.050 0.000 2.388 61 F HA 0.428 4.959 4.527 0.006 0.000 0.358 61 F C 0.270 176.082 175.800 0.020 0.000 1.122 61 F CA -0.834 57.161 58.000 -0.008 0.000 1.056 61 F CB 0.899 39.884 39.000 -0.024 0.000 1.155 61 F HN 0.196 nan 8.300 nan 0.000 0.461 62 L N 2.585 123.888 121.223 0.133 0.000 2.543 62 L HA 0.026 4.369 4.340 0.005 0.000 0.285 62 L C 1.345 178.412 176.870 0.328 0.000 1.236 62 L CA 0.364 55.311 54.840 0.178 0.000 0.871 62 L CB 0.454 42.628 42.059 0.193 0.000 1.121 62 L HN 0.829 nan 8.230 nan 0.000 0.501 63 T N -1.881 112.800 114.554 0.210 0.000 3.010 63 T HA 0.182 4.535 4.350 0.005 0.000 0.257 63 T C 0.142 174.937 174.700 0.158 0.000 1.020 63 T CA -0.331 61.909 62.100 0.233 0.000 0.938 63 T CB 0.211 69.154 68.868 0.125 0.000 1.049 63 T HN 0.697 nan 8.240 nan 0.000 0.522 64 K N 0.049 120.314 120.400 -0.226 0.000 2.579 64 K HA 0.637 4.960 4.320 0.005 0.000 0.284 64 K C -3.618 172.258 176.600 -1.208 0.000 0.990 64 K CA -2.241 53.668 56.287 -0.630 0.000 0.880 64 K CB 0.667 33.018 32.500 -0.249 0.000 1.488 64 K HN -0.251 nan 8.250 nan 0.000 0.425 65 P HA 0.037 nan 4.420 nan 0.000 0.269 65 P C -1.120 176.013 177.300 -0.278 0.000 1.209 65 P CA -0.191 62.408 63.100 -0.836 0.000 0.776 65 P CB 0.382 31.797 31.700 -0.474 0.000 0.876 66 N N 2.910 121.605 118.700 -0.008 0.000 2.671 66 N HA 0.139 4.882 4.740 0.005 0.000 0.303 66 N C 0.592 176.148 175.510 0.076 0.000 1.277 66 N CA -0.702 52.385 53.050 0.062 0.000 0.933 66 N CB 0.116 38.697 38.487 0.157 0.000 1.190 66 N HN -0.186 nan 8.380 nan 0.000 0.600 67 D N 0.119 120.549 120.400 0.050 0.000 2.123 67 D HA -0.164 4.479 4.640 0.005 0.000 0.196 67 D C 2.191 178.508 176.300 0.028 0.000 0.992 67 D CA 0.984 55.009 54.000 0.042 0.000 0.833 67 D CB -0.084 40.759 40.800 0.071 0.000 0.954 67 D HN 0.414 nan 8.370 nan 0.000 0.455 68 F N 1.370 121.210 119.950 -0.183 0.000 2.095 68 F HA -0.266 4.264 4.527 0.006 0.000 0.298 68 F C 2.102 177.794 175.800 -0.180 0.000 1.104 68 F CA 0.923 58.752 58.000 -0.285 0.000 1.232 68 F CB -0.313 38.470 39.000 -0.362 0.000 0.987 68 F HN -0.247 nan 8.300 nan 0.000 0.475 69 F N 1.373 121.014 119.950 -0.515 0.000 2.126 69 F HA -0.308 4.221 4.527 0.005 0.000 0.299 69 F C 1.208 176.697 175.800 -0.519 0.000 1.096 69 F CA 0.795 58.399 58.000 -0.660 0.000 1.255 69 F CB -0.210 38.586 39.000 -0.341 0.000 0.997 69 F HN -0.422 nan 8.300 nan 0.000 0.479 70 N N -0.576 118.050 118.700 -0.124 0.000 2.142 70 N HA 0.001 4.744 4.740 0.005 0.000 0.186 70 N C 0.229 175.438 175.510 -0.502 0.000 1.023 70 N CA 0.439 53.391 53.050 -0.164 0.000 0.852 70 N CB 0.291 38.750 38.487 -0.047 0.000 0.998 70 N HN 0.113 nan 8.380 nan 0.000 0.424 71 T N -2.066 112.070 114.554 -0.696 0.000 3.504 71 T HA 0.511 4.864 4.350 0.005 0.000 0.286 71 T C -2.192 171.778 174.700 -1.216 0.000 1.530 71 T CA -1.777 59.484 62.100 -1.399 0.000 1.652 71 T CB 0.526 68.770 68.868 -1.039 0.000 0.895 71 T HN -0.253 nan 8.240 nan 0.000 0.674 72 P HA -0.130 nan 4.420 nan 0.000 0.216 72 P C 1.346 178.476 177.300 -0.283 0.000 1.157 72 P CA 1.395 64.060 63.100 -0.724 0.000 0.880 72 P CB -0.252 31.025 31.700 -0.705 0.000 0.791 73 W N -0.044 121.179 121.300 -0.129 0.000 2.389 73 W HA -0.079 4.584 4.660 0.005 0.000 0.267 73 W C 0.750 177.217 176.519 -0.086 0.000 1.219 73 W CA 0.264 57.579 57.345 -0.050 0.000 1.189 73 W CB -1.215 28.250 29.460 0.009 0.000 1.129 73 W HN -0.420 nan 8.180 nan 0.000 0.581 74 K N -0.006 120.089 120.400 -0.508 0.000 2.432 74 K HA 0.002 4.325 4.320 0.005 0.000 0.196 74 K C 1.084 177.275 176.600 -0.682 0.000 1.038 74 K CA 0.198 56.143 56.287 -0.571 0.000 0.986 74 K CB -0.142 31.819 32.500 -0.899 0.000 0.782 74 K HN 0.329 nan 8.250 nan 0.000 0.485 75 Y N -0.809 119.469 120.300 -0.036 0.000 2.664 75 Y HA 0.071 4.624 4.550 0.005 0.000 0.278 75 Y C 0.621 176.555 175.900 0.057 0.000 1.130 75 Y CA -0.706 57.404 58.100 0.016 0.000 1.260 75 Y CB 0.745 39.251 38.460 0.077 0.000 1.369 75 Y HN -0.239 nan 8.280 nan 0.000 0.499 76 V N -1.744 118.326 119.914 0.259 0.000 2.588 76 V HA 0.560 4.683 4.120 0.005 0.000 0.304 76 V C 0.768 176.943 176.094 0.136 0.000 1.042 76 V CA -0.933 61.482 62.300 0.191 0.000 0.877 76 V CB 2.038 34.002 31.823 0.234 0.000 0.996 76 V HN 0.084 nan 8.190 nan 0.000 0.425 77 S N 3.314 119.072 115.700 0.097 0.000 2.370 77 S HA -0.219 4.254 4.470 0.005 0.000 0.226 77 S C 1.617 176.270 174.600 0.089 0.000 1.033 77 S CA 2.452 60.705 58.200 0.089 0.000 1.011 77 S CB 0.023 63.257 63.200 0.056 0.000 0.852 77 S HN 0.975 nan 8.310 nan 0.000 0.457 78 D N 0.873 121.308 120.400 0.058 0.000 2.224 78 D HA -0.109 4.534 4.640 0.005 0.000 0.205 78 D C 0.383 176.708 176.300 0.042 0.000 0.965 78 D CA 0.523 54.545 54.000 0.038 0.000 0.852 78 D CB -0.236 40.567 40.800 0.006 0.000 0.947 78 D HN 0.274 nan 8.370 nan 0.000 0.494 79 I N 0.847 121.437 120.570 0.034 0.000 2.325 79 I HA 0.060 4.233 4.170 0.005 0.000 0.291 79 I C 0.472 176.660 176.117 0.118 0.000 1.019 79 I CA -0.725 60.573 61.300 -0.003 0.000 1.302 79 I CB 1.276 39.184 38.000 -0.153 0.000 1.401 79 I HN -0.148 nan 8.210 nan 0.000 0.485 80 Y N 5.597 125.926 120.300 0.049 0.000 2.464 80 Y HA 0.360 4.913 4.550 0.005 0.000 0.288 80 Y C 0.634 176.660 175.900 0.210 0.000 1.133 80 Y CA 0.067 58.276 58.100 0.182 0.000 1.223 80 Y CB 0.713 39.178 38.460 0.007 0.000 1.187 80 Y HN 0.634 nan 8.280 nan 0.000 0.539 81 S N -0.930 114.669 115.700 -0.169 0.000 2.536 81 S HA 0.300 4.773 4.470 0.005 0.000 0.271 81 S C -0.782 173.663 174.600 -0.259 0.000 1.134 81 S CA -0.458 57.572 58.200 -0.283 0.000 0.897 81 S CB 1.176 64.294 63.200 -0.136 0.000 1.094 81 S HN -0.288 nan 8.310 nan 0.000 0.473 82 L N 3.802 124.748 121.223 -0.461 0.000 2.693 82 L HA 0.333 4.676 4.340 0.005 0.000 0.235 82 L C 1.042 177.902 176.870 -0.017 0.000 1.127 82 L CA -0.199 54.404 54.840 -0.394 0.000 0.914 82 L CB 0.040 41.514 42.059 -0.975 0.000 1.193 82 L HN 0.476 nan 8.230 nan 0.000 0.502 83 G N 1.587 110.382 108.800 -0.007 0.000 2.509 83 G HA2 -0.299 3.664 3.960 0.005 0.000 0.256 83 G HA3 -0.299 3.664 3.960 0.005 0.000 0.256 83 G C -0.247 174.866 174.900 0.354 0.000 1.152 83 G CA -0.568 44.640 45.100 0.181 0.000 0.951 83 G HN -0.077 nan 8.290 nan 0.000 0.559 84 K N -0.356 120.288 120.400 0.407 0.000 2.159 84 K HA 0.339 4.662 4.320 0.005 0.000 0.266 84 K C -0.106 176.813 176.600 0.533 0.000 0.975 84 K CA -0.812 55.741 56.287 0.442 0.000 0.865 84 K CB 0.775 33.431 32.500 0.259 0.000 1.087 84 K HN -0.074 nan 8.250 nan 0.000 0.446 85 F N 3.778 123.853 119.950 0.208 0.000 2.389 85 F HA 0.390 4.920 4.527 0.005 0.000 0.337 85 F C -0.444 175.394 175.800 0.063 0.000 1.112 85 F CA 0.090 58.027 58.000 -0.106 0.000 1.192 85 F CB 0.764 39.320 39.000 -0.739 0.000 1.185 85 F HN 0.895 nan 8.300 nan 0.000 0.552 86 S N 4.696 119.783 115.700 -1.021 0.000 2.536 86 S HA 0.724 5.197 4.470 0.005 0.000 0.271 86 S C -1.550 172.522 174.600 -0.880 0.000 1.134 86 S CA -1.229 56.564 58.200 -0.679 0.000 0.897 86 S CB 1.686 64.767 63.200 -0.199 0.000 1.094 86 S HN 0.781 nan 8.310 nan 0.000 0.473 87 A N 2.288 124.880 122.820 -0.380 0.000 2.304 87 A HA 0.531 4.854 4.320 0.005 0.000 0.271 87 A C -0.606 177.037 177.584 0.099 0.000 1.091 87 A CA -0.330 51.677 52.037 -0.049 0.000 0.812 87 A CB -0.019 19.063 19.000 0.137 0.000 1.056 87 A HN 0.530 nan 8.150 nan 0.000 0.489 88 F N 1.697 121.604 119.950 -0.071 0.000 2.572 88 F HA 0.109 4.639 4.527 0.005 0.000 0.370 88 F C 1.601 177.285 175.800 -0.194 0.000 1.103 88 F CA -0.406 57.509 58.000 -0.142 0.000 1.286 88 F CB 0.257 39.153 39.000 -0.172 0.000 1.105 88 F HN 0.722 nan 8.300 nan 0.000 0.583 89 S N 2.576 118.180 115.700 -0.161 0.000 2.634 89 S HA 0.450 4.923 4.470 0.005 0.000 0.261 89 S C 1.159 175.632 174.600 -0.213 0.000 1.271 89 S CA -0.482 57.618 58.200 -0.166 0.000 0.985 89 S CB 0.857 63.945 63.200 -0.187 0.000 0.968 89 S HN 0.581 nan 8.310 nan 0.000 0.568 90 A N 1.139 123.853 122.820 -0.177 0.000 1.933 90 A HA -0.208 4.115 4.320 0.005 0.000 0.218 90 A C 2.235 179.692 177.584 -0.212 0.000 1.175 90 A CA 1.775 53.699 52.037 -0.187 0.000 0.628 90 A CB -1.062 17.861 19.000 -0.129 0.000 0.814 90 A HN 0.878 nan 8.150 nan 0.000 0.444 91 Q N -0.111 119.567 119.800 -0.203 0.000 2.050 91 Q HA -0.205 4.138 4.340 0.005 0.000 0.202 91 Q C 2.125 177.958 176.000 -0.279 0.000 0.980 91 Q CA 2.334 58.013 55.803 -0.206 0.000 0.840 91 Q CB -0.420 28.207 28.738 -0.186 0.000 0.898 91 Q HN 0.751 nan 8.270 nan 0.000 0.424 92 Q N -0.555 119.010 119.800 -0.391 0.000 2.084 92 Q HA -0.188 4.155 4.340 0.005 0.000 0.202 92 Q C 2.261 178.006 176.000 -0.425 0.000 0.978 92 Q CA 1.571 57.019 55.803 -0.591 0.000 0.844 92 Q CB -0.051 28.002 28.738 -1.143 0.000 0.898 92 Q HN 0.552 nan 8.270 nan 0.000 0.426 93 Q N 0.001 119.560 119.800 -0.402 0.000 2.084 93 Q HA -0.142 4.201 4.340 0.005 0.000 0.202 93 Q C 2.147 177.963 176.000 -0.306 0.000 0.978 93 Q CA 1.249 56.705 55.803 -0.577 0.000 0.844 93 Q CB -0.192 27.997 28.738 -0.916 0.000 0.898 93 Q HN 0.359 nan 8.270 nan 0.000 0.426 94 A N 1.012 123.690 122.820 -0.236 0.000 1.877 94 A HA -0.217 4.105 4.320 0.005 0.000 0.216 94 A C 2.083 179.592 177.584 -0.126 0.000 1.186 94 A CA 1.246 53.197 52.037 -0.143 0.000 0.620 94 A CB -0.369 18.556 19.000 -0.125 0.000 0.822 94 A HN 0.241 nan 8.150 nan 0.000 0.443 95 Q N -0.859 118.844 119.800 -0.161 0.000 2.119 95 Q HA -0.090 4.253 4.340 0.005 0.000 0.201 95 Q C 1.814 177.727 176.000 -0.146 0.000 0.972 95 Q CA 0.109 55.827 55.803 -0.143 0.000 0.847 95 Q CB -0.121 28.514 28.738 -0.172 0.000 0.903 95 Q HN 0.417 nan 8.270 nan 0.000 0.433 96 A N 0.845 123.554 122.820 -0.186 0.000 1.902 96 A HA -0.009 4.314 4.320 0.005 0.000 0.217 96 A C 1.439 178.871 177.584 -0.254 0.000 1.181 96 A CA 1.119 53.009 52.037 -0.244 0.000 0.623 96 A CB -0.305 18.478 19.000 -0.362 0.000 0.818 96 A HN 0.034 nan 8.150 nan 0.000 0.443 97 K N -0.219 120.075 120.400 -0.177 0.000 2.097 97 K HA -0.073 4.250 4.320 0.005 0.000 0.206 97 K C 1.797 178.344 176.600 -0.089 0.000 1.049 97 K CA 0.274 56.469 56.287 -0.153 0.000 0.933 97 K CB -0.156 32.341 32.500 -0.006 0.000 0.717 97 K HN 0.392 nan 8.250 nan 0.000 0.442 98 L N 0.668 121.858 121.223 -0.054 0.000 2.056 98 L HA -0.112 4.231 4.340 0.005 0.000 0.207 98 L C 2.890 179.761 176.870 0.000 0.000 1.078 98 L CA 0.553 55.395 54.840 0.004 0.000 0.749 98 L CB -0.098 41.971 42.059 0.015 0.000 0.901 98 L HN 0.017 nan 8.230 nan 0.000 0.433 99 S N 0.375 116.045 115.700 -0.051 0.000 2.368 99 S HA -0.117 4.356 4.470 0.005 0.000 0.225 99 S C 2.629 177.242 174.600 0.021 0.000 1.030 99 S CA 1.772 59.947 58.200 -0.043 0.000 0.999 99 S CB -0.068 63.133 63.200 0.001 0.000 0.844 99 S HN 0.238 nan 8.310 nan 0.000 0.459 100 L N 1.531 122.702 121.223 -0.086 0.000 2.042 100 L HA -0.195 4.148 4.340 0.005 0.000 0.210 100 L C 2.313 179.241 176.870 0.096 0.000 1.076 100 L CA 1.060 55.760 54.840 -0.233 0.000 0.749 100 L CB -0.516 41.083 42.059 -0.767 0.000 0.893 100 L HN 0.113 nan 8.230 nan 0.000 0.432 101 Q N -0.076 119.780 119.800 0.092 0.000 2.124 101 Q HA -0.220 4.123 4.340 0.005 0.000 0.202 101 Q C 2.156 178.285 176.000 0.214 0.000 0.977 101 Q CA 1.900 57.822 55.803 0.198 0.000 0.850 101 Q CB -0.058 28.769 28.738 0.149 0.000 0.901 101 Q HN 0.598 nan 8.270 nan 0.000 0.429 102 S N -0.857 114.913 115.700 0.118 0.000 2.423 102 S HA -0.176 4.297 4.470 0.005 0.000 0.231 102 S C 1.304 175.869 174.600 -0.058 0.000 1.014 102 S CA 1.055 59.258 58.200 0.004 0.000 0.965 102 S CB -0.320 62.690 63.200 -0.317 0.000 0.785 102 S HN 0.383 nan 8.310 nan 0.000 0.495 103 W N 3.292 124.665 121.300 0.122 0.000 2.481 103 W HA 0.159 4.822 4.660 0.005 0.000 0.293 103 W C 2.470 179.094 176.519 0.176 0.000 1.201 103 W CA 0.476 57.910 57.345 0.148 0.000 1.328 103 W CB -0.211 29.370 29.460 0.202 0.000 1.112 103 W HN 0.246 nan 8.180 nan 0.000 0.546 104 S N 0.137 116.140 115.700 0.505 0.000 2.447 104 S HA -0.161 4.312 4.470 0.005 0.000 0.233 104 S C 1.024 175.755 174.600 0.218 0.000 1.006 104 S CA 0.391 58.766 58.200 0.293 0.000 0.957 104 S CB -0.152 63.226 63.200 0.297 0.000 0.773 104 S HN -0.263 nan 8.310 nan 0.000 0.507 105 D N 2.024 122.572 120.400 0.247 0.000 2.178 105 D HA -0.021 4.622 4.640 0.005 0.000 0.202 105 D C 1.856 178.300 176.300 0.240 0.000 0.974 105 D CA 0.273 54.433 54.000 0.267 0.000 0.841 105 D CB 0.407 41.402 40.800 0.326 0.000 0.953 105 D HN 0.316 nan 8.370 nan 0.000 0.478 106 V N -3.608 116.358 119.914 0.087 0.000 3.590 106 V HA 0.162 4.284 4.120 0.005 0.000 0.265 106 V C 0.888 176.798 176.094 -0.306 0.000 1.239 106 V CA -0.050 62.078 62.300 -0.287 0.000 1.117 106 V CB 0.293 31.953 31.823 -0.272 0.000 0.818 106 V HN -0.271 nan 8.190 nan 0.000 0.451 107 T N 0.391 114.922 114.554 -0.038 0.000 2.838 107 T HA 0.399 4.752 4.350 0.005 0.000 0.292 107 T C -0.764 173.949 174.700 0.022 0.000 1.113 107 T CA -0.614 61.483 62.100 -0.004 0.000 1.008 107 T CB 1.627 70.555 68.868 0.100 0.000 1.259 107 T HN 0.402 nan 8.240 nan 0.000 0.520 108 N N 1.993 120.711 118.700 0.029 0.000 3.178 108 N HA 0.233 4.976 4.740 0.005 0.000 0.300 108 N C -0.686 174.768 175.510 -0.093 0.000 1.242 108 N CA 0.296 53.346 53.050 0.000 0.000 1.192 108 N CB 0.171 38.677 38.487 0.032 0.000 1.463 108 N HN 0.037 nan 8.380 nan 0.000 0.539 109 I N 0.737 121.203 120.570 -0.173 0.000 2.545 109 I HA 0.144 4.317 4.170 0.005 0.000 0.292 109 I C -0.310 175.604 176.117 -0.340 0.000 1.040 109 I CA -0.669 60.394 61.300 -0.396 0.000 1.068 109 I CB 1.430 39.013 38.000 -0.696 0.000 1.251 109 I HN -0.464 nan 8.210 nan 0.000 0.424 110 H N 6.450 125.251 119.070 -0.449 0.000 2.587 110 H HA 0.429 4.987 4.556 0.004 0.000 0.325 110 H C -1.614 173.519 175.328 -0.326 0.000 1.012 110 H CA -0.707 55.174 56.048 -0.277 0.000 1.213 110 H CB 1.048 30.729 29.762 -0.136 0.000 1.431 110 H HN 0.335 nan 8.280 nan 0.000 0.492 111 F N 4.970 124.890 119.950 -0.049 0.000 2.404 111 F HA 0.137 4.669 4.527 0.007 0.000 0.345 111 F C 0.396 176.105 175.800 -0.151 0.000 1.110 111 F CA -0.668 57.299 58.000 -0.055 0.000 1.130 111 F CB 0.428 39.499 39.000 0.118 0.000 1.129 111 F HN -0.030 nan 8.300 nan 0.000 0.500 112 V N 5.066 124.959 119.914 -0.034 0.000 2.417 112 V HA 0.112 4.234 4.120 0.005 0.000 0.291 112 V C 0.269 176.109 176.094 -0.425 0.000 1.024 112 V CA -1.155 61.014 62.300 -0.218 0.000 0.861 112 V CB 1.140 32.790 31.823 -0.288 0.000 0.985 112 V HN -0.068 nan 8.190 nan 0.000 0.436 113 D N 4.279 124.401 120.400 -0.464 0.000 2.342 113 D HA 0.245 