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 1ewv_1_A DATA FIRST_RESID 36 DATA SEQUENCE RSVARMDGDV IIGALFSVHH QPPAEKVPER KcGEIREQYG IQRVEAMFHT DATA SEQUENCE LDKINADPVL LPNITLGSEI RDScWHSSVA LEQSIEFIRX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXKP IAGVIGPGSS SVAIQVQNLL QLFDIPQIAY DATA SEQUENCE SATSIDLSDK TLYKYFLRVV PSDTLQARAM LDIVKRYNWT YVSAVHTEGN DATA SEQUENCE YGESGMDAFK ELAAQEGLCI AHSDKIYSNA GEKSFDRLLR KLRERLPKAR DATA SEQUENCE VVVCFCEGMT VRGLLSAMRR LGVVGEFSLI GSDGWADRDE VIEGYEVEAN DATA SEQUENCE GGITIKLQSP EVRSFDDYFL KLRLDTNTRN PWFPEFWQHR FQcRLPGHLL DATA SEQUENCE ENPNFKKVcT GNESLEENYV QDSKMGFVIN AIYAMAHGLQ NMHHALcPGH DATA SEQUENCE VGLcDAMKPI DGRKLLDFLI KSSFVGVSGE EVWFDEKGDA PGRYDIMNLQ DATA SEQUENCE YTEANRYDYV HVGTWHEGVL NIDDYKI 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 36 R HA 0.000 nan 4.340 nan 0.000 0.208 36 R C 0.000 176.382 176.300 0.137 0.000 0.893 36 R CA 0.000 56.182 56.100 0.137 0.000 0.921 36 R CB 0.000 30.390 30.300 0.150 0.000 0.687 37 S N 1.680 117.488 115.700 0.180 0.000 2.531 37 S HA 0.330 -4.113 4.470 -14.855 0.000 0.279 37 S C -0.412 174.179 174.600 -0.015 0.000 1.305 37 S CA -0.300 57.922 58.200 0.036 0.000 1.058 37 S CB 0.978 64.128 63.200 -0.083 0.000 0.899 37 S HN 0.277 nan 8.310 nan 0.000 0.493 38 V N 2.201 122.046 119.914 -0.116 0.000 2.864 38 V HA 0.741 -4.052 4.120 -14.855 0.000 0.314 38 V C -0.003 175.996 176.094 -0.159 0.000 1.073 38 V CA -1.066 61.200 62.300 -0.057 0.000 0.956 38 V CB 1.919 33.787 31.823 0.074 0.000 1.023 38 V HN 0.894 nan 8.190 nan 0.000 0.435 39 A N 4.282 127.088 122.820 -0.024 0.000 2.280 39 A HA 0.680 -3.914 4.320 -14.855 0.000 0.320 39 A C 0.034 177.804 177.584 0.309 0.000 1.366 39 A CA -0.478 51.650 52.037 0.151 0.000 0.938 39 A CB 0.137 19.291 19.000 0.256 0.000 1.157 39 A HN 0.785 nan 8.150 nan 0.000 0.536 40 R N 1.452 122.098 120.500 0.242 0.000 2.720 40 R HA 0.762 -3.811 4.340 -14.855 0.000 0.272 40 R C -0.863 175.549 176.300 0.187 0.000 0.991 40 R CA -0.573 55.649 56.100 0.204 0.000 1.010 40 R CB 1.946 32.306 30.300 0.101 0.000 1.141 40 R HN 0.809 nan 8.270 nan 0.000 0.494 41 M N 1.500 121.198 119.600 0.163 0.000 2.284 41 M HA 0.213 -4.220 4.480 -14.855 0.000 0.281 41 M C -1.722 174.610 176.300 0.054 0.000 1.083 41 M CA -0.670 54.674 55.300 0.072 0.000 0.965 41 M CB 2.113 34.786 32.600 0.122 0.000 1.717 41 M HN 0.415 nan 8.290 nan 0.000 0.479 42 D N 1.883 122.292 120.400 0.014 0.000 2.344 42 D HA 0.808 -3.465 4.640 -14.855 0.000 0.244 42 D C -0.223 176.081 176.300 0.006 0.000 1.134 42 D CA 0.720 54.726 54.000 0.010 0.000 0.930 42 D CB 1.651 42.449 40.800 -0.002 0.000 1.175 42 D HN 0.852 nan 8.370 nan 0.000 0.437 43 G N 0.487 109.287 108.800 0.000 0.000 2.489 43 G HA2 0.107 -4.846 3.960 -14.855 0.000 0.291 43 G HA3 0.107 -4.846 3.960 -14.855 0.000 0.291 43 G C -0.041 174.848 174.900 -0.017 0.000 1.487 43 G CA -0.508 44.587 45.100 -0.008 0.000 0.795 43 G HN 0.329 nan 8.290 nan 0.000 0.513 44 D N -1.087 119.297 120.400 -0.027 0.000 2.178 44 D HA -0.014 -4.287 4.640 -14.855 0.000 0.202 44 D C 1.194 177.472 176.300 -0.036 0.000 0.974 44 D CA 1.304 55.284 54.000 -0.032 0.000 0.841 44 D CB 0.451 41.225 40.800 -0.043 0.000 0.953 44 D HN 0.166 nan 8.370 nan 0.000 0.478 45 V N 1.578 121.468 119.914 -0.040 0.000 2.715 45 V HA 0.306 -4.487 4.120 -14.855 0.000 0.310 45 V C -0.187 175.885 176.094 -0.036 0.000 1.054 45 V CA -0.786 61.487 62.300 -0.044 0.000 0.928 45 V CB 2.882 34.671 31.823 -0.057 0.000 1.007 45 V HN -0.076 nan 8.190 nan 0.000 0.437 46 I N 4.609 125.152 120.570 -0.046 0.000 2.439 46 I HA 0.489 -4.254 4.170 -14.855 0.000 0.285 46 I C -0.475 175.589 176.117 -0.087 0.000 1.021 46 I CA -0.411 60.858 61.300 -0.052 0.000 1.091 46 I CB 1.567 39.537 38.000 -0.050 0.000 1.242 46 I HN 0.447 nan 8.210 nan 0.000 0.439 47 I N 5.314 125.836 120.570 -0.080 0.000 2.355 47 I HA 0.430 -4.313 4.170 -14.855 0.000 0.288 47 I C 0.827 176.849 176.117 -0.158 0.000 0.999 47 I CA -0.415 60.817 61.300 -0.113 0.000 1.163 47 I CB 1.920 39.882 38.000 -0.064 0.000 1.316 47 I HN 0.607 nan 8.210 nan 0.000 0.454 48 G N 4.452 113.064 108.800 -0.313 0.000 2.476 48 G HA2 0.753 -4.200 3.960 -14.855 0.000 0.286 48 G HA3 0.753 -4.200 3.960 -14.855 0.000 0.286 48 G C -0.770 173.966 174.900 -0.273 0.000 1.177 48 G CA -0.251 44.580 45.100 -0.449 0.000 0.870 48 G HN 0.755 nan 8.290 nan 0.000 0.528 49 A N 0.337 123.084 122.820 -0.123 0.000 2.587 49 A HA 0.745 -3.848 4.320 -14.855 0.000 0.293 49 A C -1.130 176.393 177.584 -0.103 0.000 1.087 49 A CA -0.626 51.310 52.037 -0.170 0.000 0.692 49 A CB 1.317 20.143 19.000 -0.290 0.000 1.291 49 A HN 0.725 nan 8.150 nan 0.000 0.407 50 L N 1.455 122.510 121.223 -0.280 0.000 2.388 50 L HA 0.530 -4.043 4.340 -14.855 0.000 0.267 50 L C -1.585 175.103 176.870 -0.303 0.000 0.995 50 L CA -0.074 54.669 54.840 -0.161 0.000 0.864 50 L CB 0.895 42.932 42.059 -0.036 0.000 1.216 50 L HN 0.613 nan 8.230 nan 0.000 0.430 51 F N 0.392 120.377 119.950 0.059 0.000 2.458 51 F HA 0.340 -4.038 4.527 -14.841 0.000 0.330 51 F C 0.930 176.718 175.800 -0.020 0.000 1.082 51 F CA -0.676 57.346 58.000 0.038 0.000 0.995 51 F CB 2.086 41.061 39.000 -0.042 0.000 1.170 51 F HN 0.244 nan 8.300 nan 0.000 0.478 52 S N 1.561 117.427 115.700 0.276 0.000 2.416 52 S HA 0.319 -4.124 4.470 -14.855 0.000 0.302 52 S C 0.548 175.134 174.600 -0.022 0.000 1.120 52 S CA -0.558 57.739 58.200 0.160 0.000 1.067 52 S CB -0.081 63.345 63.200 0.377 0.000 1.057 52 S HN 0.465 nan 8.310 nan 0.000 0.518 53 V N 5.040 124.760 119.914 -0.323 0.000 3.125 53 V HA 0.187 -4.606 4.120 -14.855 0.000 0.249 53 V C 0.525 176.410 176.094 -0.348 0.000 1.113 53 V CA 0.610 62.584 62.300 -0.544 0.000 1.106 53 V CB -0.905 30.185 31.823 -1.222 0.000 0.768 53 V HN 0.824 nan 8.190 nan 0.000 0.468 54 H N -1.765 117.179 119.070 -0.210 0.000 2.670 54 H HA 0.548 -3.820 4.556 -14.872 0.000 0.361 54 H C -0.399 174.911 175.328 -0.029 0.000 1.169 54 H CA -0.931 55.038 56.048 -0.132 0.000 1.198 54 H CB 1.189 30.908 29.762 -0.071 0.000 1.700 54 H HN 0.219 nan 8.280 nan 0.000 0.542 55 H N 0.437 119.560 119.070 0.089 0.000 2.801 55 H HA -0.062 -4.408 4.556 -14.837 0.000 0.377 55 H C 0.430 175.806 175.328 0.080 0.000 1.304 55 H CA -0.499 55.566 56.048 0.028 0.000 1.451 55 H CB 0.799 30.541 29.762 -0.034 0.000 1.474 55 H HN 0.608 nan 8.280 nan 0.000 0.620 56 Q N 1.802 121.736 119.800 0.223 0.000 2.540 56 Q HA 0.095 -4.478 4.340 -14.855 0.000 0.256 56 Q C -2.542 173.543 176.000 0.142 0.000 1.084 56 Q CA -1.461 54.465 55.803 0.205 0.000 0.956 56 Q CB 0.226 29.085 28.738 0.201 0.000 1.303 56 Q HN 0.260 nan 8.270 nan 0.000 0.509 57 P HA 0.177 nan 4.420 nan 0.000 0.271 57 P C -2.459 174.872 177.300 0.051 0.000 1.216 57 P CA -1.090 62.045 63.100 0.059 0.000 0.771 57 P CB 0.115 31.811 31.700 -0.007 0.000 0.864 58 P HA -0.059 nan 4.420 nan 0.000 0.268 58 P C 0.807 178.113 177.300 0.010 0.000 1.208 58 P CA 0.223 63.332 63.100 0.015 0.000 0.777 58 P CB 0.327 32.031 31.700 0.006 0.000 0.875 59 A N 3.792 126.613 122.820 0.002 0.000 1.870 59 A HA -0.276 -4.869 4.320 -14.855 0.000 0.219 59 A C 1.770 179.348 177.584 -0.009 0.000 1.286 59 A CA 2.306 54.339 52.037 -0.007 0.000 0.682 59 A CB -1.528 17.457 19.000 -0.024 0.000 0.844 59 A HN 0.701 nan 8.150 nan 0.000 0.460 60 E N -0.580 119.612 120.200 -0.013 0.000 2.463 60 E HA -0.154 -4.717 4.350 -14.855 0.000 0.201 60 E C 0.612 177.205 176.600 -0.013 0.000 1.045 60 E CA 1.052 57.444 56.400 -0.014 0.000 0.872 60 E CB -0.204 29.488 29.700 -0.014 0.000 0.797 60 E HN 0.478 nan 8.360 nan 0.000 0.538 61 K N 0.762 121.155 120.400 -0.012 0.000 2.372 61 K HA 0.183 -4.410 4.320 -14.855 0.000 0.200 61 K C 1.661 178.243 176.600 -0.030 0.000 1.022 61 K CA -0.026 56.252 56.287 -0.015 0.000 1.125 61 K CB 0.485 32.980 32.500 -0.008 0.000 0.855 61 K HN 0.019 nan 8.250 nan 0.000 0.524 62 V N 2.006 121.899 119.914 -0.035 0.000 2.913 62 V HA -0.118 -4.911 4.120 -14.855 0.000 0.260 62 V C -0.922 175.128 176.094 -0.074 0.000 1.098 62 V CA 1.381 63.635 62.300 -0.076 0.000 1.121 62 V CB -1.106 30.699 31.823 -0.030 0.000 0.714 62 V HN 0.181 nan 8.190 nan 0.000 0.487 63 P HA -0.102 nan 4.420 nan 0.000 0.217 63 P C 1.541 178.824 177.300 -0.028 0.000 1.154 63 P CA 1.142 64.226 63.100 -0.028 0.000 0.841 63 P CB -0.003 31.688 31.700 -0.015 0.000 0.790 64 E N 0.139 120.325 120.200 -0.024 0.000 2.371 64 E HA -0.017 -4.581 4.350 -14.855 0.000 0.194 64 E C 0.056 176.645 176.600 -0.020 0.000 1.012 64 E CA -0.044 56.346 56.400 -0.016 0.000 0.860 64 E CB -0.420 29.276 29.700 -0.007 0.000 0.811 64 E HN -0.013 nan 8.360 nan 0.000 0.502 65 R N 0.864 121.341 120.500 -0.039 0.000 3.246 65 R HA -0.126 -4.699 4.340 -14.855 0.000 0.260 65 R C -0.801 175.495 176.300 -0.008 0.000 1.034 65 R CA 0.562 56.632 56.100 -0.051 0.000 0.691 65 R CB -2.004 28.265 30.300 -0.052 0.000 1.186 65 R HN 0.160 nan 8.270 nan 0.000 0.416 66 K N 1.248 121.648 120.400 -0.001 0.000 2.273 66 K HA 0.231 -4.362 4.320 -14.855 0.000 0.287 66 K C 0.184 176.803 176.600 0.032 0.000 1.089 66 K CA -0.405 55.895 56.287 0.021 0.000 0.909 66 K CB 0.647 33.154 32.500 0.012 0.000 1.123 66 K HN 0.236 nan 8.250 nan 0.000 0.473 67 c N 3.159 121.803 118.600 0.074 0.000 2.656 67 c HA 0.249 -4.095 4.570 -14.855 0.000 0.391 67 c C 1.610 175.750 174.090 0.083 0.000 1.300 67 c CA -0.635 55.763 56.329 0.115 0.000 2.302 67 c CB 0.310 42.970 42.510 0.249 0.000 2.655 67 c HN 1.021 nan 8.230 nan 0.000 0.656 68 G N 1.008 109.877 108.800 0.115 0.000 2.527 68 G HA2 0.317 -4.636 3.960 -14.855 0.000 0.279 68 G HA3 0.317 -4.636 3.960 -14.855 0.000 0.279 68 G C -0.023 174.911 174.900 0.058 0.000 1.374 68 G CA -0.291 44.868 45.100 0.099 0.000 1.053 68 G HN 0.928 nan 8.290 nan 0.000 0.539 69 E N -1.529 118.705 120.200 0.056 0.000 2.369 69 E HA 0.342 -4.221 4.350 -14.855 0.000 0.255 69 E C -0.218 176.331 176.600 -0.085 0.000 1.172 69 E CA -0.895 55.481 56.400 -0.040 0.000 0.932 69 E CB 0.973 30.656 29.700 -0.029 0.000 1.040 69 E HN 0.224 nan 8.360 nan 0.000 0.454 70 I N 0.721 121.214 120.570 -0.129 0.000 2.836 70 I HA 0.056 -4.687 4.170 -14.855 0.000 0.285 70 I C 0.164 176.182 176.117 -0.165 0.000 1.174 70 I CA 0.370 61.644 61.300 -0.043 0.000 1.405 70 I CB 0.333 38.365 38.000 0.052 0.000 1.385 70 I HN 0.522 nan 8.210 nan 0.000 0.594 71 R N 4.619 125.035 120.500 -0.140 0.000 2.892 71 R HA 0.343 -4.230 4.340 -14.855 0.000 0.265 71 R C 0.166 176.407 176.300 -0.099 0.000 1.025 71 R CA -0.684 55.314 56.100 -0.171 0.000 0.982 71 R CB 1.565 31.716 30.300 -0.249 0.000 1.185 71 R HN 0.716 nan 8.270 nan 0.000 0.484 72 E N 0.538 120.739 120.200 0.003 0.000 2.228 72 E HA -0.062 -4.625 4.350 -14.855 0.000 0.197 72 E C 1.020 177.591 176.600 -0.049 0.000 0.909 72 E CA 0.446 56.823 56.400 -0.040 0.000 0.911 72 E CB 0.511 30.407 29.700 0.327 0.000 0.887 72 E HN 0.441 nan 8.360 nan 0.000 0.481 73 Q N -0.483 119.350 119.800 0.056 0.000 2.061 73 Q HA -0.033 -4.606 4.340 -14.855 0.000 0.195 73 Q C 1.423 177.455 176.000 0.054 0.000 0.967 73 Q CA 1.313 57.148 55.803 0.054 0.000 0.829 73 Q CB -0.079 28.772 28.738 0.189 0.000 0.900 73 Q HN 0.297 nan 8.270 nan 0.000 0.450 74 Y N -0.722 119.538 120.300 -0.067 0.000 2.544 74 Y HA 0.178 -4.192 4.550 -14.866 0.000 0.286 74 Y C 1.634 177.504 175.900 -0.049 0.000 1.141 74 Y CA 0.717 58.816 58.100 -0.002 0.000 1.299 74 Y CB -0.179 38.328 38.460 0.077 0.000 1.030 74 Y HN 0.147 nan 8.280 nan 0.000 0.543 75 G N -0.560 108.238 108.800 -0.003 0.000 2.529 75 G HA2 0.042 -4.911 3.960 -14.855 0.000 0.220 75 G HA3 0.042 -4.911 3.960 -14.855 0.000 0.220 75 G C 1.362 176.115 174.900 -0.246 0.000 1.976 75 G CA 0.116 45.134 45.100 -0.137 0.000 0.789 75 G HN 0.001 nan 8.290 nan 0.000 0.695 76 I N 1.337 121.723 120.570 -0.307 0.000 2.208 76 I HA -0.163 -4.906 4.170 -14.855 0.000 0.245 76 I C 2.808 178.841 176.117 -0.139 0.000 1.097 76 I CA 1.252 62.385 61.300 -0.279 0.000 1.363 76 I CB -1.177 36.360 38.000 -0.771 0.000 1.051 76 I HN 0.369 nan 8.210 nan 0.000 0.413 77 Q N 0.286 119.957 119.800 -0.216 0.000 2.124 77 Q HA -0.168 -4.741 4.340 -14.855 0.000 0.202 77 Q C 2.264 178.049 176.000 -0.359 0.000 0.977 77 Q CA 1.254 56.891 55.803 -0.278 0.000 0.850 77 Q CB -0.110 28.339 28.738 -0.481 0.000 0.901 77 Q HN 0.497 nan 8.270 nan 0.000 0.429 78 R N -0.392 119.789 120.500 -0.532 0.000 2.276 78 R HA -0.021 -4.594 4.340 -14.855 0.000 0.203 78 R C 1.938 177.459 176.300 -1.298 0.000 1.017 78 R CA 0.489 56.003 56.100 -0.977 0.000 1.010 78 R CB 0.293 29.938 30.300 -1.091 0.000 0.900 78 R HN 0.087 nan 8.270 nan 0.000 0.469 79 V N 0.063 119.567 119.914 -0.683 0.000 2.575 79 V HA -0.047 -4.840 4.120 -14.855 0.000 0.242 79 V C 1.805 177.730 176.094 -0.281 0.000 1.045 79 V CA 1.037 63.054 62.300 -0.471 0.000 1.065 79 V CB -0.072 31.692 31.823 -0.099 0.000 0.717 79 V HN 0.099 nan 8.190 nan 0.000 0.467 80 E N 0.732 120.945 120.200 0.022 0.000 2.347 80 E HA 0.032 -4.531 4.350 -14.855 0.000 0.196 80 E C 2.082 178.905 176.600 0.371 0.000 1.008 80 E CA 1.110 57.718 56.400 0.346 0.000 0.852 80 E CB 0.021 30.032 29.700 0.519 0.000 0.783 80 E HN 0.570 nan 8.360 nan 0.000 0.505 81 A N 0.261 123.164 122.820 0.139 0.000 1.997 81 A HA 0.004 -4.589 4.320 -14.855 0.000 0.212 81 A C 2.060 179.634 177.584 -0.018 0.000 1.178 81 A CA 0.678 52.796 52.037 0.135 0.000 0.698 81 A CB -0.146 18.771 19.000 -0.138 0.000 0.842 81 A HN 0.194 nan 8.150 nan 0.000 0.458 82 M N -1.024 118.475 119.600 -0.168 0.000 2.254 82 M HA 0.121 -4.312 4.480 -14.855 0.000 0.265 82 M C 1.501 177.815 176.300 0.023 0.000 1.066 82 M CA 1.501 56.745 55.300 -0.093 0.000 1.123 82 M CB -0.726 31.833 32.600 -0.069 0.000 1.388 82 M HN 0.394 nan 8.290 nan 0.000 0.425 83 F N -1.247 118.734 119.950 0.052 0.000 2.074 83 F HA -0.175 -4.569 4.527 -14.868 0.000 0.293 83 F C 2.591 178.384 175.800 -0.012 0.000 1.116 83 F CA 1.068 59.096 58.000 0.046 0.000 1.212 83 F CB -0.762 38.292 39.000 0.090 0.000 0.998 83 F HN 0.296 nan 8.300 nan 0.000 0.471 84 H N 0.493 119.577 119.070 0.023 0.000 2.292 84 H HA -0.202 -4.557 4.556 -14.852 0.000 0.292 84 H C 1.926 177.167 175.328 -0.145 0.000 1.100 84 H CA 2.499 58.351 56.048 -0.325 0.000 1.238 84 H CB -0.849 28.479 29.762 -0.723 0.000 1.355 84 H HN 0.031 nan 8.280 nan 0.000 0.484 85 T N 0.355 114.745 114.554 -0.273 0.000 3.035 85 T HA -0.035 -4.598 4.350 -14.855 0.000 0.268 85 T C 1.846 176.478 174.700 -0.112 0.000 1.109 85 T CA 0.920 62.836 62.100 -0.307 0.000 1.119 85 T CB -0.139 68.560 68.868 -0.282 0.000 0.900 85 T HN 0.111 nan 8.240 nan 0.000 0.503 86 L N 0.937 122.141 121.223 -0.030 0.000 2.249 86 L HA 0.135 -4.438 4.340 -14.855 0.000 0.207 86 L C 1.990 178.869 176.870 0.016 0.000 1.090 86 L CA 1.330 56.190 54.840 0.033 0.000 0.802 86 L CB -0.331 41.791 42.059 0.106 0.000 0.947 86 L HN 0.078 nan 8.230 nan 0.000 0.453 87 D N -0.525 119.873 120.400 -0.003 0.000 2.144 87 D HA -0.200 -4.474 4.640 -14.855 0.000 0.200 87 D C 2.054 178.336 176.300 -0.029 0.000 0.978 87 D CA 0.954 54.946 54.000 -0.013 0.000 0.833 87 D CB 0.241 41.038 40.800 -0.006 0.000 0.961 87 D HN 0.258 nan 8.370 nan 0.000 0.470 88 K N 0.462 120.816 120.400 -0.076 0.000 2.031 88 K HA -0.009 -4.602 4.320 -14.855 0.000 0.205 88 K C 2.328 178.923 176.600 -0.008 0.000 1.049 88 K CA 0.331 56.582 56.287 -0.060 0.000 0.939 88 K CB 0.015 32.429 32.500 -0.145 0.000 0.717 88 K HN 0.009 nan 8.250 nan 0.000 0.438 89 I N 1.758 122.348 120.570 0.033 0.000 2.118 89 I HA -0.377 -5.120 4.170 -14.855 0.000 0.241 89 I C 1.920 178.030 176.117 -0.011 0.000 1.070 89 I CA 1.301 62.630 61.300 0.048 0.000 1.327 89 I CB -0.420 37.647 38.000 0.111 0.000 1.034 89 I HN 0.300 nan 8.210 nan 0.000 0.405 90 N N 0.842 119.535 118.700 -0.010 0.000 2.223 90 N HA -0.123 -4.296 4.740 -14.855 0.000 0.185 90 N C 1.642 177.136 175.510 -0.027 0.000 1.016 90 N CA 1.549 54.584 53.050 -0.025 0.000 0.863 90 N CB -0.180 38.296 38.487 -0.018 0.000 0.983 90 N HN 0.376 nan 8.380 nan 0.000 0.429 91 A N 0.408 123.217 122.820 -0.019 0.000 2.208 91 A HA -0.027 -4.620 4.320 -14.855 0.000 0.209 91 A C 0.464 178.037 177.584 -0.017 0.000 1.161 91 A CA -0.078 51.950 52.037 -0.015 0.000 0.782 91 A CB -0.209 18.787 19.000 -0.006 0.000 0.816 91 A HN 0.288 nan 8.150 nan 0.000 0.477 92 D N 0.205 120.590 120.400 -0.026 0.000 2.343 92 D HA 0.217 -4.057 4.640 -14.855 0.000 0.255 92 D C -1.298 174.979 176.300 -0.038 0.000 1.187 92 D CA -1.571 52.410 54.000 -0.032 0.000 0.875 92 D CB 1.053 41.823 40.800 -0.049 0.000 1.136 92 D HN 0.050 nan 8.370 nan 0.000 0.469 93 P HA -0.109 nan 4.420 nan 0.000 0.226 93 P C 1.162 178.448 177.300 -0.024 0.000 1.153 93 P CA 0.290 63.377 63.100 -0.021 0.000 0.777 93 P CB 0.325 32.020 31.700 -0.009 0.000 0.794 94 V N -0.445 119.450 119.914 -0.031 0.000 2.379 94 V HA -0.034 -4.827 4.120 -14.855 0.000 0.243 94 V C 1.462 177.520 176.094 -0.059 0.000 1.035 94 V CA 0.615 62.898 62.300 -0.028 0.000 1.035 94 V CB -0.597 31.211 31.823 -0.024 0.000 0.673 94 V HN 0.022 nan 8.190 nan 0.000 0.457 95 L N 1.314 122.471 121.223 -0.109 0.000 2.265 95 L HA 0.425 -4.148 4.340 -14.855 0.000 0.288 95 L C -0.133 176.636 176.870 -0.169 0.000 1.058 95 L CA 0.112 54.843 54.840 -0.181 0.000 0.809 95 L CB 0.281 42.179 42.059 -0.269 0.000 1.179 95 L HN 0.270 nan 8.230 nan 0.000 0.429 96 L N 6.420 127.526 121.223 -0.197 0.000 3.632 96 L HA -0.235 -4.808 4.340 -14.855 0.000 0.510 96 L C -1.612 175.169 176.870 -0.148 0.000 1.299 96 L CA -0.524 54.191 54.840 -0.208 0.000 0.829 96 L CB -1.317 40.628 42.059 -0.190 0.000 1.559 96 L HN 0.569 nan 8.230 nan 0.000 0.857 97 P HA -0.201 nan 4.420 nan 0.000 0.212 97 P C 0.772 178.032 177.300 -0.067 0.000 1.174 97 P CA 1.829 64.890 63.100 -0.065 0.000 0.934 97 P CB 0.066 31.750 31.700 -0.025 0.000 0.791 98 N N -1.264 117.388 118.700 -0.080 0.000 2.453 98 N HA 0.271 -3.902 4.740 -14.855 0.000 0.270 98 N C -0.724 174.731 175.510 -0.091 0.000 1.195 98 N CA -0.006 53.005 53.050 -0.065 0.000 0.902 98 N CB -0.312 38.154 38.487 -0.035 0.000 1.186 98 N HN 0.073 nan 8.380 nan 0.000 0.510 99 I N 0.733 121.231 120.570 -0.119 0.000 2.476 99 I HA 0.169 -4.574 4.170 -14.855 0.000 0.281 99 I C 0.012 176.073 176.117 -0.093 0.000 1.040 99 I CA -0.794 60.432 61.300 -0.124 0.000 1.094 99 I CB 1.555 39.437 38.000 -0.198 0.000 1.219 99 I HN 0.059 nan 8.210 nan 0.000 0.450 100 T N 5.030 119.545 114.554 -0.065 0.000 2.869 100 T HA 0.569 -3.994 4.350 -14.855 0.000 0.295 100 T C -0.334 174.341 174.700 -0.041 0.000 0.987 100 T CA -0.501 61.571 62.100 -0.046 0.000 1.109 100 T CB 1.217 70.066 68.868 -0.033 0.000 0.932 100 T HN 0.345 nan 8.240 nan 0.000 0.518 101 L N 3.015 124.221 121.223 -0.028 0.000 2.307 101 L HA 0.684 -3.889 4.340 -14.855 0.000 0.282 101 L C 0.908 177.783 176.870 0.008 0.000 1.051 101 L CA -0.623 54.207 54.840 -0.016 0.000 0.804 101 L CB 1.298 43.350 42.059 -0.010 0.000 1.197 101 L HN 1.021 nan 8.230 nan 0.000 0.431 102 G N 1.076 109.880 108.800 0.008 0.000 2.600 102 G HA2 0.714 -4.239 3.960 -14.855 0.000 0.303 102 G HA3 0.714 -4.239 3.960 -14.855 0.000 0.303 102 G C -1.188 173.736 174.900 0.040 0.000 1.253 102 G CA -0.311 44.809 45.100 0.033 0.000 0.974 102 G HN 0.595 nan 8.290 nan 0.000 0.483 103 S N -1.280 114.469 115.700 0.082 0.000 2.607 103 S HA 0.670 -3.773 4.470 -14.855 0.000 0.273 103 S C -1.290 173.372 174.600 0.102 0.000 1.148 103 S CA -0.797 57.444 58.200 0.068 0.000 0.833 103 S CB 2.422 65.680 63.200 0.097 0.000 1.130 103 S HN 0.651 nan 8.310 nan 0.000 0.470 104 E N 1.152 121.393 120.200 0.067 0.000 2.437 104 E HA 0.458 -4.106 4.350 -14.855 0.000 0.238 104 E C -1.350 175.374 176.600 0.207 0.000 0.969 104 E CA -0.428 56.061 56.400 0.148 0.000 0.759 104 E CB 0.628 30.415 29.700 0.145 0.000 1.283 104 E HN 0.657 nan 8.360 nan 0.000 0.416 105 I N 4.393 125.095 120.570 0.219 0.000 2.301 105 I HA 0.312 -4.431 4.170 -14.855 0.000 0.292 105 I C 0.432 176.761 176.117 0.354 0.000 1.046 105 I CA -0.155 61.298 61.300 0.254 0.000 1.282 105 I CB 0.622 38.740 38.000 0.197 0.000 1.409 105 I HN 0.303 nan 8.210 nan 0.000 0.484 106 R N 3.437 124.138 120.500 0.335 0.000 2.832 106 R HA 0.379 -4.194 4.340 -14.855 0.000 0.271 106 R C -0.970 175.451 176.300 0.202 0.000 0.996 106 R CA -1.034 55.246 56.100 0.302 0.000 0.977 106 R CB 1.692 32.078 30.300 0.143 0.000 1.168 106 R HN 0.416 nan 8.270 nan 0.000 0.482 107 D N -0.131 120.355 120.400 0.143 0.000 2.264 107 D HA 0.061 -4.212 4.640 -14.855 0.000 0.250 107 D C 0.690 176.964 176.300 -0.044 0.000 1.113 107 D CA 0.102 54.046 54.000 -0.093 0.000 0.871 107 D CB 1.471 42.088 40.800 -0.306 0.000 1.167 107 D HN 0.482 nan 8.370 nan 0.000 0.447 108 S N 1.456 117.136 115.700 -0.033 0.000 2.499 108 S HA -0.015 -4.458 4.470 -14.855 0.000 0.225 108 S C 1.346 175.991 174.600 0.076 0.000 1.050 108 S CA 0.514 58.725 58.200 0.019 0.000 0.928 108 S CB -0.340 62.880 63.200 0.033 0.000 0.803 108 S HN 0.712 nan 8.310 nan 0.000 0.506 109 c N 0.579 119.238 118.600 0.098 0.000 4.326 109 c HA -0.141 -4.484 4.570 -14.855 0.000 0.284 109 c C 0.695 175.004 174.090 0.366 0.000 1.419 109 c CA 0.330 56.775 56.329 0.193 0.000 1.920 109 c CB -3.170 39.427 42.510 0.146 0.000 1.306 109 c HN 0.901 nan 8.230 nan 0.000 0.786 110 W N 0.056 121.413 121.300 0.096 0.000 5.770 110 W HA -0.202 -4.457 4.660 -14.859 0.000 0.389 110 W C -0.081 176.515 176.519 0.128 0.000 1.469 110 W CA 2.018 59.419 57.345 0.094 0.000 0.975 110 W CB -1.340 28.169 29.460 0.082 0.000 2.622 110 W HN 0.862 nan 8.180 nan 0.000 1.500 111 H N -0.228 118.883 119.070 0.068 0.000 3.099 111 H HA 0.217 -4.141 4.556 -14.856 0.000 0.342 111 H C 0.901 176.221 175.328 -0.013 0.000 1.054 111 H CA 0.381 56.456 56.048 0.045 0.000 1.328 111 H CB 1.358 31.182 29.762 0.103 0.000 1.876 111 H HN -0.209 nan 8.280 nan 0.000 0.495 112 S N 2.231 118.086 115.700 0.258 0.000 2.380 112 S HA -0.201 -4.644 4.470 -14.855 0.000 0.229 112 S C 1.939 176.651 174.600 0.187 0.000 1.043 112 S CA 2.043 60.333 58.200 0.149 0.000 1.038 112 S CB 0.100 63.331 63.200 0.051 0.000 0.872 112 S HN 0.629 nan 8.310 nan 0.000 0.456 113 S N 0.871 116.757 115.700 0.310 0.000 2.343 113 S HA -0.087 -4.530 4.470 -14.855 0.000 0.219 113 S C 2.079 176.671 174.600 -0.013 0.000 1.033 113 S CA 1.443 59.674 58.200 0.051 0.000 1.014 113 S CB -0.483 62.658 63.200 -0.098 0.000 0.915 113 S HN 0.395 nan 8.310 nan 0.000 0.435 114 V N 2.057 121.944 119.914 -0.045 0.000 2.469 114 V HA -0.195 -4.988 4.120 -14.855 0.000 0.251 114 V C 2.466 178.551 176.094 -0.016 0.000 1.064 114 V CA 1.628 63.912 62.300 -0.026 0.000 1.066 114 V CB -1.384 30.436 31.823 -0.005 0.000 0.667 114 V HN 0.519 nan 8.190 nan 0.000 0.461 115 A N 0.088 122.913 122.820 0.009 0.000 1.840 115 A HA -0.096 -4.689 4.320 -14.855 0.000 0.214 115 A C 2.144 179.696 177.584 -0.053 0.000 1.198 115 A CA 1.690 53.713 52.037 -0.023 0.000 0.608 115 A CB -0.609 18.381 19.000 -0.017 0.000 0.839 115 A HN 0.423 nan 8.150 nan 0.000 0.443 116 L N 0.242 121.448 121.223 -0.027 0.000 2.127 116 L HA -0.189 -4.762 4.340 -14.855 0.000 0.211 116 L C 2.325 179.154 176.870 -0.068 0.000 1.089 116 L CA 2.492 57.309 54.840 -0.038 0.000 0.757 116 L CB -0.433 41.621 42.059 -0.009 0.000 0.899 116 L HN 0.644 nan 8.230 nan 0.000 0.434 117 E N -1.126 119.037 120.200 -0.062 0.000 2.023 117 E HA -0.283 -4.846 4.350 -14.855 0.000 0.196 117 E C 2.055 178.569 176.600 -0.144 0.000 1.003 117 E CA 1.597 57.951 56.400 -0.078 0.000 0.809 117 E CB -0.087 29.580 29.700 -0.054 0.000 0.755 117 E HN 0.529 nan 8.360 nan 0.000 0.449 118 Q N 0.138 119.833 119.800 -0.175 0.000 2.170 118 Q HA -0.082 -4.655 4.340 -14.855 0.000 0.203 118 Q C 2.361 177.998 176.000 -0.605 0.000 0.976 118 Q CA 1.230 56.838 55.803 -0.325 0.000 0.858 118 Q CB -0.185 28.406 28.738 -0.245 0.000 0.907 118 Q HN 0.198 nan 8.270 nan 0.000 0.433 119 S N 0.809 116.270 115.700 -0.398 0.000 2.399 119 S HA -0.058 -4.501 4.470 -14.855 0.000 0.231 119 S C 1.846 176.277 174.600 -0.281 0.000 1.022 119 S CA 0.528 58.525 58.200 -0.340 0.000 0.983 119 S CB -0.011 63.142 63.200 -0.079 0.000 0.803 119 S HN 0.259 nan 8.310 nan 0.000 0.480 120 I N 1.783 122.221 120.570 -0.219 0.000 2.493 120 I HA -0.040 -4.783 4.170 -14.855 0.000 0.254 120 I C 2.161 178.166 176.117 -0.188 0.000 1.160 120 I CA 1.062 62.266 61.300 -0.159 0.000 1.445 120 I CB -0.965 36.976 38.000 -0.098 0.000 1.086 120 I HN 0.245 nan 8.210 nan 0.000 0.433 121 E N 0.121 120.149 120.200 -0.287 0.000 2.338 121 E HA -0.142 -4.705 4.350 -14.855 0.000 0.197 121 E C 1.944 178.475 176.600 -0.116 0.000 1.007 121 E CA 0.689 56.954 56.400 -0.224 0.000 0.849 121 E CB -0.106 29.429 29.700 -0.276 0.000 0.774 121 E HN 0.354 nan 8.360 nan 0.000 0.506 122 F N 0.290 120.185 119.950 -0.092 0.000 2.407 122 F HA -0.004 -4.392 4.527 -14.858 0.000 0.299 122 F C 2.242 177.944 175.800 -0.164 0.000 1.097 122 F CA 0.421 58.355 58.000 -0.110 0.000 1.422 122 F CB -0.392 38.540 39.000 -0.114 0.000 1.067 122 F HN 0.056 nan 8.300 nan 0.000 0.539 123 I N -3.272 117.257 120.570 -0.068 0.000 4.082 123 I HA 0.246 -4.497 4.170 -14.855 0.000 0.337 123 I C 1.283 177.330 176.117 -0.117 0.000 1.352 123 I CA -0.242 60.933 61.300 -0.208 0.000 1.097 123 I CB 0.051 37.709 38.000 -0.571 0.000 1.048 123 I HN -0.258 nan 8.210 nan 0.000 0.393 155 P HA 0.321 nan 4.420 nan 0.000 0.293 155 P C -0.050 177.217 177.300 -0.055 0.000 1.300 155 P CA -0.673 62.410 63.100 -0.027 0.000 0.792 155 P CB 0.423 32.114 31.700 -0.015 0.000 0.925 156 I N 0.681 121.192 120.570 -0.097 0.000 2.815 156 I HA 0.037 -4.706 4.170 -14.855 0.000 0.291 156 I C 1.167 177.212 176.117 -0.121 0.000 1.209 156 I CA -0.130 61.071 61.300 -0.165 0.000 1.431 156 I CB -0.565 37.226 38.000 -0.347 0.000 1.351 156 I HN 0.444 nan 8.210 nan 0.000 0.585 157 A N 5.035 127.787 122.820 -0.114 0.000 1.862 157 A HA 0.479 -4.115 4.320 -14.855 0.000 0.211 157 A C 1.128 178.669 177.584 -0.072 0.000 1.220 157 A CA 0.960 52.953 52.037 -0.073 0.000 0.616 157 A CB -0.585 18.377 19.000 -0.063 0.000 0.878 157 A HN 0.965 nan 8.150 nan 0.000 0.453 158 G N -1.734 107.003 108.800 -0.104 0.000 2.659 158 G HA2 0.514 -4.440 3.960 -14.855 0.000 0.296 158 G HA3 0.514 -4.440 3.960 -14.855 0.000 0.296 158 G C -1.612 173.200 174.900 -0.147 0.000 1.369 158 G CA -0.296 44.748 45.100 -0.093 0.000 0.937 158 G HN 0.342 nan 8.290 nan 0.000 0.485 159 V N 2.244 122.085 119.914 -0.122 0.000 2.435 159 V HA 0.404 -4.389 4.120 -14.855 0.000 0.290 159 V C -0.357 175.679 176.094 -0.096 0.000 1.030 159 V CA -0.858 61.360 62.300 -0.137 0.000 0.881 159 V CB 1.552 33.326 31.823 -0.082 0.000 0.983 159 V HN 0.552 nan 8.190 nan 0.000 0.445 160 I N 4.770 125.276 120.570 -0.106 0.000 2.297 160 I HA 0.778 -3.965 4.170 -14.855 0.000 0.291 160 I C 0.730 176.797 176.117 -0.084 0.000 1.033 160 I CA 0.506 61.768 61.300 -0.063 0.000 1.253 160 I CB 0.273 38.226 38.000 -0.078 0.000 1.396 160 I HN 0.902 nan 8.210 nan 0.000 0.476 161 G N 8.755 117.540 108.800 -0.024 0.000 2.334 161 G HA2 0.090 -4.863 3.960 -14.855 0.000 0.315 161 G HA3 0.090 -4.863 3.960 -14.855 0.000 0.315 161 G C -3.351 171.479 174.900 -0.117 0.000 1.284 161 G CA -0.702 44.342 45.100 -0.094 0.000 0.985 161 G HN 0.346 nan 8.290 nan 0.000 0.504 162 P HA 0.418 nan 4.420 nan 0.000 0.341 162 P C 1.419 178.577 177.300 -0.238 0.000 1.297 162 P CA 0.761 63.769 63.100 -0.153 0.000 0.761 162 P CB 0.310 31.927 31.700 -0.139 0.000 1.574 163 G N -0.228 108.467 108.800 -0.175 0.000 2.736 163 G HA2 -0.140 -5.093 3.960 -14.855 0.000 0.214 163 G HA3 -0.140 -5.093 3.960 -14.855 0.000 0.214 163 G C 0.839 175.414 174.900 -0.543 0.000 1.327 163 G CA 1.163 46.164 45.100 -0.165 0.000 0.818 163 G HN 0.681 nan 8.290 nan 0.000 0.611 164 S N -0.556 114.412 115.700 -1.221 0.000 2.584 164 S HA 0.266 -4.177 4.470 -14.855 0.000 0.270 164 S C 1.801 176.100 174.600 -0.502 0.000 1.346 164 S CA 0.498 58.040 58.200 -1.097 0.000 1.018 164 S CB 1.178 63.463 63.200 -1.524 0.000 0.899 164 S HN 0.330 nan 8.310 nan 0.000 0.542 165 S N 2.940 118.484 115.700 -0.259 0.000 2.349 165 S HA -0.124 -4.567 4.470 -14.855 0.000 0.216 165 S C 2.166 176.621 174.600 -0.241 0.000 1.033 165 S CA 1.452 59.529 58.200 -0.206 0.000 1.021 165 S CB -1.231 61.884 63.200 -0.141 0.000 0.968 165 S HN 0.846 nan 8.310 nan 0.000 0.426 166 S N 1.012 116.603 115.700 -0.183 0.000 2.390 166 S HA -0.197 -4.641 4.470 -14.855 0.000 0.234 166 S C 1.948 176.407 174.600 -0.236 0.000 1.063 166 S CA 1.832 59.924 58.200 -0.180 0.000 1.108 166 S CB -0.793 62.330 63.200 -0.129 0.000 0.975 166 S HN 0.314 nan 8.310 nan 0.000 0.442 167 V N 2.280 122.010 119.914 -0.305 0.000 2.278 167 V HA -0.273 -5.066 4.120 -14.855 0.000 0.251 167 V C 2.806 178.764 176.094 -0.226 0.000 1.062 167 V CA 2.100 64.235 62.300 -0.275 0.000 1.038 167 V CB -1.618 29.982 31.823 -0.371 0.000 0.646 167 V HN 0.664 nan 8.190 nan 0.000 0.447 168 A N -0.109 122.563 122.820 -0.247 0.000 1.908 168 A HA -0.226 -4.819 4.320 -14.855 0.000 0.218 168 A C 2.121 179.521 177.584 -0.306 0.000 1.181 168 A CA 2.161 54.077 52.037 -0.201 0.000 0.627 168 A CB -0.662 18.250 19.000 -0.147 0.000 0.818 168 A HN 0.429 nan 8.150 nan 0.000 0.445 169 I N -0.251 120.069 120.570 -0.416 0.000 2.236 169 I HA -0.307 -5.050 4.170 -14.855 0.000 0.249 169 I C 2.576 178.486 176.117 -0.345 0.000 1.102 169 I CA 2.183 63.154 61.300 -0.548 0.000 1.365 169 I CB -0.435 37.336 38.000 -0.382 0.000 1.051 169 I HN 0.560 nan 8.210 nan 0.000 0.420 170 Q N -0.121 119.551 119.800 -0.213 0.000 2.096 170 Q HA -0.078 -4.651 4.340 -14.855 0.000 0.197 170 Q C 2.191 178.136 176.000 -0.092 0.000 0.964 170 Q CA 1.566 57.295 55.803 -0.123 0.000 0.838 170 Q CB -0.236 28.448 28.738 -0.090 0.000 0.906 170 Q HN 0.341 nan 8.270 nan 0.000 0.444 171 V N 0.974 120.829 119.914 -0.098 0.000 2.343 171 V HA -0.262 -5.055 4.120 -14.855 0.000 0.247 171 V C 2.373 178.463 176.094 -0.008 0.000 1.051 171 V CA 2.252 64.528 62.300 -0.040 0.000 1.036 171 V CB -0.675 31.128 31.823 -0.034 0.000 0.654 171 V HN 0.581 nan 8.190 nan 0.000 0.451 172 Q N 0.186 119.960 119.800 -0.043 0.000 2.250 172 Q HA -0.081 -4.654 4.340 -14.855 0.000 0.200 172 Q C 2.002 178.001 176.000 -0.002 0.000 0.941 172 Q CA 1.463 57.273 55.803 0.013 0.000 0.872 172 Q CB -0.456 28.319 28.738 0.060 0.000 0.965 172 Q HN 0.706 nan 8.270 nan 0.000 0.480 173 N N -0.466 118.188 118.700 -0.076 0.000 2.242 173 N HA -0.211 -4.384 4.740 -14.855 0.000 0.191 173 N C 1.552 177.081 175.510 0.032 0.000 1.005 173 N CA 1.192 54.232 53.050 -0.016 0.000 0.877 173 N CB 0.031 38.494 38.487 -0.040 0.000 0.983 173 N HN 0.368 nan 8.380 nan 0.000 0.439 174 L N -0.012 121.240 121.223 0.048 0.000 2.316 174 L HA 0.169 -4.404 4.340 -14.855 0.000 0.207 174 L C 1.698 178.684 176.870 0.194 0.000 1.070 174 L CA 0.816 55.726 54.840 0.116 0.000 0.820 174 L CB -0.248 41.876 42.059 0.109 0.000 0.992 174 L HN 0.090 nan 8.230 nan 0.000 0.466 175 L N 0.149 121.452 121.223 0.134 0.000 2.083 175 L HA -0.232 -4.805 4.340 -14.855 0.000 0.209 175 L C 2.612 179.506 176.870 0.038 0.000 1.083 175 L CA 1.780 56.705 54.840 0.141 0.000 0.752 175 L CB -0.650 41.459 42.059 0.084 0.000 0.899 175 L HN 0.529 nan 8.230 nan 0.000 0.433 176 Q N -0.121 119.648 119.800 -0.052 0.000 2.439 176 Q HA -0.150 -4.724 4.340 -14.855 0.000 0.211 176 Q C 1.807 177.632 176.000 -0.291 0.000 0.978 176 Q CA 1.168 56.802 55.803 -0.282 0.000 0.897 176 Q CB -0.277 28.454 28.738 -0.011 0.000 0.956 176 Q HN 0.527 nan 8.270 nan 0.000 0.483 177 L N -0.776 120.338 121.223 -0.181 0.000 2.554 177 L HA 0.139 -4.434 4.340 -14.855 0.000 0.226 177 L C 0.489 176.889 176.870 -0.783 0.000 1.137 177 L CA 0.262 54.856 54.840 -0.411 0.000 0.863 177 L CB 0.191 41.998 42.059 -0.420 0.000 0.985 177 L HN 0.242 nan 8.230 nan 0.000 0.451 178 F N -1.578 118.276 119.950 -0.160 0.000 2.772 178 F HA 0.183 -4.202 