4.888 4.640 0.005 0.000 0.260 113 D C 0.753 176.768 176.300 -0.476 0.000 1.278 113 D CA 0.152 53.677 54.000 -0.792 0.000 0.910 113 D CB 1.628 42.261 40.800 -0.278 0.000 1.079 113 D HN 0.650 nan 8.370 nan 0.000 0.496 114 A N 3.154 125.657 122.820 -0.529 0.000 2.275 114 A HA 0.524 4.847 4.320 0.005 0.000 0.212 114 A C 1.332 178.819 177.584 -0.162 0.000 1.201 114 A CA 0.653 52.529 52.037 -0.268 0.000 0.843 114 A CB -0.403 18.460 19.000 -0.229 0.000 0.873 114 A HN 0.862 nan 8.150 nan 0.000 0.492 115 G N -0.406 108.313 108.800 -0.136 0.000 2.525 115 G HA2 -0.178 3.785 3.960 0.005 0.000 0.248 115 G HA3 -0.178 3.785 3.960 0.005 0.000 0.248 115 G C -0.646 174.320 174.900 0.109 0.000 1.238 115 G CA -0.149 44.962 45.100 0.018 0.000 0.926 115 G HN 0.488 nan 8.290 nan 0.000 0.574 116 Q N 1.571 121.434 119.800 0.106 0.000 2.278 116 Q HA 0.636 4.979 4.340 0.005 0.000 0.257 116 Q C 0.670 176.712 176.000 0.070 0.000 0.928 116 Q CA 0.534 56.417 55.803 0.134 0.000 0.932 116 Q CB 0.803 29.610 28.738 0.114 0.000 1.221 116 Q HN 2.307 nan 8.270 nan 0.000 0.434 117 G N 2.141 110.982 108.800 0.068 0.000 2.320 117 G HA2 -0.024 3.939 3.960 0.005 0.000 0.274 117 G HA3 -0.024 3.939 3.960 0.005 0.000 0.274 117 G C -1.235 173.665 174.900 0.000 0.000 1.324 117 G CA -0.093 45.023 45.100 0.027 0.000 0.957 117 G HN 0.549 nan 8.290 nan 0.000 0.481 118 D N -0.479 119.911 120.400 -0.016 0.000 2.501 118 D HA 0.075 4.718 4.640 0.005 0.000 0.224 118 D C 1.698 177.976 176.300 -0.037 0.000 1.202 118 D CA 0.497 54.480 54.000 -0.028 0.000 0.829 118 D CB 0.161 40.951 40.800 -0.017 0.000 1.023 118 D HN 0.509 nan 8.370 nan 0.000 0.499 119 Q N 1.405 121.179 119.800 -0.044 0.000 2.389 119 Q HA 0.012 4.355 4.340 0.005 0.000 0.204 119 Q C 1.132 177.093 176.000 -0.064 0.000 0.944 119 Q CA -0.138 55.636 55.803 -0.048 0.000 0.908 119 Q CB 0.019 28.729 28.738 -0.048 0.000 1.002 119 Q HN 0.097 nan 8.270 nan 0.000 0.493 120 G N 1.467 110.215 108.800 -0.087 0.000 2.483 120 G HA2 -0.014 3.949 3.960 0.005 0.000 0.248 120 G HA3 -0.014 3.949 3.960 0.005 0.000 0.248 120 G C 0.078 174.937 174.900 -0.068 0.000 1.248 120 G CA -0.592 44.447 45.100 -0.101 0.000 0.838 120 G HN -0.172 nan 8.290 nan 0.000 0.566 121 D N 0.164 120.522 120.400 -0.070 0.000 2.144 121 D HA -0.083 4.560 4.640 0.005 0.000 0.199 121 D C 1.053 177.347 176.300 -0.011 0.000 0.984 121 D CA 1.091 55.072 54.000 -0.032 0.000 0.834 121 D CB 0.189 40.862 40.800 -0.211 0.000 0.955 121 D HN 0.167 nan 8.370 nan 0.000 0.465 122 L N 0.912 122.078 121.223 -0.094 0.000 2.317 122 L HA 0.333 4.676 4.340 0.005 0.000 0.281 122 L C -0.058 176.641 176.870 -0.286 0.000 1.024 122 L CA -0.486 54.244 54.840 -0.184 0.000 0.810 122 L CB 1.023 42.953 42.059 -0.215 0.000 1.240 122 L HN -0.503 nan 8.230 nan 0.000 0.427 123 T N 1.133 115.411 114.554 -0.459 0.000 2.906 123 T HA 0.491 4.844 4.350 0.005 0.000 0.295 123 T C -0.167 174.045 174.700 -0.813 0.000 1.061 123 T CA -1.020 60.806 62.100 -0.456 0.000 1.000 123 T CB 1.115 69.828 68.868 -0.258 0.000 1.103 123 T HN -0.091 nan 8.240 nan 0.000 0.486 124 F N 0.037 119.648 119.950 -0.566 0.000 2.565 124 F HA 0.767 5.297 4.527 0.005 0.000 0.313 124 F C 0.896 176.218 175.800 -0.797 0.000 1.091 124 F CA -1.227 56.315 58.000 -0.764 0.000 0.915 124 F CB 2.130 40.410 39.000 -1.200 0.000 1.208 124 F HN 0.296 nan 8.300 nan 0.000 0.453 125 G N 1.432 109.898 108.800 -0.556 0.000 2.646 125 G HA2 0.428 4.391 3.960 0.005 0.000 0.291 125 G HA3 0.428 4.391 3.960 0.005 0.000 0.291 125 G C -2.063 173.030 174.900 0.321 0.000 1.445 125 G CA -0.966 43.984 45.100 -0.250 0.000 0.814 125 G HN 0.414 nan 8.290 nan 0.000 0.495 126 N N -0.708 118.228 118.700 0.393 0.000 2.404 126 N HA 0.792 5.534 4.740 0.005 0.000 0.297 126 N C -1.028 174.899 175.510 0.694 0.000 1.163 126 N CA -0.323 53.036 53.050 0.514 0.000 0.864 126 N CB 2.134 40.739 38.487 0.196 0.000 1.247 126 N HN 0.572 nan 8.380 nan 0.000 0.510 127 F N -1.009 119.258 119.950 0.528 0.000 2.629 127 F HA 0.562 5.092 4.527 0.005 0.000 0.316 127 F C 0.603 176.602 175.800 0.331 0.000 1.081 127 F CA -1.081 57.236 58.000 0.529 0.000 0.954 127 F CB 1.242 40.566 39.000 0.541 0.000 1.337 127 F HN 0.444 nan 8.300 nan 0.000 0.474 128 S N -0.056 115.871 115.700 0.379 0.000 2.526 128 S HA 0.283 4.756 4.470 0.005 0.000 0.220 128 S C 0.253 174.978 174.600 0.209 0.000 1.017 128 S CA 0.021 58.330 58.200 0.181 0.000 0.930 128 S CB 0.136 63.447 63.200 0.184 0.000 0.856 128 S HN 0.479 nan 8.310 nan 0.000 0.497 129 S N 2.426 118.347 115.700 0.370 0.000 2.422 129 S HA 0.338 4.810 4.470 0.005 0.000 0.298 129 S C -0.787 174.050 174.600 0.394 0.000 1.118 129 S CA -0.438 57.937 58.200 0.292 0.000 1.083 129 S CB 0.393 63.717 63.200 0.206 0.000 0.971 129 S HN 0.049 nan 8.310 nan 0.000 0.478 130 S N 3.964 119.817 115.700 0.255 0.000 2.544 130 S HA 0.078 4.550 4.470 0.005 0.000 0.290 130 S C 0.340 175.075 174.600 0.224 0.000 1.276 130 S CA -0.195 58.153 58.200 0.247 0.000 1.075 130 S CB 0.581 63.852 63.200 0.118 0.000 0.849 130 S HN 0.131 nan 8.310 nan 0.000 0.494 131 V N 3.090 123.159 119.914 0.260 0.000 3.121 131 V HA 0.372 4.495 4.120 0.005 0.000 0.344 131 V C 1.306 177.444 176.094 0.072 0.000 1.390 131 V CA 0.191 62.549 62.300 0.097 0.000 1.177 131 V CB -0.637 31.155 31.823 -0.052 0.000 1.163 131 V HN 1.130 nan 8.190 nan 0.000 0.484 132 G N -0.143 108.711 108.800 0.090 0.000 2.141 132 G HA2 -0.037 3.926 3.960 0.005 0.000 0.231 132 G HA3 -0.037 3.926 3.960 0.005 0.000 0.231 132 G C 0.346 175.284 174.900 0.063 0.000 0.984 132 G CA 0.076 45.214 45.100 0.064 0.000 0.660 132 G HN 1.238 nan 8.290 nan 0.000 0.525 133 G N -2.456 106.394 108.800 0.083 0.000 2.646 133 G HA2 0.734 4.697 3.960 0.005 0.000 0.291 133 G HA3 0.734 4.697 3.960 0.005 0.000 0.291 133 G C 0.591 175.492 174.900 0.002 0.000 1.445 133 G CA 0.999 46.130 45.100 0.052 0.000 0.814 133 G HN 1.357 nan 8.290 nan 0.000 0.495 134 A N -0.754 121.995 122.820 -0.119 0.000 2.014 134 A HA 0.652 4.975 4.320 0.005 0.000 0.218 134 A C 1.342 178.932 177.584 0.010 0.000 1.163 134 A CA 2.385 54.261 52.037 -0.268 0.000 0.652 134 A CB -0.323 18.594 19.000 -0.138 0.000 0.808 134 A HN 2.375 nan 8.150 nan 0.000 0.449 135 A N -2.067 120.841 122.820 0.145 0.000 2.544 135 A HA 0.631 4.954 4.320 0.005 0.000 0.291 135 A C -0.981 176.740 177.584 0.228 0.000 1.055 135 A CA -0.181 51.930 52.037 0.123 0.000 0.651 135 A CB 0.180 19.080 19.000 -0.167 0.000 1.296 135 A HN 1.345 nan 8.150 nan 0.000 0.431 136 F N -2.487 117.476 119.950 0.022 0.000 2.686 136 F HA 0.970 5.500 4.527 0.004 0.000 0.311 136 F C -0.350 175.358 175.800 -0.153 0.000 1.128 136 F CA -0.495 57.472 58.000 -0.054 0.000 0.946 136 F CB 1.125 40.052 39.000 -0.121 0.000 1.336 136 F HN 1.664 nan 8.300 nan 0.000 0.457 137 A N 0.756 123.542 122.820 -0.058 0.000 2.588 137 A HA 0.856 5.179 4.320 0.005 0.000 0.290 137 A C -2.367 174.947 177.584 -0.449 0.000 1.136 137 A CA -0.811 51.109 52.037 -0.196 0.000 0.681 137 A CB 1.216 20.208 19.000 -0.012 0.000 1.282 137 A HN 0.705 nan 8.150 nan 0.000 0.421 138 F N 0.404 120.338 119.950 -0.027 0.000 2.520 138 F HA 0.315 4.844 4.527 0.004 0.000 0.322 138 F C 0.272 176.013 175.800 -0.098 0.000 1.103 138 F CA -0.557 57.387 58.000 -0.093 0.000 0.926 138 F CB 1.005 39.926 39.000 -0.131 0.000 1.154 138 F HN -0.130 nan 8.300 nan 0.000 0.453 139 L N 4.530 125.777 121.223 0.040 0.000 2.472 139 L HA 0.221 4.564 4.340 0.005 0.000 0.260 139 L C -0.915 175.902 176.870 -0.087 0.000 1.209 139 L CA -0.878 53.948 54.840 -0.023 0.000 0.817 139 L CB 0.177 42.198 42.059 -0.064 0.000 1.106 139 L HN 0.162 nan 8.230 nan 0.000 0.479 140 P HA -0.104 nan 4.420 nan 0.000 0.231 140 P C 0.298 177.370 177.300 -0.380 0.000 1.158 140 P CA 0.702 63.511 63.100 -0.485 0.000 0.763 140 P CB 0.000 31.287 31.700 -0.689 0.000 0.805 141 D N -0.813 119.455 120.400 -0.221 0.000 2.434 141 D HA 0.021 4.664 4.640 0.005 0.000 0.232 141 D C 0.433 176.646 176.300 -0.145 0.000 1.166 141 D CA -0.421 53.475 54.000 -0.173 0.000 0.830 141 D CB -0.701 40.026 40.800 -0.121 0.000 0.960 141 D HN 0.054 nan 8.370 nan 0.000 0.497 142 V N -4.003 115.807 119.914 -0.174 0.000 3.193 142 V HA 0.701 4.824 4.120 0.005 0.000 0.320 142 V C -2.580 173.398 176.094 -0.193 0.000 1.112 142 V CA -2.343 59.858 62.300 -0.166 0.000 1.026 142 V CB 0.633 32.338 31.823 -0.197 0.000 1.128 142 V HN -0.241 nan 8.190 nan 0.000 0.452 143 P HA 0.239 nan 4.420 nan 0.000 0.269 143 P C -0.181 177.007 177.300 -0.186 0.000 1.209 143 P CA 0.101 63.114 63.100 -0.146 0.000 0.776 143 P CB 0.293 31.936 31.700 -0.093 0.000 0.876 144 D N 1.535 121.851 120.400 -0.140 0.000 2.239 144 D HA -0.204 4.439 4.640 0.005 0.000 0.202 144 D C 1.754 177.965 176.300 -0.147 0.000 0.993 144 D CA 1.598 55.520 54.000 -0.129 0.000 0.874 144 D CB -0.263 40.491 40.800 -0.076 0.000 0.922 144 D HN 0.377 nan 8.370 nan 0.000 0.464 145 A N -0.491 122.227 122.820 -0.170 0.000 2.121 145 A HA -0.070 4.252 4.320 0.005 0.000 0.218 145 A C 1.322 178.671 177.584 -0.393 0.000 1.154 145 A CA 0.949 52.847 52.037 -0.232 0.000 0.679 145 A CB 0.203 19.080 19.000 -0.205 0.000 0.795 145 A HN -0.089 nan 8.150 nan 0.000 0.458 146 L N -1.867 119.073 121.223 -0.472 0.000 2.803 146 L HA 0.138 4.481 4.340 0.005 0.000 0.246 146 L C 0.631 177.224 176.870 -0.461 0.000 1.100 146 L CA -0.574 53.816 54.840 -0.751 0.000 0.919 146 L CB 0.181 41.440 42.059 -1.333 0.000 1.285 146 L HN -0.190 nan 8.230 nan 0.000 0.522 147 K N 1.351 121.572 120.400 -0.299 0.000 2.511 147 K HA 0.089 4.411 4.320 0.005 0.000 0.280 147 K C 1.158 177.760 176.600 0.004 0.000 1.008 147 K CA 1.148 57.328 56.287 -0.179 0.000 1.050 147 K CB 0.246 32.593 32.500 -0.255 0.000 0.889 147 K HN 0.273 nan 8.250 nan 0.000 0.484 148 G N 2.454 111.332 108.800 0.129 0.000 2.184 148 G HA2 -0.303 3.660 3.960 0.005 0.000 0.264 148 G HA3 -0.303 3.660 3.960 0.005 0.000 0.264 148 G C -0.234 174.653 174.900 -0.021 0.000 0.975 148 G CA 0.046 45.271 45.100 0.209 0.000 0.642 148 G HN 0.472 nan 8.290 nan 0.000 0.536 149 Q N 0.945 120.757 119.800 0.020 0.000 2.261 149 Q HA 0.351 4.694 4.340 0.005 0.000 0.252 149 Q C -0.196 175.737 176.000 -0.111 0.000 0.915 149 Q CA -0.164 55.602 55.803 -0.062 0.000 0.915 149 Q CB 0.891 29.737 28.738 0.180 0.000 1.204 149 Q HN 0.012 nan 8.270 nan 0.000 0.421 150 S N 1.704 117.142 115.700 -0.436 0.000 2.538 150 S HA 0.485 4.958 4.470 0.005 0.000 0.288 150 S C -1.391 172.829 174.600 -0.633 0.000 1.108 150 S CA -0.563 57.386 58.200 -0.419 0.000 0.971 150 S CB 1.399 64.444 63.200 -0.258 0.000 1.041 150 S HN 0.436 nan 8.310 nan 0.000 0.483 151 W N 2.232 123.146 121.300 -0.644 0.000 2.819 151 W HA 0.535 5.198 4.660 0.005 0.000 0.337 151 W C -1.486 174.802 176.519 -0.386 0.000 1.077 151 W CA -0.415 56.720 57.345 -0.351 0.000 1.226 151 W CB 1.379 30.399 29.460 -0.733 0.000 1.419 151 W HN 0.311 nan 8.180 nan 0.000 0.502 152 Y N 2.831 123.465 120.300 0.555 0.000 2.391 152 Y HA 0.467 5.020 4.550 0.004 0.000 0.341 152 Y C -0.266 175.531 175.900 -0.173 0.000 0.965 152 Y CA -1.387 56.877 58.100 0.272 0.000 1.067 152 Y CB 1.191 39.804 38.460 0.255 0.000 1.199 152 Y HN 0.151 nan 8.280 nan 0.000 0.450 153 L N 5.069 126.068 121.223 -0.372 0.000 2.367 153 L HA 0.503 4.846 4.340 0.005 0.000 0.275 153 L C -0.894 175.896 176.870 -0.134 0.000 1.129 153 L CA 0.175 54.598 54.840 -0.695 0.000 0.839 153 L CB -0.139 41.585 42.059 -0.558 0.000 1.133 153 L HN 0.554 nan 8.230 nan 0.000 0.453 154 I N 5.678 126.167 120.570 -0.135 0.000 2.534 154 I HA 0.402 4.575 4.170 0.005 0.000 0.286 154 I C -1.111 175.015 176.117 0.014 0.000 1.094 154 I CA -0.603 60.697 61.300 -0.000 0.000 1.055 154 I CB 1.585 39.575 38.000 -0.016 0.000 1.225 154 I HN 0.810 nan 8.210 nan 0.000 0.435 155 N N 3.321 122.055 118.700 0.056 0.000 2.934 155 N HA 0.323 5.065 4.740 0.005 0.000 0.253 155 N C 0.131 175.673 175.510 0.054 0.000 1.466 155 N CA -0.961 52.124 53.050 0.059 0.000 0.858 155 N CB 0.526 39.057 38.487 0.073 0.000 1.459 155 N HN 0.506 nan 8.380 nan 0.000 0.532 156 S N -0.406 115.322 115.700 0.047 0.000 2.440 156 S HA -0.139 4.334 4.470 0.005 0.000 0.238 156 S C 1.355 175.977 174.600 0.037 0.000 1.010 156 S CA 0.802 59.021 58.200 0.033 0.000 0.972 156 S CB 0.302 63.522 63.200 0.033 0.000 0.774 156 S HN 0.147 nan 8.310 nan 0.000 0.501 157 S N -0.147 115.594 115.700 0.067 0.000 2.470 157 S HA 0.030 4.502 4.470 0.005 0.000 0.222 157 S C 0.194 174.869 174.600 0.125 0.000 1.024 157 S CA 0.007 58.257 58.200 0.084 0.000 0.931 157 S CB 0.485 63.743 63.200 0.097 0.000 0.791 157 S HN 0.121 nan 8.310 nan 0.000 0.513 158 Y N 3.293 123.592 120.300 -0.003 0.000 2.332 158 Y HA 0.339 4.892 4.550 0.005 0.000 0.326 158 Y C 0.542 176.430 175.900 -0.020 0.000 0.978 158 Y CA -0.884 57.212 58.100 -0.007 0.000 1.205 158 Y CB 0.989 39.446 38.460 -0.004 0.000 1.131 158 Y HN 0.065 nan 8.280 nan 0.000 0.462 159 S N 3.785 119.231 115.700 -0.423 0.000 2.603 159 S HA 0.159 4.632 4.470 0.005 0.000 0.232 159 S C 1.442 175.829 174.600 -0.354 0.000 1.016 159 S CA 0.052 58.080 58.200 -0.288 0.000 0.976 159 S CB 0.514 63.606 63.200 -0.180 0.000 0.921 159 S HN 0.596 nan 8.310 nan 0.000 0.516 160 A N 3.345 125.777 122.820 -0.647 0.000 2.024 160 A HA -0.098 4.225 4.320 0.005 0.000 0.220 160 A C 1.719 179.208 177.584 -0.159 0.000 1.164 160 A CA 1.147 52.967 52.037 -0.361 0.000 0.643 160 A CB -0.317 18.488 19.000 -0.325 0.000 0.806 160 A HN 0.313 nan 8.150 nan 0.000 0.451 161 N N -0.268 118.385 118.700 -0.079 0.000 2.422 161 N HA 0.004 4.747 4.740 0.005 0.000 0.181 161 N C 1.440 176.843 175.510 -0.178 0.000 1.080 161 N CA 0.935 53.947 53.050 -0.063 0.000 0.893 161 N CB 0.098 38.633 38.487 0.080 0.000 0.973 161 N HN 0.309 nan 8.380 nan 0.000 0.456 162 V N 1.484 121.301 119.914 -0.161 0.000 2.379 162 V HA -0.053 4.070 4.120 0.005 0.000 0.245 162 V C 0.836 176.819 176.094 -0.186 0.000 1.044 162 V CA 0.919 63.114 62.300 -0.175 0.000 1.036 162 V CB -0.084 31.660 31.823 -0.133 0.000 0.664 162 V HN 0.176 nan 8.190 nan 0.000 0.453 163 N N 0.369 118.971 118.700 -0.162 0.000 2.818 163 N HA 0.413 5.156 4.740 0.005 0.000 0.301 163 N C -2.957 172.472 175.510 -0.134 0.000 1.821 163 N CA -1.216 51.749 53.050 -0.142 0.000 0.930 163 N CB 0.398 38.821 38.487 -0.107 0.000 1.263 163 N HN 0.046 nan 8.380 nan 0.000 0.487 164 P HA 0.251 nan 4.420 nan 0.000 0.271 164 P C -0.717 176.519 177.300 -0.107 0.000 1.216 164 P CA 0.019 63.033 63.100 -0.144 0.000 0.776 164 P CB 1.584 33.168 