4.527 -14.854 0.000 0.316 178 F C 0.375 176.065 175.800 -0.184 0.000 1.114 178 F CA -0.685 57.241 58.000 -0.124 0.000 1.191 178 F CB 0.308 39.264 39.000 -0.073 0.000 1.065 178 F HN -0.024 nan 8.300 nan 0.000 0.534 179 D N 1.276 121.499 120.400 -0.296 0.000 2.870 179 D HA -0.199 -4.472 4.640 -14.855 0.000 0.228 179 D C 0.002 176.144 176.300 -0.264 0.000 1.147 179 D CA 0.628 54.295 54.000 -0.555 0.000 0.757 179 D CB -1.307 39.446 40.800 -0.078 0.000 1.091 179 D HN 0.287 nan 8.370 nan 0.000 0.429 180 I N 1.963 122.421 120.570 -0.186 0.000 2.337 180 I HA 0.159 -4.584 4.170 -14.855 0.000 0.291 180 I C -1.590 174.599 176.117 0.120 0.000 1.046 180 I CA -1.529 59.778 61.300 0.012 0.000 1.324 180 I CB 0.980 38.987 38.000 0.013 0.000 1.409 180 I HN -0.264 nan 8.210 nan 0.000 0.494 181 P HA 0.030 nan 4.420 nan 0.000 0.272 181 P C -1.186 176.146 177.300 0.053 0.000 1.223 181 P CA -0.278 62.938 63.100 0.193 0.000 0.784 181 P CB 1.159 32.921 31.700 0.104 0.000 0.923 182 Q N 1.903 121.700 119.800 -0.005 0.000 2.305 182 Q HA 0.520 -4.053 4.340 -14.855 0.000 0.271 182 Q C -1.569 174.266 176.000 -0.275 0.000 1.046 182 Q CA -0.689 55.059 55.803 -0.092 0.000 0.798 182 Q CB 1.616 30.350 28.738 -0.007 0.000 1.286 182 Q HN 0.406 nan 8.270 nan 0.000 0.435 183 I N 2.965 123.393 120.570 -0.238 0.000 2.382 183 I HA 0.566 -4.177 4.170 -14.855 0.000 0.286 183 I C -0.174 175.806 176.117 -0.228 0.000 1.002 183 I CA -0.689 60.440 61.300 -0.284 0.000 1.135 183 I CB 1.712 39.635 38.000 -0.128 0.000 1.288 183 I HN 0.691 nan 8.210 nan 0.000 0.448 184 A N 5.328 127.909 122.820 -0.398 0.000 2.269 184 A HA 0.640 -3.953 4.320 -14.855 0.000 0.319 184 A C -0.363 177.131 177.584 -0.150 0.000 1.110 184 A CA -0.162 51.694 52.037 -0.302 0.000 0.847 184 A CB 0.557 19.424 19.000 -0.222 0.000 1.161 184 A HN 0.815 nan 8.150 nan 0.000 0.497 185 Y N -2.169 118.098 120.300 -0.056 0.000 2.590 185 Y HA 0.296 -4.066 4.550 -14.854 0.000 0.263 185 Y C 0.959 176.781 175.900 -0.129 0.000 1.069 185 Y CA 0.339 58.402 58.100 -0.063 0.000 1.242 185 Y CB -0.148 38.338 38.460 0.042 0.000 1.357 185 Y HN 0.514 nan 8.280 nan 0.000 0.556 186 S N -0.275 115.124 115.700 -0.502 0.000 2.728 186 S HA 0.602 -3.841 4.470 -14.855 0.000 0.257 186 S C 0.710 175.204 174.600 -0.175 0.000 1.060 186 S CA 0.080 58.146 58.200 -0.223 0.000 1.126 186 S CB 0.011 63.138 63.200 -0.122 0.000 1.099 186 S HN 0.440 nan 8.310 nan 0.000 0.617 187 A N 2.680 125.371 122.820 -0.216 0.000 2.457 187 A HA 0.512 -4.081 4.320 -14.855 0.000 0.298 187 A C 1.166 178.670 177.584 -0.134 0.000 1.288 187 A CA 0.040 51.995 52.037 -0.137 0.000 0.956 187 A CB -0.452 18.538 19.000 -0.018 0.000 1.135 187 A HN 0.481 nan 8.150 nan 0.000 0.535 188 T N 0.209 114.624 114.554 -0.232 0.000 3.107 188 T HA 0.112 -4.451 4.350 -14.855 0.000 0.249 188 T C 1.065 175.599 174.700 -0.277 0.000 1.096 188 T CA 0.496 62.453 62.100 -0.239 0.000 1.012 188 T CB -0.249 68.451 68.868 -0.279 0.000 0.977 188 T HN 0.637 nan 8.240 nan 0.000 0.527 189 S N 0.438 115.933 115.700 -0.342 0.000 2.566 189 S HA 0.204 -4.239 4.470 -14.855 0.000 0.280 189 S C 1.272 175.791 174.600 -0.134 0.000 1.343 189 S CA -0.543 57.491 58.200 -0.276 0.000 1.036 189 S CB 0.004 63.062 63.200 -0.238 0.000 0.866 189 S HN 0.370 nan 8.310 nan 0.000 0.526 190 I N 1.928 122.445 120.570 -0.088 0.000 2.585 190 I HA -0.034 -4.778 4.170 -14.855 0.000 0.254 190 I C 1.754 177.846 176.117 -0.042 0.000 1.129 190 I CA 0.397 61.671 61.300 -0.045 0.000 1.455 190 I CB -0.407 37.575 38.000 -0.029 0.000 1.111 190 I HN 0.633 nan 8.210 nan 0.000 0.433 191 D N 1.603 121.976 120.400 -0.045 0.000 2.254 191 D HA -0.215 -4.488 4.640 -14.855 0.000 0.201 191 D C 2.218 178.509 176.300 -0.015 0.000 0.998 191 D CA 1.402 55.386 54.000 -0.028 0.000 0.885 191 D CB -0.183 40.628 40.800 0.019 0.000 0.915 191 D HN 0.384 nan 8.370 nan 0.000 0.460 192 L N 0.752 121.956 121.223 -0.032 0.000 2.217 192 L HA -0.090 -4.663 4.340 -14.855 0.000 0.211 192 L C 2.411 179.302 176.870 0.035 0.000 1.107 192 L CA 0.433 55.239 54.840 -0.057 0.000 0.783 192 L CB -0.197 41.591 42.059 -0.451 0.000 0.919 192 L HN -0.106 nan 8.230 nan 0.000 0.442 193 S N -0.887 114.829 115.700 0.027 0.000 2.462 193 S HA -0.159 -4.602 4.470 -14.855 0.000 0.243 193 S C 0.681 175.291 174.600 0.018 0.000 1.003 193 S CA 0.740 58.970 58.200 0.050 0.000 0.970 193 S CB -0.459 62.755 63.200 0.025 0.000 0.762 193 S HN 0.368 nan 8.310 nan 0.000 0.510 194 D N 0.826 121.195 120.400 -0.052 0.000 2.316 194 D HA 0.260 -4.013 4.640 -14.855 0.000 0.245 194 D C 0.471 176.696 176.300 -0.126 0.000 1.171 194 D CA -0.092 53.838 54.000 -0.117 0.000 0.856 194 D CB 1.113 41.782 40.800 -0.218 0.000 1.090 194 D HN -0.150 nan 8.370 nan 0.000 0.476 195 K N 1.335 121.703 120.400 -0.053 0.000 2.367 195 K HA 0.025 -4.568 4.320 -14.855 0.000 0.194 195 K C 1.770 178.355 176.600 -0.025 0.000 1.027 195 K CA 0.604 56.891 56.287 0.000 0.000 1.075 195 K CB 0.199 32.713 32.500 0.024 0.000 0.845 195 K HN 0.531 nan 8.250 nan 0.000 0.529 196 T N -0.983 113.525 114.554 -0.076 0.000 2.720 196 T HA -0.152 -4.715 4.350 -14.855 0.000 0.268 196 T C 1.707 176.371 174.700 -0.059 0.000 1.037 196 T CA 1.271 63.335 62.100 -0.060 0.000 1.144 196 T CB -0.262 68.560 68.868 -0.077 0.000 0.864 196 T HN 0.110 nan 8.240 nan 0.000 0.444 197 L N -1.156 119.958 121.223 -0.181 0.000 2.130 197 L HA 0.197 -4.376 4.340 -14.855 0.000 0.200 197 L C 0.777 177.731 176.870 0.140 0.000 1.075 197 L CA 0.433 55.183 54.840 -0.150 0.000 0.768 197 L CB -0.153 41.612 42.059 -0.489 0.000 0.933 197 L HN 0.240 nan 8.230 nan 0.000 0.451 198 Y N 0.402 120.720 120.300 0.029 0.000 2.827 198 Y HA 0.221 -4.141 4.550 -14.854 0.000 0.373 198 Y C 1.349 177.338 175.900 0.148 0.000 1.198 198 Y CA -1.319 56.827 58.100 0.077 0.000 1.589 198 Y CB -0.739 37.709 38.460 -0.020 0.000 1.682 198 Y HN 0.050 nan 8.280 nan 0.000 0.506 199 K N 0.313 120.884 120.400 0.285 0.000 2.063 199 K HA -0.196 -4.789 4.320 -14.855 0.000 0.208 199 K C 0.243 176.919 176.600 0.126 0.000 1.048 199 K CA 1.637 58.021 56.287 0.162 0.000 0.928 199 K CB -0.084 32.484 32.500 0.112 0.000 0.713 199 K HN 0.464 nan 8.250 nan 0.000 0.442 200 Y N -0.288 120.100 120.300 0.147 0.000 2.496 200 Y HA 0.121 -4.242 4.550 -14.856 0.000 0.313 200 Y C -0.237 175.742 175.900 0.131 0.000 1.184 200 Y CA -0.291 57.874 58.100 0.108 0.000 1.275 200 Y CB -0.268 38.245 38.460 0.089 0.000 1.103 200 Y HN -0.006 nan 8.280 nan 0.000 0.513 201 F N 2.359 122.387 119.950 0.130 0.000 2.436 201 F HA 0.663 -3.723 4.527 -14.856 0.000 0.340 201 F C -0.744 175.067 175.800 0.018 0.000 1.113 201 F CA -1.464 56.577 58.000 0.068 0.000 1.022 201 F CB 0.702 39.756 39.000 0.089 0.000 1.128 201 F HN -0.120 nan 8.300 nan 0.000 0.466 202 L N 4.720 125.476 121.223 -0.780 0.000 2.469 202 L HA 0.758 -3.815 4.340 -14.855 0.000 0.256 202 L C -1.628 174.858 176.870 -0.641 0.000 1.006 202 L CA -1.284 53.246 54.840 -0.517 0.000 0.832 202 L CB 2.417 44.261 42.059 -0.359 0.000 1.421 202 L HN 0.741 nan 8.230 nan 0.000 0.410 203 R N 0.357 120.728 120.500 -0.215 0.000 2.740 203 R HA 0.586 -3.987 4.340 -14.855 0.000 0.273 203 R C 0.055 176.464 176.300 0.182 0.000 0.998 203 R CA -0.477 55.571 56.100 -0.087 0.000 0.900 203 R CB 2.084 32.334 30.300 -0.082 0.000 1.223 203 R HN 0.613 nan 8.270 nan 0.000 0.466 204 V N -0.787 119.246 119.914 0.198 0.000 3.623 204 V HA 0.124 -4.669 4.120 -14.855 0.000 0.271 204 V C 0.715 176.826 176.094 0.029 0.000 1.248 204 V CA 0.542 62.975 62.300 0.222 0.000 1.156 204 V CB -0.415 31.618 31.823 0.349 0.000 0.870 204 V HN 0.471 nan 8.190 nan 0.000 0.453 205 V N -2.808 117.027 119.914 -0.132 0.000 2.975 205 V HA 0.826 -3.968 4.120 -14.855 0.000 0.318 205 V C -2.730 173.271 176.094 -0.154 0.000 1.077 205 V CA -2.450 59.659 62.300 -0.319 0.000 1.000 205 V CB 1.529 33.024 31.823 -0.546 0.000 1.066 205 V HN 0.209 nan 8.190 nan 0.000 0.452 206 P HA 0.388 nan 4.420 nan 0.000 0.285 206 P C -0.434 176.871 177.300 0.008 0.000 1.269 206 P CA -0.300 62.768 63.100 -0.052 0.000 0.844 206 P CB 1.336 33.004 31.700 -0.053 0.000 1.094 207 S N -0.025 115.692 115.700 0.028 0.000 2.614 207 S HA 0.145 -4.298 4.470 -14.855 0.000 0.265 207 S C 0.705 175.349 174.600 0.073 0.000 1.303 207 S CA -0.379 57.839 58.200 0.030 0.000 1.000 207 S CB 0.045 63.261 63.200 0.028 0.000 0.935 207 S HN 0.382 nan 8.310 nan 0.000 0.551 208 D N 1.037 121.460 120.400 0.038 0.000 2.348 208 D HA -0.039 -4.312 4.640 -14.855 0.000 0.216 208 D C 1.537 177.885 176.300 0.080 0.000 0.970 208 D CA 0.841 54.902 54.000 0.102 0.000 0.889 208 D CB -0.746 40.142 40.800 0.146 0.000 0.912 208 D HN 0.640 nan 8.370 nan 0.000 0.524 209 T N 1.511 116.097 114.554 0.054 0.000 2.737 209 T HA -0.127 -4.690 4.350 -14.855 0.000 0.269 209 T C 2.075 176.812 174.700 0.062 0.000 1.040 209 T CA 0.711 62.837 62.100 0.043 0.000 1.142 209 T CB -0.023 68.872 68.868 0.045 0.000 0.861 209 T HN 0.207 nan 8.240 nan 0.000 0.456 210 L N 0.422 121.713 121.223 0.113 0.000 2.049 210 L HA -0.006 -4.579 4.340 -14.855 0.000 0.203 210 L C 2.821 179.681 176.870 -0.016 0.000 1.074 210 L CA 1.347 56.268 54.840 0.135 0.000 0.749 210 L CB -0.945 41.271 42.059 0.262 0.000 0.907 210 L HN 0.298 nan 8.230 nan 0.000 0.439 211 Q N 0.322 120.186 119.800 0.108 0.000 2.124 211 Q HA -0.192 -4.766 4.340 -14.855 0.000 0.202 211 Q C 2.192 178.104 176.000 -0.146 0.000 0.977 211 Q CA 1.849 57.546 55.803 -0.177 0.000 0.850 211 Q CB 0.056 28.713 28.738 -0.134 0.000 0.901 211 Q HN 0.496 nan 8.270 nan 0.000 0.429 212 A N 0.406 123.180 122.820 -0.077 0.000 2.014 212 A HA -0.146 -4.739 4.320 -14.855 0.000 0.218 212 A C 1.979 179.514 177.584 -0.081 0.000 1.163 212 A CA 1.204 53.138 52.037 -0.172 0.000 0.652 212 A CB -0.362 18.515 19.000 -0.205 0.000 0.808 212 A HN 0.204 nan 8.150 nan 0.000 0.449 213 R N 0.230 120.667 120.500 -0.105 0.000 2.081 213 R HA -0.035 -4.608 4.340 -14.855 0.000 0.235 213 R C 2.061 178.290 176.300 -0.118 0.000 1.131 213 R CA 1.950 58.012 56.100 -0.064 0.000 0.960 213 R CB -0.693 29.625 30.300 0.030 0.000 0.856 213 R HN 0.419 nan 8.270 nan 0.000 0.436 214 A N -0.575 121.976 122.820 -0.448 0.000 1.943 214 A HA 0.020 -4.573 4.320 -14.855 0.000 0.213 214 A C 2.183 179.643 177.584 -0.207 0.000 1.181 214 A CA 0.969 52.635 52.037 -0.618 0.000 0.653 214 A CB -0.412 17.549 19.000 -1.731 0.000 0.833 214 A HN 0.402 nan 8.150 nan 0.000 0.451 215 M N -0.323 119.199 119.600 -0.130 0.000 2.144 215 M HA -0.173 -4.606 4.480 -14.855 0.000 0.260 215 M C 2.040 178.497 176.300 0.261 0.000 1.067 215 M CA 2.012 57.339 55.300 0.045 0.000 1.095 215 M CB -0.235 32.358 32.600 -0.013 0.000 1.365 215 M HN 0.531 nan 8.290 nan 0.000 0.406 216 L N -0.391 121.020 121.223 0.312 0.000 2.141 216 L HA -0.189 -4.763 4.340 -14.855 0.000 0.209 216 L C 1.348 178.277 176.870 0.098 0.000 1.094 216 L CA 1.639 56.587 54.840 0.180 0.000 0.763 216 L CB -0.469 41.479 42.059 -0.185 0.000 0.908 216 L HN 0.213 nan 8.230 nan 0.000 0.437 217 D N 0.206 120.661 120.400 0.091 0.000 2.224 217 D HA -0.083 -4.356 4.640 -14.855 0.000 0.205 217 D C 2.234 178.576 176.300 0.071 0.000 0.965 217 D CA 1.277 55.347 54.000 0.116 0.000 0.852 217 D CB -0.034 40.934 40.800 0.280 0.000 0.947 217 D HN 0.465 nan 8.370 nan 0.000 0.494 218 I N 0.294 120.910 120.570 0.076 0.000 2.756 218 I HA -0.152 -4.895 4.170 -14.855 0.000 0.262 218 I C 1.975 178.087 176.117 -0.008 0.000 1.225 218 I CA 0.346 61.660 61.300 0.024 0.000 1.472 218 I CB 0.079 38.137 38.000 0.098 0.000 1.094 218 I HN -0.096 nan 8.210 nan 0.000 0.454 219 V N 0.648 120.637 119.914 0.125 0.000 2.379 219 V HA -0.158 -4.951 4.120 -14.855 0.000 0.243 219 V C 2.355 178.486 176.094 0.061 0.000 1.035 219 V CA 1.385 63.839 62.300 0.257 0.000 1.035 219 V CB -0.490 31.541 31.823 0.348 0.000 0.673 219 V HN 0.278 nan 8.190 nan 0.000 0.457 220 K N 0.162 120.571 120.400 0.015 0.000 2.113 220 K HA -0.273 -4.866 4.320 -14.855 0.000 0.208 220 K C 2.263 178.763 176.600 -0.167 0.000 1.047 220 K CA 1.707 57.972 56.287 -0.035 0.000 0.928 220 K CB -0.247 32.242 32.500 -0.020 0.000 0.716 220 K HN 0.185 nan 8.250 nan 0.000 0.446 221 R N 0.545 120.864 120.500 -0.301 0.000 2.133 221 R HA -0.196 -4.770 4.340 -14.855 0.000 0.245 221 R C 0.972 176.893 176.300 -0.632 0.000 1.137 221 R CA 1.938 57.717 56.100 -0.535 0.000 0.947 221 R CB -0.725 29.065 30.300 -0.851 0.000 0.865 221 R HN 0.406 nan 8.270 nan 0.000 0.437 222 Y N 0.079 120.019 120.300 -0.600 0.000 2.583 222 Y HA 0.254 -4.110 4.550 -14.856 0.000 0.294 222 Y C 0.144 175.572 175.900 -0.787 0.000 1.170 222 Y CA -0.507 57.062 58.100 -0.884 0.000 1.265 222 Y CB 0.272 37.709 38.460 -1.705 0.000 1.119 222 Y HN 0.186 nan 8.280 nan 0.000 0.522 223 N N -0.795 117.732 118.700 -0.288 0.000 2.776 223 N HA -0.181 -4.354 4.740 -14.855 0.000 0.250 223 N C -1.387 174.205 175.510 0.136 0.000 1.112 223 N CA 0.657 53.673 53.050 -0.057 0.000 0.733 223 N CB -1.240 37.241 38.487 -0.009 0.000 1.097 223 N HN 0.396 nan 8.380 nan 0.000 0.558 224 W N 0.824 122.207 121.300 0.137 0.000 2.331 224 W HA 0.387 -3.867 4.660 -14.856 0.000 0.306 224 W C 1.254 177.852 176.519 0.132 0.000 1.162 224 W CA -0.183 57.250 57.345 0.147 0.000 1.232 224 W CB 0.191 29.754 29.460 0.173 0.000 1.235 224 W HN 0.061 nan 8.180 nan 0.000 0.479 225 T N -0.262 114.515 114.554 0.371 0.000 3.337 225 T HA 0.175 -4.389 4.350 -14.855 0.000 0.299 225 T C -0.951 173.950 174.700 0.334 0.000 0.998 225 T CA -0.138 62.126 62.100 0.272 0.000 0.948 225 T CB -0.591 68.397 68.868 0.200 0.000 1.170 225 T HN 0.176 nan 8.240 nan 0.000 0.508 226 Y N 2.094 122.477 120.300 0.138 0.000 2.344 226 Y HA 0.540 -3.824 4.550 -14.855 0.000 0.328 226 Y C -1.182 174.761 175.900 0.072 0.000 1.067 226 Y CA -1.307 56.848 58.100 0.092 0.000 1.247 226 Y CB 1.592 40.099 38.460 0.079 0.000 1.113 226 Y HN 0.304 nan 8.280 nan 0.000 0.465 227 V N 0.923 120.815 119.914 -0.036 0.000 2.852 227 V HA 0.617 -4.176 4.120 -14.855 0.000 0.300 227 V C -0.453 175.606 176.094 -0.058 0.000 1.205 227 V CA -0.959 61.337 62.300 -0.007 0.000 0.940 227 V CB 1.295 33.170 31.823 0.087 0.000 1.047 227 V HN 0.538 nan 8.190 nan 0.000 0.429 228 S N 2.050 117.704 115.700 -0.077 0.000 2.632 228 S HA 0.842 -3.601 4.470 -14.855 0.000 0.267 228 S C 0.293 174.825 174.600 -0.114 0.000 1.276 228 S CA 0.086 58.218 58.200 -0.112 0.000 0.998 228 S CB 1.503 64.640 63.200 -0.105 0.000 0.953 228 S HN 1.756 nan 8.310 nan 0.000 0.547 229 A N 1.801 124.533 122.820 -0.146 0.000 2.375 229 A HA 0.633 -3.961 4.320 -14.855 0.000 0.291 229 A C -0.930 176.577 177.584 -0.128 0.000 1.160 229 A CA -0.572 51.387 52.037 -0.130 0.000 0.747 229 A CB 0.614 19.578 19.000 -0.058 0.000 1.170 229 A HN 0.543 nan 8.150 nan 0.000 0.458 230 V N 5.122 124.966 119.914 -0.117 0.000 2.459 230 V HA 0.575 -4.218 4.120 -14.855 0.000 0.295 230 V C -0.188 175.900 176.094 -0.010 0.000 1.029 230 V CA -0.482 61.756 62.300 -0.104 0.000 0.874 230 V CB 1.476 33.215 31.823 -0.140 0.000 0.985 230 V HN 0.990 nan 8.190 nan 0.000 0.438 231 H N 0.898 119.894 119.070 -0.123 0.000 2.771 231 H HA 0.438 -3.919 4.556 -14.856 0.000 0.361 231 H C -0.787 174.451 175.328 -0.151 0.000 1.108 231 H CA -0.722 55.269 56.048 -0.094 0.000 1.201 231 H CB 1.757 31.506 29.762 -0.022 0.000 1.681 231 H HN 0.487 nan 8.280 nan 0.000 0.534 232 T N 3.609 118.096 114.554 -0.113 0.000 2.829 232 T HA -0.020 -4.583 4.350 -14.855 0.000 0.293 232 T C 0.522 175.096 174.700 -0.210 0.000 0.970 232 T CA 0.021 61.981 62.100 -0.233 0.000 1.168 232 T CB 0.396 69.106 68.868 -0.264 0.000 0.911 232 T HN 0.465 nan 8.240 nan 0.000 0.535 233 E N 1.494 121.432 120.200 -0.436 0.000 2.415 233 E HA 0.392 -4.171 4.350 -14.855 0.000 0.262 233 E C 0.753 177.150 176.600 -0.338 0.000 1.038 233 E CA 0.496 56.602 56.400 -0.490 0.000 0.921 233 E CB 0.631 29.745 29.700 -0.977 0.000 0.950 233 E HN 0.935 nan 8.360 nan 0.000 0.438 234 G N 