31.700 -0.193 0.000 0.881 165 A N 2.209 124.988 122.820 -0.069 0.000 2.612 165 A HA 0.387 4.710 4.320 0.005 0.000 0.293 165 A C -0.529 177.050 177.584 -0.007 0.000 1.075 165 A CA -0.784 51.229 52.037 -0.040 0.000 0.680 165 A CB 0.657 19.638 19.000 -0.031 0.000 1.279 165 A HN 0.497 nan 8.150 nan 0.000 0.411 166 N N 0.348 119.054 118.700 0.012 0.000 2.301 166 N HA 0.321 5.064 4.740 0.005 0.000 0.267 166 N C 1.294 176.840 175.510 0.061 0.000 1.304 166 N CA 2.529 55.606 53.050 0.046 0.000 0.851 166 N CB 0.211 38.731 38.487 0.055 0.000 1.070 166 N HN 2.054 nan 8.380 nan 0.000 0.483 167 G N 1.980 110.828 108.800 0.080 0.000 2.199 167 G HA2 -0.314 3.649 3.960 0.005 0.000 0.254 167 G HA3 -0.314 3.649 3.960 0.005 0.000 0.254 167 G C 0.066 175.083 174.900 0.194 0.000 0.982 167 G CA 0.441 45.611 45.100 0.117 0.000 0.632 167 G HN 1.005 nan 8.290 nan 0.000 0.529 168 N N -1.126 117.658 118.700 0.139 0.000 2.483 168 N HA 0.537 5.280 4.740 0.005 0.000 0.285 168 N C 0.782 176.313 175.510 0.035 0.000 1.210 168 N CA -0.848 52.297 53.050 0.158 0.000 0.931 168 N CB 0.344 38.876 38.487 0.075 0.000 1.220 168 N HN 0.034 nan 8.380 nan 0.000 0.542 169 Y N 0.166 120.275 120.300 -0.319 0.000 2.224 169 Y HA 0.062 4.615 4.550 0.005 0.000 0.289 169 Y C 2.175 177.929 175.900 -0.244 0.000 1.146 169 Y CA 2.207 59.962 58.100 -0.577 0.000 1.182 169 Y CB -0.697 37.328 38.460 -0.725 0.000 0.983 169 Y HN 0.745 nan 8.280 nan 0.000 0.524 170 G N -0.421 108.265 108.800 -0.190 0.000 2.418 170 G HA2 -0.337 3.625 3.960 0.005 0.000 0.217 170 G HA3 -0.337 3.625 3.960 0.005 0.000 0.217 170 G C 1.764 176.553 174.900 -0.186 0.000 1.158 170 G CA 1.043 46.031 45.100 -0.188 0.000 0.771 170 G HN 0.320 nan 8.290 nan 0.000 0.545 171 R N 0.930 121.344 120.500 -0.143 0.000 2.075 171 R HA -0.084 4.259 4.340 0.005 0.000 0.232 171 R C 2.589 178.828 176.300 -0.102 0.000 1.126 171 R CA 0.613 56.650 56.100 -0.106 0.000 0.963 171 R CB -0.334 29.928 30.300 -0.063 0.000 0.858 171 R HN 0.135 nan 8.270 nan 0.000 0.435 172 Q N -0.916 118.802 119.800 -0.137 0.000 2.124 172 Q HA -0.119 4.224 4.340 0.005 0.000 0.202 172 Q C 1.495 177.423 176.000 -0.119 0.000 0.977 172 Q CA 0.945 56.687 55.803 -0.103 0.000 0.850 172 Q CB 0.017 28.724 28.738 -0.053 0.000 0.901 172 Q HN 0.269 nan 8.270 nan 0.000 0.429 173 T N 1.327 115.697 114.554 -0.307 0.000 2.720 173 T HA -0.061 4.292 4.350 0.005 0.000 0.268 173 T C 1.365 176.172 174.700 0.178 0.000 1.037 173 T CA 0.556 62.548 62.100 -0.179 0.000 1.144 173 T CB 0.002 68.714 68.868 -0.260 0.000 0.864 173 T HN 0.179 nan 8.240 nan 0.000 0.444 174 L N 0.366 121.684 121.223 0.158 0.000 2.017 174 L HA -0.096 4.247 4.340 0.005 0.000 0.208 174 L C 2.493 179.542 176.870 0.298 0.000 1.073 174 L CA 0.967 55.964 54.840 0.262 0.000 0.745 174 L CB -0.203 41.889 42.059 0.055 0.000 0.894 174 L HN -0.294 nan 8.230 nan 0.000 0.432 175 T N -0.295 114.386 114.554 0.212 0.000 2.746 175 T HA -0.130 4.223 4.350 0.005 0.000 0.267 175 T C 2.241 177.225 174.700 0.475 0.000 1.039 175 T CA 1.280 63.569 62.100 0.314 0.000 1.142 175 T CB -0.189 68.710 68.868 0.052 0.000 0.866 175 T HN 0.189 nan 8.240 nan 0.000 0.444 176 H N 1.531 120.729 119.070 0.215 0.000 2.293 176 H HA -0.053 4.506 4.556 0.006 0.000 0.300 176 H C 1.893 177.261 175.328 0.066 0.000 1.082 176 H CA 1.514 57.649 56.048 0.145 0.000 1.308 176 H CB 0.225 30.048 29.762 0.101 0.000 1.375 176 H HN 0.180 nan 8.280 nan 0.000 0.495 177 E N 0.528 120.951 120.200 0.371 0.000 2.077 177 E HA -0.136 4.217 4.350 0.005 0.000 0.193 177 E C 2.517 179.215 176.600 0.163 0.000 0.989 177 E CA 1.057 57.635 56.400 0.296 0.000 0.800 177 E CB -0.194 29.672 29.700 0.275 0.000 0.746 177 E HN 0.629 nan 8.360 nan 0.000 0.452 178 I N 1.107 121.791 120.570 0.189 0.000 2.286 178 I HA -0.184 3.989 4.170 0.005 0.000 0.248 178 I C 2.589 178.574 176.117 -0.220 0.000 1.115 178 I CA 0.362 61.682 61.300 0.033 0.000 1.392 178 I CB 0.094 38.169 38.000 0.124 0.000 1.065 178 I HN -0.061 nan 8.210 nan 0.000 0.418 179 G N 0.227 108.876 108.800 -0.252 0.000 2.440 179 G HA2 -0.264 3.699 3.960 0.005 0.000 0.218 179 G HA3 -0.264 3.699 3.960 0.005 0.000 0.218 179 G C 1.699 176.419 174.900 -0.301 0.000 1.154 179 G CA 0.922 45.698 45.100 -0.541 0.000 0.767 179 G HN 0.241 nan 8.290 nan 0.000 0.552 180 H N 0.448 119.423 119.070 -0.159 0.000 2.321 180 H HA -0.088 4.470 4.556 0.004 0.000 0.300 180 H C 2.688 177.979 175.328 -0.062 0.000 1.087 180 H CA 0.205 56.177 56.048 -0.126 0.000 1.319 180 H CB -0.179 29.522 29.762 -0.102 0.000 1.379 180 H HN 0.266 nan 8.280 nan 0.000 0.501 181 T N 0.303 114.919 114.554 0.104 0.000 2.929 181 T HA -0.047 4.306 4.350 0.005 0.000 0.271 181 T C 2.753 177.625 174.700 0.287 0.000 1.085 181 T CA 0.944 63.135 62.100 0.151 0.000 1.125 181 T CB -0.156 68.772 68.868 0.098 0.000 0.874 181 T HN 0.151 nan 8.240 nan 0.000 0.494 182 L N -0.263 121.040 121.223 0.133 0.000 2.509 182 L HA 0.264 4.606 4.340 0.005 0.000 0.222 182 L C 1.845 178.876 176.870 0.269 0.000 1.123 182 L CA 0.046 55.025 54.840 0.231 0.000 0.856 182 L CB -0.334 41.691 42.059 -0.058 0.000 0.985 182 L HN 0.355 nan 8.230 nan 0.000 0.456 183 G N -0.638 108.227 108.800 0.107 0.000 2.227 183 G HA2 -0.176 3.786 3.960 0.005 0.000 0.168 183 G HA3 -0.176 3.786 3.960 0.005 0.000 0.168 183 G C -0.231 174.665 174.900 -0.006 0.000 1.006 183 G CA -0.507 44.621 45.100 0.046 0.000 0.684 183 G HN -0.177 nan 8.290 nan 0.000 0.489 184 L N 1.344 122.550 121.223 -0.028 0.000 2.312 184 L HA 0.368 4.711 4.340 0.005 0.000 0.281 184 L C 0.217 177.096 176.870 0.014 0.000 1.070 184 L CA -0.289 54.527 54.840 -0.039 0.000 0.805 184 L CB 0.721 42.724 42.059 -0.093 0.000 1.174 184 L HN -0.393 nan 8.230 nan 0.000 0.434 185 S N 0.499 116.190 115.700 -0.014 0.000 2.745 185 S HA 0.338 4.811 4.470 0.005 0.000 0.292 185 S C -0.024 174.538 174.600 -0.063 0.000 1.133 185 S CA -0.694 57.471 58.200 -0.058 0.000 0.998 185 S CB 0.656 63.801 63.200 -0.092 0.000 1.087 185 S HN -0.019 nan 8.310 nan 0.000 0.551 186 H N 1.330 120.368 119.070 -0.053 0.000 2.679 186 H HA 0.101 4.660 4.556 0.005 0.000 0.369 186 H C -1.256 173.966 175.328 -0.176 0.000 1.178 186 H CA -1.397 54.533 56.048 -0.196 0.000 1.419 186 H CB 0.093 29.499 29.762 -0.594 0.000 1.458 186 H HN 0.097 nan 8.280 nan 0.000 0.605 187 P HA -0.034 nan 4.420 nan 0.000 0.225 187 P C 0.189 177.543 177.300 0.090 0.000 1.148 187 P CA 0.979 64.175 63.100 0.161 0.000 0.779 187 P CB 0.514 32.333 31.700 0.197 0.000 0.780 188 G N -1.374 107.330 108.800 -0.159 0.000 2.658 188 G HA2 0.271 4.234 3.960 0.005 0.000 0.292 188 G HA3 0.271 4.234 3.960 0.005 0.000 0.292 188 G C -1.392 173.269 174.900 -0.399 0.000 1.320 188 G CA -0.394 44.627 45.100 -0.131 0.000 0.933 188 G HN -0.284 nan 8.290 nan 0.000 0.476 189 D N 1.114 121.445 120.400 -0.115 0.000 2.508 189 D HA 0.336 4.979 4.640 0.005 0.000 0.224 189 D C -0.814 175.512 176.300 0.043 0.000 1.171 189 D CA 0.627 54.582 54.000 -0.075 0.000 1.006 189 D CB -0.036 40.770 40.800 0.011 0.000 1.073 189 D HN 0.362 nan 8.370 nan 0.000 0.513 190 Y N -0.897 119.468 120.300 0.108 0.000 2.609 190 Y HA 0.643 5.196 4.550 0.006 0.000 0.336 190 Y C -1.063 174.902 175.900 0.109 0.000 1.129 190 Y CA -1.561 56.606 58.100 0.111 0.000 1.040 190 Y CB 1.367 39.926 38.460 0.164 0.000 1.310 190 Y HN -0.090 nan 8.280 nan 0.000 0.460 191 N N 0.389 119.313 118.700 0.374 0.000 2.636 191 N HA 0.632 5.375 4.740 0.005 0.000 0.261 191 N C -1.565 174.196 175.510 0.418 0.000 1.195 191 N CA -0.077 53.204 53.050 0.385 0.000 0.902 191 N CB 2.239 40.878 38.487 0.253 0.000 1.627 191 N HN 1.180 nan 8.380 nan 0.000 0.491 192 A N 0.818 123.937 122.820 0.498 0.000 2.511 192 A HA 0.498 4.821 4.320 0.005 0.000 0.242 192 A C 1.465 179.166 177.584 0.195 0.000 1.069 192 A CA 1.118 53.342 52.037 0.312 0.000 0.763 192 A CB -0.837 18.285 19.000 0.204 0.000 1.001 192 A HN 1.650 nan 8.150 nan 0.000 0.498 193 G N 1.422 110.310 108.800 0.147 0.000 2.268 193 G HA2 -0.216 3.747 3.960 0.005 0.000 0.240 193 G HA3 -0.216 3.747 3.960 0.005 0.000 0.240 193 G C 0.085 175.043 174.900 0.096 0.000 1.010 193 G CA 0.467 45.626 45.100 0.099 0.000 0.618 193 G HN 0.847 nan 8.290 nan 0.000 0.516 194 E N 1.236 121.512 120.200 0.127 0.000 1.993 194 E HA 0.487 4.840 4.350 0.005 0.000 0.271 194 E C 1.031 177.706 176.600 0.125 0.000 1.008 194 E CA 0.294 56.761 56.400 0.112 0.000 0.814 194 E CB 0.678 30.449 29.700 0.118 0.000 1.098 194 E HN 1.332 nan 8.360 nan 0.000 0.407 195 G N 3.959 112.816 108.800 0.095 0.000 2.569 195 G HA2 -0.330 3.633 3.960 0.005 0.000 0.259 195 G HA3 -0.330 3.633 3.960 0.005 0.000 0.259 195 G C -0.410 174.552 174.900 0.104 0.000 1.263 195 G CA 0.021 45.175 45.100 0.090 0.000 0.928 195 G HN 0.624 nan 8.290 nan 0.000 0.572 196 D N 1.346 121.808 120.400 0.102 0.000 2.443 196 D HA 0.521 5.164 4.640 0.005 0.000 0.281 196 D C -1.663 174.711 176.300 0.122 0.000 1.210 196 D CA -0.790 53.275 54.000 0.108 0.000 0.875 196 D CB 0.746 41.588 40.800 0.071 0.000 1.125 196 D HN 0.449 nan 8.370 nan 0.000 0.503 197 P HA 0.212 nan 4.420 nan 0.000 0.271 197 P C -0.334 177.055 177.300 0.149 0.000 1.218 197 P CA -0.208 63.018 63.100 0.210 0.000 0.780 197 P CB 1.525 33.453 31.700 0.380 0.000 0.901 198 T N -0.812 113.608 114.554 -0.224 0.000 2.804 198 T HA 0.107 4.460 4.350 0.005 0.000 0.290 198 T C 0.434 174.271 174.700 -1.438 0.000 1.099 198 T CA -0.654 61.050 62.100 -0.660 0.000 1.011 198 T CB 0.790 69.474 68.868 -0.307 0.000 1.291 198 T HN 0.006 nan 8.240 nan 0.000 0.523 199 Y N 0.907 120.188 120.300 -1.697 0.000 2.384 199 Y HA -0.157 4.396 4.550 0.005 0.000 0.289 199 Y C 1.685 177.228 175.900 -0.595 0.000 1.152 199 Y CA 0.106 57.269 58.100 -1.561 0.000 1.258 199 Y CB 0.187 38.145 38.460 -0.837 0.000 0.979 199 Y HN -0.077 nan 8.280 nan 0.000 0.549 200 A N 0.955 123.518 122.820 -0.428 0.000 2.125 200 A HA -0.096 4.227 4.320 0.005 0.000 0.219 200 A C 1.493 178.991 177.584 -0.144 0.000 1.156 200 A CA 0.477 52.363 52.037 -0.251 0.000 0.671 200 A CB -0.557 18.332 19.000 -0.184 0.000 0.794 200 A HN 0.170 nan 8.150 nan 0.000 0.459 201 D N -0.015 120.239 120.400 -0.244 0.000 2.339 201 D HA 0.279 4.922 4.640 0.005 0.000 0.217 201 D C 0.891 177.177 176.300 -0.023 0.000 1.050 201 D CA 0.667 54.623 54.000 -0.073 0.000 0.856 201 D CB -0.042 40.761 40.800 0.005 0.000 0.922 201 D HN 0.439 nan 8.370 nan 0.000 0.518 202 A N 0.361 123.010 122.820 -0.285 0.000 2.425 202 A HA 0.202 4.525 4.320 0.005 0.000 0.242 202 A C 1.494 178.824 177.584 -0.424 0.000 1.077 202 A CA 0.084 51.930 52.037 -0.319 0.000 0.781 202 A CB 0.586 19.131 19.000 -0.759 0.000 1.020 202 A HN 0.004 nan 8.150 nan 0.000 0.494 203 T N 0.095 114.499 114.554 -0.250 0.000 2.937 203 T HA 0.148 4.501 4.350 0.005 0.000 0.260 203 T C 0.122 174.658 174.700 -0.273 0.000 1.051 203 T CA 2.017 64.033 62.100 -0.141 0.000 1.141 203 T CB -0.344 68.558 68.868 0.057 0.000 0.879 203 T HN 0.725 nan 8.240 nan 0.000 0.459 204 Y N -2.077 117.919 120.300 -0.507 0.000 2.576 204 Y HA 0.814 5.367 4.550 0.006 0.000 0.346 204 Y C 0.968 176.649 175.900 -0.364 0.000 1.018 204 Y CA -1.655 56.108 58.100 -0.561 0.000 1.050 204 Y CB 0.829 38.716 38.460 -0.955 0.000 1.280 204 Y HN -0.121 nan 8.280 nan 0.000 0.474 205 A N 1.624 124.411 122.820 -0.056 0.000 1.940 205 A HA -0.201 4.122 4.320 0.005 0.000 0.219 205 A C 0.893 178.599 177.584 0.203 0.000 1.176 205 A CA 0.965 53.083 52.037 0.135 0.000 0.631 205 A CB -0.352 18.788 19.000 0.234 0.000 0.814 205 A HN 0.340 nan 8.150 nan 0.000 0.446 206 E N 0.406 120.712 120.200 0.178 0.000 2.463 206 E HA 0.007 4.359 4.350 0.005 0.000 0.191 206 E C 0.018 176.715 176.600 0.161 0.000 1.083 206 E CA -0.263 56.255 56.400 0.197 0.000 0.872 206 E CB 0.129 29.825 29.700 -0.007 0.000 0.966 206 E HN 0.160 nan 8.360 nan 0.000 0.491 207 D N 1.559 121.846 120.400 -0.189 0.000 2.551 207 D HA 0.006 4.648 4.640 0.005 0.000 0.223 207 D C -0.569 175.944 176.300 0.355 0.000 1.144 207 D CA 0.003 53.947 54.000 -0.094 0.000 1.025 207 D CB -0.340 40.274 40.800 -0.310 0.000 1.085 207 D HN 0.092 nan 8.370 nan 0.000 0.506 208 T N -1.240 113.519 114.554 0.343 0.000 2.841 208 T HA 0.415 4.768 4.350 0.005 0.000 0.296 208 T C 0.942 175.774 174.700 0.220 0.000 1.166 208 T CA -0.966 61.304 62.100 0.282 0.000 1.007 208 T CB 1.197 70.163 68.868 0.163 0.000 1.253 208 T HN 0.103 nan 8.240 nan 0.000 0.511 209 R N 0.079 120.662 120.500 0.138 0.000 2.346 209 R HA 0.226 4.569 4.340 0.005 0.000 0.199 209 R C 1.944 178.326 176.300 0.137 0.000 1.015 209 R CA 0.647 56.840 56.100 0.154 0.000 1.058 209 R CB -0.439 29.960 30.300 0.166 0.000 0.921 209 R HN 0.735 nan 8.270 nan 0.000 0.475 210 A N -0.570 122.238 122.820 -0.021 0.000 2.081 210 A HA -0.018 4.305 4.320 0.005 0.000 0.214 210 A C 0.934 178.342 177.584 -0.293 0.000 1.158 210 A CA 0.676 52.626 52.037 -0.145 0.000 0.724 210 A CB 0.121 18.819 19.000 -0.503 0.000 0.826 210 A HN 0.278 nan 8.150 nan 0.000 0.463 211 Y N -1.189 119.211 120.300 0.167 0.000 2.467 211 Y HA 0.458 5.011 4.550 0.005 0.000 0.259 211 Y C 0.764 176.770 175.900 0.176 0.000 1.084 211 Y CA -0.300 57.901 58.100 0.169 0.000 1.275 211 Y CB 0.576 39.152 38.460 0.194 0.000 1.208 211 Y HN 0.287 nan 8.280 nan 0.000 0.511 212 S N 0.045 115.932 115.700 0.312 0.000 2.566 212 S HA 0.333 4.806 4.470 0.005 0.000 0.273 212 S C 0.368 175.111 174.600 0.239 0.000 1.157 212 S CA -0.563 57.795 58.200 0.263 0.000 0.938 212 S CB 1.018 64.390 63.200 0.286 0.000 1.087 212 S HN -0.061 nan 8.310 nan 0.000 0.474 213 V N 3.617 123.659 119.914 0.213 0.000 3.380 213 V HA 0.010 4.133 4.120 0.005 0.000 0.268 213 V C 1.232 177.544 176.094 0.364 0.000 1.168 213 V CA 0.508 62.958 62.300 0.251 0.000 1.156 213 V CB -0.417 31.511 31.823 0.175 0.000 0.785 213 V HN 0.773 nan 8.190 nan 0.000 0.487 214 M N 0.748 120.500 119.600 0.253 0.000 2.558 214 M HA 0.339 4.822 4.480 0.005 0.000 0.255 214 M C 1.141 177.640 176.300 0.332 0.000 1.113 214 M CA 0.462 55.852 55.300 0.149 0.000 1.097 214 M CB -0.923 31.694 32.600 0.028 0.000 1.426 214 M HN 0.604 nan 8.290 nan 0.000 0.488 215 S N -0.395 115.473 115.700 0.280 0.000 2.617 215 S HA 0.104 4.577 4.470 0.005 0.000 0.269 215 S C 0.145 174.807 174.600 0.103 0.000 1.292 215 S CA -0.551 57.740 58.200 0.153 0.000 1.010 215 S CB 0.989 64.285 63.200 0.161 0.000 0.944 215 S HN -0.014 nan 8.310 nan 0.000 0.536 216 Y N 2.010 121.907 120.300 -0.671 0.000 2.478 216 Y HA 0.187 4.740 4.550 0.005 0.000 0.261 216 Y C -0.606 