2.230 110.929 108.800 -0.170 0.000 2.340 234 G HA2 -0.190 -5.143 3.960 -14.855 0.000 0.282 234 G HA3 -0.190 -5.144 3.960 -14.855 0.000 0.282 234 G C 0.052 174.962 174.900 0.017 0.000 1.312 234 G CA -0.211 44.845 45.100 -0.074 0.000 0.942 234 G HN 0.523 nan 8.290 nan 0.000 0.495 235 N N -0.945 117.769 118.700 0.023 0.000 2.373 235 N HA 0.025 -4.148 4.740 -14.855 0.000 0.181 235 N C 1.483 177.042 175.510 0.083 0.000 1.082 235 N CA 0.998 54.066 53.050 0.029 0.000 0.885 235 N CB 0.246 38.721 38.487 -0.021 0.000 0.977 235 N HN 0.637 nan 8.380 nan 0.000 0.462 236 Y N 0.128 120.403 120.300 -0.041 0.000 2.243 236 Y HA 0.084 -4.280 4.550 -14.856 0.000 0.293 236 Y C 2.185 178.097 175.900 0.020 0.000 1.124 236 Y CA 1.309 59.392 58.100 -0.029 0.000 1.159 236 Y CB -0.232 38.205 38.460 -0.037 0.000 1.008 236 Y HN -0.001 nan 8.280 nan 0.000 0.527 237 G N -0.429 108.646 108.800 0.459 0.000 2.430 237 G HA2 -0.185 -5.138 3.960 -14.855 0.000 0.216 237 G HA3 -0.185 -5.138 3.960 -14.855 0.000 0.216 237 G C 1.262 176.179 174.900 0.029 0.000 1.146 237 G CA 0.720 46.045 45.100 0.375 0.000 0.793 237 G HN 0.378 nan 8.290 nan 0.000 0.537 238 E N 0.539 120.753 120.200 0.023 0.000 2.047 238 E HA -0.085 -4.648 4.350 -14.855 0.000 0.191 238 E C 2.785 179.339 176.600 -0.078 0.000 0.987 238 E CA 1.229 57.559 56.400 -0.118 0.000 0.799 238 E CB -0.144 29.552 29.700 -0.007 0.000 0.752 238 E HN 0.359 nan 8.360 nan 0.000 0.449 239 S N -0.701 115.003 115.700 0.005 0.000 2.355 239 S HA -0.081 -4.524 4.470 -14.855 0.000 0.222 239 S C 2.171 176.783 174.600 0.019 0.000 1.031 239 S CA 1.505 59.703 58.200 -0.004 0.000 0.993 239 S CB -0.668 62.522 63.200 -0.016 0.000 0.859 239 S HN 0.345 nan 8.310 nan 0.000 0.453 240 G N 1.222 110.111 108.800 0.148 0.000 2.421 240 G HA2 -0.175 -5.128 3.960 -14.855 0.000 0.216 240 G HA3 -0.175 -5.128 3.960 -14.855 0.000 0.216 240 G C 1.460 176.272 174.900 -0.147 0.000 1.171 240 G CA 1.288 46.530 45.100 0.237 0.000 0.775 240 G HN 0.545 nan 8.290 nan 0.000 0.543 241 M N 0.974 120.528 119.600 -0.076 0.000 2.132 241 M HA 0.086 -4.347 4.480 -14.855 0.000 0.263 241 M C 1.789 178.019 176.300 -0.117 0.000 1.065 241 M CA 1.540 56.729 55.300 -0.185 0.000 1.122 241 M CB -0.564 31.859 32.600 -0.294 0.000 1.365 241 M HN 0.115 nan 8.290 nan 0.000 0.411 242 D N 0.110 120.433 120.400 -0.128 0.000 2.190 242 D HA -0.128 -4.401 4.640 -14.855 0.000 0.200 242 D C 1.896 178.152 176.300 -0.073 0.000 0.992 242 D CA 1.754 55.700 54.000 -0.090 0.000 0.854 242 D CB -0.140 40.613 40.800 -0.079 0.000 0.936 242 D HN 0.520 nan 8.370 nan 0.000 0.462 243 A N -0.128 122.646 122.820 -0.077 0.000 1.855 243 A HA -0.131 -4.724 4.320 -14.855 0.000 0.215 243 A C 2.037 179.563 177.584 -0.097 0.000 1.191 243 A CA 0.853 52.842 52.037 -0.080 0.000 0.613 243 A CB -1.114 17.840 19.000 -0.077 0.000 0.829 243 A HN 0.318 nan 8.150 nan 0.000 0.442 244 F N 0.707 120.498 119.950 -0.264 0.000 2.307 244 F HA -0.160 -4.545 4.527 -14.854 0.000 0.301 244 F C 2.024 177.723 175.800 -0.168 0.000 1.076 244 F CA 1.909 59.755 58.000 -0.256 0.000 1.383 244 F CB 0.061 38.835 39.000 -0.376 0.000 1.055 244 F HN 0.147 nan 8.300 nan 0.000 0.526 245 K N -0.403 119.956 120.400 -0.067 0.000 2.262 245 K HA -0.045 -4.638 4.320 -14.855 0.000 0.200 245 K C 1.886 178.406 176.600 -0.133 0.000 1.049 245 K CA 0.970 57.201 56.287 -0.093 0.000 0.979 245 K CB -0.031 32.446 32.500 -0.039 0.000 0.773 245 K HN 0.356 nan 8.250 nan 0.000 0.474 246 E N 1.097 121.224 120.200 -0.123 0.000 2.033 246 E HA -0.061 -4.624 4.350 -14.855 0.000 0.189 246 E C 2.073 178.591 176.600 -0.136 0.000 0.979 246 E CA 0.515 56.852 56.400 -0.105 0.000 0.802 246 E CB 0.034 29.687 29.700 -0.078 0.000 0.763 246 E HN 0.122 nan 8.360 nan 0.000 0.449 247 L N 0.966 122.084 121.223 -0.175 0.000 1.963 247 L HA -0.307 -4.880 4.340 -14.855 0.000 0.220 247 L C 2.703 179.441 176.870 -0.220 0.000 1.076 247 L CA 1.501 56.227 54.840 -0.190 0.000 0.772 247 L CB -0.755 41.161 42.059 -0.238 0.000 0.892 247 L HN 0.184 nan 8.230 nan 0.000 0.435 248 A N -0.117 122.495 122.820 -0.348 0.000 1.927 248 A HA -0.277 -4.870 4.320 -14.855 0.000 0.220 248 A C 2.438 179.927 177.584 -0.159 0.000 1.185 248 A CA 2.196 54.055 52.037 -0.297 0.000 0.639 248 A CB -0.875 17.887 19.000 -0.396 0.000 0.820 248 A HN 0.508 nan 8.150 nan 0.000 0.451 249 A N -1.790 120.948 122.820 -0.137 0.000 2.125 249 A HA -0.111 -4.704 4.320 -14.855 0.000 0.219 249 A C 2.047 179.593 177.584 -0.064 0.000 1.156 249 A CA 1.912 53.899 52.037 -0.083 0.000 0.671 249 A CB -0.343 18.614 19.000 -0.072 0.000 0.794 249 A HN 0.563 nan 8.150 nan 0.000 0.459 250 Q N -0.085 119.671 119.800 -0.074 0.000 2.062 250 Q HA -0.047 -4.621 4.340 -14.855 0.000 0.196 250 Q C 1.597 177.571 176.000 -0.044 0.000 0.967 250 Q CA 1.380 57.151 55.803 -0.052 0.000 0.832 250 Q CB -0.045 28.661 28.738 -0.054 0.000 0.899 250 Q HN 0.657 nan 8.270 nan 0.000 0.442 251 E N -0.563 119.603 120.200 -0.058 0.000 2.516 251 E HA 0.022 -4.541 4.350 -14.855 0.000 0.199 251 E C 0.589 177.173 176.600 -0.026 0.000 1.069 251 E CA 0.761 57.136 56.400 -0.041 0.000 0.876 251 E CB -0.120 29.547 29.700 -0.055 0.000 0.843 251 E HN 0.484 nan 8.360 nan 0.000 0.530 252 G N 2.062 110.844 108.800 -0.029 0.000 2.198 252 G HA2 -0.292 -5.245 3.960 -14.855 0.000 0.260 252 G HA3 -0.292 -5.245 3.960 -14.855 0.000 0.260 252 G C -0.002 174.898 174.900 0.001 0.000 1.025 252 G CA 0.343 45.436 45.100 -0.011 0.000 0.769 252 G HN 0.287 nan 8.290 nan 0.000 0.507 253 L N 1.292 122.500 121.223 -0.024 0.000 2.456 253 L HA 0.547 -4.026 4.340 -14.855 0.000 0.277 253 L C 1.059 177.928 176.870 -0.001 0.000 1.124 253 L CA -0.852 53.983 54.840 -0.009 0.000 0.880 253 L CB 0.045 42.062 42.059 -0.069 0.000 1.192 253 L HN 0.425 nan 8.230 nan 0.000 0.463 254 C N 6.830 126.162 119.300 0.054 0.000 2.601 254 C HA 0.455 -3.998 4.460 -14.855 0.000 0.409 254 C C 0.163 175.134 174.990 -0.032 0.000 1.293 254 C CA -0.787 58.259 59.018 0.046 0.000 2.101 254 C CB -0.675 27.158 27.740 0.155 0.000 2.639 254 C HN 0.678 nan 8.230 nan 0.000 0.592 255 I N 5.290 125.789 120.570 -0.119 0.000 2.509 255 I HA 0.414 -4.329 4.170 -14.855 0.000 0.293 255 I C 0.956 176.851 176.117 -0.370 0.000 1.020 255 I CA -0.383 60.794 61.300 -0.204 0.000 1.088 255 I CB 0.999 38.946 38.000 -0.088 0.000 1.267 255 I HN 0.911 nan 8.210 nan 0.000 0.430 256 A N 5.767 128.261 122.820 -0.543 0.000 3.559 256 A HA 0.011 -4.582 4.320 -14.855 0.000 0.145 256 A C 0.245 177.740 177.584 -0.148 0.000 1.506 256 A CA 0.530 52.274 52.037 -0.489 0.000 1.065 256 A CB -0.588 18.155 19.000 -0.429 0.000 1.485 256 A HN 0.793 nan 8.150 nan 0.000 0.698 257 H N -0.143 118.848 119.070 -0.131 0.000 2.652 257 H HA 0.546 -3.812 4.556 -14.855 0.000 0.349 257 H C -0.300 174.988 175.328 -0.067 0.000 1.099 257 H CA 0.622 56.627 56.048 -0.072 0.000 1.417 257 H CB 0.686 30.422 29.762 -0.044 0.000 1.457 257 H HN 0.425 nan 8.280 nan 0.000 0.568 258 S N 3.252 118.531 115.700 -0.701 0.000 2.521 258 S HA 0.479 -3.965 4.470 -14.855 0.000 0.295 258 S C -1.615 172.627 174.600 -0.596 0.000 1.098 258 S CA -0.640 57.225 58.200 -0.558 0.000 0.999 258 S CB 0.974 64.050 63.200 -0.206 0.000 1.034 258 S HN 0.876 nan 8.310 nan 0.000 0.483 259 D N 1.232 121.393 120.400 -0.397 0.000 2.653 259 D HA 0.458 -3.815 4.640 -14.855 0.000 0.258 259 D C -1.599 174.573 176.300 -0.212 0.000 1.252 259 D CA -0.473 53.394 54.000 -0.222 0.000 0.777 259 D CB 1.304 42.028 40.800 -0.126 0.000 1.339 259 D HN 0.669 nan 8.370 nan 0.000 0.422 260 K N 0.976 121.209 120.400 -0.278 0.000 2.433 260 K HA 0.858 -3.735 4.320 -14.855 0.000 0.252 260 K C -1.180 175.192 176.600 -0.380 0.000 1.015 260 K CA -0.950 55.032 56.287 -0.509 0.000 0.860 260 K CB 2.360 34.291 32.500 -0.949 0.000 1.359 260 K HN 0.481 nan 8.250 nan 0.000 0.452 261 I N -0.100 120.216 120.570 -0.423 0.000 3.181 261 I HA 0.371 -4.372 4.170 -14.855 0.000 0.311 261 I C -1.665 174.263 176.117 -0.315 0.000 1.287 261 I CA -1.161 59.944 61.300 -0.324 0.000 0.958 261 I CB 2.059 39.816 38.000 -0.405 0.000 1.294 261 I HN 0.718 nan 8.210 nan 0.000 0.467 262 Y N 2.449 122.595 120.300 -0.256 0.000 2.313 262 Y HA 0.156 -4.208 4.550 -14.857 0.000 0.332 262 Y C 1.505 177.296 175.900 -0.181 0.000 1.071 262 Y CA 0.615 58.605 58.100 -0.183 0.000 1.169 262 Y CB 1.890 40.267 38.460 -0.139 0.000 1.192 262 Y HN 0.577 nan 8.280 nan 0.000 0.487 263 S N 2.198 117.896 115.700 -0.003 0.000 2.440 263 S HA -0.183 -4.626 4.470 -14.855 0.000 0.240 263 S C 0.629 175.217 174.600 -0.020 0.000 1.014 263 S CA 1.596 59.761 58.200 -0.059 0.000 0.980 263 S CB -0.436 62.690 63.200 -0.125 0.000 0.775 263 S HN 0.785 nan 8.310 nan 0.000 0.499 264 N N 1.157 119.871 118.700 0.024 0.000 2.914 264 N HA 0.462 -3.711 4.740 -14.855 0.000 0.304 264 N C -0.538 174.972 175.510 -0.000 0.000 1.727 264 N CA -0.070 52.983 53.050 0.005 0.000 0.986 264 N CB 0.534 39.020 38.487 -0.002 0.000 1.297 264 N HN 0.254 nan 8.380 nan 0.000 0.490 265 A N -0.081 122.738 122.820 -0.001 0.000 2.271 265 A HA 0.749 -3.844 4.320 -14.855 0.000 0.288 265 A C 0.839 178.427 177.584 0.007 0.000 1.094 265 A CA -0.353 51.648 52.037 -0.061 0.000 0.828 265 A CB 0.126 18.973 19.000 -0.255 0.000 1.091 265 A HN 0.386 nan 8.150 nan 0.000 0.493 266 G N -0.415 108.372 108.800 -0.021 0.000 2.398 266 G HA2 0.337 -4.616 3.960 -14.855 0.000 0.246 266 G HA3 0.337 -4.616 3.960 -14.855 0.000 0.246 266 G C 0.407 175.351 174.900 0.074 0.000 1.289 266 G CA -0.136 44.971 45.100 0.013 0.000 0.869 266 G HN 0.847 nan 8.290 nan 0.000 0.543 267 E N 0.958 121.215 120.200 0.095 0.000 2.284 267 E HA -0.164 -4.727 4.350 -14.855 0.000 0.200 267 E C 1.916 178.588 176.600 0.121 0.000 1.008 267 E CA 0.735 57.218 56.400 0.138 0.000 0.829 267 E CB 0.158 29.899 29.700 0.069 0.000 0.744 267 E HN 0.332 nan 8.360 nan 0.000 0.491 268 K N -0.071 120.366 120.400 0.062 0.000 2.217 268 K HA 0.012 -4.581 4.320 -14.855 0.000 0.202 268 K C 2.061 178.674 176.600 0.022 0.000 1.051 268 K CA 0.598 56.907 56.287 0.037 0.000 0.952 268 K CB 0.101 32.608 32.500 0.011 0.000 0.736 268 K HN -0.014 nan 8.250 nan 0.000 0.453 269 S N 0.329 116.025 115.700 -0.007 0.000 2.436 269 S HA 0.041 -4.402 4.470 -14.855 0.000 0.228 269 S C 1.764 176.293 174.600 -0.119 0.000 1.014 269 S CA 0.360 58.511 58.200 -0.081 0.000 0.950 269 S CB -0.206 62.908 63.200 -0.144 0.000 0.784 269 S HN 0.183 nan 8.310 nan 0.000 0.504 270 F N 2.709 122.634 119.950 -0.040 0.000 2.084 270 F HA -0.142 -4.528 4.527 -14.855 0.000 0.296 270 F C 2.252 178.031 175.800 -0.034 0.000 1.111 270 F CA 1.278 59.248 58.000 -0.050 0.000 1.224 270 F CB -0.212 38.752 39.000 -0.060 0.000 0.991 270 F HN 0.117 nan 8.300 nan 0.000 0.471 271 D N -0.156 120.357 120.400 0.189 0.000 2.133 271 D HA -0.255 -4.528 4.640 -14.855 0.000 0.195 271 D C 2.156 178.494 176.300 0.063 0.000 0.997 271 D CA 1.308 55.374 54.000 0.109 0.000 0.840 271 D CB -0.631 40.213 40.800 0.073 0.000 0.947 271 D HN 0.239 nan 8.370 nan 0.000 0.452 272 R N 0.335 120.852 120.500 0.028 0.000 2.117 272 R HA -0.174 -4.747 4.340 -14.855 0.000 0.243 272 R C 2.308 178.605 176.300 -0.004 0.000 1.143 272 R CA 0.887 56.986 56.100 -0.002 0.000 0.968 272 R CB -0.384 29.900 30.300 -0.026 0.000 0.863 272 R HN 0.130 nan 8.270 nan 0.000 0.444 273 L N 0.644 121.863 121.223 -0.008 0.000 1.989 273 L HA -0.152 -4.725 4.340 -14.855 0.000 0.211 273 L C 1.976 178.867 176.870 0.034 0.000 1.071 273 L CA 1.720 56.557 54.840 -0.005 0.000 0.749 273 L CB -0.863 41.172 42.059 -0.041 0.000 0.890 273 L HN 0.299 nan 8.230 nan 0.000 0.431 274 L N -0.325 120.944 121.223 0.076 0.000 2.141 274 L HA -0.144 -4.717 4.340 -14.855 0.000 0.209 274 L C 2.751 179.677 176.870 0.094 0.000 1.094 274 L CA 1.650 56.549 54.840 0.098 0.000 0.763 274 L CB -0.779 41.364 42.059 0.140 0.000 0.908 274 L HN 0.369 nan 8.230 nan 0.000 0.437 275 R N -0.288 120.243 120.500 0.053 0.000 2.082 275 R HA -0.210 -4.784 4.340 -14.855 0.000 0.234 275 R C 2.262 178.554 176.300 -0.013 0.000 1.136 275 R CA 2.026 58.141 56.100 0.025 0.000 0.935 275 R CB -0.156 30.147 30.300 0.006 0.000 0.842 275 R HN 0.280 nan 8.270 nan 0.000 0.430 276 K N 0.224 120.583 120.400 -0.068 0.000 2.147 276 K HA -0.124 -4.717 4.320 -14.855 0.000 0.205 276 K C 2.076 178.544 176.600 -0.220 0.000 1.049 276 K CA 1.180 57.334 56.287 -0.221 0.000 0.936 276 K CB -0.082 32.224 32.500 -0.324 0.000 0.722 276 K HN 0.265 nan 8.250 nan 0.000 0.446 277 L N 0.193 121.401 121.223 -0.026 0.000 2.217 277 L HA -0.101 -4.674 4.340 -14.855 0.000 0.211 277 L C 2.170 179.141 176.870 0.169 0.000 1.107 277 L CA 1.012 55.892 54.840 0.067 0.000 0.783 277 L CB -0.039 41.992 42.059 -0.048 0.000 0.919 277 L HN 0.132 nan 8.230 nan 0.000 0.442 278 R N -0.678 119.927 120.500 0.174 0.000 2.265 278 R HA 0.010 -4.563 4.340 -14.855 0.000 0.194 278 R C 1.594 177.947 176.300 0.088 0.000 0.931 278 R CA 0.128 56.347 56.100 0.198 0.000 1.032 278 R CB 0.204 30.608 30.300 0.174 0.000 0.980 278 R HN 0.321 nan 8.270 nan 0.000 0.497 279 E N 0.642 120.861 120.200 0.032 0.000 2.418 279 E HA -0.043 -4.606 4.350 -14.855 0.000 0.197 279 E C 0.454 177.060 176.600 0.011 0.000 1.026 279 E CA 0.495 56.895 56.400 0.001 0.000 0.862 279 E CB 0.268 29.942 29.700 -0.043 0.000 0.799 279 E HN -0.008 nan 8.360 nan 0.000 0.518 280 R N 1.064 121.587 120.500 0.038 0.000 2.402 280 R HA 0.405 -4.169 4.340 -14.855 0.000 0.290 280 R C -1.229 175.146 176.300 0.125 0.000 1.321 280 R CA -0.077 56.068 56.100 0.076 0.000 1.283 280 R CB 0.126 30.470 30.300 0.073 0.000 1.111 280 R HN 0.016 nan 8.270 nan 0.000 0.578 281 L N 1.844 123.128 121.223 0.101 0.000 2.765 281 L HA 0.478 -4.095 4.340 -14.855 0.000 0.263 281 L C -1.710 175.195 176.870 0.058 0.000 1.068 281 L CA -1.393 53.505 54.840 0.097 0.000 0.903 281 L CB 2.609 44.714 42.059 0.077 0.000 1.512 281 L HN 0.398 nan 8.230 nan 0.000 0.404 282 P HA 0.236 nan 4.420 nan 0.000 0.243 282 P C 0.244 177.578 177.300 0.056 0.000 1.672 282 P CA -0.085 63.039 63.100 0.040 0.000 1.000 282 P CB 0.399 32.105 31.700 0.009 0.000 1.562 283 K N 0.775 121.225 120.400 0.083 0.000 2.007 283 K HA 0.086 -4.507 4.320 -14.855 0.000 0.206 283 K C 1.143 177.890 176.600 0.244 0.000 1.047 283 K CA 0.999 57.335 56.287 0.082 0.000 0.937 283 K CB -0.241 32.258 32.500 -0.001 0.000 0.718 283 K HN 0.117 nan 8.250 nan 0.000 0.438 284 A N 2.080 125.095 122.820 0.324 0.000 2.906 284 A HA 0.071 -4.523 4.320 -14.855 0.000 0.289 284 A C 0.935 178.632 177.584 0.188 0.000 1.675 284 A CA 0.079 52.271 52.037 0.258 0.000 1.372 284 A CB -0.265 18.850 19.000 0.192 0.000 1.091 284 A HN 0.255 nan 8.150 nan 0.000 0.579 285 R N 1.354 121.919 120.500 0.108 0.000 2.189 285 R HA 0.145 -4.428 4.340 -14.855 0.000 0.203 285 R C -0.160 176.161 176.300 0.034 0.000 1.012 285 R CA 0.683 56.835 56.100 0.088 0.000 1.015 285 R CB 0.286 30.579 30.300 -0.013 0.000 0.938 285 R HN 0.468 nan 8.270 nan 0.000 0.472 286 V N 1.704 121.535 119.914 -0.138 0.000 2.472 286 V HA 0.351 -4.442 4.120 -14.855 0.000 0.290 286 V C -0.228 175.792 176.094 -0.124 0.000 1.037 286 V CA -0.698 61.451 62.300 -0.252 0.000 0.908 286 V CB 1.798 33.222 31.823 -0.664 0.000 0.985 286 V HN -0.159 nan 8.190 nan 0.000 0.454 287 V N 4.291 124.142 119.914 -0.105 0.000 2.680 287 V HA 0.468 -4.325 4.120 -14.855 0.000 0.309 287 V C -0.324 175.716 176.094 -0.090 0.000 1.052 287 V CA -0.686 61.547 62.300 -0.113 0.000 0.908 287 V CB 2.300 34.011 31.823 -0.187 0.000 1.001 287 V HN 0.632 nan 8.190 nan 0.000 0.431 288 V N 2.854 122.688 119.914 -0.133 0.000 2.364 288 V HA 0.300 -4.493 4.120 -14.855 0.000 0.272 288 V C -0.023 175.964 176.094 -0.177 0.000 1.036 288 V CA -0.359 61.806 62.300 -0.225 0.000 0.880 288 V CB 1.199 32.718 31.823 -0.506 0.000 0.991 288 V HN 0.977 nan 8.190 nan 0.000 0.460 289 C N 6.792 126.039 119.300 -0.088 0.000 2.409 289 C HA 0.461 -3.992 4.460 -14.855 0.000 0.297 289 C C 0.110 175.142 174.990 0.070 0.000 1.083 289 C CA -0.730 58.265 59.018 -0.038 0.000 1.515 289 C CB -0.812 26.893 27.740 -0.058 0.000 1.869 289 C HN 0.772 nan 8.230 nan 0.000 0.413 290 F N 4.802 124.660 119.950 -0.152 0.000 2.679 290 F HA 0.345 -4.039 4.527 -14.852 0.000 0.351 290 F C 0.597 176.335 175.800 -0.103 0.000 1.279 290 F CA -0.106 57.848 58.000 -0.076 0.000 1.227 290 F CB -0.425 38.546 39.000 -0.048 0.000 1.623 290 F HN 0.563 nan 8.300 nan 0.000 0.666 291 C N 2.118 121.304 119.300 -0.191 0.000 2.802 291 C HA 0.375 -4.078 4.460 -14.855 0.000 0.307 291 C C 0.301 175.053 174.990 -0.396 0.000 1.222 291 C CA -1.426 57.423 59.018 -0.282 0.000 1.580 291 C CB 1.642 29.270 27.740 -0.187 0.000 2.119 291 C HN 0.561 nan 8.230 nan 0.000 0.479 292 E N 0.654 120.599 120.200 -0.424 0.000 2.422 292 E HA 0.203 -4.360 4.350 -14.855 0.000 0.260 292 E C 1.199 177.589 176.600 -0.349 0.000 1.108 292 E CA 0.541 56.713 56.400 -0.381 0.000 0.943 292 E CB 0.701 30.203 29.700 -0.331 0.000 0.961 292 E HN 0.880 nan 8.360 nan 0.000 0.443 293 G N 2.380 110.958 108.800 -0.370 0.000 2.672 293 G HA2 -0.299 -5.252 3.960 -14.855 0.000 0.218 293 G HA3 -0.299 -5.252 3.960 -14.855 0.000 0.218 293 G C 1.159 175.814 174.900 -0.408 0.000 1.238 293 G CA 0.991 45.874 45.100 -0.362 0.000 0.791 293 G HN 0.360 nan 8.290 nan 0.000 0.606 294 M N 0.646 119.988 119.600 -0.430 0.000 2.319 294 M HA 0.030 -4.403 4.480 -14.855 0.000 0.265 294 M C 2.663 178.773 176.300 -0.318 0.000 1.068 294 M CA 1.043 56.106 55.300 -0.395 0.000 1.118 294 M CB -1.776 30.578 32.600 -0.411 0.000 1.395 294 M HN 0.165 nan 8.290 nan 0.000 0.435 295 T N 0.698 115.098 114.554 -0.258 0.000 2.721 295 T HA -0.127 -4.690 4.350 -14.855 0.000 0.268 295 T C 2.062 176.693 174.700 -0.116 0.000 1.038 295 T CA 1.419 63.455 62.100 -0.106 0.000 1.145 295 T CB -0.268 68.495 68.868 -0.175 0.000 0.858 295 T HN 0.173 nan 8.240 nan 0.000 0.459 296 V N 0.636 120.348 119.914 -0.336 0.000 2.488 296 V HA -0.042 -4.835 4.120 -14.855 0.000 0.246 296 V C 2.608 178.360 176.094 -0.570 0.000 1.046 296 V CA 1.271 63.283 62.300 -0.480 0.000 1.053 296 V CB -0.462 30.895 31.823 -0.777 0.000 0.679 296 V HN 0.344 nan 8.190 nan 0.000 0.458 297 R N 0.233 120.389 120.500 -0.573 0.000 2.082 297 R HA -0.169 -4.742 4.340 -14.855 0.000 0.234 297 R C 2.363 178.207 176.300 -0.760 0.000 1.136 297 R CA 1.931 57.647 56.100 -0.640 0.000 0.935 297 R CB -0.922 29.048 30.300 -0.550 0.000 0.842 297 R HN 0.538 nan 8.270 nan 0.000 0.430 298 G N 1.295 109.613 108.800 -0.802 0.000 2.469 298 G HA2 -0.297 -5.250 3.960 -14.855 0.000 0.220 298 G HA3 -0.297 -5.250 3.960 -14.855 0.000 0.220 298 G C 1.317 174.878 174.900 -2.231 0.000 1.136 298 G CA 0.880 44.975 45.100 -1.674 0.000 0.759 298 G HN 0.333 nan 8.290 nan 0.000 0.562 299 L N 0.356 120.923 121.223 -1.093 0.000 2.093 299 L HA 0.146 -4.427 4.340 -14.855 0.000 0.208 299 L C 2.662 179.325 176.870 -0.344 0.000 1.085 299 L CA 1.220 55.834 54.840 -0.377 0.000 0.755 299 L CB -0.276 41.739 42.059 -0.073 0.000 0.904 299 L HN 0.216 nan 8.230 nan 0.000 0.435 300 L N -1.567 119.408 121.223 -0.414 0.000 2.056 300 L HA -0.156 -4.729 4.340 -14.855 0.000 0.207 300 L C 2.662 179.454 176.870 -0.131 0.000 1.078 300 L CA 1.366 56.063 54.840 -0.237 0.000 0.749 300 L CB -1.057 40.824 42.059 -0.298 0.000 0.901 300 L HN 0.321 nan 8.230 nan 0.000 0.433 301 S N 0.017 115.494 115.700 -0.372 0.000 2.374 301 S HA -0.256 -4.700 4.470 -14.855 0.000 0.227 301 S C 2.079 176.661 174.600 -0.029 0.000 1.037 301 S CA 1.568 59.719 58.200 -0.081 0.000 1.024 301 S CB -0.071 62.895 63.200 -0.390 0.000 0.861 301 S HN 0.469 nan 8.310 nan 0.000 0.456 302 A N 1.310 124.027 122.820 -0.172 0.000 1.872 302 A HA 0.065 -4.528 4.320 -14.855 0.000 0.214 302 A C 2.248 179.845 177.584 0.021 0.000 1.187 302 A CA 1.406 53.422 52.037 -0.035 0.000 0.614 302 A CB -0.679 18.336 19.000 0.025 0.000 0.826 302 A HN 0.586 nan 8.150 nan 0.000 0.442 303 M N -1.177 118.437 119.600 0.022 0.000 2.226 303 M HA -0.290 -4.723 4.480 -14.855 0.000 0.257 303 M C 2.416 178.742 176.300 0.044 0.000 1.070 303 M CA 2.492 57.829 55.300 0.063 0.000 1.087 303 M CB -0.456 32.187 32.600 0.071 0.000 1.278 303 M HN 0.465 nan 8.290 nan 0.000 0.426 304 R N 0.420 120.953 120.500 0.055 0.000 2.096 304 R HA -0.130 -4.703 4.340 -14.855 0.000 0.240 304 R C 2.005 178.300 176.300 -0.008 0.000 1.139 304 R CA 1.925 58.026 56.100 0.003 0.000 0.952 304 R CB -0.558 29.715 30.300 -0.044 0.000 0.854 304 R HN 0.292 nan 8.270 nan 0.000 0.436 305 R N -0.663 119.845 120.500 0.013 0.000 2.096 305 R HA -0.148 -4.721 4.340 -14.855 0.000 0.240 305 R C 1.694 177.997 176.300 0.006 0.000 1.139 305 R CA 1.646 57.750 56.100 0.007 0.000 0.952 305 R CB -0.523 29.789 30.300 0.020 0.000 0.854 305 R HN 0.204 nan 8.270 nan 0.000 0.436 306 L N 0.479 121.712 121.223 0.017 0.000 2.612 306 L HA 0.200 -4.374 4.340 -14.855 0.000 0.230 306 L C 0.585 177.455 176.870 0.001 0.000 1.140 306 L CA 0.821 55.670 54.840 0.014 0.000 0.896 306 L CB -0.159 41.919 42.059 0.032 0.000 1.065 306 L HN 0.387 nan 8.230 nan 0.000 0.447 307 G N 0.304 109.100 108.800 -0.007 0.000 2.379 307 G HA2 -0.232 -5.185 3.960 -14.855 0.000 0.297 307 G HA3 -0.232 -5.185 3.960 -14.855 0.000 0.297 307 G C 0.216 175.103 174.900 -0.022 0.000 1.004 307 G CA 0.722 45.810 45.100 -0.019 0.000 0.921 307 G HN 0.784 nan 8.290 nan 0.000 0.511 308 V N -3.786 116.117 119.914 -0.018 0.000 2.823 308 V HA 0.957 -3.837 4.120 -14.855 0.000 0.312 308 V C 0.119 176.189 176.094 -0.040 0.000 1.072 308 V CA -0.754 61.523 62.300 -0.038 0.000 0.937 308 V CB 2.347 34.140 31.823 -0.051 0.000 1.013 308 V HN 0.712 nan 8.190 nan 0.000 0.430 309 V N 1.642 121.518 119.914 -0.063 0.000 3.203 309 V HA 0.872 -3.921 4.120 -14.855 0.000 0.305 309 V C 1.255 177.298 176.094 -0.086 0.000 1.361 309 V CA -0.045 62.223 62.300 -0.054 0.000 1.066 309 V CB 1.201 33.009 31.823 -0.025 0.000 1.085 309 V HN 1.854 nan 8.190 nan 0.000 0.456 310 G N 0.058 108.825 108.800 -0.055 0.000 2.205 310 G HA2 -0.282 -5.235 3.960 -14.855 0.000 0.269 310 G HA3 -0.282 -5.235 3.960 -14.855 0.000 0.269 310 G C 0.530 175.357 174.900 -0.121 0.000 0.977 310 G CA 1.174 46.242 45.100 -0.054 0.000 0.652 310 G HN 0.848 nan 8.290 nan 0.000 0.539 311 E N -0.992 119.048 120.200 -0.266 0.000 2.028 311 E HA 0.146 -4.417 4.350 -14.855 0.000 0.190 311 E C 0.661 176.975 176.600 -0.478 0.000 0.984 311 E CA 0.902 56.989 56.400 -0.522 0.000 0.800 311 E CB 0.041 29.162 29.700 -0.966 0.000 0.758 311 E HN 0.620 nan 8.360 nan 0.000 0.448 312 F N -0.530 119.410 119.950 -0.015 0.000 2.541 312 F HA 0.410 -3.977 4.527 -14.856 0.000 0.331 312 F C 0.199 175.977 175.800 -0.036 0.000 1.057 312 F CA -1.180 56.799 58.000 -0.035 0.000 0.975 312 F CB 1.493 40.478 39.000 -0.025 0.000 1.246 312 F HN -0.358 nan 8.300 nan 0.000 0.484 313 S N 2.012 117.788 115.700 0.128 0.000 2.474 313 S HA 0.558 -3.885 4.470 -14.855 0.000 0.320 313 S C -0.425 174.198 174.600 0.040 0.000 1.067 313 S CA -0.579 57.649 58.200 0.046 0.000 1.127 313 S CB -0.238 62.903 63.200 -0.099 0.000 0.971 313 S HN 0.445 nan 8.310 nan 0.000 0.472 314 L N 4.289 125.583 121.223 0.117 0.000 2.466 314 L HA 0.523 -4.050 4.340 -14.855 0.000 0.257 314 L C -0.216 176.743 176.870 0.148 0.000 1.189 314 L CA -0.343 54.563 54.840 0.111 0.000 0.813 314 L CB 0.585 42.755 42.059 0.184 0.000 1.118 314 L HN 0.521 nan 8.230 nan 0.000 0.471 315 I N 1.005 121.651 120.570 0.126 0.000 2.540 315 I HA 0.290 -4.453 4.170 -14.855 0.000 0.280 315 I C 0.095 176.304 176.117 0.154 0.000 1.083 315 I CA -0.266 61.122 61.300 0.147 0.000 1.080 315 I CB 1.618 39.686 38.000 0.113 0.000 1.205 315 I HN 0.578 nan 8.210 nan 0.000 0.459 316 G N 3.466 112.426 108.800 0.266 0.000 2.348 316 G HA2 0.492 -4.461 3.960 -14.855 0.000 0.312 316 G HA3 0.492 -4.461 3.960 -14.855 0.000 0.312 316 G C 0.193 175.205 174.900 0.187 0.000 1.126 316 G CA -0.309 44.960 45.100 0.281 0.000 0.865 316 G HN 0.611 nan 8.290 nan 0.000 0.474 317 S N 0.970 116.737 115.700 0.113 0.000 2.606 317 S HA 0.047 -4.396 4.470 -14.855 0.000 0.257 317 S C 1.463 176.063 174.600 -0.000 0.000 1.327 317 S CA 0.436 58.633 58.200 -0.005 0.000 0.984 317 S CB 0.916 63.869 63.200 -0.411 0.000 0.941 317 S HN 0.732 nan 8.310 nan 0.000 0.576 318 D N -0.088 120.280 120.400 -0.054 0.000 2.397 318 D HA -0.112 -4.385 4.640 -14.855 0.000 0.219 318 D C 1.673 178.020 176.300 0.078 0.000 0.975 318 D CA 1.206 55.215 54.000 0.015 0.000 0.940 318 D CB -1.254 39.545 40.800 -0.002 0.000 0.884 318 D HN 0.714 nan 8.370 nan 0.000 0.505 319 G N -0.270 108.546 108.800 0.027 0.000 2.442 319 G HA2 -0.278 -5.231 3.960 -14.855 0.000 0.219 319 G HA3 -0.278 -5.231 3.960 -14.855 0.000 0.219 319 G C 1.172 176.129 174.900 0.095 0.000 1.141 319 G CA 0.652 45.751 45.100 -0.002 0.000 0.763 319 G HN 0.285 nan 8.290 nan 0.000 0.554 320 W N 0.516 121.776 121.300 -0.065 0.000 2.768 320 W HA 0.442 -3.814 4.660 -14.859 0.000 0.302 320 W C 1.950 178.451 176.519 -0.030 0.000 1.080 320 W CA 1.549 58.877 57.345 -0.029 0.000 1.611 320 W CB -0.591 28.876 29.460 0.011 0.000 1.179 320 W HN 0.577 nan 8.180 nan 0.000 0.512 321 A N 1.108 124.029 122.820 0.168 0.000 5.295 321 A HA -0.353 -4.946 4.320 -14.855 0.000 0.313 321 A C 0.631 178.021 177.584 -0.325 0.000 1.912 321 A CA 2.171 54.177 52.037 -0.052 0.000 0.714 321 A CB -2.242 16.746 19.000 -0.019 0.000 1.319 321 A HN 0.627 nan 8.150 nan 0.000 0.375 322 D N 0.387 120.501 120.400 -0.476 0.000 2.772 322 D HA 0.358 -3.915 4.640 -14.855 0.000 0.272 322 D C 0.241 175.981 176.300 -0.934 0.000 1.314 322 D CA -0.260 53.022 54.000 -1.197 0.000 0.835 322 D CB -0.246 40.133 40.800 -0.702 0.000 1.080 322 D HN 0.593 nan 8.370 nan 0.000 0.482 323 R N 0.274 120.519 120.500 -0.426 0.000 2.539 323 R HA 0.190 -4.383 4.340 -14.855 0.000 0.275 323 R C 0.182 176.514 176.300 0.052 0.000 1.077 323 R CA -0.221 55.829 56.100 -0.084 0.000 1.097 323 R CB 0.852 31.228 30.300 0.127 0.000 1.018 323 R HN -0.054 nan 8.270 nan 0.000 0.483 324 D N 1.039 121.502 120.400 0.104 0.000 2.324 324 D HA -0.083 -4.357 4.640 -14.855 0.000 0.212 324 D C 1.062 177.465 176.300 0.172 0.000 0.984 324 D CA 0.739 54.864 54.000 0.208 0.000 0.885 324 D CB 0.181 41.071 40.800 0.150 0.000 0.996 324 D HN 0.612 nan 8.370 nan 0.000 0.505 325 E N 0.933 121.197 120.200 0.106 0.000 2.273 325 E HA -0.154 -4.717 4.350 -14.855 0.000 0.198 325 E C 1.716 178.323 176.600 0.012 0.000 1.002 325 E CA 0.873 57.307 56.400 0.056 0.000 0.828 325 E CB -0.198 29.512 29.700 0.017 0.000 0.747 325 E HN 0.147 nan 8.360 nan 0.000 0.491 326 V N 1.488 121.438 119.914 0.059 0.000 2.302 326 V HA -0.172 -4.965 4.120 -14.855 0.000 0.243 326 V C 2.081 178.171 176.094 -0.007 0.000 1.036 326 V CA 1.696 63.967 62.300 -0.048 0.000 1.020 326 V CB -0.391 31.420 31.823 -0.020 0.000 0.657 326 V HN 0.361 nan 8.190 nan 0.000 0.453 327 I N -1.529 119.177 120.570 0.227 0.000 4.018 327 I HA 0.269 -4.475 4.170 -14.855 0.000 0.337 327 I C 0.914 177.133 176.117 0.171 0.000 1.327 327 I CA -0.473 60.952 61.300 0.207 0.000 1.100 327 I CB -0.605 37.589 38.000 0.323 0.000 1.025 327 I HN 0.163 nan 8.210 nan 0.000 0.396 328 E N 2.819 123.115 120.200 0.160 0.000 2.491 328 E HA 0.235 -4.328 4.350 -14.855 0.000 0.250 328 E C 1.147 177.852 176.600 0.174 0.000 1.061 328 E CA 1.258 57.747 56.400 0.149 0.000 0.942 328 E CB -0.052 29.722 29.700 0.122 0.000 0.957 328 E HN 0.604 nan 8.360 nan 0.000 0.480 329 G N 5.845 114.732 108.800 0.146 0.000 5.005 329 G HA2 -0.367 -5.320 3.960 -14.855 0.000 0.251 329 G HA3 -0.367 -5.320 3.960 -14.855 0.000 0.251 329 G C 0.479 175.436 174.900 0.094 0.000 1.536 329 G CA 0.142 45.313 45.100 0.118 0.000 1.060 329 G HN 0.573 nan 8.290 nan 0.000 0.683 330 Y N 3.510 123.781 120.300 -0.048 0.000 2.663 330 Y HA 0.237 -4.128 4.550 -14.857 0.000 0.342 330 Y C 2.309 178.139 175.900 -0.117 0.000 1.224 330 Y CA 1.326 59.379 58.100 -0.079 0.000 1.268 330 Y CB -0.547 37.855 38.460 -0.096 0.000 1.070 330 Y HN 0.603 nan 8.280 nan 0.000 0.491 331 E N -0.521 119.660 120.200 -0.032 0.000 2.171 331 E HA -0.201 -4.764 4.350 -14.855 0.000 0.197 331 E C 2.096 178.428 176.600 -0.448 0.000 0.997 331 E CA 1.569 57.774 56.400 -0.324 0.000 0.810 331 E CB -0.281 29.163 29.700 -0.428 0.000 0.738 331 E HN 0.337 nan 8.360 nan 0.000 0.467 332 V N 1.814 121.597 119.914 -0.218 0.000 2.527 332 V HA -0.287 -5.080 4.120 -14.855 0.000 0.255 332 V C 1.979 178.001 176.094 -0.120 0.000 1.081 332 V CA 2.203 64.414 62.300 -0.147 0.000 1.092 332 V CB -0.767 31.010 31.823 -0.076 0.000 0.673 332 V HN 0.404 nan 8.190 nan 0.000 0.470 333 E N 1.048 121.200 120.200 -0.080 0.000 2.364 333 E HA 0.221 -4.342 4.350 -14.855 0.000 0.203 333 E C 1.473 178.081 176.600 0.014 0.000 0.888 333 E CA 0.808 57.199 56.400 -0.015 0.000 0.989 333 E CB -0.034 29.684 29.700 0.032 0.000 0.985 333 E HN 0.494 nan 8.360 nan 0.000 0.499 334 A N 1.946 124.775 122.820 0.016 0.000 3.026 334 A HA 0.228 -4.365 4.320 -14.855 0.000 0.272 334 A C -0.334 177.266 177.584 0.028 0.000 1.782 334 A CA -0.100 52.032 52.037 0.158 0.000 1.451 334 A CB -1.076 18.130 19.000 0.343 0.000 1.081 334 A HN 0.054 nan 8.150 nan 0.000 0.611 335 N N -0.623 118.088 118.700 0.018 0.000 2.381 335 N HA 0.572 -3.601 4.740 -14.855 0.000 0.294 335 N C 1.006 176.535 175.510 0.032 0.000 1.216 335 N CA 0.635 53.675 53.050 -0.016 0.000 0.803 335 N CB 1.491 39.981 38.487 0.004 0.000 1.372 335 N HN 0.563 nan 8.380 nan 0.000 0.500 336 G N -0.536 108.279 108.800 0.025 0.000 2.216 336 G HA2 -0.227 -5.180 3.960 -14.855 0.000 0.269 336 G HA3 -0.227 -5.180 3.960 -14.855 0.000 0.269 336 G C 0.537 175.474 174.900 0.061 0.000 0.981 336 G CA 0.689 45.821 45.100 0.053 0.000 0.658 336 G HN 0.811 nan 8.290 nan 0.000 0.539 337 G N -0.635 108.177 108.800 0.019 0.000 2.491 337 G HA2 0.508 -4.445 3.960 -14.855 0.000 0.242 337 G HA3 0.508 -4.445 3.960 -14.855 0.000 0.242 337 G C -0.263 174.621 174.900 -0.027 0.000 1.266 337 G CA -0.331 44.791 45.100 0.037 0.000 0.844 337 G HN 0.533 nan 8.290 nan 0.000 0.571 338 I N 1.190 121.802 120.570 0.070 0.000 2.378 338 I HA 0.386 -4.357 4.170 -14.855 0.000 0.291 338 I C 0.597 176.753 176.117 0.064 0.000 0.992 338 I CA -0.267 61.084 61.300 0.084 0.000 1.154 338 I CB 2.292 40.411 38.000 0.198 0.000 1.315 338 I HN 0.610 nan 8.210 nan 0.000 0.448 339 T N 4.258 118.819 114.554 0.012 0.000 2.930 339 T HA 0.697 -3.866 4.350 -14.855 0.000 0.290 339 T C -0.358 174.357 174.700 0.026 0.000 1.052 339 T CA -0.835 61.279 62.100 0.023 0.000 1.017 339 T CB 1.776 70.598 68.868 -0.078 0.000 1.137 339 T HN 0.132 nan 8.240 nan 0.000 0.511 340 I N 1.494 122.069 120.570 0.008 0.000 2.460 340 I HA 0.553 -4.190 4.170 -14.855 0.000 0.298 340 I C 0.001 176.085 176.117 -0.054 0.000 0.989 340 I CA -0.692 60.567 61.300 -0.067 0.000 1.173 340 I CB 1.663 39.557 38.000 -0.176 0.000 1.338 340 I HN 0.809 nan 8.210 nan 0.000 0.456 341 K N 6.906 127.298 120.400 -0.013 0.000 2.656 341 K HA 0.339 -4.254 4.320 -14.855 0.000 0.253 341 K C -1.569 175.154 176.600 0.204 0.000 1.002 341 K CA -0.658 55.659 56.287 0.051 0.000 0.880 341 K CB 1.425 33.925 32.500 -0.001 0.000 1.232 341 K HN 0.343 nan 8.250 nan 0.000 0.456 342 L N 2.829 124.234 121.223 0.304 0.000 2.578 342 L HA 0.008 -4.565 4.340 -14.855 0.000 0.279 342 L C 1.106 178.165 176.870 0.314 0.000 1.227 342 L CA 0.553 55.671 54.840 0.462 0.000 0.900 342 L CB -0.107 42.205 42.059 0.422 0.000 1.144 342 L HN 0.652 nan 8.230 nan 0.000 0.496 343 Q N 2.197 122.126 119.800 0.215 0.000 3.141 343 Q HA 0.045 -4.528 4.340 -14.855 0.000 0.304 343 Q C 0.098 176.098 176.000 -0.001 0.000 1.305 343 Q CA -0.203 55.649 55.803 0.082 0.000 0.929 343 Q CB 0.044 28.805 28.738 0.038 0.000 1.701 343 Q HN 0.750 nan 8.270 nan 0.000 0.483 344 S N 2.909 118.606 115.700 -0.004 0.000 2.430 344 S HA 0.280 -4.163 4.470 -14.855 0.000 0.282 344 S C -2.110 172.383 174.600 -0.177 0.000 1.186 344 