174.865 175.900 -0.715 0.000 1.127 216 Y CA -0.875 56.676 58.100 -0.915 0.000 1.288 216 Y CB -0.064 37.311 38.460 -1.808 0.000 1.084 216 Y HN 0.498 nan 8.280 nan 0.000 0.530 217 W N 2.290 123.702 121.300 0.188 0.000 2.376 217 W HA 0.218 4.880 4.660 0.005 0.000 0.322 217 W C 0.198 176.709 176.519 -0.013 0.000 1.160 217 W CA -1.320 56.062 57.345 0.063 0.000 1.218 217 W CB 0.416 29.927 29.460 0.086 0.000 1.205 217 W HN -0.517 nan 8.180 nan 0.000 0.559 218 E N 3.881 124.172 120.200 0.151 0.000 2.442 218 E HA -0.164 4.189 4.350 0.005 0.000 0.262 218 E C 1.036 177.551 176.600 -0.141 0.000 1.004 218 E CA -0.112 56.269 56.400 -0.033 0.000 0.928 218 E CB 0.788 30.444 29.700 -0.073 0.000 0.937 218 E HN -0.065 nan 8.360 nan 0.000 0.446 219 E N 4.797 124.831 120.200 -0.278 0.000 2.204 219 E HA -0.329 4.024 4.350 0.005 0.000 0.195 219 E C 2.212 178.610 176.600 -0.337 0.000 0.990 219 E CA 1.053 57.205 56.400 -0.414 0.000 0.821 219 E CB -0.063 29.065 29.700 -0.953 0.000 0.750 219 E HN 0.574 nan 8.360 nan 0.000 0.477 220 Q N 1.206 120.833 119.800 -0.289 0.000 2.297 220 Q HA -0.149 4.194 4.340 0.005 0.000 0.208 220 Q C 1.973 177.868 176.000 -0.176 0.000 0.981 220 Q CA 0.605 56.285 55.803 -0.206 0.000 0.876 220 Q CB -0.258 28.379 28.738 -0.169 0.000 0.921 220 Q HN 0.356 nan 8.270 nan 0.000 0.446 221 N N -0.436 118.116 118.700 -0.246 0.000 2.223 221 N HA -0.099 4.644 4.740 0.005 0.000 0.185 221 N C 0.958 176.374 175.510 -0.157 0.000 1.016 221 N CA 1.769 54.614 53.050 -0.342 0.000 0.863 221 N CB -0.021 37.961 38.487 -0.840 0.000 0.983 221 N HN 0.435 nan 8.380 nan 0.000 0.429 222 T N -3.640 110.875 114.554 -0.065 0.000 3.176 222 T HA 0.460 4.813 4.350 0.005 0.000 0.263 222 T C 1.149 175.927 174.700 0.130 0.000 1.021 222 T CA 0.237 62.395 62.100 0.097 0.000 0.905 222 T CB 0.705 69.724 68.868 0.251 0.000 1.057 222 T HN 0.237 nan 8.240 nan 0.000 0.558 223 G N 0.877 109.707 108.800 0.050 0.000 2.195 223 G HA2 -0.238 3.725 3.960 0.005 0.000 0.246 223 G HA3 -0.238 3.725 3.960 0.005 0.000 0.246 223 G C -0.070 174.897 174.900 0.112 0.000 0.984 223 G CA -0.170 44.995 45.100 0.108 0.000 0.633 223 G HN 0.613 nan 8.290 nan 0.000 0.525 224 Q N 0.117 119.887 119.800 -0.050 0.000 2.237 224 Q HA 0.673 5.016 4.340 0.005 0.000 0.219 224 Q C -0.461 175.371 176.000 -0.281 0.000 0.999 224 Q CA -0.107 55.593 55.803 -0.170 0.000 0.959 224 Q CB 1.257 29.765 28.738 -0.383 0.000 1.173 224 Q HN 0.211 nan 8.270 nan 0.000 0.527 225 D N -0.452 119.794 120.400 -0.256 0.000 2.591 225 D HA 0.201 4.844 4.640 0.005 0.000 0.222 225 D C -1.262 175.046 176.300 0.013 0.000 1.360 225 D CA -0.327 53.544 54.000 -0.215 0.000 0.967 225 D CB 0.394 41.140 40.800 -0.091 0.000 1.456 225 D HN 0.330 nan 8.370 nan 0.000 0.588 226 F N 2.419 122.276 119.950 -0.156 0.000 2.641 226 F HA 0.255 4.785 4.527 0.005 0.000 0.302 226 F C 1.106 176.811 175.800 -0.157 0.000 1.098 226 F CA -0.545 57.354 58.000 -0.170 0.000 1.318 226 F CB -0.204 38.680 39.000 -0.194 0.000 1.035 226 F HN 0.292 nan 8.300 nan 0.000 0.551 227 K N 0.622 121.029 120.400 0.012 0.000 3.156 227 K HA -0.240 4.083 4.320 0.005 0.000 0.266 227 K C 1.341 177.917 176.600 -0.039 0.000 0.966 227 K CA 0.763 57.034 56.287 -0.027 0.000 0.719 227 K CB -2.043 30.444 32.500 -0.021 0.000 1.333 227 K HN 0.672 nan 8.250 nan 0.000 0.468 228 G N -1.960 106.786 108.800 -0.090 0.000 2.225 228 G HA2 -0.297 3.666 3.960 0.005 0.000 0.254 228 G HA3 -0.297 3.666 3.960 0.005 0.000 0.254 228 G C 0.356 175.168 174.900 -0.147 0.000 0.988 228 G CA 0.651 45.684 45.100 -0.112 0.000 0.625 228 G HN 1.056 nan 8.290 nan 0.000 0.527 229 A N -0.541 122.225 122.820 -0.091 0.000 2.304 229 A HA 0.779 5.102 4.320 0.005 0.000 0.271 229 A C -0.490 177.002 177.584 -0.154 0.000 1.091 229 A CA -0.094 51.926 52.037 -0.029 0.000 0.812 229 A CB 0.555 19.557 19.000 0.003 0.000 1.056 229 A HN 0.793 nan 8.150 nan 0.000 0.489 230 Y N 0.166 120.541 120.300 0.125 0.000 2.425 230 Y HA 0.463 5.016 4.550 0.005 0.000 0.344 230 Y C 0.430 176.368 175.900 0.065 0.000 0.969 230 Y CA -0.645 57.549 58.100 0.156 0.000 1.052 230 Y CB 1.956 40.528 38.460 0.187 0.000 1.215 230 Y HN 0.782 nan 8.280 nan 0.000 0.451 231 S N 1.823 117.634 115.700 0.185 0.000 2.525 231 S HA 0.036 4.509 4.470 0.005 0.000 0.285 231 S C 0.824 175.418 174.600 -0.010 0.000 1.283 231 S CA 0.180 58.393 58.200 0.021 0.000 1.072 231 S CB 0.693 63.888 63.200 -0.008 0.000 0.867 231 S HN 0.123 nan 8.310 nan 0.000 0.492 232 S N 5.684 121.320 115.700 -0.107 0.000 2.470 232 S HA 0.056 4.529 4.470 0.005 0.000 0.225 232 S C 0.553 174.901 174.600 -0.420 0.000 1.006 232 S CA 0.056 58.146 58.200 -0.182 0.000 0.934 232 S CB 0.086 63.214 63.200 -0.121 0.000 0.778 232 S HN 0.248 nan 8.310 nan 0.000 0.517 233 A N 1.710 124.143 122.820 -0.645 0.000 2.387 233 A HA 0.602 4.924 4.320 0.005 0.000 0.303 233 A C -2.857 174.364 177.584 -0.604 0.000 1.145 233 A CA -2.063 49.446 52.037 -0.881 0.000 0.801 233 A CB -0.012 17.948 19.000 -1.733 0.000 1.342 233 A HN -0.355 nan 8.150 nan 0.000 0.440 234 P HA 0.216 nan 4.420 nan 0.000 0.264 234 P C -0.588 176.583 177.300 -0.215 0.000 1.183 234 P CA 0.502 63.271 63.100 -0.552 0.000 0.763 234 P CB 0.271 31.488 31.700 -0.805 0.000 0.807 235 L N 2.745 123.935 121.223 -0.056 0.000 2.544 235 L HA 0.257 4.600 4.340 0.005 0.000 0.256 235 L C 1.942 178.885 176.870 0.122 0.000 1.097 235 L CA -0.855 54.015 54.840 0.051 0.000 0.812 235 L CB -0.065 42.049 42.059 0.091 0.000 1.440 235 L HN 0.254 nan 8.230 nan 0.000 0.496 236 L N 0.668 121.998 121.223 0.178 0.000 1.978 236 L HA -0.280 4.063 4.340 0.005 0.000 0.218 236 L C 1.822 178.814 176.870 0.205 0.000 1.075 236 L CA 2.155 57.123 54.840 0.214 0.000 0.767 236 L CB -0.585 41.639 42.059 0.275 0.000 0.890 236 L HN 0.622 nan 8.230 nan 0.000 0.434 237 D N -0.824 119.720 120.400 0.241 0.000 2.224 237 D HA -0.124 4.518 4.640 0.005 0.000 0.205 237 D C 1.817 178.230 176.300 0.188 0.000 0.965 237 D CA 1.029 55.153 54.000 0.207 0.000 0.852 237 D CB -0.260 40.692 40.800 0.252 0.000 0.947 237 D HN 0.456 nan 8.370 nan 0.000 0.494 238 D N 0.386 120.906 120.400 0.201 0.000 2.117 238 D HA -0.065 4.577 4.640 0.005 0.000 0.198 238 D C 2.299 178.735 176.300 0.226 0.000 0.982 238 D CA 0.441 54.586 54.000 0.240 0.000 0.828 238 D CB -0.061 40.874 40.800 0.225 0.000 0.967 238 D HN 0.269 nan 8.370 nan 0.000 0.464 239 I N 1.472 122.127 120.570 0.141 0.000 2.179 239 I HA -0.252 3.921 4.170 0.005 0.000 0.242 239 I C 2.590 178.739 176.117 0.054 0.000 1.088 239 I CA 1.030 62.378 61.300 0.080 0.000 1.357 239 I CB -0.253 37.788 38.000 0.068 0.000 1.051 239 I HN -0.088 nan 8.210 nan 0.000 0.409 240 A N 0.776 123.645 122.820 0.082 0.000 1.908 240 A HA -0.199 4.124 4.320 0.005 0.000 0.218 240 A C 2.533 180.143 177.584 0.043 0.000 1.181 240 A CA 2.064 54.136 52.037 0.059 0.000 0.627 240 A CB -0.874 18.171 19.000 0.074 0.000 0.818 240 A HN 0.447 nan 8.150 nan 0.000 0.445 241 A N -0.541 122.323 122.820 0.073 0.000 1.855 241 A HA -0.051 4.272 4.320 0.005 0.000 0.215 241 A C 2.108 179.711 177.584 0.031 0.000 1.191 241 A CA 1.665 53.733 52.037 0.052 0.000 0.613 241 A CB -0.607 18.442 19.000 0.082 0.000 0.829 241 A HN 0.545 nan 8.150 nan 0.000 0.442 242 I N 0.004 120.634 120.570 0.100 0.000 2.361 242 I HA -0.242 3.931 4.170 0.005 0.000 0.251 242 I C 2.427 178.576 176.117 0.053 0.000 1.133 242 I CA 1.578 62.945 61.300 0.112 0.000 1.413 242 I CB -0.276 37.897 38.000 0.289 0.000 1.073 242 I HN 0.420 nan 8.210 nan 0.000 0.424 243 Q N -0.339 119.465 119.800 0.006 0.000 2.230 243 Q HA -0.217 4.126 4.340 0.005 0.000 0.202 243 Q C 2.181 178.156 176.000 -0.042 0.000 0.963 243 Q CA 1.123 56.900 55.803 -0.044 0.000 0.866 243 Q CB -0.144 28.518 28.738 -0.128 0.000 0.931 243 Q HN 0.447 nan 8.270 nan 0.000 0.452 244 K N 0.335 120.706 120.400 -0.048 0.000 2.148 244 K HA -0.144 4.179 4.320 0.005 0.000 0.204 244 K C 1.827 178.355 176.600 -0.120 0.000 1.050 244 K CA 0.562 56.812 56.287 -0.061 0.000 0.942 244 K CB 0.139 32.609 32.500 -0.050 0.000 0.724 244 K HN 0.064 nan 8.250 nan 0.000 0.446 245 L N -0.195 120.907 121.223 -0.202 0.000 2.049 245 L HA -0.092 4.251 4.340 0.005 0.000 0.203 245 L C 1.362 177.901 176.870 -0.553 0.000 1.074 245 L CA 1.659 56.226 54.840 -0.455 0.000 0.749 245 L CB 0.100 41.758 42.059 -0.668 0.000 0.907 245 L HN -0.282 nan 8.230 nan 0.000 0.439 246 Y N -1.510 118.785 120.300 -0.007 0.000 2.500 246 Y HA 0.168 4.720 4.550 0.003 0.000 0.246 246 Y C 0.328 176.217 175.900 -0.018 0.000 1.146 246 Y CA -0.958 57.135 58.100 -0.012 0.000 1.230 246 Y CB 0.388 38.834 38.460 -0.023 0.000 1.214 246 Y HN -0.179 nan 8.280 nan 0.000 0.526 247 G N 1.279 110.120 108.800 0.069 0.000 2.663 247 G HA2 -0.161 3.802 3.960 0.005 0.000 0.686 247 G HA3 -0.161 3.802 3.960 0.005 0.000 0.686 247 G C -0.567 174.335 174.900 0.002 0.000 1.246 247 G CA -1.118 44.006 45.100 0.040 0.000 0.795 247 G HN -0.391 nan 8.290 nan 0.000 0.627 248 A N 0.728 123.543 122.820 -0.009 0.000 2.331 248 A HA 0.659 4.982 4.320 0.005 0.000 0.283 248 A C 0.602 178.219 177.584 0.055 0.000 1.142 248 A CA -0.077 51.912 52.037 -0.080 0.000 0.812 248 A CB 0.737 19.746 19.000 0.016 0.000 1.074 248 A HN 1.249 nan 8.150 nan 0.000 0.497 249 N N 3.532 122.257 118.700 0.041 0.000 2.415 249 N HA 0.116 4.859 4.740 0.005 0.000 0.250 249 N C 0.740 176.515 175.510 0.441 0.000 1.127 249 N CA -0.130 53.044 53.050 0.208 0.000 0.945 249 N CB 0.279 38.877 38.487 0.185 0.000 1.196 249 N HN 0.366 nan 8.380 nan 0.000 0.499 250 L N 2.215 123.617 121.223 0.298 0.000 2.627 250 L HA 0.091 4.433 4.340 0.005 0.000 0.232 250 L C 1.214 178.186 176.870 0.170 0.000 1.150 250 L CA 0.456 55.454 54.840 0.263 0.000 0.917 250 L CB -0.358 41.811 42.059 0.183 0.000 1.104 250 L HN 0.289 nan 8.230 nan 0.000 0.445 251 T N -6.358 108.298 114.554 0.171 0.000 3.010 251 T HA 0.064 4.417 4.350 0.005 0.000 0.257 251 T C 0.862 175.630 174.700 0.113 0.000 1.020 251 T CA -0.182 61.982 62.100 0.108 0.000 0.938 251 T CB -0.057 68.856 68.868 0.075 0.000 1.049 251 T HN -0.026 nan 8.240 nan 0.000 0.522 252 T N 3.839 118.508 114.554 0.192 0.000 2.817 252 T HA 0.307 4.660 4.350 0.005 0.000 0.295 252 T C 0.271 175.017 174.700 0.077 0.000 0.958 252 T CA -0.248 61.965 62.100 0.188 0.000 1.157 252 T CB 0.122 69.217 68.868 0.378 0.000 0.898 252 T HN 0.421 nan 8.240 nan 0.000 0.536 253 R N 0.714 121.241 120.500 0.045 0.000 3.322 253 R HA -0.189 4.154 4.340 0.005 0.000 0.253 253 R C 1.562 177.835 176.300 -0.045 0.000 0.987 253 R CA -0.137 55.952 56.100 -0.018 0.000 0.666 253 R CB -0.848 29.436 30.300 -0.025 0.000 1.072 253 R HN 0.558 nan 8.270 nan 0.000 0.447 254 T N -3.228 111.309 114.554 -0.027 0.000 3.072 254 T HA 0.009 4.362 4.350 0.005 0.000 0.266 254 T C 1.299 175.975 174.700 -0.040 0.000 1.127 254 T CA -0.191 61.889 62.100 -0.034 0.000 1.107 254 T CB 0.196 69.057 68.868 -0.011 0.000 0.910 254 T HN 0.181 nan 8.240 nan 0.000 0.513 255 G N 0.885 109.657 108.800 -0.047 0.000 2.535 255 G HA2 0.021 3.984 3.960 0.005 0.000 0.282 255 G HA3 0.021 3.984 3.960 0.005 0.000 0.282 255 G C -0.823 174.038 174.900 -0.065 0.000 1.350 255 G CA -0.724 44.345 45.100 -0.052 0.000 1.039 255 G HN -0.198 nan 8.290 nan 0.000 0.509 256 D N 0.438 120.798 120.400 -0.066 0.000 2.343 256 D HA 0.208 4.851 4.640 0.005 0.000 0.255 256 D C 0.419 176.651 176.300 -0.114 0.000 1.187 256 D CA 0.520 54.477 54.000 -0.071 0.000 0.875 256 D CB 0.654 41.419 40.800 -0.058 0.000 1.136 256 D HN -0.187 nan 8.370 nan 0.000 0.469 257 T N 2.656 117.128 114.554 -0.137 0.000 2.856 257 T HA 0.256 4.609 4.350 0.005 0.000 0.283 257 T C 0.007 174.517 174.700 -0.318 0.000 1.008 257 T CA -0.671 61.264 62.100 -0.276 0.000 0.997 257 T CB 0.975 69.624 68.868 -0.364 0.000 0.992 257 T HN -0.341 nan 8.240 nan 0.000 0.454 258 V N 3.894 123.554 119.914 -0.422 0.000 2.417 258 V HA 0.304 4.427 4.120 0.005 0.000 0.291 258 V C -0.219 175.548 176.094 -0.544 0.000 1.024 258 V CA -1.327 60.773 62.300 -0.333 0.000 0.861 258 V CB 0.491 32.191 31.823 -0.205 0.000 0.985 258 V HN -0.068 nan 8.190 nan 0.000 0.436 259 Y N 2.523 122.687 120.300 -0.225 0.000 2.409 259 Y HA 0.497 5.050 4.550 0.005 0.000 0.339 259 Y C 1.150 176.991 175.900 -0.098 0.000 1.033 259 Y CA -0.715 57.233 58.100 -0.253 0.000 1.094 259 Y CB 1.208 39.479 38.460 -0.316 0.000 1.210 259 Y HN 0.260 nan 8.280 nan 0.000 0.456 260 G N 2.542 111.431 108.800 0.148 0.000 2.709 260 G HA2 -0.228 3.734 3.960 0.005 0.000 0.228 260 G HA3 -0.228 3.734 3.960 0.005 0.000 0.228 260 G C -1.326 173.533 174.900 -0.067 0.000 1.215 260 G CA -0.817 44.420 45.100 0.229 0.000 1.003 260 G HN 0.073 nan 8.290 nan 0.000 0.584 261 F N 2.417 122.389 119.950 0.036 0.000 2.450 261 F HA 0.176 4.706 4.527 0.005 0.000 0.339 261 F C 0.842 176.595 175.800 -0.078 0.000 1.146 261 F CA -0.646 57.323 58.000 -0.051 0.000 1.267 261 F CB 0.466 39.405 39.000 -0.103 0.000 1.178 261 F HN -0.210 nan 8.300 nan 0.000 0.585 262 N N 1.222 119.975 118.700 0.089 0.000 2.725 262 N HA -0.259 4.484 4.740 0.005 0.000 0.249 262 N C -0.201 175.267 175.510 -0.070 0.000 1.103 262 N CA 0.458 53.509 53.050 0.002 0.000 0.707 262 N CB -1.161 37.327 38.487 0.001 0.000 1.043 262 N HN 0.733 nan 8.380 nan 0.000 0.553 263 S N 0.754 116.393 115.700 -0.102 0.000 2.562 263 S HA 0.100 4.573 4.470 0.005 0.000 0.281 263 S C 1.109 175.598 174.600 -0.186 0.000 1.333 263 S CA -0.434 57.656 58.200 -0.183 0.000 1.052 263 S CB 0.383 63.462 63.200 -0.202 0.000 0.884 263 S HN 0.280 nan 8.310 nan 0.000 0.506 264 N N 3.048 121.602 118.700 -0.243 0.000 2.282 264 N HA -0.010 4.733 4.740 0.005 0.000 0.240 264 N C 0.571 175.941 175.510 -0.233 0.000 1.182 264 N CA -0.240 52.690 53.050 -0.200 0.000 0.874 264 N CB 0.082 38.465 38.487 -0.173 0.000 1.126 264 N HN 0.489 nan 8.380 nan 0.000 0.516 265 T N -2.491 111.889 114.554 -0.290 0.000 3.043 265 T HA 0.050 4.403 4.350 0.005 0.000 0.263 265 T C 0.422 175.027 174.700 -0.159 0.000 1.094 265 T CA 0.313 62.252 62.100 -0.269 0.000 1.127 265 T CB -0.388 68.288 68.868 -0.321 0.000 0.905 265 T HN 0.320 nan 8.240 nan 0.000 0.490 266 E N 0.619 120.729 120.200 -0.151 0.000 2.586 266 E HA -0.149 4.203 4.350 0.005 0.000 0.259 266 E C -0.823 175.692 176.600 -0.141 0.000 1.107 266 E CA 0.088 56.418 56.400 -0.116 0.000 0.754 266 E CB -0.592 29.061 29.700 -0.077 0.000 1.335 266 E HN 0.416 nan 8.360 nan 0.000 0.411 267 R N 0.966 121.330 120.500 -0.226 0.000 2.476 267 R HA 0.116 4.459 4.340 0.005 0.000 0.305 267 R C 0.771 