S CA -1.490 56.561 58.200 -0.249 0.000 1.060 344 S CB 0.514 63.532 63.200 -0.304 0.000 0.966 344 S HN 0.400 nan 8.310 nan 0.000 0.501 345 P HA 0.014 nan 4.420 nan 0.000 0.262 345 P C -0.076 177.164 177.300 -0.100 0.000 1.182 345 P CA 0.025 63.059 63.100 -0.110 0.000 0.761 345 P CB 0.234 31.876 31.700 -0.097 0.000 0.795 346 E N 2.208 122.373 120.200 -0.057 0.000 2.529 346 E HA 0.007 -4.556 4.350 -14.855 0.000 0.259 346 E C -0.532 176.060 176.600 -0.013 0.000 0.966 346 E CA -0.248 56.128 56.400 -0.040 0.000 0.937 346 E CB 0.409 30.100 29.700 -0.014 0.000 0.923 346 E HN 0.147 nan 8.360 nan 0.000 0.468 347 V N 7.771 127.683 119.914 -0.003 0.000 2.149 347 V HA 0.021 -4.772 4.120 -14.855 0.000 0.245 347 V C 1.598 177.779 176.094 0.145 0.000 1.349 347 V CA -0.173 62.162 62.300 0.058 0.000 1.289 347 V CB 0.042 31.892 31.823 0.046 0.000 1.401 347 V HN 0.651 nan 8.190 nan 0.000 0.501 348 R N 1.582 122.151 120.500 0.114 0.000 2.170 348 R HA -0.141 -4.714 4.340 -14.855 0.000 0.242 348 R C 2.473 178.875 176.300 0.171 0.000 1.145 348 R CA 1.747 57.927 56.100 0.134 0.000 0.984 348 R CB -0.542 29.815 30.300 0.096 0.000 0.869 348 R HN 0.675 nan 8.270 nan 0.000 0.455 349 S N -0.119 115.692 115.700 0.185 0.000 2.355 349 S HA -0.148 -4.591 4.470 -14.855 0.000 0.222 349 S C 1.864 176.607 174.600 0.239 0.000 1.031 349 S CA 1.038 59.362 58.200 0.208 0.000 0.993 349 S CB -0.380 62.956 63.200 0.227 0.000 0.859 349 S HN 0.394 nan 8.310 nan 0.000 0.453 350 F N 2.545 122.582 119.950 0.146 0.000 2.120 350 F HA -0.142 -4.542 4.527 -14.878 0.000 0.300 350 F C 1.770 177.672 175.800 0.170 0.000 1.095 350 F CA 2.289 60.365 58.000 0.126 0.000 1.249 350 F CB -0.666 38.392 39.000 0.098 0.000 0.995 350 F HN 0.221 nan 8.300 nan 0.000 0.480 351 D N 0.481 121.017 120.400 0.227 0.000 2.117 351 D HA -0.187 -4.460 4.640 -14.855 0.000 0.197 351 D C 1.922 178.228 176.300 0.009 0.000 0.987 351 D CA 1.571 55.683 54.000 0.187 0.000 0.829 351 D CB -0.689 40.341 40.800 0.383 0.000 0.961 351 D HN 0.355 nan 8.370 nan 0.000 0.460 352 D N -0.547 119.878 120.400 0.042 0.000 2.203 352 D HA -0.207 -4.480 4.640 -14.855 0.000 0.199 352 D C 1.831 178.094 176.300 -0.061 0.000 0.997 352 D CA 0.834 54.841 54.000 0.013 0.000 0.863 352 D CB -0.179 40.654 40.800 0.055 0.000 0.928 352 D HN 0.376 nan 8.370 nan 0.000 0.458 353 Y N -0.030 120.086 120.300 -0.308 0.000 2.262 353 Y HA -0.081 -4.442 4.550 -14.852 0.000 0.295 353 Y C 2.093 177.760 175.900 -0.388 0.000 1.121 353 Y CA 0.650 58.502 58.100 -0.413 0.000 1.144 353 Y CB -0.595 37.384 38.460 -0.803 0.000 1.043 353 Y HN -0.187 nan 8.280 nan 0.000 0.528 354 F N 1.195 120.614 119.950 -0.885 0.000 2.043 354 F HA -0.295 -4.721 4.527 -14.922 0.000 0.297 354 F C 2.002 177.472 175.800 -0.551 0.000 1.121 354 F CA 2.161 59.658 58.000 -0.837 0.000 1.199 354 F CB -0.910 37.606 39.000 -0.807 0.000 0.968 354 F HN 0.102 nan 8.300 nan 0.000 0.478 355 L N -0.076 120.887 121.223 -0.433 0.000 2.043 355 L HA -0.288 -4.861 4.340 -14.855 0.000 0.212 355 L C 2.223 178.896 176.870 -0.327 0.000 1.075 355 L CA 1.901 56.516 54.840 -0.376 0.000 0.752 355 L CB -0.990 40.958 42.059 -0.184 0.000 0.891 355 L HN 0.078 nan 8.230 nan 0.000 0.432 356 K N 0.232 120.443 120.400 -0.314 0.000 2.585 356 K HA 0.020 -4.573 4.320 -14.855 0.000 0.194 356 K C 0.574 177.043 176.600 -0.218 0.000 1.037 356 K CA 0.176 56.330 56.287 -0.221 0.000 0.964 356 K CB -0.256 32.133 32.500 -0.185 0.000 0.787 356 K HN 0.224 nan 8.250 nan 0.000 0.488 357 L N 1.176 122.204 121.223 -0.324 0.000 2.483 357 L HA 0.051 -4.522 4.340 -14.855 0.000 0.275 357 L C 0.625 177.552 176.870 0.096 0.000 1.220 357 L CA 0.114 54.830 54.840 -0.207 0.000 0.833 357 L CB 0.329 42.183 42.059 -0.343 0.000 1.102 357 L HN 0.135 nan 8.230 nan 0.000 0.490 358 R N 0.923 121.528 120.500 0.176 0.000 2.912 358 R HA 0.288 -4.285 4.340 -14.855 0.000 0.262 358 R C 0.498 176.988 176.300 0.317 0.000 1.057 358 R CA -0.858 55.389 56.100 0.245 0.000 0.981 358 R CB 1.186 31.518 30.300 0.054 0.000 1.201 358 R HN 0.464 nan 8.270 nan 0.000 0.484 359 L N 1.153 122.311 121.223 -0.108 0.000 2.093 359 L HA -0.056 -4.629 4.340 -14.855 0.000 0.208 359 L C 1.136 177.975 176.870 -0.052 0.000 1.085 359 L CA 2.098 56.766 54.840 -0.287 0.000 0.755 359 L CB -0.168 41.292 42.059 -0.999 0.000 0.904 359 L HN 0.809 nan 8.230 nan 0.000 0.435 360 D N -3.853 116.497 120.400 -0.084 0.000 2.389 360 D HA -0.030 -4.303 4.640 -14.855 0.000 0.206 360 D C 1.430 177.716 176.300 -0.023 0.000 1.055 360 D CA 0.773 54.739 54.000 -0.057 0.000 0.856 360 D CB -0.085 40.660 40.800 -0.092 0.000 0.957 360 D HN 0.259 nan 8.370 nan 0.000 0.509 361 T N 0.394 114.945 114.554 -0.005 0.000 3.054 361 T HA -0.033 -4.596 4.350 -14.855 0.000 0.259 361 T C 0.684 175.374 174.700 -0.016 0.000 1.092 361 T CA 0.133 62.224 62.100 -0.014 0.000 1.121 361 T CB -0.140 68.716 68.868 -0.019 0.000 0.912 361 T HN 0.036 nan 8.240 nan 0.000 0.489 362 N N 2.025 120.730 118.700 0.008 0.000 2.589 362 N HA 0.173 -4.000 4.740 -14.855 0.000 0.232 362 N C 0.989 176.513 175.510 0.023 0.000 1.015 362 N CA -0.098 52.938 53.050 -0.023 0.000 0.931 362 N CB 0.992 39.397 38.487 -0.136 0.000 1.150 362 N HN 0.159 nan 8.380 nan 0.000 0.512 363 T N 0.523 115.068 114.554 -0.015 0.000 3.034 363 T HA -0.004 -4.567 4.350 -14.855 0.000 0.248 363 T C 1.740 176.426 174.700 -0.024 0.000 1.040 363 T CA 0.070 62.163 62.100 -0.011 0.000 1.107 363 T CB -0.089 68.758 68.868 -0.035 0.000 0.932 363 T HN 0.519 nan 8.240 nan 0.000 0.474 364 R N 1.961 122.412 120.500 -0.082 0.000 2.103 364 R HA -0.046 -4.619 4.340 -14.855 0.000 0.242 364 R C 1.259 177.580 176.300 0.034 0.000 1.142 364 R CA 1.445 57.465 56.100 -0.134 0.000 0.960 364 R CB -0.872 29.165 30.300 -0.439 0.000 0.858 364 R HN 0.348 nan 8.270 nan 0.000 0.439 365 N N 2.532 121.321 118.700 0.149 0.000 2.602 365 N HA 0.068 -4.105 4.740 -14.855 0.000 0.238 365 N C -1.701 173.915 175.510 0.177 0.000 1.084 365 N CA -1.926 51.314 53.050 0.317 0.000 0.952 365 N CB 1.326 40.060 38.487 0.411 0.000 1.244 365 N HN 0.104 nan 8.380 nan 0.000 0.512 366 P HA -0.102 nan 4.420 nan 0.000 0.223 366 P C 0.982 178.284 177.300 0.002 0.000 1.144 366 P CA 0.953 63.985 63.100 -0.113 0.000 0.783 366 P CB 0.062 31.548 31.700 -0.357 0.000 0.771 367 W N -1.744 119.758 121.300 0.336 0.000 2.658 367 W HA 0.040 -4.238 4.660 -14.896 0.000 0.263 367 W C 1.986 178.820 176.519 0.524 0.000 1.274 367 W CA -0.177 57.400 57.345 0.387 0.000 1.343 367 W CB -1.330 28.337 29.460 0.345 0.000 1.106 367 W HN -0.094 nan 8.180 nan 0.000 0.615 368 F N 1.873 122.132 119.950 0.515 0.000 2.063 368 F HA -0.194 -4.504 4.527 -14.729 0.000 0.298 368 F C -0.433 175.695 175.800 0.546 0.000 1.109 368 F CA 1.444 59.786 58.000 0.571 0.000 1.212 368 F CB -2.062 37.205 39.000 0.446 0.000 0.973 368 F HN -0.215 nan 8.300 nan 0.000 0.480 369 P HA -0.252 nan 4.420 nan 0.000 0.218 369 P C 1.556 179.075 177.300 0.366 0.000 1.152 369 P CA 2.374 65.698 63.100 0.373 0.000 0.857 369 P CB -0.191 31.792 31.700 0.471 0.000 0.787 370 E N -1.763 118.689 120.200 0.421 0.000 2.086 370 E HA -0.146 -4.709 4.350 -14.855 0.000 0.190 370 E C 1.888 178.718 176.600 0.384 0.000 0.975 370 E CA 0.388 57.004 56.400 0.359 0.000 0.813 370 E CB -0.572 29.355 29.700 0.378 0.000 0.768 370 E HN 0.063 nan 8.360 nan 0.000 0.457 371 F N 1.366 121.497 119.950 0.301 0.000 2.126 371 F HA -0.199 4.372 4.527 0.074 0.000 0.299 371 F C 2.020 177.912 175.800 0.153 0.000 1.096 371 F CA 1.569 59.703 58.000 0.223 0.000 1.255 371 F CB -0.553 38.634 39.000 0.312 0.000 0.997 371 F HN 0.233 nan 8.300 nan 0.000 0.479 372 W N 1.741 122.859 121.300 -0.303 0.000 2.358 372 W HA -0.215 -4.464 4.660 -14.848 0.000 0.303 372 W C 2.203 178.683 176.519 -0.066 0.000 1.208 372 W CA 2.062 59.205 57.345 -0.338 0.000 1.274 372 W CB -0.878 28.401 29.460 -0.302 0.000 1.138 372 W HN 0.214 nan 8.180 nan 0.000 0.515 373 Q N -1.644 118.362 119.800 0.343 0.000 2.308 373 Q HA -0.270 -4.843 4.340 -14.855 0.000 0.209 373 Q C 2.204 178.243 176.000 0.065 0.000 0.985 373 Q CA 1.720 57.675 55.803 0.253 0.000 0.881 373 Q CB -0.497 28.379 28.738 0.230 0.000 0.917 373 Q HN 0.458 nan 8.270 nan 0.000 0.443 374 H N -0.165 118.829 119.070 -0.126 0.000 2.516 374 H HA 0.041 -4.341 4.556 -14.898 0.000 0.284 374 H C 1.871 176.912 175.328 -0.480 0.000 0.999 374 H CA 0.665 56.567 56.048 -0.244 0.000 1.303 374 H CB 0.387 30.119 29.762 -0.050 0.000 1.452 374 H HN 0.032 nan 8.280 nan 0.000 0.530 375 R N 0.009 120.046 120.500 -0.772 0.000 2.328 375 R HA -0.068 -4.642 4.340 -14.855 0.000 0.207 375 R C 0.230 175.613 176.300 -1.528 0.000 1.056 375 R CA 1.296 56.633 56.100 -1.272 0.000 1.016 375 R CB -0.332 28.871 30.300 -1.829 0.000 0.872 375 R HN 0.214 nan 8.270 nan 0.000 0.471 376 F N -0.461 119.198 119.950 -0.485 0.000 2.781 376 F HA 0.310 -4.087 4.527 -14.874 0.000 0.322 376 F C 0.037 175.594 175.800 -0.404 0.000 1.108 376 F CA -0.681 57.096 58.000 -0.371 0.000 1.179 376 F CB 0.244 39.080 39.000 -0.273 0.000 1.072 376 F HN -0.083 nan 8.300 nan 0.000 0.545 377 Q N 0.320 119.792 119.800 -0.548 0.000 2.437 377 Q HA -0.264 -4.837 4.340 -14.855 0.000 0.274 377 Q C 0.531 176.155 176.000 -0.627 0.000 1.165 377 Q CA 0.795 56.041 55.803 -0.929 0.000 0.925 377 Q CB -2.151 26.274 28.738 -0.523 0.000 1.327 377 Q HN 0.692 nan 8.270 nan 0.000 0.505 378 c N -1.062 117.344 118.600 -0.322 0.000 2.824 378 c HA 0.902 -3.441 4.570 -14.855 0.000 0.405 378 c C -0.007 174.092 174.090 0.014 0.000 2.178 378 c CA -0.651 55.630 56.329 -0.080 0.000 1.755 378 c CB 1.645 44.172 42.510 0.028 0.000 2.291 378 c HN 0.572 nan 8.230 nan 0.000 0.462 379 R N 0.185 120.737 120.500 0.087 0.000 2.535 379 R HA 0.604 -3.969 4.340 -14.855 0.000 0.274 379 R C -2.166 174.172 176.300 0.064 0.000 1.090 379 R CA -0.663 55.509 56.100 0.121 0.000 0.930 379 R CB 0.551 30.957 30.300 0.178 0.000 1.223 379 R HN 0.767 nan 8.270 nan 0.000 0.441 380 L N 3.798 125.051 121.223 0.050 0.000 2.270 380 L HA 0.443 -4.131 4.340 -14.855 0.000 0.286 380 L C -2.108 174.772 176.870 0.015 0.000 1.059 380 L CA -1.961 52.888 54.840 0.015 0.000 0.839 380 L CB 0.840 42.898 42.059 -0.002 0.000 1.221 380 L HN 0.408 nan 8.230 nan 0.000 0.431 381 P HA 0.375 nan 4.420 nan 0.000 0.279 381 P C 0.837 178.153 177.300 0.028 0.000 1.276 381 P CA 0.024 63.132 63.100 0.012 0.000 0.801 381 P CB 1.383 33.094 31.700 0.018 0.000 1.127 382 G N -1.196 107.621 108.800 0.028 0.000 2.729 382 G HA2 -0.223 -5.176 3.960 -14.855 0.000 0.216 382 G HA3 -0.223 -5.176 3.960 -14.855 0.000 0.216 382 G C 0.323 175.285 174.900 0.102 0.000 1.252 382 G CA 0.431 45.561 45.100 0.051 0.000 0.751 382 G HN 1.010 nan 8.290 nan 0.000 0.527 383 H N 2.011 121.086 119.070 0.008 0.000 2.615 383 H HA 0.539 -3.825 4.556 -14.866 0.000 0.363 383 H C 1.845 177.190 175.328 0.028 0.000 1.148 383 H CA -0.097 55.959 56.048 0.014 0.000 1.401 383 H CB 1.067 30.834 29.762 0.008 0.000 1.461 383 H HN 0.279 nan 8.280 nan 0.000 0.588 384 L N 2.814 124.316 121.223 0.464 0.000 1.978 384 L HA -0.168 -4.742 4.340 -14.855 0.000 0.218 384 L C 0.754 177.563 176.870 -0.101 0.000 1.075 384 L CA 1.386 56.322 54.840 0.160 0.000 0.767 384 L CB -0.211 41.981 42.059 0.223 0.000 0.890 384 L HN 0.604 nan 8.230 nan 0.000 0.434 385 L N 1.121 122.118 121.223 -0.376 0.000 2.361 385 L HA 0.162 -4.411 4.340 -14.855 0.000 0.278 385 L C -0.075 176.557 176.870 -0.396 0.000 1.113 385 L CA 0.243 54.903 54.840 -0.300 0.000 0.849 385 L CB 0.610 42.618 42.059 -0.084 0.000 1.155 385 L HN 0.224 nan 8.230 nan 0.000 0.452 386 E N 3.567 123.681 120.200 -0.144 0.000 2.321 386 E HA 0.176 -4.387 4.350 -14.855 0.000 0.278 386 E C -1.542 175.071 176.600 0.022 0.000 0.902 386 E CA -0.606 55.756 56.400 -0.064 0.000 0.758 386 E CB 2.270 31.932 29.700 -0.064 0.000 1.213 386 E HN 0.373 nan 8.360 nan 0.000 0.426 387 N N 4.696 123.460 118.700 0.107 0.000 2.589 387 N HA 0.211 -3.962 4.740 -14.855 0.000 0.232 387 N C -1.987 173.579 175.510 0.094 0.000 1.015 387 N CA -1.633 51.496 53.050 0.132 0.000 0.931 387 N CB 1.151 39.854 38.487 0.359 0.000 1.150 387 N HN 0.208 nan 8.380 nan 0.000 0.512 388 P HA 0.078 nan 4.420 nan 0.000 0.253 388 P C -0.124 177.064 177.300 -0.187 0.000 1.260 388 P CA 0.152 63.221 63.100 -0.051 0.000 0.800 388 P CB 0.293 31.971 31.700 -0.037 0.000 1.162 389 N N 0.047 118.467 118.700 -0.466 0.000 2.485 389 N HA 0.086 -4.087 4.740 -14.855 0.000 0.199 389 N C 0.115 175.057 175.510 -0.947 0.000 1.236 389 N CA 0.574 53.211 53.050 -0.688 0.000 0.852 389 N CB -0.270 37.745 38.487 -0.786 0.000 1.018 389 N HN 0.312 nan 8.380 nan 0.000 0.457 390 F N -0.859 119.105 119.950 0.023 0.000 2.764 390 F HA 0.442 -3.940 4.527 -14.847 0.000 0.347 390 F C 1.256 177.066 175.800 0.017 0.000 1.151 390 F CA -0.999 57.014 58.000 0.021 0.000 1.021 390 F CB 1.408 40.426 39.000 0.029 0.000 1.438 390 F HN -0.405 nan 8.300 nan 0.000 0.516 391 K N 0.176 120.724 120.400 0.248 0.000 2.494 391 K HA 0.119 -4.474 4.320 -14.855 0.000 0.201 391 K C -0.129 176.529 176.600 0.097 0.000 1.338 391 K CA 0.197 56.560 56.287 0.127 0.000 0.935 391 K CB 0.239 32.795 32.500 0.094 0.000 1.514 391 K HN 0.603 nan 8.250 nan 0.000 0.490 392 K N 1.809 122.261 120.400 0.087 0.000 2.154 392 K HA 0.322 -4.271 4.320 -14.855 0.000 0.264 392 K C 0.311 176.938 176.600 0.046 0.000 1.008 392 K CA -0.458 55.859 56.287 0.050 0.000 0.937 392 K CB 1.184 33.703 32.500 0.031 0.000 1.002 392 K HN -0.302 nan 8.250 nan 0.000 0.469 393 V N 1.194 121.124 119.914 0.027 0.000 3.336 393 V HA 0.088 -4.705 4.120 -14.855 0.000 0.304 393 V C 0.286 176.383 176.094 0.005 0.000 1.073 393 V CA -1.027 61.284 62.300 0.018 0.000 1.074 393 V CB 0.808 32.633 31.823 0.004 0.000 1.161 393 V HN 0.940 nan 8.190 nan 0.000 0.460 394 c N 0.880 119.475 118.600 -0.008 0.000 2.405 394 c HA 0.318 -4.025 4.570 -14.855 0.000 0.365 394 c C 2.001 176.057 174.090 -0.057 0.000 1.233 394 c CA -0.316 55.997 56.329 -0.028 0.000 2.230 394 c CB 0.406 42.901 42.510 -0.026 0.000 2.443 394 c HN 0.997 nan 8.230 nan 0.000 0.556 395 T N 0.828 115.341 114.554 -0.068 0.000 3.007 395 T HA 0.117 -4.446 4.350 -14.855 0.000 0.270 395 T C 1.769 176.418 174.700 -0.085 0.000 1.107 395 T CA 1.470 63.531 62.100 -0.066 0.000 1.118 395 T CB -0.366 68.464 68.868 -0.063 0.000 0.889 395 T HN 1.363 nan 8.240 nan 0.000 0.506 396 G N 1.817 110.544 108.800 -0.122 0.000 2.234 396 G HA2 -0.263 -5.216 3.960 -14.855 0.000 0.260 396 G HA3 -0.263 -5.216 3.960 -14.855 0.000 0.260 396 G C 0.401 175.213 174.900 -0.147 0.000 0.987 396 G CA 0.141 45.132 45.100 -0.182 0.000 0.625 396 G HN 0.557 nan 8.290 nan 0.000 0.532 397 N N 0.965 119.624 118.700 -0.069 0.000 2.610 397 N HA 0.266 -3.907 4.740 -14.855 0.000 0.307 397 N C -0.547 174.962 175.510 -0.001 0.000 1.813 397 N CA -0.179 52.861 53.050 -0.016 0.000 0.901 397 N CB 0.939 39.407 38.487 -0.032 0.000 1.354 397 N HN 0.432 nan 8.380 nan 0.000 0.491 398 E N 0.684 120.893 120.200 0.015 0.000 2.366 398 E HA 0.185 -4.378 4.350 -14.855 0.000 0.266 398 E C -0.278 176.241 176.600 -0.134 0.000 1.051 398 E CA 0.172 56.415 56.400 -0.261 0.000 0.884 398 E CB 1.008 29.972 29.700 -1.226 0.000 1.006 398 E HN -0.029 nan 8.360 nan 0.000 0.417 399 S N 2.369 118.037 115.700 -0.054 0.000 2.449 399 S HA 0.261 -4.182 4.470 -14.855 0.000 0.310 399 S C 0.721 175.336 174.600 0.025 0.000 1.096 399 S CA -0.664 57.529 58.200 -0.011 0.000 1.095 399 S CB 0.342 63.546 63.200 0.006 0.000 1.007 399 S HN 0.548 nan 8.310 nan 0.000 0.474 400 L N 4.131 125.321 121.223 -0.054 0.000 2.549 400 L HA 0.034 -4.539 4.340 -14.855 0.000 0.229 400 L C 1.988 178.865 176.870 0.012 0.000 1.158 400 L CA 0.747 55.539 54.840 -0.080 0.000 0.842 400 L CB -0.328 41.578 42.059 -0.255 0.000 0.952 400 L HN 0.717 nan 8.230 nan 0.000 0.452 401 E N 0.878 121.105 120.200 0.045 0.000 2.347 401 E HA -0.125 -4.688 4.350 -14.855 0.000 0.196 401 E C 0.459 177.154 176.600 0.158 0.000 1.008 401 E CA 0.073 56.552 56.400 0.132 0.000 0.852 401 E CB -0.011 29.747 29.700 0.098 0.000 0.783 401 E HN 0.619 nan 8.360 nan 0.000 0.505 402 E N 2.466 122.728 120.200 0.105 0.000 2.383 402 E HA -0.079 -4.642 4.350 -14.855 0.000 0.257 402 E C -0.225 176.434 176.600 0.098 0.000 1.079 402 E CA -0.101 56.348 56.400 0.083 0.000 0.934 402 E CB -0.125 29.605 29.700 0.049 0.000 0.978 402 E HN 0.012 nan 8.360 nan 0.000 0.462 403 N N 1.128 119.890 118.700 0.103 0.000 2.713 403 N HA -0.283 -4.456 4.740 -14.855 0.000 0.251 403 N C -0.585 175.012 175.510 0.144 0.000 1.117 403 N CA 1.165 54.274 53.050 0.099 0.000 0.770 403 N CB -1.806 36.719 38.487 0.064 0.000 1.137 403 N HN 0.682 nan 8.380 nan 0.000 0.566 404 Y N 1.366 121.715 120.300 0.082 0.000 2.610 404 Y HA 0.300 -4.062 4.550 -14.853 0.000 0.332 404 Y C 0.034 176.001 175.900 0.111 0.000 1.201 404 Y CA -0.150 58.025 58.100 0.125 0.000 1.465 404 Y CB 0.761 39.329 38.460 0.179 0.000 1.283 404 Y HN -0.046 nan 8.280 nan 0.000 0.563 405 V N 7.516 127.089 119.914 -0.569 0.000 2.532 405 V HA 0.127 -4.666 4.120 -14.855 0.000 0.294 405 V C -0.442 175.279 176.094 -0.622 0.000 1.036 405 V CA -1.169 60.785 62.300 -0.576 0.000 0.876 405 V CB 1.411 33.118 31.823 -0.193 0.000 1.012 405 V HN 0.812 nan 8.190 nan 0.000 0.432 406 Q N 2.808 122.180 119.800 -0.715 0.000 2.286 406 Q HA -0.017 -4.590 4.340 -14.855 0.000 0.290 406 Q C 0.093 175.949 176.000 -0.239 0.000 1.049 406 Q CA 0.101 55.705 55.803 -0.332 0.000 0.923 406 Q CB 0.648 29.295 28.738 -0.152 0.000 1.183 406 Q HN 0.800 nan 8.270 nan 0.000 0.383 407 D N 1.941 122.189 120.400 -0.253 0.000 2.583 407 D HA -0.090 -4.364 4.640 -14.855 0.000 0.232 407 D C 0.724 176.910 176.300 -0.190 0.000 1.128 407 D CA 0.756 54.625 54.000 -0.217 0.000 0.859 407 D CB 0.921 41.534 40.800 -0.311 0.000 1.169 407 D HN 0.597 nan 8.370 nan 0.000 0.481 408 S N 4.348 119.973 115.700 -0.126 0.000 2.348 408 S HA -0.193 -4.636 4.470 -14.855 0.000 0.221 408 S C 1.537 176.099 174.600 -0.062 0.000 1.033 408 S CA 0.844 58.988 58.200 -0.093 0.000 1.010 408 S CB -0.172 62.991 63.200 -0.062 0.000 0.891 408 S HN 0.595 nan 8.310 nan 0.000 0.442 409 K N 0.403 120.773 120.400 -0.051 0.000 2.525 409 K HA 0.203 -4.391 4.320 -14.855 0.000 0.192 409 K C 1.784 178.378 176.600 -0.010 0.000 1.029 409 K CA 0.330 56.658 56.287 0.068 0.000 1.029 409 K CB -0.281 32.269 32.500 0.083 0.000 0.814 409 K HN 0.245 nan 8.250 nan 0.000 0.503 410 M N 1.440 120.940 119.600 -0.166 0.000 2.152 410 M HA -0.249 -4.683 4.480 -14.855 0.000 0.251 410 M C 1.772 177.946 176.300 -0.209 0.000 1.080 410 M CA 2.167 57.306 55.300 -0.270 0.000 1.079 410 M CB -1.097 31.282 32.600 -0.369 0.000 1.317 410 M HN 0.211 nan 8.290 nan 0.000 0.404 411 G N -0.869 107.816 108.800 -0.192 0.000 2.628 411 G HA2 -0.282 -5.235 3.960 -14.855 0.000 0.217 411 G HA3 -0.282 -5.235 3.960 -14.855 0.000 0.217 411 G C 1.330 176.107 174.900 -0.205 0.000 1.240 411 G CA 1.290 46.241 45.100 -0.247 0.000 0.792 411 G HN 0.521 nan 8.290 nan 0.000 0.593 412 F N 0.730 120.646 119.950 -0.057 0.000 2.063 412 F HA -0.211 -4.599 4.527 -14.858 0.000 0.298 412 F C 3.041 178.813 175.800 -0.047 0.000 1.105 412 F CA 1.524 59.519 58.000 -0.008 0.000 1.215 412 F CB -1.105 37.937 39.000 0.070 0.000 0.972 412 F HN -0.004 nan 8.300 nan 0.000 0.483 413 V N 0.869 120.787 119.914 0.007 0.000 2.278 413 V HA -0.350 -5.143 4.120 -14.855 0.000 0.251 413 V C 2.289 178.302 176.094 -0.136 0.000 1.062 413 V CA 2.224 64.385 62.300 -0.231 0.000 1.038 413 V CB -0.816 30.739 31.823 -0.447 0.000 0.646 413 V HN 0.349 nan 8.190 nan 0.000 0.447 414 I N 0.378 120.847 120.570 -0.168 0.000 2.118 414 I HA -0.276 -5.019 4.170 -14.855 0.000 0.241 414 I C 2.436 178.373 176.117 -0.300 0.000 1.070 414 I CA 1.934 63.078 61.300 -0.259 0.000 1.327 414 I CB -0.875 36.989 38.000 -0.226 0.000 1.034 414 I HN 0.344 nan 8.210 nan 0.000 0.405 415 N N 1.511 120.167 118.700 -0.073 0.000 2.043 415 N HA -0.185 -4.358 4.740 -14.855 0.000 0.193 415 N C 1.982 177.669 175.510 0.295 0.000 1.037 415 N CA 1.930 55.080 53.050 0.167 0.000 0.851 415 N CB -0.620 37.950 38.487 0.138 0.000 1.027 415 N HN 0.436 nan 8.380 nan 0.000 0.422 416 A N 1.271 124.229 122.820 0.231 0.000 1.986 416 A HA -0.111 -4.704 4.320 -14.855 0.000 0.220 416 A C 2.337 180.024 177.584 0.172 0.000 1.171 416 A CA 0.970 53.160 52.037 0.255 0.000 0.640 416 A CB -0.728 18.417 19.000 0.241 0.000 0.811 416 A HN 0.272 nan 8.150 nan 0.000 0.451 417 I N -2.065 118.536 120.570 0.051 0.000 2.394 417 I HA -0.274 -5.017 4.170 -14.855 0.000 0.251 417 I C 2.344 178.526 176.117 0.108 0.000 1.136 417 I CA 1.327 62.626 61.300 -0.001 0.000 1.425 417 I CB -0.321 37.591 38.000 -0.146 0.000 1.079 417 I HN 0.490 nan 8.210 nan 0.000 0.425 418 Y N 0.409 120.829 120.300 0.201 0.000 2.133 418 Y HA -0.241 -4.602 4.550 -14.851 0.000 0.287 418 Y C 2.776 178.778 175.900 0.170 0.000 1.134 418 Y CA 0.518 58.756 58.100 0.231 0.000 1.133 418 Y CB -0.355 38.408 38.460 0.506 0.000 0.987 418 Y HN 0.138 nan 8.280 nan 0.000 0.502 419 A N 0.334 123.446 122.820 0.486 0.000 1.915 419 A HA -0.374 -4.967 4.320 -14.855 0.000 0.220 419 A C 2.133 179.800 177.584 0.139 0.000 1.198 419 A CA 2.427 54.651 52.037 0.312 0.000 0.647 419 A CB -0.929 18.385 19.000 0.524 0.000 0.825 419 A HN 0.521 nan 8.150 nan 0.000 0.456 420 M N -0.002 119.668 119.600 0.116 0.000 2.202 420 M HA -0.089 -4.523 4.480 -14.855 0.000 0.262 420 M C 2.049 178.361 176.300 0.019 0.000 1.063 420 M CA 1.685 57.006 55.300 0.036 0.000 1.097 420 M CB -0.746 31.866 32.600 0.021 0.000 1.382 420 M HN 0.424 nan 8.290 nan 0.000 0.413 421 A N -1.393 121.450 122.820 0.038 0.000 1.898 421 A HA -0.132 -4.725 4.320 -14.855 0.000 0.214 421 A C 2.139 179.650 177.584 -0.121 0.000 1.183 421 A CA 1.384 53.394 52.037 -0.044 0.000 0.622 421 A CB -1.094 17.887 19.000 -0.032 0.000 0.824 421 A HN 0.648 nan 8.150 nan 0.000 0.444 422 H N -0.294 118.666 119.070 -0.183 0.000 2.319 422 H HA -0.165 -4.522 4.556 -14.856 0.000 0.297 422 H C 2.476 177.740 175.328 -0.107 0.000 1.097 422 H CA 1.660 57.572 56.048 -0.226 0.000 1.285 422 H CB -0.588 28.915 29.762 -0.432 0.000 1.368 422 H HN 0.508 nan 8.280 nan 0.000 0.495 423 G N 1.239 110.079 108.800 0.067 0.000 2.529 423 G HA2 -0.261 -5.214 3.960 -14.855 0.000 0.219 423 G HA3 -0.261 -5.214 3.960 -14.855 0.000 0.219 423 G C 1.948 176.852 174.900 0.006 0.000 1.177 423 G CA 0.978 46.117 45.100 0.064 0.000 0.773 423 G HN 0.295 nan 8.290 nan 0.000 0.573 424 L N -0.114 121.081 121.223 -0.046 0.000 2.081 424 L HA -0.207 -4.780 4.340 -14.855 0.000 0.212 424 L C 2.983 179.783 176.870 -0.117 0.000 1.080 424 L CA 1.758 56.543 54.840 -0.092 0.000 0.754 424 L CB -0.360 41.635 42.059 -0.106 0.000 0.893 424 L HN 0.319 nan 8.230 nan 0.000 0.433 425 Q N 0.317 120.036 119.800 -0.136 0.000 2.020 425 Q HA -0.139 -4.712 4.340 -14.855 0.000 0.198 425 Q C 1.971 177.873 176.000 -0.163 0.000 0.974 425 Q CA 1.583 57.261 55.803 -0.207 0.000 0.829 425 Q CB -0.080 28.506 28.738 -0.253 0.000 0.894 425 Q HN 0.383 nan 8.270 nan 0.000 0.433 426 N N -0.124 118.574 118.700 -0.004 0.000 2.205 426 N HA -0.183 -4.356 4.740 -14.855 0.000 0.186 426 N C 1.667 177.245 175.510 0.113 0.000 1.015 426 N CA 1.484 54.625 53.050 0.151 0.000 0.862 426 N CB -0.262 38.386 38.487 0.268 0.000 0.986 426 N HN 0.413 nan 8.380 nan 0.000 0.429 427 M N 0.351 119.870 119.600 -0.135 0.000 2.081 427 M HA -0.164 -4.597 4.480 -14.855 0.000 0.261 427 M C 2.332 178.441 176.300 -0.318 0.000 1.075 427 M CA 1.474 56.400 55.300 -0.624 0.000 1.133 427 M CB -0.438 31.801 32.600 -0.602 0.000 1.330 427 M HN 0.191 nan 8.290 nan 0.000 0.414 428 H N -0.623 118.290 119.070 -0.262 0.000 2.321 428 H HA -0.278 -4.635 4.556 -14.855 0.000 0.295 428 H C 1.561 176.861 175.328 -0.047 0.000 1.102 428 H CA 2.552 58.489 56.048 -0.185 0.000 1.266 428 H CB -0.616 29.025 29.762 -0.202 0.000 1.363 428 H HN 0.640 nan 8.280 nan 0.000 0.492 429 H N -0.766 118.223 119.070 -0.134 0.000 2.518 429 H HA -0.055 -4.412 4.556 -14.854 0.000 0.289 429 H C 2.135 177.389 175.328 -0.123 0.000 1.051 429 H CA 0.387 56.349 56.048 -0.144 0.000 1.280 429 H CB 0.324 30.091 29.762 0.008 0.000 1.380 429 H HN 0.499 nan 8.280 nan 0.000 0.566 430 A N 0.042 122.858 122.820 -0.007 0.000 1.920 430 A HA 0.085 -4.508 4.320 -14.855 0.000 0.209 430 A C 2.092 179.630 177.584 -0.077 0.000 1.229 430 A CA 0.202 52.247 52.037 0.013 0.000 0.671 430 A CB -0.028 19.045 19.000 0.122 0.000 0.886 430 A HN 0.208 nan 8.150 nan 0.000 0.461 431 L N -1.107 119.998 121.223 -0.197 0.000 2.316 431 L HA 0.060 -4.513 4.340 -14.855 0.000 0.207 431 L C 0.275 177.003 176.870 -0.238 0.000 1.070 431 L CA 0.314 55.047 54.840 -0.177 0.000 0.820 431 L CB 0.237 42.174 42.059 -0.202 0.000 0.992 431 L HN 0.311 nan 8.230 nan 0.000 0.466 432 c N 1.759 120.145 118.600 -0.357 0.000 2.842 432 c HA 0.354 -3.989 4.570 -14.855 0.000 0.311 432 c C -2.254 171.514 174.090 -0.537 0.000 1.312 432 c CA -1.612 54.322 56.329 -0.658 0.000 1.651 432 c CB -0.703 41.444 42.510 -0.605 0.000 1.826 432 c HN 0.094 nan 8.230 nan 0.000 0.491 433 P HA 0.300 nan 4.420 nan 0.000 0.281 433 P C 0.856 178.272 177.300 0.193 0.000 1.252 433 P CA 1.294 64.371 63.100 -0.038 0.000 0.778 433 P CB 0.966 32.655 31.700 -0.018 0.000 0.895 434 G N 1.750 110.611 108.800 0.101 0.000 2.179 434 G HA2 -0.184 -5.137 3.960 -14.855 0.000 0.260 434 G HA3 -0.184 -5.137 3.960 -14.855 0.000 0.260 434 G C 0.090 175.031 174.900 0.068 0.000 0.977 434 G CA -0.183 44.959 45.100 0.071 0.000 0.641 434 G HN 0.758 nan 8.290 nan 0.000 0.533 435 H N -0.566 118.514 119.070 0.016 0.000 2.472 435 H HA 0.432 -3.925 4.556 -14.855 0.000 0.335 435 H C 1.559 176.994 175.328 0.178 0.000 1.136 435 H CA -0.464 55.636 56.048 0.087 0.000 1.264 435 H CB 2.156 31.974 29.762 0.094 0.000 1.486 435 H HN -0.021 nan 8.280 nan 0.000 0.517 436 V N 2.326 122.371 119.914 0.218 0.000 2.223 436 V HA -0.156 -4.949 4.120 -14.855 0.000 0.244 436 V C 1.594 177.761 176.094 0.121 0.000 1.045 436 V CA 2.088 64.474 62.300 0.144 0.000 1.000 436 V CB -0.618 31.249 31.823 0.073 0.000 0.635 436 V HN 0.934 nan 8.190 nan 0.000 0.445 437 G N -1.125 107.738 108.800 0.104 0.000 3.271 437 G HA2 0.512 -4.441 3.960 -14.855 0.000 0.174 437 G HA3 0.512 -4.441 3.960 -14.855 0.000 0.174 437 G C -0.868 174.044 174.900 0.020 0.000 1.385 437 G CA -0.501 44.597 45.100 -0.003 0.000 0.979 437 G HN 0.173 nan 8.290 nan 0.000 0.610 438 L N 0.041 121.257 121.223 -0.010 0.000 2.399 438 L HA 0.573 -4.000 4.340 -14.855 0.000 0.266 438 L C 0.533 177.422 176.870 0.030 0.000 1.114 438 L CA -0.208 54.635 54.840 0.004 0.000 0.804 438 L CB 1.379 43.419 42.059 -0.033 0.000 1.146 438 L HN 0.747 nan 8.230 nan 0.000 0.451 439 c N 0.484 119.078 118.600 -0.009 0.000 3.108 439 c HA 0.506 -3.837 4.570 -14.855 0.000 0.321 439 c C 1.490 175.563 174.090 -0.028 0.000 1.357 439 c CA -0.372 55.947 56.329 -0.016 0.000 1.562 439 c CB 1.145 43.582 42.510 -0.122 0.000 2.003 439 c HN 0.970 nan 8.230 nan 0.000 0.460 440 D N 1.276 121.673 120.400 -0.005 0.000 2.149 440 D HA -0.166 -4.439 4.640 -14.855 0.000 0.194 440 D C 1.973 178.260 176.300 -0.022 0.000 1.001 440 D CA 2.659 56.656 54.000 -0.004 0.000 0.849 440 D CB -0.128 40.679 40.800 0.012 0.000 0.939 440 D HN 0.884 nan 8.370 nan 0.000 0.449 441 A N -0.633 122.159 122.820 -0.046 0.000 2.070 441 A HA -0.058 -4.651 4.320 -14.855 0.000 0.220 441 A C 2.193 179.742 177.584 -0.058 0.000 1.159 441 A CA 1.577 53.582 52.037 -0.054 0.000 0.656 441 A CB -0.625 18.324 19.000 -0.084 0.000 0.800 441 A HN 0.433 nan 8.150 nan 0.000 0.453 442 M N -0.921 118.642 119.600 -0.062 0.000 2.371 442 M HA 0.191 -4.242 4.480 -14.855 0.000 0.246 442 M C -0.587 175.691 176.300 -0.036 0.000 1.103 442 M CA 0.476 55.742 55.300 -0.057 0.000 1.010 442 M CB 0.313 32.877 32.600 -0.059 0.000 1.457 442 M HN 0.141 nan 8.290 nan 0.000 0.486 443 K N 1.504 121.889 120.400 -0.025 0.000 2.483 443 K HA 0.478 -4.115 4.320 -14.855 0.000 0.256 443 K C -2.576 174.020 176.600 -0.006 0.000 0.961 443 K CA -1.735 54.544 56.287 -0.014 0.000 0.873 443 K CB 0.903 33.398 32.500 -0.009 0.000 1.107 443 K HN 0.006 nan 8.250 nan 0.000 0.432 444 P HA 0.297 nan 4.420 nan 0.000 0.293 444 P C -0.362 176.932 177.300 -0.009 0.000 1.304 444 P CA -0.664 62.434 63.100 -0.004 0.000 0.767 444 P CB 0.792 32.495 31.700 0.006 0.000 1.247 445 I N 0.753 121.317 120.570 -0.011 0.000 2.322 445 I HA 0.073 -4.671 4.170 -14.855 0.000 0.292 445 I C 0.795 176.917 176.117 0.008 0.000 1.060 445 I CA -0.272 61.019 61.300 -0.015 0.000 1.309 445 I CB -0.120 37.866 38.000 -0.023 0.000 1.415 445 I HN 0.254 nan 8.210 nan 0.000 0.492 446 D N 5.784 126.191 120.400 0.011 0.000 2.401 446 D HA 0.022 -4.251 4.640 -14.855 0.000 0.254 446 D C 1.051 177.394 176.300 0.071 0.000 1.192 446 D CA 0.307 54.331 54.000 0.041 0.000 0.885 446 D CB 1.668 42.492 40.800 0.040 0.000 1.147 446 D HN 0.720 nan 8.370 nan 0.000 0.478 447 G N 4.672 113.532 108.800 0.101 0.000 2.666 447 G HA2 -0.299 -5.252 3.960 -14.855 0.000 0.215 447 G HA3 -0.299 -5.252 3.960 -14.855 0.000 0.215 447 G C 1.449 176.480 174.900 0.219 0.000 1.294 447 G CA 0.735 45.932 45.100 0.162 0.000 0.811 447 G HN 0.644 nan 8.290 nan 0.000 0.594 448 R N 0.556 121.215 120.500 0.264 0.000 2.178 448 R HA -0.213 -4.787 4.340 -14.855 0.000 0.257 448 R C 2.531 178.912 176.300 0.133 0.000 1.163 448 R CA 2.119 58.341 56.100 0.203 0.000 0.981 448 R CB -0.235 30.168 30.300 0.170 0.000 0.878 448 R HN 0.382 nan 8.270 nan 0.000 0.454 449 K N -0.145 120.349 120.400 0.157 0.000 2.031 449 K HA -0.126 -4.719 4.320 -14.855 0.000 0.205 449 K C 1.936 178.713 176.600 0.294 0.000 1.049 449 K CA 0.999 57.426 56.287 0.233 0.000 0.939 449 K CB -0.248 32.360 32.500 0.180 0.000 0.717 449 K HN 0.103 nan 8.250 nan 0.000 0.438 450 L N 1.657 122.976 121.223 0.160 0.000 2.353 450 L HA -0.106 -4.679 4.340 -14.855 0.000 0.220 450 L C 1.656 178.605 176.870 0.132 0.000 1.133 450 L CA 1.144 56.060 54.840 0.127 0.000 0.798 450 L CB -0.472 41.622 42.059 0.059 0.000 0.922 450 L HN 0.094 nan 8.230 nan 0.000 0.445 451 L N -0.485 120.799 121.223 0.102 0.000 1.947 451 L HA -0.097 -4.670 4.340 -14.855 0.000 0.211 451 L C 2.017 178.887 176.870 0.000 0.000 1.098 451 L CA 1.894 56.730 54.840 -0.006 0.000 0.767 451 L CB -1.046 40.923 42.059 -0.149 0.000 0.891 451 L HN 0.211 nan 8.230 nan 0.000 0.436 452 D N -0.413 119.973 120.400 -0.024 0.000 2.412 452 D HA -0.316 -4.590 4.640 -14.855 0.000 0.191 452 D C 1.913 178.161 176.300 -0.087 0.000 1.019 452 D CA 2.463 56.409 54.000 -0.089 0.000 0.866 452 D CB -0.531 40.175 40.800 -0.156 0.000 0.966 452 D HN 0.357 nan 8.370 nan 0.000 0.459 453 F N -0.135 119.809 119.950 -0.009 0.000 2.549 453 F HA -0.082 -4.468 4.527 -14.856 0.000 0.295 453 F C 1.988 177.789 175.800 0.002 0.000 1.124 453 F CA 0.397 58.401 58.000 0.007 0.000 1.482 453 F CB -0.098 38.907 39.000 0.008 0.000 1.108 453 F HN 0.052 nan 8.300 nan 0.000 0.602 454 L N -1.242 120.035 121.223 0.089 0.000 2.379 454 L HA -0.054 -4.627 4.340 -14.855 0.000 0.190 454 L C 2.332 179.177 176.870 -0.041 0.000 1.111 454 L CA 0.102 54.936 54.840 -0.010 0.000 0.820 454 L CB -0.386 41.607 42.059 -0.111 0.000 1.046 454 L HN -0.094 nan 8.230 nan 0.000 0.485 455 I N 0.838 121.367 120.570 -0.068 0.000 2.181 455 I HA -0.356 -5.099 4.170 -14.855 0.000 0.247 455 I C 1.961 178.206 176.117 0.214 0.000 1.081 455 I CA 1.823 63.145 61.300 0.037 0.000 1.340 455 I CB -0.939 37.081 38.000 0.033 0.000 1.036 455 I HN 0.303 nan 8.210 nan 0.000 0.417 456 K N 0.304 120.774 120.400 0.118 0.000 2.525 456 K HA 0.056 -4.537 4.320 -14.855 0.000 0.192 456 K C 0.509 177.212 176.600 0.171 0.000 1.029 456 K CA -0.035 56.319 56.287 0.112 0.000 1.029 456 K CB 0.119 32.611 32.500 -0.013 0.000 0.814 456 K HN 0.153 nan 8.250 nan 0.000 0.503 457 S N 0.666 116.520 115.700 0.257 0.000 2.541 457 S HA 