176.795 176.300 -0.459 0.000 0.965 267 R CA -0.593 55.248 56.100 -0.431 0.000 0.867 267 R CB 0.877 30.723 30.300 -0.757 0.000 1.176 267 R HN 0.064 nan 8.270 nan 0.000 0.447 268 D N 3.481 123.694 120.400 -0.312 0.000 2.133 268 D HA -0.235 4.408 4.640 0.005 0.000 0.195 268 D C 1.111 177.319 176.300 -0.152 0.000 0.997 268 D CA 1.611 55.514 54.000 -0.163 0.000 0.840 268 D CB -0.074 40.702 40.800 -0.040 0.000 0.947 268 D HN 0.290 nan 8.370 nan 0.000 0.452 269 F N -1.438 118.447 119.950 -0.109 0.000 2.604 269 F HA 0.113 4.643 4.527 0.004 0.000 0.298 269 F C 1.304 177.053 175.800 -0.084 0.000 1.131 269 F CA -0.013 57.919 58.000 -0.114 0.000 1.457 269 F CB -0.737 38.144 39.000 -0.199 0.000 1.095 269 F HN -0.174 nan 8.300 nan 0.000 0.574 270 Y N 0.796 120.820 120.300 -0.461 0.000 2.458 270 Y HA 0.393 4.946 4.550 0.004 0.000 0.256 270 Y C 0.513 176.245 175.900 -0.279 0.000 1.159 270 Y CA -1.343 56.435 58.100 -0.536 0.000 1.261 270 Y CB -0.191 37.928 38.460 -0.569 0.000 1.119 270 Y HN 0.032 nan 8.280 nan 0.000 0.524 271 S N 1.246 116.919 115.700 -0.044 0.000 2.454 271 S HA 0.309 4.781 4.470 0.005 0.000 0.306 271 S C 0.073 174.622 174.600 -0.085 0.000 1.100 271 S CA -0.411 57.744 58.200 -0.075 0.000 1.087 271 S CB 1.304 64.435 63.200 -0.115 0.000 1.019 271 S HN -0.297 nan 8.310 nan 0.000 0.480 272 A N 2.952 125.619 122.820 -0.254 0.000 2.292 272 A HA 0.266 4.589 4.320 0.005 0.000 0.319 272 A C 0.871 178.182 177.584 -0.455 0.000 1.206 272 A CA -0.312 51.426 52.037 -0.498 0.000 0.835 272 A CB 0.702 18.947 19.000 -1.259 0.000 1.164 272 A HN 0.195 nan 8.150 nan 0.000 0.505 273 T N -0.821 113.611 114.554 -0.203 0.000 2.990 273 T HA 0.287 4.640 4.350 0.005 0.000 0.250 273 T C 0.723 175.468 174.700 0.075 0.000 1.041 273 T CA 0.631 62.703 62.100 -0.046 0.000 1.010 273 T CB -0.120 68.737 68.868 -0.018 0.000 1.003 273 T HN 0.877 nan 8.240 nan 0.000 0.499 274 S N 1.111 116.881 115.700 0.117 0.000 2.643 274 S HA 0.411 4.883 4.470 0.005 0.000 0.270 274 S C -0.050 174.739 174.600 0.316 0.000 1.166 274 S CA -0.612 57.719 58.200 0.219 0.000 0.815 274 S CB 1.660 64.937 63.200 0.129 0.000 1.139 274 S HN 0.075 nan 8.310 nan 0.000 0.472 275 S N 1.152 117.007 115.700 0.258 0.000 2.507 275 S HA 0.067 4.540 4.470 0.005 0.000 0.235 275 S C 0.640 175.505 174.600 0.443 0.000 0.988 275 S CA 0.998 59.393 58.200 0.324 0.000 0.944 275 S CB -0.057 63.250 63.200 0.177 0.000 0.762 275 S HN 0.470 nan 8.310 nan 0.000 0.526 276 S N 0.942 116.821 115.700 0.297 0.000 2.535 276 S HA 0.196 4.669 4.470 0.005 0.000 0.214 276 S C -0.125 174.608 174.600 0.222 0.000 0.980 276 S CA -0.231 58.101 58.200 0.221 0.000 0.907 276 S CB 0.214 63.491 63.200 0.129 0.000 0.790 276 S HN 0.084 nan 8.310 nan 0.000 0.510 277 S N 3.262 119.140 115.700 0.297 0.000 2.546 277 S HA 0.035 4.508 4.470 0.005 0.000 0.290 277 S C -0.058 174.663 174.600 0.200 0.000 1.290 277 S CA 0.996 59.327 58.200 0.218 0.000 1.069 277 S CB 0.690 63.985 63.200 0.157 0.000 0.846 277 S HN -0.007 nan 8.310 nan 0.000 0.495 278 K N 4.536 124.987 120.400 0.084 0.000 2.292 278 K HA 0.366 4.689 4.320 0.005 0.000 0.270 278 K C -0.669 175.925 176.600 -0.010 0.000 1.062 278 K CA -0.224 56.059 56.287 -0.007 0.000 0.916 278 K CB 0.793 33.284 32.500 -0.015 0.000 1.166 278 K HN 0.351 nan 8.250 nan 0.000 0.458 279 L N 3.414 124.605 121.223 -0.053 0.000 2.292 279 L HA 0.452 4.795 4.340 0.005 0.000 0.284 279 L C -0.427 176.289 176.870 -0.257 0.000 1.065 279 L CA -1.008 53.817 54.840 -0.025 0.000 0.806 279 L CB 1.357 43.442 42.059 0.043 0.000 1.175 279 L HN 0.238 nan 8.230 nan 0.000 0.431 280 V N 4.379 124.183 119.914 -0.184 0.000 2.509 280 V HA 0.338 4.461 4.120 0.005 0.000 0.289 280 V C -0.228 175.819 176.094 -0.079 0.000 1.026 280 V CA -0.508 61.539 62.300 -0.422 0.000 0.872 280 V CB 0.162 31.627 31.823 -0.597 0.000 1.017 280 V HN 0.212 nan 8.190 nan 0.000 0.436 281 F N 3.539 123.435 119.950 -0.090 0.000 2.719 281 F HA 0.561 5.091 4.527 0.005 0.000 0.309 281 F C -1.140 174.725 175.800 0.108 0.000 1.138 281 F CA -1.009 57.026 58.000 0.059 0.000 0.943 281 F CB 0.987 40.163 39.000 0.293 0.000 1.304 281 F HN -0.068 nan 8.300 nan 0.000 0.445 282 S N 2.382 118.386 115.700 0.507 0.000 2.552 282 S HA 0.377 4.850 4.470 0.005 0.000 0.314 282 S C -0.642 174.279 174.600 0.535 0.000 1.099 282 S CA -0.167 58.268 58.200 0.392 0.000 1.070 282 S CB 0.829 64.164 63.200 0.225 0.000 0.998 282 S HN 0.276 nan 8.310 nan 0.000 0.474 283 V N 6.795 126.934 119.914 0.374 0.000 2.470 283 V HA 0.141 4.264 4.120 0.005 0.000 0.276 283 V C -0.207 175.983 176.094 0.159 0.000 1.040 283 V CA -0.396 61.942 62.300 0.063 0.000 1.008 283 V CB 0.416 32.007 31.823 -0.387 0.000 0.990 283 V HN 0.606 nan 8.190 nan 0.000 0.477 284 W N 6.480 127.843 121.300 0.104 0.000 2.471 284 W HA 0.541 5.203 4.660 0.004 0.000 0.318 284 W C -1.245 175.332 176.519 0.096 0.000 1.034 284 W CA -0.570 56.846 57.345 0.119 0.000 1.224 284 W CB 1.631 31.199 29.460 0.179 0.000 1.335 284 W HN 0.593 nan 8.180 nan 0.000 0.452 285 D N 3.851 123.663 120.400 -0.981 0.000 2.966 285 D HA 0.339 4.982 4.640 0.005 0.000 0.222 285 D C -0.237 175.594 176.300 -0.781 0.000 1.292 285 D CA -0.171 53.465 54.000 -0.607 0.000 0.907 285 D CB 2.370 43.023 40.800 -0.246 0.000 1.621 285 D HN 0.431 nan 8.370 nan 0.000 0.557 286 A N 1.969 124.493 122.820 -0.493 0.000 2.238 286 A HA 0.603 4.926 4.320 0.005 0.000 0.210 286 A C 0.907 178.397 177.584 -0.157 0.000 1.179 286 A CA 0.959 52.812 52.037 -0.307 0.000 0.827 286 A CB 0.211 19.170 19.000 -0.068 0.000 0.856 286 A HN 0.664 nan 8.150 nan 0.000 0.488 287 G N -2.382 106.337 108.800 -0.136 0.000 2.328 287 G HA2 0.001 3.964 3.960 0.005 0.000 0.295 287 G HA3 0.001 3.964 3.960 0.005 0.000 0.295 287 G C -0.536 174.327 174.900 -0.062 0.000 1.413 287 G CA -0.512 44.541 45.100 -0.079 0.000 0.817 287 G HN -0.232 nan 8.290 nan 0.000 0.546 288 G N -0.704 108.071 108.800 -0.042 0.000 2.710 288 G HA2 -0.182 3.781 3.960 0.005 0.000 0.668 288 G HA3 -0.182 3.781 3.960 0.005 0.000 0.668 288 G C -1.116 173.767 174.900 -0.029 0.000 1.320 288 G CA -0.762 44.317 45.100 -0.036 0.000 0.860 288 G HN -0.023 nan 8.290 nan 0.000 0.538 289 N N 1.966 120.651 118.700 -0.025 0.000 2.462 289 N HA 0.077 4.820 4.740 0.005 0.000 0.242 289 N C -0.533 174.965 175.510 -0.019 0.000 1.010 289 N CA -0.460 52.581 53.050 -0.015 0.000 0.939 289 N CB 0.457 38.938 38.487 -0.011 0.000 1.127 289 N HN 0.006 nan 8.380 nan 0.000 0.509 290 D N 3.258 123.656 120.400 -0.003 0.000 2.269 290 D HA 0.367 5.010 4.640 0.005 0.000 0.244 290 D C 0.037 176.352 176.300 0.025 0.000 0.992 290 D CA -0.381 53.630 54.000 0.017 0.000 0.894 290 D CB 1.624 42.467 40.800 0.071 0.000 1.248 290 D HN 0.177 nan 8.370 nan 0.000 0.468 291 T N 0.750 115.321 114.554 0.028 0.000 2.916 291 T HA 0.366 4.719 4.350 0.005 0.000 0.298 291 T C -0.100 174.595 174.700 -0.008 0.000 1.031 291 T CA -0.641 61.456 62.100 -0.004 0.000 0.993 291 T CB 1.182 70.020 68.868 -0.049 0.000 1.045 291 T HN 0.106 nan 8.240 nan 0.000 0.454 292 L N 3.095 124.261 121.223 -0.095 0.000 2.259 292 L HA 0.392 4.735 4.340 0.005 0.000 0.288 292 L C -0.088 176.440 176.870 -0.569 0.000 1.051 292 L CA -0.671 53.963 54.840 -0.343 0.000 0.824 292 L CB 0.590 42.465 42.059 -0.307 0.000 1.206 292 L HN 0.588 nan 8.230 nan 0.000 0.429 293 D N 3.894 123.995 120.400 -0.498 0.000 2.443 293 D HA 0.194 4.837 4.640 0.005 0.000 0.221 293 D C -0.367 175.859 176.300 -0.123 0.000 1.097 293 D CA -0.308 53.538 54.000 -0.257 0.000 0.865 293 D CB 0.686 41.447 40.800 -0.065 0.000 1.034 293 D HN 0.178 nan 8.370 nan 0.000 0.511 294 F N 2.419 122.533 119.950 0.273 0.000 2.908 294 F HA 0.216 4.746 4.527 0.005 0.000 0.328 294 F C 2.027 177.907 175.800 0.133 0.000 1.211 294 F CA -0.690 57.540 58.000 0.384 0.000 1.291 294 F CB -0.147 39.113 39.000 0.434 0.000 0.962 294 F HN 0.385 nan 8.300 nan 0.000 0.505 295 S N -0.287 115.437 115.700 0.041 0.000 2.423 295 S HA -0.081 4.392 4.470 0.005 0.000 0.231 295 S C 2.152 176.474 174.600 -0.465 0.000 1.014 295 S CA 1.130 59.224 58.200 -0.176 0.000 0.965 295 S CB -0.055 63.034 63.200 -0.185 0.000 0.785 295 S HN 0.327 nan 8.310 nan 0.000 0.495 296 G N 0.886 108.940 108.800 -1.242 0.000 2.848 296 G HA2 0.128 4.091 3.960 0.005 0.000 0.208 296 G HA3 0.128 4.091 3.960 0.005 0.000 0.208 296 G C -0.152 174.339 174.900 -0.681 0.000 1.152 296 G CA -0.267 43.944 45.100 -1.480 0.000 0.789 296 G HN 0.119 nan 8.290 nan 0.000 0.531 297 F N 0.562 120.454 119.950 -0.098 0.000 2.397 297 F HA 0.442 4.972 4.527 0.005 0.000 0.331 297 F C 1.276 177.076 175.800 -0.001 0.000 1.090 297 F CA -1.816 56.214 58.000 0.050 0.000 1.065 297 F CB 2.097 41.177 39.000 0.133 0.000 1.184 297 F HN 0.091 nan 8.300 nan 0.000 0.499 298 S N -0.287 115.547 115.700 0.223 0.000 2.523 298 S HA 0.075 4.548 4.470 0.005 0.000 0.217 298 S C 0.539 175.183 174.600 0.073 0.000 0.996 298 S CA -0.336 57.926 58.200 0.103 0.000 0.921 298 S CB 0.143 63.383 63.200 0.066 0.000 0.829 298 S HN 0.195 nan 8.310 nan 0.000 0.495 299 Q N 2.153 121.996 119.800 0.072 0.000 2.443 299 Q HA 0.099 4.442 4.340 0.005 0.000 0.232 299 Q C -0.157 175.841 176.000 -0.004 0.000 1.026 299 Q CA 0.042 55.847 55.803 0.003 0.000 0.924 299 Q CB 0.724 29.427 28.738 -0.059 0.000 1.256 299 Q HN -0.019 nan 8.270 nan 0.000 0.519 300 N N 1.945 120.626 118.700 -0.031 0.000 2.475 300 N HA 0.057 4.800 4.740 0.005 0.000 0.267 300 N C -0.772 174.694 175.510 -0.074 0.000 1.169 300 N CA 0.107 53.131 53.050 -0.043 0.000 0.947 300 N CB 0.587 39.041 38.487 -0.054 0.000 1.061 300 N HN 0.401 nan 8.380 nan 0.000 0.466 301 Q N 1.306 121.066 119.800 -0.066 0.000 2.351 301 Q HA 0.504 4.847 4.340 0.005 0.000 0.273 301 Q C -0.612 175.290 176.000 -0.163 0.000 1.077 301 Q CA -0.807 54.935 55.803 -0.101 0.000 0.843 301 Q CB 2.393 31.117 28.738 -0.023 0.000 1.367 301 Q HN 0.277 nan 8.270 nan 0.000 0.449 302 K N 1.851 122.096 120.400 -0.257 0.000 2.579 302 K HA 0.504 4.827 4.320 0.005 0.000 0.250 302 K C -1.202 175.275 176.600 -0.206 0.000 0.952 302 K CA -0.219 55.767 56.287 -0.503 0.000 0.857 302 K CB 1.252 33.003 32.500 -1.250 0.000 1.123 302 K HN 0.434 nan 8.250 nan 0.000 0.433 303 I N 2.242 122.826 120.570 0.023 0.000 2.406 303 I HA 0.248 4.421 4.170 0.005 0.000 0.290 303 I C -0.479 175.822 176.117 0.306 0.000 0.999 303 I CA -0.793 60.645 61.300 0.229 0.000 1.124 303 I CB 1.476 39.640 38.000 0.273 0.000 1.289 303 I HN 0.450 nan 8.210 nan 0.000 0.441 304 N N 6.720 125.634 118.700 0.356 0.000 2.442 304 N HA 0.375 5.118 4.740 0.005 0.000 0.274 304 N C -0.027 175.595 175.510 0.187 0.000 1.002 304 N CA -0.454 52.761 53.050 0.275 0.000 0.910 304 N CB 1.699 40.334 38.487 0.248 0.000 1.244 304 N HN 0.600 nan 8.380 nan 0.000 0.492 305 L N 1.456 122.773 121.223 0.157 0.000 2.599 305 L HA 0.168 4.511 4.340 0.005 0.000 0.230 305 L C 0.480 177.406 176.870 0.094 0.000 1.141 305 L CA 0.099 55.013 54.840 0.123 0.000 0.877 305 L CB -0.301 41.826 42.059 0.114 0.000 1.009 305 L HN 0.396 nan 8.230 nan 0.000 0.447 306 N N 1.954 120.707 118.700 0.088 0.000 2.518 306 N HA 0.028 4.771 4.740 0.005 0.000 0.266 306 N C 0.021 175.571 175.510 0.068 0.000 1.196 306 N CA -0.010 53.081 53.050 0.068 0.000 0.947 306 N CB 0.852 39.368 38.487 0.049 0.000 1.098 306 N HN 0.288 nan 8.380 nan 0.000 0.450 307 E N 1.121 121.361 120.200 0.066 0.000 2.413 307 E HA -0.002 4.351 4.350 0.005 0.000 0.263 307 E C -0.268 176.383 176.600 0.084 0.000 1.015 307 E CA -0.097 56.349 56.400 0.077 0.000 0.916 307 E CB 0.547 30.294 29.700 0.077 0.000 0.947 307 E HN 0.481 nan 8.360 nan 0.000 0.440 308 K N -0.651 119.811 120.400 0.104 0.000 3.547 308 K HA -0.229 4.094 4.320 0.005 0.000 0.309 308 K C -0.203 176.463 176.600 0.110 0.000 1.324 308 K CA 0.797 57.154 56.287 0.116 0.000 0.988 308 K CB -1.759 30.804 32.500 0.104 0.000 1.261 308 K HN 0.690 nan 8.250 nan 0.000 0.444 309 A N 0.866 123.737 122.820 0.085 0.000 2.302 309 A HA 0.598 4.921 4.320 0.005 0.000 0.285 309 A C -0.167 177.459 177.584 0.069 0.000 1.105 309 A CA -0.425 51.648 52.037 0.061 0.000 0.816 309 A CB 0.530 19.546 19.000 0.027 0.000 1.067 309 A HN 0.126 nan 8.150 nan 0.000 0.489 310 L N 1.466 122.718 121.223 0.049 0.000 2.334 310 L HA 0.611 4.954 4.340 0.005 0.000 0.275 310 L C -0.083 176.879 176.870 0.155 0.000 1.036 310 L CA 0.251 55.093 54.840 0.003 0.000 0.807 310 L CB 1.680 43.584 42.059 -0.258 0.000 1.231 310 L HN 0.620 nan 8.230 nan 0.000 0.438 311 S N 1.029 116.826 115.700 0.162 0.000 2.568 311 S HA 0.509 4.981 4.470 0.005 0.000 0.293 311 S C -1.283 173.404 174.600 0.146 0.000 1.089 311 S CA -0.541 57.846 58.200 0.312 0.000 0.945 311 S CB 1.370 64.679 63.200 0.181 0.000 1.077 311 S HN 0.269 nan 8.310 nan 0.000 0.485 312 D N 1.991 122.463 120.400 0.120 0.000 2.454 312 D HA 0.399 5.042 4.640 0.005 0.000 0.225 312 D C -0.774 175.415 176.300 -0.185 0.000 1.081 312 D CA -0.071 53.914 54.000 -0.024 0.000 0.864 312 D CB 1.069 41.866 40.800 -0.004 0.000 1.040 312 D HN -0.072 nan 8.370 nan 0.000 0.517 313 V N 0.732 120.456 119.914 -0.318 0.000 2.555 313 V HA 0.613 4.736 4.120 0.005 0.000 0.302 313 V C 1.150 176.857 176.094 -0.645 0.000 1.038 313 V CA -0.753 61.232 62.300 -0.525 0.000 0.887 313 V CB 1.808 33.112 31.823 -0.866 0.000 0.991 313 V HN 0.782 nan 8.190 nan 0.000 0.434 314 G N 3.159 111.444 108.800 -0.859 0.000 2.341 314 G HA2 0.055 4.018 3.960 0.005 0.000 0.292 314 G HA3 0.055 4.018 3.960 0.005 0.000 0.292 314 G C 1.185 175.667 174.900 -0.696 0.000 1.021 314 G CA 0.949 45.185 45.100 -1.440 0.000 0.905 314 G HN 2.348 nan 8.290 nan 0.000 0.508 315 G N -2.888 105.680 108.800 -0.385 0.000 2.199 315 G HA2 -0.101 3.862 3.960 0.005 0.000 0.254 315 G HA3 -0.101 3.862 3.960 0.005 0.000 0.254 315 G C 0.347 175.147 174.900 -0.167 0.000 0.982 315 G CA 0.779 45.747 45.100 -0.220 0.000 0.632 315 G HN 1.228 nan 8.290 nan 0.000 0.529 316 L N 0.038 121.141 121.223 -0.199 0.000 2.416 316 L HA 0.747 5.090 4.340 0.005 0.000 0.263 316 L C 0.607 177.447 176.870 -0.051 0.000 1.065 316 L CA -0.566 54.217 54.840 -0.096 0.000 0.798 316 L CB 1.072 43.069 42.059 -0.102 0.000 1.267 316 L HN 0.098 nan 8.230 nan 0.000 0.467 317 K N -0.074 120.354 120.400 0.046 0.000 2.376 317 K HA 0.527 4.849 4.320 0.005 0.000 0.257 317 K C 0.176 176.843 176.600 0.112 0.000 0.939 317 K CA -0.203 56.141 56.287 0.095 0.000 0.809 317 K CB 1.498 34.068 32.500 0.117 0.000 1.121 317 K HN 0.748 nan 8.250 nan 0.000 0.425 318 G N 2.761 111.585 108.800 0.041 0.000 2.305 318 G HA2 -0.290 3.673 3.960 0.005 0.000 0.287 318 G HA3 -0.290 3.673 3.960 0.005 0.000 0.287 318 G C 0.420 175.283 174.900 -0.062 0.000 1.036 318 G CA 0.767 45.730 45.100 -0.228 0.000 0.887 318 G HN 0.853 nan 8.290 nan 0.000 0.505 319 N N -0.025 118.595 118.700 -0.132 0.000 2.392 319 N HA -0.012 4.731 4.740 0.005 0.000 0.177 319 N C 0.576 175.767 175.510 -0.531 0.000 1.066 319 N CA -0.091 52.674 53.050 -0.474 0.000 0.895 319 N CB 0.527 38.675 38.487 -0.564 0.000 0.988 319 N HN 0.143 nan 8.380 nan 0.000 0.457 320 V N 1.880 121.552 119.914 -0.403 0.000 2.540 320 V HA 0.253 4.376 4.120 0.005 0.000 0.302 320 V C -0.415 175.588 176.094 -0.152 0.000 1.035 320 V CA -0.687 61.353 62.300 -0.434 0.000 0.873 320 V CB 1.377 32.904 31.823 -0.493 0.000 0.992 320 V HN -0.329 nan 8.190 nan 0.000 0.428 321 S N 5.800 121.476 115.700 -0.039 0.000 2.618 321 S HA 0.467 4.940 4.470 0.005 0.000 0.277 321 S C -1.243 173.437 174.600 0.133 0.000 1.138 321 S CA -0.378 57.857 58.200 0.059 0.000 0.844 321 S CB 1.706 64.942 63.200 0.061 0.000 1.127 321 S HN -0.052 nan 8.310 nan 0.000 0.474 322 I N 1.498 122.142 120.570 0.124 0.000 2.406 322 I HA 0.184 4.357 4.170 0.005 0.000 0.290 322 I C 0.197 176.403 176.117 0.149 0.000 0.999 322 I CA -0.224 61.145 61.300 0.115 0.000 1.124 322 I CB 1.732 39.778 38.000 0.076 0.000 1.289 322 I HN 0.035 nan 8.210 nan 0.000 0.441 323 A N 4.747 127.687 122.820 0.200 0.000 2.448 323 A HA 0.592 4.915 4.320 0.005 0.000 0.239 323 A C 0.593 178.321 177.584 0.240 0.000 1.080 323 A CA -0.201 51.996 52.037 0.268 0.000 0.779 323 A CB 0.271 19.540 19.000 0.448 0.000 1.026 323 A HN 0.860 nan 8.150 nan 0.000 0.499 324 A N 0.375 123.333 122.820 0.230 0.000 2.546 324 A HA 0.478 4.801 4.320 0.005 0.000 0.243 324 A C 1.572 179.307 177.584 0.252 0.000 1.063 324 A CA 0.801 52.953 52.037 0.192 0.000 0.757 324 A CB -0.870 18.223 19.000 0.155 0.000 0.991 324 A HN 2.771 nan 8.150 nan 0.000 0.503 325 G N 0.860 109.766 108.800 0.176 0.000 2.157 325 G HA2 -0.122 3.841 3.960 0.005 0.000 0.248 325 G HA3 -0.122 3.841 3.960 0.005 0.000 0.248 325 G C 0.063 175.008 174.900 0.074 0.000 0.979 325 G CA 0.136 45.336 45.100 0.166 0.000 0.650 325 G HN 1.447 nan 8.290 nan 0.000 0.529 326 V N 1.057 120.990 119.914 0.032 0.000 2.459 326 V HA 0.686 4.809 4.120 0.005 0.000 0.295 326 V C 0.311 176.374 176.094 -0.053 0.000 1.029 326 V CA -0.115 62.123 62.300 -0.103 0.000 0.874 326 V CB 1.916 33.654 31.823 -0.141 0.000 0.985 326 V HN 0.250 nan 8.190 nan 0.000 0.438 327 T N 4.461 118.970 114.554 -0.074 0.000 2.788 327 T HA 0.486 4.839 4.350 0.005 0.000 0.296 327 T C -0.332 174.346 174.700 -0.037 0.000 1.009 327 T CA -0.276 61.805 62.100 -0.031 0.000 0.949 327 T CB 1.128 69.987 68.868 -0.016 0.000 0.946 327 T HN 0.332 nan 8.240 nan 0.000 0.453 328 V N 4.097 124.002 119.914 -0.016 0.000 2.427 328 V HA 0.292 4.415 4.120 0.005 0.000 0.286 328 V C 0.690 176.798 176.094 0.023 0.000 1.034 328 V CA -0.533 61.764 62.300 -0.005 0.000 0.893 328 V CB 1.635 33.451 31.823 -0.011 0.000 0.982 328 V HN 0.786 nan 8.190 nan 0.000 0.452 329 E N 2.158 122.373 120.200 0.025 0.000 2.166 329 E HA 0.130 4.483 4.350 0.005 0.000 0.192 329 E C 0.256 176.887 176.600 0.051 0.000 0.967 329 E CA 0.646 57.068 56.400 0.037 0.000 0.840 329 E CB 0.210 29.927 29.700 0.028 0.000 0.795 329 E HN 0.687 nan 8.360 nan 0.000 0.470 330 N N -0.357 118.369 118.700 0.043 0.000 2.380 330 N HA 0.683 5.426 4.740 0.005 0.000 0.290 330 N C -1.209 174.321 175.510 0.034 0.000 1.236 330 N CA -0.617 52.462 53.050 0.047 0.000 0.780 330 N CB 2.167 40.672 38.487 0.029 0.000 1.438 330 N HN 0.021 nan 8.380 nan 0.000 0.491 331 A N 0.647 123.494 122.820 0.046 0.000 2.547 331 A HA 0.704 5.027 4.320 0.005 0.000 0.297 331 A C -1.303 176.303 177.584 0.038 0.000 1.056 331 A CA -0.591 51.464 52.037 0.030 0.000 0.688 331 A CB 0.983 20.041 19.000 0.096 0.000 1.282 331 A HN 0.570 nan 8.150 nan 0.000 0.400 332 I N 2.352 122.923 120.570 0.002 0.000 2.418 332 I HA 0.507 4.680 4.170 0.005 0.000 0.287 332 I C 0.929 177.106 176.117 0.100 0.000 1.008 332 I CA -0.603 60.711 61.300 0.023 0.000 1.104 332 I CB 2.022 40.001 38.000 -0.035 0.000 1.264 332 I HN 0.792 nan 8.210 nan 0.000 0.438 333 G N 3.570 112.441 108.800 0.118 0.000 2.563 333 G HA2 0.603 4.566 3.960 0.005 0.000 0.283 333 G HA3 0.603 4.566 3.960 0.005 0.000 0.283 333 G C 0.151 175.125 174.900 0.123 0.000 1.309 333 G CA -0.162 45.033 45.100 0.160 0.000 1.022 333 G HN 0.710 nan 8.290 nan 0.000 0.501 334 G N -1.015 107.865 108.800 0.133 0.000 2.857 334 G HA2 0.432 4.395 3.960 0.005 0.000 0.217 334 G HA3 0.432 4.395 3.960 0.005 0.000 0.217 334 G C 0.957 175.882 174.900 0.041 0.000 1.357 334 G CA 0.265 45.414 45.100 0.080 0.000 1.033 334 G HN 0.755 nan 8.290 nan 0.000 0.571 335 S N 0.178 115.893 115.700 0.024 0.000 2.603 335 S HA 0.003 4.476 4.470 0.005 0.000 0.220 335 S C 1.160 175.771 174.600 0.018 0.000 0.967 335 S CA -0.237 57.969 58.200 0.011 0.000 0.920 335 S CB 0.446 63.643 63.200 -0.004 0.000 0.773 335 S HN 0.114 nan 8.310 nan 0.000 0.529 336 G N 0.943 109.761 108.800 0.030 0.000 2.543 336 G HA2 0.220 4.183 3.960 0.005 0.000 0.290 336 G HA3 0.220 4.183 3.960 0.005 0.000 0.290 336 G C -0.645 174.258 174.900 0.005 0.000 1.310 336 G CA -0.890 44.219 45.100 0.015 0.000 1.025 336 G HN -0.389 nan 8.290 nan 0.000 0.502 337 S N 1.335 117.029 115.700 -0.010 0.000 2.400 337 S HA 0.289 4.762 4.470 0.005 0.000 0.295 337 S C -0.467 174.114 174.600 -0.032 0.000 1.113 337 S CA -0.049 58.138 58.200 -0.022 0.000 1.064 337 S CB 0.651 63.834 63.200 -0.028 0.000 0.990 337 S HN 0.245 nan 8.310 nan 0.000 0.502 338 D N 2.379 122.764 120.400 -0.024 0.000 2.326 338 D HA 0.360 5.003 4.640 0.005 0.000 0.248 338 D C -0.817 175.454 176.300 -0.049 0.000 1.001 338 D CA -0.558 53.423 54.000 -0.031 0.000 0.961 338 D CB 1.425 42.235 40.800 0.017 0.000 1.183 338 D HN 0.154 nan 8.370 nan 0.000 0.502 339 L N 1.254 122.429 121.223 -0.079 0.000 2.319 339 L HA 0.412 4.755 4.340 0.005 0.000 0.281 339 L C -1.701 175.160 176.870 -0.016 0.000 1.005 339 L CA -0.507 54.287 54.840 -0.078 0.000 0.828 339 L CB 0.986 42.939 42.059 -0.176 0.000 1.227 339 L HN 0.200 nan 8.230 nan 0.000 0.415 340 L N 6.717 127.970 121.223 0.049 0.000 2.319 340 L HA 0.554 4.897 4.340 0.005 0.000 0.281 340 L C -0.594 176.369 176.870 0.155 0.000 1.005 340 L CA 0.051 54.959 54.840 0.113 0.000 0.828 340 L CB 1.627 43.759 42.059 0.123 0.000 1.227 340 L HN 0.488 nan 8.230 nan 0.000 0.415 341 I N 2.659 123.340 120.570 0.184 0.000 2.355 341 I HA 0.485 4.658 4.170 0.005 0.000 0.288 341 I C 0.869 177.111 176.117 0.209 0.000 0.999 341 I CA -0.369 61.061 61.300 0.217 0.000 1.163 341 I CB 1.641 39.745 38.000 0.172 0.000 1.316 341 I HN 0.678 nan 8.210 nan 0.000 0.454 342 G N 4.525 113.460 108.800 0.226 0.000 2.563 342 G HA2 0.340 4.303 3.960 0.005 0.000 0.283 342 G HA3 0.340 4.303 3.960 0.005 0.000 0.283 342 G C -0.358 174.639 174.900 0.162 0.000 1.309 342 G CA -0.368 44.833 45.100 0.168 0.000 1.022 342 G HN 0.707 nan 8.290 nan 0.000 0.501 343 N N -2.011 116.761 118.700 0.121 0.000 3.061 343 N HA 0.260 5.003 4.740 0.005 0.000 0.346 343 N C 0.153 175.717 175.510 0.091 0.000 1.392 343 N CA -0.673 52.440 53.050 0.105 0.000 0.762 343 N CB 0.360 38.897 38.487 0.083 0.000 1.367 343 N HN 0.198 nan 8.380 nan 0.000 0.607 344 D N -0.886 119.560 120.400 0.077 0.000 2.310 344 D HA -0.008 4.635 4.640 0.005 0.000 0.212 344 D C 0.702 177.034 176.300 0.054 0.000 0.965 344 D CA 0.647 54.687 54.000 0.066 0.000 0.879 344 D CB -0.294 40.542 40.800 0.060 0.000 0.921 344 D HN 0.444 nan 8.370 nan 0.000 0.510 345 V N -2.150 117.795 119.914 0.052 0.000 3.336 345 V HA 0.722 4.845 4.120 0.005 0.000 0.314 345 V C 0.232 176.354 176.094 0.047 0.000 1.088 345 V CA -1.349 60.977 62.300 0.043 0.000 1.033 345 V CB 1.142 32.987 31.823 0.036 0.000 1.181 345 V HN -0.011 nan 8.190 nan 0.000 0.449 346 A N 1.893 124.738 122.820 0.042 0.000 2.491 346 A HA 0.451 4.774 4.320 0.005 0.000 0.261 346 A C 0.123 177.741 177.584 0.057 0.000 1.101 346 A CA -0.089 51.976 52.037 0.046 0.000 0.772 346 A CB -1.446 17.577 19.000 0.039 0.000 1.043 346 A HN 0.996 nan 8.150 nan 0.000 0.501 347 N N 0.545 119.288 118.700 0.071 0.000 2.335 347 N HA 0.559 5.302 4.740 0.005 0.000 0.304 347 N C -1.304 174.276 175.510 0.116 0.000 1.135 347 N CA -0.758 52.344 53.050 0.088 0.000 0.817 347 N CB 2.294 40.839 38.487 0.097 0.000 1.294 347 N HN 0.296 nan 8.380 nan 0.000 0.497 348 V N 2.408 122.399 119.914 0.129 0.000 2.347 348 V HA 0.375 4.497 4.120 0.005 0.000 0.280 348 V C -0.586 175.619 176.094 0.185 0.000 1.021 348 V CA -0.533 61.881 62.300 0.190 0.000 0.847 348 V CB 0.476 32.400 31.823 0.167 0.000 0.990 348 V HN 0.458 nan 8.190 nan 0.000 0.444 349 L N 5.878 127.251 121.223 0.250 0.000 2.333 349 L HA 0.631 4.974 4.340 0.005 0.000 0.280 349 L C -0.231 176.814 176.870 0.293 0.000 1.004 349 L CA -0.614 54.360 54.840 0.223 0.000 0.820 349 L CB 1.862 44.046 42.059 0.210 0.000 1.247 349 L HN 0.497 nan 8.230 nan 0.000 0.416 350 K N 1.838 122.352 120.400 0.189 0.000 2.450 350 K HA 0.346 4.669 4.320 0.005 0.000 0.257 350 K C 0.703 177.382 176.600 0.131 0.000 0.953 350 K CA -0.464 55.927 56.287 0.173 0.000 0.844 350 K CB 2.306 34.801 32.500 -0.009 0.000 1.103 350 K HN 0.774 nan 8.250 nan 0.000 0.429 351 G N 1.937 110.829 108.800 0.154 0.000 2.464 351 G HA2 0.168 4.131 3.960 0.005 0.000 0.217 351 G HA3 0.168 4.131 3.960 0.005 0.000 0.217 351 G C 0.743 175.683 174.900 0.066 0.000 1.138 351 G CA 0.644 45.800 45.100 0.094 0.000 0.793 351 G HN 0.939 nan 8.290 nan 0.000 0.539 352 G N -0.359 108.480 108.800 0.065 0.000 2.645 352 G HA2 0.255 4.218 3.960 0.005 0.000 0.239 352 G HA3 0.255 4.218 3.960 0.005 0.000 0.239 352 G C 0.485 175.403 174.900 0.030 0.000 1.331 352 G CA 0.028 45.146 45.100 0.031 0.000 0.890 352 G HN 1.408 nan 8.290 nan 0.000 0.572 353 A N -0.641 122.187 122.820 0.013 0.000 2.366 353 A HA 0.863 5.186 4.320 0.005 0.000 0.250 353 A C 1.715 179.303 177.584 0.008 0.000 1.099 353 A CA 1.981 54.023 52.037 0.009 0.000 0.794 353 A CB -0.097 18.902 19.000 -0.000 0.000 1.056 353 A HN 3.027 nan 8.150 nan 0.000 0.499 354 G N -0.045 108.756 108.800 0.001 0.000 2.699 354 G HA2 -0.061 3.902 3.960 0.005 0.000 0.686 354 G HA3 -0.061 3.902 3.960 0.005 0.000 0.686 354 G C -0.782 174.109 174.900 -0.014 0.000 1.301 354 G CA -0.378 44.719 45.100 -0.005 0.000 0.816 354 G HN 0.992 nan 8.290 nan 0.000 0.595 355 N N 2.116 120.802 118.700 -0.023 0.000 2.602 355 N HA 0.316 5.059 4.740 0.005 0.000 0.238 355 N C -0.361 175.120 175.510 -0.049 0.000 1.084 355 N CA -0.135 52.893 53.050 -0.037 0.000 0.952 355 N CB 0.635 39.103 38.487 -0.032 0.000 1.244 355 N HN 0.516 nan 8.380 nan 0.000 0.512 356 D N 2.299 122.660 120.400 -0.066 0.000 2.294 356 D HA 0.325 4.968 4.640 0.005 0.000 0.250 356 D C 0.511 176.736 176.300 -0.126 0.000 1.058 356 D CA -0.244 53.711 54.000 -0.075 0.000 0.950 356 D CB 1.449 42.219 40.800 -0.050 0.000 1.158 356 D HN -0.063 nan 8.370 nan 0.000 0.453 357 I N 1.289 121.803 120.570 -0.094 0.000 2.389 357 I HA 0.248 4.421 4.170 0.005 0.000 0.288 357 I C -0.334 175.751 176.117 -0.053 0.000 0.999 357 I CA -0.593 60.652 61.300 -0.091 0.000 1.129 357 I CB 1.019 38.994 38.000 -0.041 0.000 1.288 357 I HN -0.216 nan 8.210 nan 0.000 0.444 358 L N 7.108 128.284 121.223 -0.079 0.000 2.346 358 L HA 0.443 4.786 4.340 0.005 0.000 0.276 358 L C -1.021 175.928 176.870 0.131 0.000 1.006 358 L CA -0.552 54.311 54.840 0.039 0.000 0.817 358 L CB 1.421 43.511 42.059 0.052 0.000 1.272 358 L HN 0.386 nan 8.230 nan 0.000 0.421 359 Y N 1.188 121.493 120.300 0.008 0.000 2.402 359 Y HA 0.486 5.039 4.550 0.005 0.000 0.325 359 Y C 0.954 176.854 175.900 0.001 0.000 1.009 359 Y CA -0.602 57.479 58.100 -0.032 0.000 1.278 359 Y CB 1.770 40.223 38.460 -0.012 0.000 1.105 359 Y HN 0.669 nan 8.280 nan 0.000 0.476 360 G N 2.872 111.546 108.800 -0.210 0.000 2.443 360 G HA2 0.268 4.231 3.960 0.005 0.000 0.219 360 G HA3 0.268 4.231 3.960 0.005 0.000 0.219 360 G C 0.902 175.747 174.900 -0.093 0.000 1.131 360 G CA 0.663 45.712 45.100 -0.084 0.000 0.775 360 G HN 1.350 nan 8.290 nan 0.000 0.547 361 G N -0.417 108.169 108.800 -0.356 0.000 2.598 361 G HA2 -0.236 3.727 3.960 0.005 0.000 0.244 361 G HA3 -0.236 3.727 3.960 0.005 0.000 0.244 361 G C 0.151 175.033 174.900 -0.029 0.000 1.302 361 G CA -0.242 44.786 45.100 -0.120 0.000 0.903 361 G HN 0.601 nan 8.290 nan 0.000 0.575 362 L N 1.503 122.756 121.223 0.049 0.000 2.476 362 L HA 0.490 4.833 4.340 0.005 0.000 0.264 362 L C 1.536 178.432 176.870 0.045 0.000 1.224 362 L CA 0.867 55.739 54.840 0.054 0.000 0.821 362 L CB -0.218 41.879 42.059 0.064 0.000 1.101 362 L HN 2.501 nan 8.230 nan 0.000 0.488 363 G N 0.462 109.287 108.800 0.041 0.000 2.730 363 G HA2 0.038 4.001 3.960 0.005 0.000 0.686 363 G HA3 0.038 4.001 3.960 0.005 0.000 0.686 363 G C -0.531 174.386 174.900 0.029 0.000 1.343 363 G CA -0.455 44.666 45.100 0.034 0.000 0.826 363 G HN 1.003 nan 8.290 nan 0.000 0.582 364 A N 1.410 124.243 122.820 0.021 0.000 2.527 364 A HA 0.566 4.889 4.320 0.005 0.000 0.313 364 A C 0.355 177.953 177.584 0.023 0.000 1.410 364 A CA -0.079 51.965 52.037 0.011 0.000 1.060 364 A CB -0.030 18.969 19.000 -0.002 0.000 1.137 364 A HN 0.581 nan 8.150 nan 0.000 0.542 365 D N 2.438 122.858 120.400 0.032 0.000 2.283 365 D HA 0.070 4.713 4.640 0.005 0.000 0.248 365 D C 0.218 176.543 176.300 0.041 0.000 1.072 365 D CA -0.301 53.730 54.000 0.052 0.000 0.929 365 D CB 1.012 41.851 40.800 0.064 0.000 1.182 365 D HN -0.072 nan 8.370 nan 0.000 0.433 366 Q N 1.473 121.318 119.800 0.074 0.000 2.400 366 Q HA 0.399 4.742 4.340 0.005 0.000 0.255 366 Q C -0.345 175.721 176.000 0.109 0.000 1.008 366 Q CA -0.248 55.583 55.803 0.046 0.000 0.841 366 Q CB 0.813 29.642 28.738 0.150 0.000 1.220 366 Q HN -0.045 nan 8.270 nan 0.000 0.474 367 L N 2.301 123.514 121.223 -0.017 0.000 2.313 367 L HA 0.533 4.876 4.340 0.005 0.000 0.283 367 L C -0.810 176.100 176.870 0.067 0.000 1.013 367 L CA -0.765 54.170 54.840 0.159 0.000 0.816 367 L CB 1.007 43.223 42.059 0.262 0.000 1.236 367 L HN 0.456 nan 8.230 nan 0.000 0.419 368 W N 1.860 123.313 121.300 0.255 0.000 2.475 368 W HA 0.497 5.160 4.660 0.005 0.000 0.320 368 W C 0.998 177.692 176.519 0.291 0.000 1.022 368 W CA -0.636 56.849 57.345 0.232 0.000 1.240 368 W CB 1.727 31.266 29.460 0.132 0.000 1.328 368 W HN 0.610 nan 8.180 nan 0.000 0.439 369 G N 1.651 