0.358 -4.085 4.470 -14.855 0.000 0.283 457 S C -0.419 174.415 174.600 0.391 0.000 1.196 457 S CA -0.877 57.483 58.200 0.266 0.000 1.062 457 S CB 1.644 64.973 63.200 0.216 0.000 1.009 457 S HN 0.255 nan 8.310 nan 0.000 0.502 458 S N 2.047 117.915 115.700 0.279 0.000 2.566 458 S HA 0.812 -3.631 4.470 -14.855 0.000 0.273 458 S C -0.836 173.972 174.600 0.346 0.000 1.157 458 S CA -1.021 57.386 58.200 0.346 0.000 0.938 458 S CB 0.519 63.839 63.200 0.200 0.000 1.087 458 S HN 0.801 nan 8.310 nan 0.000 0.474 459 F N -0.629 119.257 119.950 -0.106 0.000 2.779 459 F HA 0.800 -3.587 4.527 -14.857 0.000 0.316 459 F C -1.371 174.401 175.800 -0.047 0.000 1.164 459 F CA -1.738 56.181 58.000 -0.134 0.000 0.924 459 F CB 0.710 39.470 39.000 -0.401 0.000 1.348 459 F HN 0.387 nan 8.300 nan 0.000 0.467 460 V N 2.500 122.326 119.914 -0.147 0.000 2.521 460 V HA 0.397 -4.396 4.120 -14.855 0.000 0.286 460 V C 1.112 176.989 176.094 -0.363 0.000 1.034 460 V CA 0.359 62.532 62.300 -0.211 0.000 1.045 460 V CB 0.321 32.118 31.823 -0.042 0.000 0.974 460 V HN 1.019 nan 8.190 nan 0.000 0.480 461 G N 2.793 111.374 108.800 -0.365 0.000 2.661 461 G HA2 0.172 -4.781 3.960 -14.855 0.000 0.272 461 G HA3 0.172 -4.781 3.960 -14.855 0.000 0.272 461 G C 1.162 176.054 174.900 -0.014 0.000 1.296 461 G CA 0.143 45.077 45.100 -0.278 0.000 0.998 461 G HN 0.677 nan 8.290 nan 0.000 0.553 462 V N -0.794 119.205 119.914 0.142 0.000 2.913 462 V HA 0.092 -4.701 4.120 -14.855 0.000 0.260 462 V C 1.075 177.236 176.094 0.111 0.000 1.098 462 V CA 2.021 64.477 62.300 0.261 0.000 1.121 462 V CB -0.106 31.899 31.823 0.303 0.000 0.714 462 V HN 0.485 nan 8.190 nan 0.000 0.487 463 S N 0.029 115.744 115.700 0.025 0.000 2.512 463 S HA 0.540 -3.903 4.470 -14.855 0.000 0.161 463 S C 0.449 175.031 174.600 -0.029 0.000 1.383 463 S CA 0.099 58.303 58.200 0.006 0.000 1.248 463 S CB 0.722 63.922 63.200 -0.000 0.000 1.488 463 S HN 1.005 nan 8.310 nan 0.000 0.382 464 G N 2.487 111.269 108.800 -0.030 0.000 2.160 464 G HA2 -0.210 -5.163 3.960 -14.855 0.000 0.244 464 G HA3 -0.210 -5.163 3.960 -14.855 0.000 0.244 464 G C -0.377 174.486 174.900 -0.062 0.000 1.022 464 G CA 0.155 45.233 45.100 -0.036 0.000 0.741 464 G HN 0.660 nan 8.290 nan 0.000 0.508 465 E N 0.405 120.543 120.200 -0.102 0.000 2.185 465 E HA 0.504 -4.059 4.350 -14.855 0.000 0.261 465 E C -0.595 175.908 176.600 -0.161 0.000 0.879 465 E CA -1.032 55.293 56.400 -0.124 0.000 0.756 465 E CB 1.844 31.445 29.700 -0.164 0.000 1.152 465 E HN 0.150 nan 8.360 nan 0.000 0.416 466 E N 2.214 122.361 120.200 -0.088 0.000 2.480 466 E HA 0.089 -4.474 4.350 -14.855 0.000 0.258 466 E C -0.657 175.891 176.600 -0.087 0.000 0.984 466 E CA 0.131 56.499 56.400 -0.053 0.000 0.930 466 E CB 1.498 31.246 29.700 0.079 0.000 0.936 466 E HN 0.320 nan 8.360 nan 0.000 0.466 467 V N 6.767 126.555 119.914 -0.211 0.000 2.376 467 V HA 0.435 -4.358 4.120 -14.855 0.000 0.287 467 V C -0.305 175.665 176.094 -0.207 0.000 1.015 467 V CA -0.669 61.438 62.300 -0.321 0.000 0.834 467 V CB 0.784 32.273 31.823 -0.557 0.000 1.001 467 V HN 0.564 nan 8.190 nan 0.000 0.428 468 W N 4.571 125.515 121.300 -0.594 0.000 3.025 468 W HA 0.761 -3.492 4.660 -14.854 0.000 0.343 468 W C -2.540 173.432 176.519 -0.912 0.000 1.246 468 W CA -1.425 55.485 57.345 -0.726 0.000 1.178 468 W CB 1.396 30.724 29.460 -0.221 0.000 1.463 468 W HN 0.342 nan 8.180 nan 0.000 0.578 469 F N 2.278 122.397 119.950 0.281 0.000 2.507 469 F HA 0.289 -4.098 4.527 -14.857 0.000 0.325 469 F C 0.555 176.502 175.800 0.244 0.000 1.116 469 F CA -0.801 57.231 58.000 0.053 0.000 0.930 469 F CB 1.176 40.216 39.000 0.068 0.000 1.146 469 F HN 0.172 nan 8.300 nan 0.000 0.447 470 D N 1.230 121.765 120.400 0.225 0.000 2.398 470 D HA 0.059 -4.214 4.640 -14.855 0.000 0.247 470 D C 1.148 177.583 176.300 0.224 0.000 1.227 470 D CA -0.328 53.869 54.000 0.327 0.000 0.980 470 D CB 0.549 41.483 40.800 0.222 0.000 1.106 470 D HN 0.811 nan 8.370 nan 0.000 0.493 471 E N 0.802 121.108 120.200 0.177 0.000 2.086 471 E HA -0.352 -4.915 4.350 -14.855 0.000 0.200 471 E C 1.548 178.198 176.600 0.083 0.000 1.012 471 E CA 1.267 57.732 56.400 0.109 0.000 0.812 471 E CB -0.326 29.421 29.700 0.078 0.000 0.743 471 E HN 0.477 nan 8.360 nan 0.000 0.453 472 K N -0.046 120.404 120.400 0.083 0.000 2.009 472 K HA -0.105 -4.698 4.320 -14.855 0.000 0.210 472 K C 1.776 178.427 176.600 0.087 0.000 1.049 472 K CA 1.618 57.945 56.287 0.068 0.000 0.929 472 K CB -0.136 32.401 32.500 0.062 0.000 0.714 472 K HN 0.485 nan 8.250 nan 0.000 0.440 473 G N -0.247 108.619 108.800 0.110 0.000 3.611 473 G HA2 -0.113 -5.066 3.960 -14.855 0.000 0.217 473 G HA3 -0.113 -5.066 3.960 -14.855 0.000 0.217 473 G C -0.376 174.612 174.900 0.148 0.000 1.023 473 G CA -0.390 44.785 45.100 0.125 0.000 0.887 473 G HN 0.122 nan 8.290 nan 0.000 0.420 474 D N 1.173 121.637 120.400 0.106 0.000 2.369 474 D HA 0.613 -3.661 4.640 -14.855 0.000 0.241 474 D C 0.725 176.994 176.300 -0.052 0.000 1.271 474 D CA 1.004 55.035 54.000 0.052 0.000 0.942 474 D CB 1.452 42.264 40.800 0.020 0.000 1.129 474 D HN 0.613 nan 8.370 nan 0.000 0.476 475 A N 0.324 123.044 122.820 -0.167 0.000 2.486 475 A HA 0.653 -3.940 4.320 -14.855 0.000 0.277 475 A C -2.645 174.658 177.584 -0.467 0.000 1.282 475 A CA -0.945 50.813 52.037 -0.464 0.000 0.784 475 A CB 0.974 19.723 19.000 -0.418 0.000 1.350 475 A HN 0.394 nan 8.150 nan 0.000 0.454 476 P HA 0.448 nan 4.420 nan 0.000 0.282 476 P C -0.308 176.885 177.300 -0.178 0.000 1.274 476 P CA 0.341 63.219 63.100 -0.370 0.000 0.770 476 P CB 0.958 32.438 31.700 -0.368 0.000 0.867 477 G N 3.474 112.201 108.800 -0.121 0.000 2.701 477 G HA2 0.722 -4.231 3.960 -14.855 0.000 0.300 477 G HA3 0.722 -4.231 3.960 -14.855 0.000 0.300 477 G C -1.158 173.575 174.900 -0.278 0.000 1.410 477 G CA -0.913 44.098 45.100 -0.147 0.000 1.014 477 G HN 0.603 nan 8.290 nan 0.000 0.509 478 R N 0.373 120.652 120.500 -0.369 0.000 2.626 478 R HA 0.678 -3.895 4.340 -14.855 0.000 0.274 478 R C -1.775 174.322 176.300 -0.339 0.000 1.031 478 R CA -1.063 54.755 56.100 -0.469 0.000 0.898 478 R CB 1.568 31.590 30.300 -0.464 0.000 1.222 478 R HN 0.577 nan 8.270 nan 0.000 0.455 479 Y N -0.799 119.613 120.300 0.188 0.000 2.576 479 Y HA 0.512 -3.852 4.550 -14.856 0.000 0.346 479 Y C -0.729 175.278 175.900 0.177 0.000 1.018 479 Y CA -1.529 56.654 58.100 0.139 0.000 1.050 479 Y CB 1.223 39.741 38.460 0.096 0.000 1.280 479 Y HN 0.460 nan 8.280 nan 0.000 0.474 480 D N 1.718 122.293 120.400 0.292 0.000 2.326 480 D HA 0.395 -3.878 4.640 -14.855 0.000 0.251 480 D C -0.353 176.057 176.300 0.183 0.000 1.023 480 D CA -0.310 53.839 54.000 0.248 0.000 0.966 480 D CB 2.056 42.906 40.800 0.084 0.000 1.156 480 D HN 0.301 nan 8.370 nan 0.000 0.494 481 I N 0.975 121.682 120.570 0.228 0.000 2.331 481 I HA 0.247 -4.496 4.170 -14.855 0.000 0.292 481 I C 0.191 176.401 176.117 0.154 0.000 0.998 481 I CA -0.468 60.935 61.300 0.171 0.000 1.267 481 I CB 0.666 38.784 38.000 0.196 0.000 1.386 481 I HN 0.140 nan 8.210 nan 0.000 0.476 482 M N 5.476 125.127 119.600 0.085 0.000 2.508 482 M HA 0.410 -4.023 4.480 -14.855 0.000 0.327 482 M C -0.390 175.946 176.300 0.060 0.000 1.160 482 M CA -0.592 54.758 55.300 0.083 0.000 0.980 482 M CB 1.429 34.063 32.600 0.056 0.000 1.693 482 M HN 0.545 nan 8.290 nan 0.000 0.452 483 N N 1.092 119.827 118.700 0.059 0.000 2.225 483 N HA 0.639 -3.534 4.740 -14.855 0.000 0.298 483 N C -2.028 173.403 175.510 -0.130 0.000 1.076 483 N CA -0.637 52.398 53.050 -0.025 0.000 0.792 483 N CB 2.238 40.750 38.487 0.042 0.000 1.498 483 N HN 0.499 nan 8.380 nan 0.000 0.474 484 L N 2.984 124.040 121.223 -0.277 0.000 2.313 484 L HA 0.495 -4.078 4.340 -14.855 0.000 0.283 484 L C -0.910 175.899 176.870 -0.101 0.000 1.013 484 L CA 0.093 54.702 54.840 -0.384 0.000 0.816 484 L CB 1.110 42.718 42.059 -0.753 0.000 1.236 484 L HN 0.684 nan 8.230 nan 0.000 0.419 485 Q N 3.300 123.128 119.800 0.048 0.000 2.737 485 Q HA 0.300 -4.273 4.340 -14.855 0.000 0.307 485 Q C -1.629 174.568 176.000 0.328 0.000 0.905 485 Q CA -0.972 54.958 55.803 0.210 0.000 0.753 485 Q CB 1.204 30.016 28.738 0.123 0.000 1.463 485 Q HN 0.444 nan 8.270 nan 0.000 0.455 486 Y N 2.971 123.308 120.300 0.063 0.000 2.477 486 Y HA 0.247 -4.117 4.550 -14.856 0.000 0.349 486 Y C 0.251 176.093 175.900 -0.096 0.000 0.977 486 Y CA -0.166 57.828 58.100 -0.177 0.000 1.214 486 Y CB 0.323 38.648 38.460 -0.226 0.000 1.124 486 Y HN 0.803 nan 8.280 nan 0.000 0.521 487 T N 1.667 116.092 114.554 -0.216 0.000 3.449 487 T HA 0.012 -4.551 4.350 -14.855 0.000 0.387 487 T C 1.292 175.743 174.700 -0.416 0.000 1.222 487 T CA 0.413 62.377 62.100 -0.227 0.000 1.008 487 T CB 0.279 69.075 68.868 -0.120 0.000 1.688 487 T HN 0.589 nan 8.240 nan 0.000 0.542 488 E N 1.111 121.153 120.200 -0.263 0.000 2.060 488 E HA 0.141 -4.422 4.350 -14.855 0.000 0.189 488 E C 1.220 177.655 176.600 -0.276 0.000 0.974 488 E CA 0.708 56.959 56.400 -0.249 0.000 0.808 488 E CB -1.099 28.521 29.700 -0.133 0.000 0.768 488 E HN 0.772 nan 8.360 nan 0.000 0.453 489 A N 1.620 124.318 122.820 -0.203 0.000 2.407 489 A HA 0.089 -4.504 4.320 -14.855 0.000 0.248 489 A C 0.277 177.728 177.584 -0.222 0.000 1.082 489 A CA -0.035 51.909 52.037 -0.154 0.000 0.785 489 A CB -0.463 18.491 19.000 -0.076 0.000 1.020 489 A HN 0.409 nan 8.150 nan 0.000 0.489 490 N N 0.621 119.250 118.700 -0.118 0.000 2.429 490 N HA 0.137 -4.036 4.740 -14.855 0.000 0.298 490 N C -0.283 175.281 175.510 0.090 0.000 1.256 490 N CA 0.058 53.120 53.050 0.020 0.000 1.090 490 N CB -0.133 38.408 38.487 0.089 0.000 1.477 490 N HN 0.574 nan 8.380 nan 0.000 0.491 491 R N 3.095 123.640 120.500 0.074 0.000 2.563 491 R HA 0.128 -4.445 4.340 -14.855 0.000 0.262 491 R C -2.192 174.157 176.300 0.081 0.000 1.128 491 R CA -0.617 55.535 56.100 0.086 0.000 0.969 491 R CB -0.094 30.240 30.300 0.057 0.000 1.251 491 R HN 0.095 nan 8.270 nan 0.000 0.442 492 Y N 2.976 123.403 120.300 0.212 0.000 2.584 492 Y HA 0.286 -4.077 4.550 -14.857 0.000 0.351 492 Y C 0.032 175.975 175.900 0.072 0.000 1.030 492 Y CA 0.440 58.620 58.100 0.133 0.000 1.332 492 Y CB 0.671 39.167 38.460 0.059 0.000 1.148 492 Y HN 0.432 nan 8.280 nan 0.000 0.528 493 D N 1.900 122.413 120.400 0.187 0.000 2.252 493 D HA 0.146 -4.127 4.640 -14.855 0.000 0.245 493 D C -0.885 175.468 176.300 0.088 0.000 1.009 493 D CA -0.598 53.490 54.000 0.147 0.000 0.870 493 D CB 1.364 42.231 40.800 0.112 0.000 1.251 493 D HN 0.340 nan 8.370 nan 0.000 0.460 494 Y N 0.582 120.908 120.300 0.043 0.000 2.436 494 Y HA 0.187 -4.175 4.550 -14.854 0.000 0.336 494 Y C 0.394 176.305 175.900 0.017 0.000 1.049 494 Y CA -0.075 58.022 58.100 -0.006 0.000 1.294 494 Y CB 0.782 39.211 38.460 -0.051 0.000 1.179 494 Y HN -0.048 nan 8.280 nan 0.000 0.520 495 V N 4.144 124.145 119.914 0.144 0.000 2.435 495 V HA 0.142 -4.651 4.120 -14.855 0.000 0.290 495 V C -0.150 176.054 176.094 0.184 0.000 1.030 495 V CA -1.095 61.289 62.300 0.141 0.000 0.881 495 V CB 1.188 33.070 31.823 0.099 0.000 0.983 495 V HN 0.726 nan 8.190 nan 0.000 0.445 496 H N 3.572 122.686 119.070 0.073 0.000 2.899 496 H HA 0.371 -3.985 4.556 -14.854 0.000 0.303 496 H C 0.469 175.828 175.328 0.053 0.000 1.042 496 H CA -0.162 55.924 56.048 0.064 0.000 1.479 496 H CB 1.301 31.096 29.762 0.055 0.000 1.493 496 H HN 0.597 nan 8.280 nan 0.000 0.534 497 V N 1.911 122.014 119.914 0.315 0.000 3.111 497 V HA 0.597 -4.196 4.120 -14.855 0.000 0.343 497 V C 0.296 176.449 176.094 0.098 0.000 1.417 497 V CA 0.385 62.760 62.300 0.126 0.000 1.142 497 V CB 0.301 32.196 31.823 0.119 0.000 1.114 497 V HN 0.945 nan 8.190 nan 0.000 0.520 498 G N 0.177 109.062 108.800 0.142 0.000 2.352 498 G HA2 0.487 -4.466 3.960 -14.855 0.000 0.305 498 G HA3 0.487 -4.466 3.960 -14.855 0.000 0.305 498 G C -0.692 174.368 174.900 0.266 0.000 1.537 498 G CA 0.250 45.420 45.100 0.117 0.000 0.959 498 G HN 1.168 nan 8.290 nan 0.000 0.668 499 T N -2.780 111.907 114.554 0.222 0.000 2.838 499 T HA 0.764 -3.799 4.350 -14.855 0.000 0.292 499 T C -1.638 173.263 174.700 0.334 0.000 1.113 499 T CA -0.742 61.539 62.100 0.300 0.000 1.008 499 T CB 2.609 71.620 68.868 0.239 0.000 1.259 499 T HN 1.417 nan 8.240 nan 0.000 0.520 500 W N 1.147 122.545 121.300 0.163 0.000 2.728 500 W HA 0.511 -3.742 4.660 -14.855 0.000 0.324 500 W C -1.346 175.276 176.519 0.172 0.000 1.012 500 W CA -0.514 56.937 57.345 0.177 0.000 1.279 500 W CB 0.988 30.600 29.460 0.253 0.000 1.289 500 W HN 0.997 nan 8.180 nan 0.000 0.418 501 H N 4.772 123.651 119.070 -0.317 0.000 2.860 501 H HA 0.209 -4.148 4.556 -14.854 0.000 0.312 501 H C -0.271 174.731 175.328 -0.545 0.000 0.995 501 H CA -0.488 55.401 56.048 -0.266 0.000 1.311 501 H CB 0.917 30.601 29.762 -0.130 0.000 1.478 501 H HN 0.582 nan 8.280 nan 0.000 0.508 502 E N 3.423 123.383 120.200 -0.399 0.000 2.313 502 E HA -0.235 -4.798 4.350 -14.855 0.000 0.190 502 E C 1.013 177.216 176.600 -0.660 0.000 1.406 502 E CA 0.587 56.742 56.400 -0.407 0.000 0.668 502 E CB -1.222 28.264 29.700 -0.357 0.000 1.135 502 E HN 1.209 nan 8.360 nan 0.000 0.375 503 G N -0.792 107.270 108.800 -1.231 0.000 2.377 503 G HA2 -0.408 -5.361 3.960 -14.855 0.000 0.250 503 G HA3 -0.408 -5.361 3.960 -14.855 0.000 0.250 503 G C 0.526 175.038 174.900 -0.646 0.000 1.039 503 G CA 0.225 45.032 45.100 -0.489 0.000 0.625 503 G HN 0.548 nan 8.290 nan 0.000 0.526 504 V N 2.120 121.547 119.914 -0.812 0.000 2.415 504 V HA 0.499 -4.295 4.120 -14.855 0.000 0.267 504 V C 0.434 176.149 176.094 -0.631 0.000 1.042 504 V CA -0.037 61.947 62.300 -0.527 0.000 1.000 504 V CB 1.220 32.827 31.823 -0.360 0.000 1.015 504 V HN 0.496 nan 8.190 nan 0.000 0.478 505 L N 6.436 127.484 121.223 -0.292 0.000 2.264 505 L HA 0.556 -4.017 4.340 -14.855 0.000 0.289 505 L C -0.140 176.733 176.870 0.005 0.000 1.044 505 L CA 0.335 55.155 54.840 -0.034 0.000 0.807 505 L CB 1.105 43.302 42.059 0.229 0.000 1.192 505 L HN 0.528 nan 8.230 nan 0.000 0.425 506 N N 6.039 124.770 118.700 0.052 0.000 2.524 506 N HA 0.459 -3.714 4.740 -14.855 0.000 0.261 506 N C -0.940 174.602 175.510 0.054 0.000 0.998 506 N CA -0.221 52.846 53.050 0.027 0.000 0.915 506 N CB 1.124 39.614 38.487 0.006 0.000 1.187 506 N HN 0.599 nan 8.380 nan 0.000 0.507 507 I N -0.084 120.504 120.570 0.030 0.000 3.076 507 I HA 0.285 -4.459 4.170 -14.855 0.000 0.313 507 I C 0.292 176.379 176.117 -0.051 0.000 1.053 507 I CA -0.766 60.552 61.300 0.030 0.000 1.048 507 I CB 1.532 39.577 38.000 0.076 0.000 1.264 507 I HN 0.243 nan 8.210 nan 0.000 0.498 508 D N 1.966 122.310 120.400 -0.093 0.000 2.460 508 D HA 0.094 -4.180 4.640 -14.855 0.000 0.268 508 D C 0.394 176.559 176.300 -0.225 0.000 1.153 508 D CA -0.254 53.578 54.000 -0.280 0.000 0.929 508 D CB 0.502 41.052 40.800 -0.418 0.000 1.015 508 D HN 0.388 nan 8.370 nan 0.000 0.502 509 D N 1.229 121.569 120.400 -0.100 0.000 2.191 509 D HA -0.288 -4.561 4.640 -14.855 0.000 0.190 509 D C 1.696 178.015 176.300 0.031 0.000 1.007 509 D CA 1.593 55.597 54.000 0.006 0.000 0.865 509 D CB -0.154 40.676 40.800 0.050 0.000 0.929 509 D HN 0.673 nan 8.370 nan 0.000 0.447 510 Y N 0.620 120.940 120.300 0.032 0.000 2.352 510 Y HA 0.085 -4.279 4.550 -14.855 0.000 0.292 510 Y C 1.753 177.665 175.900 0.021 0.000 1.136 510 Y CA 0.652 58.765 58.100 0.021 0.000 1.227 510 Y CB -0.644 37.825 38.460 0.015 0.000 0.991 510 Y HN -0.171 nan 8.280 nan 0.000 0.545 511 K N 0.614 121.061 120.400 0.078 0.000 2.487 511 K HA 0.223 -4.370 4.320 -14.855 0.000 0.192 511 K C 0.182 176.828 176.600 0.078 0.000 1.027 511 K CA 0.192 56.549 56.287 0.117 0.000 1.054 511 K CB 0.137 32.636 32.500 -0.001 0.000 0.824 511 K HN 0.339 nan 8.250 nan 0.000 0.510 512 I N 0.000 120.605 120.570 0.058 0.000 2.984 512 I HA 0.000 -4.743 4.170 -14.855 0.000 0.288 512 I CA 0.000 61.327 61.300 0.044 0.000 1.566 512 I CB 0.000 38.015 38.000 0.025 0.000 1.214 512 I HN 0.000 nan 8.210 nan 0.000 0.494