110.799 108.800 0.581 0.000 2.494 369 G HA2 0.354 4.317 3.960 0.005 0.000 0.216 369 G HA3 0.354 4.317 3.960 0.005 0.000 0.216 369 G C 0.927 175.957 174.900 0.216 0.000 1.140 369 G CA 0.593 45.897 45.100 0.340 0.000 0.801 369 G HN 0.984 nan 8.290 nan 0.000 0.536 370 G N -0.367 108.590 108.800 0.261 0.000 2.645 370 G HA2 0.263 4.226 3.960 0.005 0.000 0.239 370 G HA3 0.263 4.226 3.960 0.005 0.000 0.239 370 G C 0.447 175.409 174.900 0.103 0.000 1.331 370 G CA -0.046 45.154 45.100 0.168 0.000 0.890 370 G HN 1.401 nan 8.290 nan 0.000 0.572 371 A N -0.528 122.329 122.820 0.062 0.000 2.386 371 A HA 0.851 5.174 4.320 0.005 0.000 0.246 371 A C 1.731 179.325 177.584 0.017 0.000 1.089 371 A CA 2.039 54.096 52.037 0.033 0.000 0.790 371 A CB -0.073 18.939 19.000 0.020 0.000 1.042 371 A HN 3.019 nan 8.150 nan 0.000 0.497 372 G N -1.498 107.303 108.800 0.001 0.000 2.712 372 G HA2 0.438 4.401 3.960 0.005 0.000 0.683 372 G HA3 0.438 4.401 3.960 0.005 0.000 0.683 372 G C -0.024 174.860 174.900 -0.028 0.000 1.320 372 G CA -0.202 44.890 45.100 -0.013 0.000 0.847 372 G HN 2.271 nan 8.290 nan 0.000 0.553 373 A N 1.328 124.126 122.820 -0.037 0.000 2.415 373 A HA 0.099 4.421 4.320 0.005 0.000 0.309 373 A C 0.047 177.588 177.584 -0.072 0.000 1.356 373 A CA -0.378 51.628 52.037 -0.052 0.000 0.998 373 A CB 0.193 19.171 19.000 -0.037 0.000 1.145 373 A HN 0.020 nan 8.150 nan 0.000 0.545 374 D N 2.117 122.453 120.400 -0.106 0.000 2.181 374 D HA 0.319 4.962 4.640 0.005 0.000 0.248 374 D C -0.179 175.943 176.300 -0.297 0.000 1.020 374 D CA 0.029 53.892 54.000 -0.228 0.000 0.891 374 D CB 1.690 42.311 40.800 -0.297 0.000 1.187 374 D HN 0.056 nan 8.370 nan 0.000 0.443 375 T N 1.264 115.596 114.554 -0.370 0.000 2.812 375 T HA 0.387 4.740 4.350 0.005 0.000 0.282 375 T C -0.425 174.066 174.700 -0.348 0.000 0.990 375 T CA -0.557 61.427 62.100 -0.193 0.000 0.960 375 T CB 0.374 69.229 68.868 -0.021 0.000 0.948 375 T HN 0.092 nan 8.240 nan 0.000 0.438 376 F N 2.382 122.471 119.950 0.232 0.000 2.361 376 F HA 0.488 5.018 4.527 0.005 0.000 0.364 376 F C 0.260 176.188 175.800 0.214 0.000 1.120 376 F CA -0.993 57.134 58.000 0.211 0.000 1.102 376 F CB 0.771 39.959 39.000 0.312 0.000 1.183 376 F HN 0.189 nan 8.300 nan 0.000 0.476 377 V N 4.035 124.045 119.914 0.159 0.000 2.539 377 V HA 0.346 4.469 4.120 0.005 0.000 0.292 377 V C -0.759 175.238 176.094 -0.162 0.000 1.045 377 V CA -0.951 61.478 62.300 0.215 0.000 0.945 377 V CB 1.208 33.245 31.823 0.357 0.000 0.993 377 V HN 0.493 nan 8.190 nan 0.000 0.464 378 Y N 3.078 123.591 120.300 0.354 0.000 2.391 378 Y HA 0.260 4.813 4.550 0.005 0.000 0.341 378 Y C 0.983 177.087 175.900 0.341 0.000 0.965 378 Y CA -0.595 57.658 58.100 0.255 0.000 1.067 378 Y CB 1.616 40.250 38.460 0.290 0.000 1.199 378 Y HN 0.024 nan 8.280 nan 0.000 0.450 379 G N 1.611 110.693 108.800 0.471 0.000 2.944 379 G HA2 0.078 4.041 3.960 0.005 0.000 0.223 379 G HA3 0.078 4.041 3.960 0.005 0.000 0.223 379 G C -0.628 174.407 174.900 0.225 0.000 1.071 379 G CA -0.079 45.293 45.100 0.453 0.000 0.806 379 G HN 0.194 nan 8.290 nan 0.000 0.538 380 D N -0.304 120.209 120.400 0.188 0.000 2.837 380 D HA 0.169 4.812 4.640 0.005 0.000 0.220 380 D C 0.864 177.212 176.300 0.081 0.000 1.236 380 D CA -0.629 53.413 54.000 0.071 0.000 0.838 380 D CB 1.799 42.660 40.800 0.101 0.000 1.647 380 D HN -0.212 nan 8.370 nan 0.000 0.486 381 I N 2.077 122.602 120.570 -0.076 0.000 2.194 381 I HA -0.217 3.956 4.170 0.005 0.000 0.246 381 I C 2.527 178.785 176.117 0.235 0.000 1.093 381 I CA 1.363 62.670 61.300 0.012 0.000 1.355 381 I CB -1.680 36.194 38.000 -0.211 0.000 1.046 381 I HN 0.520 nan 8.210 nan 0.000 0.413 382 A N 0.816 123.706 122.820 0.117 0.000 2.076 382 A HA -0.180 4.143 4.320 0.005 0.000 0.220 382 A C 2.354 180.017 177.584 0.130 0.000 1.160 382 A CA 1.102 53.203 52.037 0.106 0.000 0.653 382 A CB -0.277 18.763 19.000 0.068 0.000 0.801 382 A HN 0.260 nan 8.150 nan 0.000 0.455 383 E N -0.457 119.857 120.200 0.190 0.000 2.268 383 E HA -0.030 4.323 4.350 0.005 0.000 0.195 383 E C 0.954 177.664 176.600 0.183 0.000 0.995 383 E CA 0.388 56.896 56.400 0.180 0.000 0.836 383 E CB 0.345 30.157 29.700 0.187 0.000 0.763 383 E HN 0.248 nan 8.360 nan 0.000 0.491 384 S N 0.904 116.693 115.700 0.149 0.000 2.605 384 S HA 0.081 4.554 4.470 0.005 0.000 0.142 384 S C -0.556 173.902 174.600 -0.236 0.000 1.452 384 S CA -0.418 57.705 58.200 -0.128 0.000 1.240 384 S CB -0.032 62.925 63.200 -0.404 0.000 1.538 384 S HN 0.010 nan 8.310 nan 0.000 0.394 385 S N 1.894 117.566 115.700 -0.048 0.000 2.593 385 S HA 0.209 4.682 4.470 0.005 0.000 0.269 385 S C 1.257 175.823 174.600 -0.057 0.000 1.334 385 S CA -0.326 57.872 58.200 -0.004 0.000 1.015 385 S CB 1.157 64.374 63.200 0.029 0.000 0.912 385 S HN 0.227 nan 8.310 nan 0.000 0.541 386 A N 3.099 125.912 122.820 -0.011 0.000 2.024 386 A HA 0.005 4.328 4.320 0.005 0.000 0.220 386 A C 2.093 179.665 177.584 -0.019 0.000 1.164 386 A CA 1.720 53.749 52.037 -0.013 0.000 0.643 386 A CB -1.029 17.993 19.000 0.036 0.000 0.806 386 A HN 0.867 nan 8.150 nan 0.000 0.451 387 A N -1.282 121.531 122.820 -0.012 0.000 2.016 387 A HA 0.496 4.819 4.320 0.005 0.000 0.217 387 A C 1.293 178.866 177.584 -0.018 0.000 1.162 387 A CA 1.350 53.379 52.037 -0.013 0.000 0.662 387 A CB -0.261 18.735 19.000 -0.007 0.000 0.812 387 A HN 1.374 nan 8.150 nan 0.000 0.450 388 A N 1.066 123.870 122.820 -0.026 0.000 3.300 388 A HA 0.234 4.557 4.320 0.005 0.000 0.300 388 A C -2.816 174.739 177.584 -0.049 0.000 1.099 388 A CA -0.946 51.075 52.037 -0.027 0.000 0.846 388 A CB 0.451 19.445 19.000 -0.009 0.000 1.255 388 A HN 0.018 nan 8.150 nan 0.000 0.519 389 P HA 0.042 nan 4.420 nan 0.000 0.277 389 P C -0.138 177.106 177.300 -0.093 0.000 1.240 389 P CA -0.910 62.113 63.100 -0.128 0.000 0.798 389 P CB 0.739 32.343 31.700 -0.161 0.000 0.979 390 D N 1.155 121.500 120.400 -0.092 0.000 2.371 390 D HA 0.114 4.757 4.640 0.005 0.000 0.242 390 D C 0.572 176.813 176.300 -0.099 0.000 1.218 390 D CA 0.069 54.043 54.000 -0.043 0.000 0.945 390 D CB 0.583 41.409 40.800 0.044 0.000 1.137 390 D HN 0.038 nan 8.370 nan 0.000 0.464 391 T N 1.177 115.666 114.554 -0.109 0.000 2.881 391 T HA 0.348 4.701 4.350 0.005 0.000 0.291 391 T C -0.048 174.502 174.700 -0.251 0.000 0.990 391 T CA -0.496 61.501 62.100 -0.172 0.000 0.976 391 T CB 0.543 69.315 68.868 -0.159 0.000 0.970 391 T HN -0.312 nan 8.240 nan 0.000 0.438 392 L N 4.189 125.224 121.223 -0.313 0.000 2.282 392 L HA 0.389 4.732 4.340 0.005 0.000 0.287 392 L C 1.668 178.300 176.870 -0.397 0.000 1.075 392 L CA -0.730 53.844 54.840 -0.444 0.000 0.839 392 L CB 0.548 42.267 42.059 -0.567 0.000 1.219 392 L HN 0.470 nan 8.230 nan 0.000 0.434 393 R N 2.042 122.187 120.500 -0.592 0.000 2.280 393 R HA -0.044 4.299 4.340 0.005 0.000 0.207 393 R C -0.017 175.974 176.300 -0.515 0.000 1.043 393 R CA 0.565 56.181 56.100 -0.808 0.000 1.006 393 R CB -0.096 29.019 30.300 -1.975 0.000 0.885 393 R HN 0.759 nan 8.270 nan 0.000 0.467 394 D N -2.073 118.194 120.400 -0.221 0.000 3.118 394 D HA -0.031 4.612 4.640 0.005 0.000 0.352 394 D C -0.530 175.819 176.300 0.081 0.000 1.498 394 D CA -0.614 53.392 54.000 0.010 0.000 0.759 394 D CB -1.201 39.708 40.800 0.182 0.000 1.251 394 D HN -0.139 nan 8.370 nan 0.000 0.504 395 F N 1.235 121.132 119.950 -0.088 0.000 2.578 395 F HA 0.335 4.864 4.527 0.005 0.000 0.376 395 F C -0.184 175.612 175.800 -0.006 0.000 1.085 395 F CA 0.165 58.138 58.000 -0.045 0.000 1.260 395 F CB 0.891 39.810 39.000 -0.135 0.000 1.095 395 F HN -0.095 nan 8.300 nan 0.000 0.573 396 V N 7.478 127.112 119.914 -0.466 0.000 2.349 396 V HA 0.193 4.316 4.120 0.005 0.000 0.284 396 V C 0.148 176.029 176.094 -0.356 0.000 1.014 396 V CA -1.058 61.090 62.300 -0.255 0.000 0.826 396 V CB 1.218 32.949 31.823 -0.153 0.000 1.009 396 V HN 0.834 nan 8.190 nan 0.000 0.431 397 S N 3.382 119.030 115.700 -0.088 0.000 2.558 397 S HA 0.320 4.793 4.470 0.005 0.000 0.288 397 S C 1.398 175.971 174.600 -0.044 0.000 1.318 397 S CA 1.043 59.254 58.200 0.018 0.000 1.056 397 S CB 0.223 63.457 63.200 0.056 0.000 0.853 397 S HN 1.146 nan 8.310 nan 0.000 0.505 398 G N 3.362 112.152 108.800 -0.017 0.000 2.234 398 G HA2 -0.256 3.707 3.960 0.005 0.000 0.260 398 G HA3 -0.256 3.707 3.960 0.005 0.000 0.260 398 G C 0.642 175.516 174.900 -0.044 0.000 0.987 398 G CA 0.553 45.641 45.100 -0.021 0.000 0.625 398 G HN 0.685 nan 8.290 nan 0.000 0.532 399 Q N -0.607 119.134 119.800 -0.098 0.000 2.644 399 Q HA 0.126 4.469 4.340 0.005 0.000 0.220 399 Q C 0.114 176.037 176.000 -0.128 0.000 0.866 399 Q CA 0.175 55.918 55.803 -0.100 0.000 0.915 399 Q CB 0.493 29.167 28.738 -0.106 0.000 1.191 399 Q HN 0.501 nan 8.270 nan 0.000 0.641 400 D N 1.585 121.816 120.400 -0.281 0.000 2.354 400 D HA 0.250 4.893 4.640 0.005 0.000 0.247 400 D C -0.285 175.988 176.300 -0.045 0.000 1.138 400 D CA -0.051 53.793 54.000 -0.259 0.000 0.958 400 D CB 0.878 41.359 40.800 -0.530 0.000 1.144 400 D HN -0.258 nan 8.370 nan 0.000 0.458 401 K N 0.193 120.741 120.400 0.247 0.000 2.469 401 K HA 0.393 4.716 4.320 0.005 0.000 0.254 401 K C -0.682 176.280 176.600 0.604 0.000 0.939 401 K CA -0.931 55.594 56.287 0.398 0.000 0.812 401 K CB 1.372 34.005 32.500 0.221 0.000 1.301 401 K HN -0.101 nan 8.250 nan 0.000 0.433 402 I N 1.528 122.410 120.570 0.519 0.000 2.355 402 I HA 0.129 4.302 4.170 0.005 0.000 0.288 402 I C -0.340 176.003 176.117 0.377 0.000 0.999 402 I CA -0.490 61.102 61.300 0.488 0.000 1.163 402 I CB 1.391 39.567 38.000 0.293 0.000 1.316 402 I HN 0.342 nan 8.210 nan 0.000 0.454 403 D N 7.686 128.343 120.400 0.428 0.000 2.392 403 D HA 0.322 4.965 4.640 0.005 0.000 0.228 403 D C 0.152 176.681 176.300 0.383 0.000 1.074 403 D CA -0.231 53.970 54.000 0.335 0.000 0.838 403 D CB 1.487 42.467 40.800 0.300 0.000 1.067 403 D HN 0.459 nan 8.370 nan 0.000 0.511 404 L N 3.605 124.983 121.223 0.259 0.000 2.808 404 L HA 0.088 4.431 4.340 0.005 0.000 0.246 404 L C 1.818 178.820 176.870 0.220 0.000 1.153 404 L CA -0.087 54.911 54.840 0.262 0.000 0.956 404 L CB 0.130 42.336 42.059 0.246 0.000 1.270 404 L HN 0.274 nan 8.230 nan 0.000 0.528 405 S N 1.179 116.950 115.700 0.119 0.000 2.419 405 S HA -0.159 4.314 4.470 0.005 0.000 0.235 405 S C 1.839 176.413 174.600 -0.044 0.000 1.019 405 S CA 1.997 60.229 58.200 0.053 0.000 0.982 405 S CB -0.257 62.972 63.200 0.048 0.000 0.789 405 S HN 0.147 nan 8.310 nan 0.000 0.490 406 G N 1.175 109.827 108.800 -0.247 0.000 2.880 406 G HA2 0.247 4.210 3.960 0.005 0.000 0.209 406 G HA3 0.247 4.210 3.960 0.005 0.000 0.209 406 G C 0.240 174.948 174.900 -0.320 0.000 1.157 406 G CA -0.428 44.230 45.100 -0.735 0.000 0.779 406 G HN 0.225 nan 8.290 nan 0.000 0.539 407 L N 0.828 122.006 121.223 -0.075 0.000 2.453 407 L HA 0.082 4.425 4.340 0.005 0.000 0.272 407 L C 1.595 178.363 176.870 -0.170 0.000 1.182 407 L CA -0.412 54.350 54.840 -0.130 0.000 0.858 407 L CB 0.924 42.857 42.059 -0.210 0.000 1.120 407 L HN 0.097 nan 8.230 nan 0.000 0.474 408 D N 2.503 122.784 120.400 -0.198 0.000 2.149 408 D HA -0.235 4.408 4.640 0.005 0.000 0.194 408 D C 1.957 178.137 176.300 -0.201 0.000 1.001 408 D CA 1.925 55.827 54.000 -0.163 0.000 0.849 408 D CB 0.357 41.067 40.800 -0.150 0.000 0.939 408 D HN 0.698 nan 8.370 nan 0.000 0.449 409 A N -0.843 121.758 122.820 -0.366 0.000 1.940 409 A HA -0.145 4.178 4.320 0.005 0.000 0.219 409 A C 1.959 179.340 177.584 -0.337 0.000 1.176 409 A CA 1.421 53.210 52.037 -0.413 0.000 0.631 409 A CB -0.894 17.738 19.000 -0.614 0.000 0.814 409 A HN 0.335 nan 8.150 nan 0.000 0.446 410 F N -0.778 119.162 119.950 -0.017 0.000 2.262 410 F HA 0.029 4.559 4.527 0.005 0.000 0.292 410 F C 2.388 178.175 175.800 -0.022 0.000 1.081 410 F CA 0.772 58.769 58.000 -0.006 0.000 1.355 410 F CB -0.835 38.163 39.000 -0.004 0.000 1.069 410 F HN 0.005 nan 8.300 nan 0.000 0.506 411 V N 0.185 120.166 119.914 0.113 0.000 2.323 411 V HA -0.214 3.909 4.120 0.005 0.000 0.244 411 V C 1.506 177.615 176.094 0.025 0.000 1.041 411 V CA 2.256 64.585 62.300 0.049 0.000 1.025 411 V CB -0.816 31.003 31.823 -0.007 0.000 0.656 411 V HN 0.338 nan 8.190 nan 0.000 0.451 412 N N 0.056 118.753 118.700 -0.005 0.000 2.591 412 N HA 0.079 4.822 4.740 0.005 0.000 0.200 412 N C 1.882 177.385 175.510 -0.012 0.000 1.040 412 N CA 0.667 53.711 53.050 -0.011 0.000 0.911 412 N CB -0.254 38.217 38.487 -0.026 0.000 1.259 412 N HN 0.412 nan 8.380 nan 0.000 0.438 413 G N 0.229 109.005 108.800 -0.039 0.000 2.586 413 G HA2 0.028 3.991 3.960 0.005 0.000 0.215 413 G HA3 0.028 3.991 3.960 0.005 0.000 0.215 413 G C 1.056 175.956 174.900 0.001 0.000 1.128 413 G CA 0.690 45.769 45.100 -0.035 0.000 0.774 413 G HN 0.456 nan 8.290 nan 0.000 0.543 414 G N -0.817 108.004 108.800 0.034 0.000 2.258 414 G HA2 -0.281 3.682 3.960 0.005 0.000 0.274 414 G HA3 -0.281 3.682 3.960 0.005 0.000 0.274 414 G C 0.376 175.334 174.900 0.097 0.000 1.021 414 G CA 0.464 45.606 45.100 0.071 0.000 0.798 414 G HN 0.697 nan 8.290 nan 0.000 0.507 415 L N -0.008 121.281 121.223 0.110 0.000 2.461 415 L HA 0.540 4.883 4.340 0.005 0.000 0.272 415 L C 0.455 177.484 176.870 0.264 0.000 1.197 415 L CA 0.012 54.930 54.840 0.131 0.000 0.836 415 L CB 1.198 43.281 42.059 0.038 0.000 1.105 415 L HN 0.043 nan 8.230 nan 0.000 0.477 416 V N 5.533 125.546 119.914 0.165 0.000 2.487 416 V HA 0.301 4.424 4.120 0.005 0.000 0.298 416 V C -0.215 175.930 176.094 0.084 0.000 1.028 416 V CA -0.855 61.522 62.300 0.128 0.000 0.860 416 V CB 1.594 33.457 31.823 0.066 0.000 0.991 416 V HN 0.490 nan 8.190 nan 0.000 0.427 417 L N 4.274 125.525 121.223 0.047 0.000 2.410 417 L HA 0.335 4.678 4.340 0.005 0.000 0.273 417 L C 0.198 176.984 176.870 -0.141 0.000 1.152 417 L CA 0.858 55.635 54.840 -0.106 0.000 0.855 417 L CB 0.743 42.673 42.059 -0.214 0.000 1.129 417 L HN 0.774 nan 8.230 nan 0.000 0.463 418 Q N 3.554 123.229 119.800 -0.208 0.000 2.320 418 Q HA 0.271 4.614 4.340 0.005 0.000 0.268 418 Q C -1.668 174.234 176.000 -0.162 0.000 1.023 418 Q CA -0.690 55.056 55.803 -0.096 0.000 0.744 418 Q CB 0.893 29.611 28.738 -0.034 0.000 1.246 418 Q HN 0.506 nan 8.270 nan 0.000 0.462 419 Y N 2.378 122.679 120.300 0.001 0.000 2.359 419 Y HA 0.347 4.900 4.550 0.005 0.000 0.334 419 Y C 0.551 176.440 175.900 -0.018 0.000 1.058 419 Y CA -0.114 57.981 58.100 -0.009 0.000 1.244 419 Y CB 0.996 39.447 38.460 -0.015 0.000 1.187 419 Y HN 0.413 nan 8.280 nan 0.000 0.510 420 V N -1.185 118.774 119.914 0.075 0.000 3.156 420 V HA 0.523 4.646 4.120 0.005 0.000 0.310 420 V C -0.365 175.698 176.094 -0.051 0.000 1.234 420 V CA -0.887 61.418 62.300 0.009 0.000 1.065 420 V CB 2.368 34.183 31.823 -0.013 0.000 1.088 420 V HN 0.541 nan 8.190 nan 0.000 0.451 421 D N 0.652 121.008 120.400 -0.073 0.000 2.366 421 D HA 0.564 5.207 4.640 0.005 0.000 0.205 421 D C 0.510 176.701 176.300 -0.180 0.000 1.022 421 D CA 1.490 55.428 54.000 -0.104 0.000 0.868 421 D CB 1.240 42.002 40.800 -0.062 0.000 0.953 421 D HN 1.050 nan 8.370 nan 0.000 0.514 422 A N -0.014 122.686 122.820 -0.200 0.000 2.566 422 A HA 0.495 4.818 4.320 0.005 0.000 0.297 422 A C -1.286 176.187 177.584 -0.185 0.000 1.059 422 A CA -0.690 51.200 52.037 -0.245 0.000 0.691 422 A CB 0.757 19.687 19.000 -0.117 0.000 1.282 422 A HN -0.140 nan 8.150 nan 0.000 0.401 423 F N 0.899 120.820 119.950 -0.049 0.000 2.471 423 F HA 0.477 5.007 4.527 0.005 0.000 0.353 423 F C 1.275 177.034 175.800 -0.068 0.000 1.113 423 F CA 0.587 58.546 58.000 -0.068 0.000 1.262 423 F CB 1.489 40.436 39.000 -0.088 0.000 1.146 423 F HN 0.694 nan 8.300 nan 0.000 0.578 424 A N 1.812 124.720 122.820 0.146 0.000 2.571 424 A HA 0.517 4.840 4.320 0.005 0.000 0.274 424 A C 1.004 178.598 177.584 0.017 0.000 1.196 424 A CA 0.198 52.266 52.037 0.053 0.000 0.957 424 A CB -0.633 18.387 19.000 0.033 0.000 1.150 424 A HN 1.410 nan 8.150 nan 0.000 0.539 425 G N 0.117 108.916 108.800 -0.001 0.000 2.325 425 G HA2 -0.177 3.786 3.960 0.005 0.000 0.248 425 G HA3 -0.177 3.786 3.960 0.005 0.000 0.248 425 G C -0.251 174.625 174.900 -0.040 0.000 1.108 425 G CA 0.398 45.471 45.100 -0.045 0.000 0.881 425 G HN 0.702 nan 8.290 nan 0.000 0.494 426 K N -0.065 120.308 120.400 -0.045 0.000 2.482 426 K HA 0.732 5.055 4.320 0.005 0.000 0.251 426 K C 0.493 177.047 176.600 -0.076 0.000 0.936 426 K CA -0.259 56.003 56.287 -0.042 0.000 0.791 426 K CB 1.533 34.024 32.500 -0.016 0.000 1.213 426 K HN 0.912 nan 8.250 nan 0.000 0.428 427 A N 1.868 124.646 122.820 -0.072 0.000 2.511 427 A HA 0.444 4.767 4.320 0.005 0.000 0.242 427 A C 1.107 178.626 177.584 -0.108 0.000 1.069 427 A CA 1.128 53.111 52.037 -0.090 0.000 0.763 427 A CB -0.382 18.590 19.000 -0.046 0.000 1.001 427 A HN 1.202 nan 8.150 nan 0.000 0.498 428 G N 1.045 109.724 108.800 -0.201 0.000 2.175 428 G HA2 -0.205 3.757 3.960 0.005 0.000 0.244 428 G HA3 -0.205 3.757 3.960 0.005 0.000 0.244 428 G C 0.182 174.948 174.900 -0.223 0.000 0.982 428 G CA 0.389 45.350 45.100 -0.232 0.000 0.641 428 G HN 0.928 nan 8.290 nan 0.000 0.527 429 Q N 0.297 120.002 119.800 -0.159 0.000 2.314 429 Q HA 0.598 4.940 4.340 0.005 0.000 0.258 429 Q C 0.214 176.231 176.000 0.028 0.000 0.954 429 Q CA 0.588 56.374 55.803 -0.028 0.000 0.890 429 Q CB 1.458 30.293 28.738 0.161 0.000 1.210 429 Q HN 0.840 nan 8.270 nan 0.000 0.410 430 A N 3.358 126.129 122.820 -0.082 0.000 2.414 430 A HA 0.694 5.017 4.320 0.005 0.000 0.306 430 A C -0.937 176.622 177.584 -0.042 0.000 1.054 430 A CA -0.679 51.298 52.037 -0.100 0.000 0.724 430 A CB 1.057 19.760 19.000 -0.494 0.000 1.267 430 A HN 0.717 nan 8.150 nan 0.000 0.418 431 I N 2.802 123.367 120.570 -0.009 0.000 2.389 431 I HA 0.182 4.355 4.170 0.005 0.000 0.288 431 I C -0.658 175.487 176.117 0.046 0.000 0.999 431 I CA -0.358 60.903 61.300 -0.065 0.000 1.129 431 I CB 0.876 38.691 38.000 -0.308 0.000 1.288 431 I HN 0.070 nan 8.210 nan 0.000 0.444 432 L N 7.111 128.399 121.223 0.108 0.000 2.276 432 L HA 0.509 4.852 4.340 0.005 0.000 0.286 432 L C -0.464 176.425 176.870 0.032 0.000 1.024 432 L CA -0.761 54.129 54.840 0.082 0.000 0.826 432 L CB 0.111 42.226 42.059 0.095 0.000 1.211 432 L HN 0.028 nan 8.230 nan 0.000 0.422 433 S N 4.374 120.088 115.700 0.023 0.000 2.568 433 S HA 0.695 5.168 4.470 0.005 0.000 0.302 433 S C -1.675 172.995 174.600 0.117 0.000 1.082 433 S CA -0.229 57.992 58.200 0.035 0.000 1.009 433 S CB 1.204 64.399 63.200 -0.007 0.000 1.069 433 S HN 0.364 nan 8.310 nan 0.000 0.500 434 Y N 1.544 121.816 120.300 -0.046 0.000 2.348 434 Y HA 0.302 4.855 4.550 0.005 0.000 0.321 434 Y C -2.037 173.844 175.900 -0.033 0.000 1.163 434 Y CA -1.169 56.906 58.100 -0.041 0.000 1.070 434 Y CB 1.154 39.594 38.460 -0.034 0.000 1.250 434 Y HN 0.551 nan 8.280 nan 0.000 0.425 435 D N 4.786 124.791 120.400 -0.657 0.000 2.443 435 D HA 0.471 5.114 4.640 0.005 0.000 0.221 435 D C 0.734 176.484 176.300 -0.918 0.000 1.097 435 D CA 0.390 54.046 54.000 -0.573 0.000 0.865 435 D CB 1.437 42.066 40.800 -0.286 0.000 1.034 435 D HN 0.720 nan 8.370 nan 0.000 0.511 436 A N 3.584 125.873 122.820 -0.886 0.000 2.076 436 A HA -0.010 4.313 4.320 0.005 0.000 0.220 436 A C 2.018 179.459 177.584 -0.238 0.000 1.160 436 A CA 1.734 53.437 52.037 -0.557 0.000 0.653 436 A CB -0.323 18.587 19.000 -0.151 0.000 0.801 436 A HN 0.608 nan 8.150 nan 0.000 0.455 437 A N 0.934 123.626 122.820 -0.214 0.000 1.872 437 A HA -0.007 4.316 4.320 0.005 0.000 0.214 437 A C 2.087 179.615 177.584 -0.094 0.000 1.187 437 A CA 1.757 53.725 52.037 -0.114 0.000 0.614 437 A CB -0.556 18.387 19.000 -0.096 0.000 0.826 437 A HN 0.708 nan 8.150 nan 0.000 0.442 438 S N -2.307 113.318 115.700 -0.125 0.000 2.548 438 S HA 0.097 4.570 4.470 0.005 0.000 0.215 438 S C 0.489 175.059 174.600 -0.049 0.000 0.976 438 S CA 0.402 58.556 58.200 -0.076 0.000 0.908 438 S CB 0.631 63.786 63.200 -0.075 0.000 0.781 438 S HN 0.105 nan 8.310 nan 0.000 0.519 439 K N 0.072 120.421 120.400 -0.085 0.000 3.341 439 K HA -0.144 4.179 4.320 0.005 0.000 0.305 439 K C -0.271 176.437 176.600 0.180 0.000 1.270 439 K CA 0.993 57.343 56.287 0.106 0.000 0.897 439 K CB -2.381 30.200 32.500 0.136 0.000 1.264 439 K HN 0.411 nan 8.250 nan 0.000 0.468 440 A N 0.391 123.222 122.820 0.018 0.000 2.305 440 A HA 0.757 5.080 4.320 0.005 0.000 0.322 440 A C 0.768 178.412 177.584 0.101 0.000 1.187 440 A CA 0.343 52.405 52.037 0.043 0.000 0.825 440 A CB 1.402 20.387 19.000 -0.025 0.000 1.164 440 A HN 0.343 nan 8.150 nan 0.000 0.498 441 G N 0.117 108.990 108.800 0.121 0.000 3.015 441 G HA2 0.689 4.651 3.960 0.005 0.000 0.281 441 G HA3 0.689 4.651 3.960 0.005 0.000 0.281 441 G C -0.869 174.029 174.900 -0.003 0.000 1.386 441 G CA -0.444 44.734 45.100 0.130 0.000 0.959 441 G HN 1.072 nan 8.290 nan 0.000 0.522 442 S N -0.661 115.025 115.700 -0.023 0.000 2.558 442 S HA 0.142 4.615 4.470 0.005 0.000 0.277 442 S C -1.934 172.638 174.600 -0.047 0.000 1.143 442 S CA 0.047 58.212 58.200 -0.059 0.000 0.865 442 S CB 1.157 64.331 63.200 -0.044 0.000 1.102 442 S HN -0.054 nan 8.310 nan 0.000 0.454 443 L N 4.895 126.083 121.223 -0.059 0.000 2.376 443 L HA 0.382 4.725 4.340 0.005 0.000 0.275 443 L C -1.603 175.285 176.870 0.029 0.000 0.987 443 L CA 0.190 55.032 54.840 0.003 0.000 0.828 443 L CB 0.678 42.740 42.059 0.005 0.000 1.249 443 L HN 0.125 nan 8.230 nan 0.000 0.409 444 A N 5.713 128.590 122.820 0.094 0.000 2.356 444 A HA 0.578 4.901 4.320 0.005 0.000 0.310 444 A C -0.843 176.907 177.584 0.277 0.000 1.075 444 A CA -0.386 51.758 52.037 0.179 0.000 0.746 444 A CB 0.691 19.812 19.000 0.202 0.000 1.221 444 A HN 0.072 nan 8.150 nan 0.000 0.443 445 I N 2.115 122.827 120.570 0.236 0.000 2.498 445 I HA 0.098 4.271 4.170 0.005 0.000 0.290 445 I C -0.631 175.363 176.117 -0.205 0.000 1.032 445 I CA -0.557 60.733 61.300 -0.018 0.000 1.073 445 I CB 1.524 39.325 38.000 -0.332 0.000 1.251 445 I HN 0.034 nan 8.210 nan 0.000 0.426 446 D N 6.472 126.579 120.400 -0.489 0.000 2.467 446 D HA 0.173 4.815 4.640 0.005 0.000 0.220 446 D C 0.307 176.364 176.300 -0.404 0.000 1.103 446 D CA -0.715 52.930 54.000 -0.590 0.000 0.886 446 D CB 0.492 40.623 40.800 -1.113 0.000 1.025 446 D HN -0.055 nan 8.370 nan 0.000 0.514 447 F N 1.704 121.551 119.950 -0.172 0.000 2.416 447 F HA 0.026 4.556 4.527 0.005 0.000 0.296 447 F C 2.347 178.063 175.800 -0.140 0.000 1.099 447 F CA 0.521 58.427 58.000 -0.158 0.000 1.427 447 F CB 0.103 39.003 39.000 -0.167 0.000 1.079 447 F HN 0.474 nan 8.300 nan 0.000 0.536 448 S N -0.858 114.865 115.700 0.039 0.000 2.478 448 S HA 0.139 4.612 4.470 0.005 0.000 0.222 448 S C 1.767 176.339 174.600 -0.045 0.000 1.008 448 S CA 1.084 59.283 58.200 -0.001 0.000 0.928 448 S CB 0.321 63.524 63.200 0.005 0.000 0.781 448 S HN 0.285 nan 8.310 nan 0.000 0.518 449 G N 3.682 112.420 108.800 -0.103 0.000 2.132 449 G HA2 -0.191 3.772 3.960 0.005 0.000 0.228 449 G HA3 -0.191 3.772 3.960 0.005 0.000 0.228 449 G C -0.020 174.818 174.900 -0.102 0.000 1.000 449 G CA 0.372 45.408 45.100 -0.108 0.000 0.693 449 G HN 0.613 nan 8.290 nan 0.000 0.515 450 D N -0.732 119.600 120.400 -0.114 0.000 2.388 450 D HA 0.480 5.123 4.640 0.005 0.000 0.221 450 D C 1.467 177.626 176.300 -0.234 0.000 1.133 450 D CA 0.446 54.391 54.000 -0.092 0.000 0.831 450 D CB -0.270 40.542 40.800 0.021 0.000 0.962 450 D HN 1.602 nan 8.370 nan 0.000 0.502 451 A N 0.194 122.839 122.820 -0.291 0.000 2.887 451 A HA -0.215 4.107 4.320 0.005 0.000 0.257 451 A C -0.398 176.899 177.584 -0.478 0.000 1.372 451 A CA 0.785 52.625 52.037 -0.328 0.000 0.879 451 A CB -2.638 16.245 19.000 -0.195 0.000 1.082 451 A HN 0.622 nan 8.150 nan 0.000 0.703 452 H N -0.117 118.803 119.070 -0.249 0.000 2.609 452 H HA 0.167 4.726 4.556 0.005 0.000 0.344 452 H C 0.048 175.212 175.328 -0.274 0.000 1.040 452 H CA -1.043 54.917 56.048 -0.147 0.000 1.216 452 H CB 1.718 31.444 29.762 -0.059 0.000 1.529 452 H HN 0.021 nan 8.280 nan 0.000 0.519 453 A N 3.427 126.231 122.820 -0.027 0.000 2.520 453 A HA 0.018 4.341 4.320 0.005 0.000 0.245 453 A C 0.912 178.534 177.584 0.063 0.000 1.072 453 A CA -0.189 51.840 52.037 -0.015 0.000 0.761 453 A CB 0.499 19.624 19.000 0.208 0.000 1.004 453 A HN 0.244 nan 8.150 nan 0.000 0.499 454 D N 0.595 121.063 120.400 0.113 0.000 2.380 454 D HA 0.132 4.775 4.640 0.005 0.000 0.212 454 D C -0.464 176.006 176.300 0.283 0.000 1.021 454 D CA 0.943 55.053 54.000 0.182 0.000 0.884 454 D CB 0.367 41.307 40.800 0.233 0.000 1.001 454 D HN 0.503 nan 8.370 nan 0.000 0.506 455 F N 0.917 120.959 119.950 0.153 0.000 2.556 455 F HA 0.554 5.084 4.527 0.005 0.000 0.314 455 F C -1.589 174.257 175.800 0.077 0.000 1.106 455 F CA -0.737 57.344 58.000 0.134 0.000 0.911 455 F CB 1.866 41.050 39.000 0.308 0.000 1.190 455 F HN -0.161 nan 8.300 nan 0.000 0.448 456 A N 7.412 129.937 122.820 -0.492 0.000 2.574 456 A HA 0.601 4.924 4.320 0.005 0.000 0.297 456 A C -2.285 174.970 177.584 -0.548 0.000 1.062 456 A CA -0.233 51.593 52.037 -0.352 0.000 0.686 456 A CB 1.490 20.409 19.000 -0.135 0.000 1.285 456 A HN 0.602 nan 8.150 nan 0.000 0.403 457 I N 1.487 121.831 120.570 -0.377 0.000 2.534 457 I HA 0.362 4.535 4.170 0.005 0.000 0.288 457 I C -1.081 174.905 176.117 -0.219 0.000 1.077 457 I CA -0.430 60.667 61.300 -0.337 0.000 1.051 457 I CB 2.171 39.955 38.000 -0.360 0.000 1.234 457 I HN 0.366 nan 8.210 nan 0.000 0.425 458 N N 6.620 125.208 118.700 -0.187 0.000 2.518 458 N HA 0.639 5.382 4.740 0.005 0.000 0.283 458 N C -0.988 174.414 175.510 -0.181 0.000 1.119 458 N CA -0.177 52.783 53.050 -0.149 0.000 0.983 458 N CB 1.511 39.926 38.487 -0.119 0.000 1.139 458 N HN 0.397 nan 8.380 nan 0.000 0.465 459 L N 1.925 123.055 121.223 -0.154 0.000 2.381 459 L HA 0.439 4.782 4.340 0.005 0.000 0.268 459 L C -0.509 176.310 176.870 -0.084 0.000 0.997 459 L CA -0.366 54.371 54.840 -0.171 0.000 0.818 459 L CB 1.083 43.008 42.059 -0.222 0.000 1.310 459 L HN 0.103 nan 8.230 nan 0.000 0.416 460 I N 2.881 123.401 120.570 -0.083 0.000 2.371 460 I HA 0.318 4.491 4.170 0.005 0.000 0.282 460 I C 0.330 176.470 176.117 0.037 0.000 1.031 460 I CA -0.068 61.217 61.300 -0.025 0.000 1.180 460 I CB 0.598 38.546 38.000 -0.086 0.000 1.336 460 I HN 0.164 nan 8.210 nan 0.000 0.467 461 G N 4.943 113.802 108.800 0.098 0.000 2.406 461 G HA2 -0.087 3.876 3.960 0.005 0.000 0.680 461 G HA3 -0.087 3.876 3.960 0.005 0.000 0.680 461 G C -1.442 173.417 174.900 -0.069 0.000 1.338 461 G CA -0.861 44.284 45.100 0.075 0.000 0.941 461 G HN 0.581 nan 8.290 nan 0.000 0.633 462 Q N 0.911 120.500 119.800 -0.352 0.000 2.230 462 Q HA 0.236 4.579 4.340 0.005 0.000 0.248 462 Q C -0.677 175.232 176.000 -0.151 0.000 0.915 462 Q CA -0.280 55.156 55.803 -0.611 0.000 0.900 462 Q CB 1.049 29.095 28.738 -1.154 0.000 1.229 462 Q HN 0.206 nan 8.270 nan 0.000 0.439 463 A N 3.521 126.226 122.820 -0.191 0.000 2.365 463 A HA 0.392 4.715 4.320 0.005 0.000 0.318 463 A C -0.525 177.007 177.584 -0.087 0.000 1.091 463 A CA -0.508 51.467 52.037 -0.103 0.000 0.763 463 A CB 1.023 19.760 19.000 -0.438 0.000 1.248 463 A HN 0.376 nan 8.150 nan 0.000 0.442 464 T N -0.808 113.730 114.554 -0.027 0.000 2.938 464 T HA 0.409 4.762 4.350 0.005 0.000 0.285 464 T C 0.714 175.346 174.700 -0.114 0.000 1.028 464 T CA -0.479 61.572 62.100 -0.083 0.000 1.005 464 T CB 1.042 69.873 68.868 -0.062 0.000 1.157 464 T HN 0.573 nan 8.240 nan 0.000 0.550 465 Q N -0.053 119.610 119.800 -0.230 0.000 2.226 465 Q HA -0.031 4.312 4.340 0.005 0.000 0.204 465 Q C 2.358 178.285 176.000 -0.121 0.000 0.975 465 Q CA 1.314 56.924 55.803 -0.323 0.000 0.866 465 Q CB -0.445 27.976 28.738 -0.528 0.000 0.915 465 Q HN 0.853 nan 8.270 nan 0.000 0.440 466 A N 1.054 123.834 122.820 -0.067 0.000 2.168 466 A HA -0.125 4.198 4.320 0.005 0.000 0.215 466 A C 1.177 178.786 177.584 0.041 0.000 1.152 466 A CA 1.007 53.037 52.037 -0.012 0.000 0.716 466 A CB 0.082 19.075 19.000 -0.012 0.000 0.794 466 A HN 0.173 nan 8.150 nan 0.000 0.465 467 D N -0.498 119.948 120.400 0.077 0.000 2.350 467 D HA 0.158 4.801 4.640 0.005 0.000 0.213 467 D C 0.133 176.552 176.300 0.199 0.000 1.031 467 D CA 0.397 54.507 54.000 0.183 0.000 0.861 467 D CB 0.255 41.253 40.800 0.331 0.000 0.926 467 D HN 0.422 nan 8.370 nan 0.000 0.520 468 I N 1.538 122.183 120.570 0.126 0.000 2.312 468 I HA 0.118 4.291 4.170 0.005 0.000 0.290 468 I C -0.226 175.946 176.117 0.091 0.000 1.008 468 I CA -0.686 60.694 61.300 0.133 0.000 1.226 468 I CB 2.097 40.182 38.000 0.142 0.000 1.371 468 I HN -0.395 nan 8.210 nan 0.000 0.468 469 V N 7.516 127.491 119.914 0.102 0.000 2.406 469 V HA 0.309 4.431 4.120 0.005 0.000 0.272 469 V C 0.532 176.609 176.094 -0.028 0.000 1.043 469 V CA -0.354 61.978 62.300 0.054 0.000 0.915 469 V CB 1.013 32.893 31.823 0.096 0.000 0.988 469 V HN 0.649 nan 8.190 nan 0.000 0.466 470 V N 0.000 119.843 119.914 -0.118 0.000 2.409 470 V HA 0.000 4.123 4.120 0.005 0.000 0.244 470 V CA 0.000 62.111 62.300 -0.315 0.000 1.235 470 V CB 0.000 31.709 31.823 -0.190 0.000 1.184 470 V HN 0.000 nan 8.190 nan 0.000 0.556