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_B 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 0.000 176.326 176.300 0.044 0.000 0.893 36 R CA 0.000 56.133 56.100 0.054 0.000 0.921 36 R CB 0.000 30.330 30.300 0.051 0.000 0.687 37 S N 2.510 118.249 115.700 0.064 0.000 2.516 37 S HA 0.295 4.764 4.470 -0.002 0.000 0.282 37 S C -0.253 174.272 174.600 -0.124 0.000 1.286 37 S CA -0.209 57.946 58.200 -0.075 0.000 1.066 37 S CB 0.976 64.051 63.200 -0.208 0.000 0.884 37 S HN 0.294 nan 8.310 nan 0.000 0.491 38 V N 2.268 122.057 119.914 -0.209 0.000 2.815 38 V HA 0.746 4.865 4.120 -0.002 0.000 0.314 38 V C 0.024 175.977 176.094 -0.234 0.000 1.064 38 V CA -1.076 61.137 62.300 -0.145 0.000 0.952 38 V CB 1.933 33.736 31.823 -0.034 0.000 1.020 38 V HN 0.883 nan 8.190 nan 0.000 0.439 39 A N 4.295 127.068 122.820 -0.078 0.000 2.280 39 A HA 0.694 5.012 4.320 -0.002 0.000 0.320 39 A C 0.043 177.796 177.584 0.281 0.000 1.366 39 A CA -0.508 51.597 52.037 0.115 0.000 0.938 39 A CB 0.158 19.303 19.000 0.243 0.000 1.157 39 A HN 0.798 nan 8.150 nan 0.000 0.536 40 R N 1.485 122.106 120.500 0.202 0.000 2.720 40 R HA 0.776 5.115 4.340 -0.002 0.000 0.272 40 R C -0.700 175.688 176.300 0.147 0.000 0.991 40 R CA -0.607 55.596 56.100 0.172 0.000 1.010 40 R CB 2.004 32.340 30.300 0.061 0.000 1.141 40 R HN 0.814 nan 8.270 nan 0.000 0.494 41 M N 1.187 120.865 119.600 0.129 0.000 2.365 41 M HA 0.262 4.741 4.480 -0.002 0.000 0.287 41 M C -2.020 174.300 176.300 0.033 0.000 1.154 41 M CA -0.646 54.678 55.300 0.040 0.000 0.941 41 M CB 2.582 35.243 32.600 0.102 0.000 1.704 41 M HN 0.463 nan 8.290 nan 0.000 0.479 42 D N 2.196 122.590 120.400 -0.008 0.000 2.181 42 D HA 0.878 5.517 4.640 -0.002 0.000 0.248 42 D C -0.282 176.009 176.300 -0.014 0.000 1.020 42 D CA 0.430 54.426 54.000 -0.006 0.000 0.891 42 D CB 2.033 42.823 40.800 -0.017 0.000 1.187 42 D HN 0.834 nan 8.370 nan 0.000 0.443 43 G N 1.404 110.197 108.800 -0.012 0.000 2.694 43 G HA2 0.081 4.040 3.960 -0.002 0.000 0.246 43 G HA3 0.081 4.040 3.960 -0.002 0.000 0.246 43 G C -0.114 174.772 174.900 -0.024 0.000 1.205 43 G CA -0.289 44.797 45.100 -0.023 0.000 0.891 43 G HN 0.439 nan 8.290 nan 0.000 0.515 44 D N -0.986 119.394 120.400 -0.034 0.000 2.269 44 D HA 0.143 4.782 4.640 -0.002 0.000 0.220 44 D C 0.548 176.831 176.300 -0.028 0.000 0.962 44 D CA 1.188 55.167 54.000 -0.035 0.000 0.884 44 D CB 0.914 41.684 40.800 -0.052 0.000 1.023 44 D HN 0.081 nan 8.370 nan 0.000 0.484 45 V N 3.017 122.910 119.914 -0.034 0.000 2.448 45 V HA 0.275 4.393 4.120 -0.002 0.000 0.295 45 V C -0.222 175.864 176.094 -0.013 0.000 1.025 45 V CA -0.787 61.498 62.300 -0.025 0.000 0.859 45 V CB 2.427 34.226 31.823 -0.040 0.000 0.988 45 V HN -0.012 nan 8.190 nan 0.000 0.431 46 I N 5.487 126.059 120.570 0.003 0.000 2.321 46 I HA 0.465 4.634 4.170 -0.002 0.000 0.291 46 I C -0.098 176.028 176.117 0.015 0.000 0.998 46 I CA -0.638 60.676 61.300 0.023 0.000 1.227 46 I CB 1.353 39.380 38.000 0.046 0.000 1.368 46 I HN 0.472 nan 8.210 nan 0.000 0.466 47 I N 5.625 126.202 120.570 0.011 0.000 2.307 47 I HA 0.313 4.482 4.170 -0.002 0.000 0.287 47 I C 1.071 177.183 176.117 -0.008 0.000 1.054 47 I CA -0.324 60.965 61.300 -0.019 0.000 1.218 47 I CB 1.161 39.143 38.000 -0.029 0.000 1.398 47 I HN 0.666 nan 8.210 nan 0.000 0.475 48 G N 4.629 113.400 108.800 -0.048 0.000 2.569 48 G HA2 0.605 4.564 3.960 -0.002 0.000 0.249 48 G HA3 0.605 4.564 3.960 -0.002 0.000 0.249 48 G C -0.452 174.377 174.900 -0.118 0.000 1.216 48 G CA -0.101 44.996 45.100 -0.005 0.000 0.845 48 G HN 0.752 nan 8.290 nan 0.000 0.568 49 A N 0.468 123.282 122.820 -0.010 0.000 2.587 49 A HA 0.735 5.053 4.320 -0.002 0.000 0.293 49 A C -1.009 176.489 177.584 -0.142 0.000 1.087 49 A CA -0.655 51.264 52.037 -0.198 0.000 0.692 49 A CB 1.326 20.135 19.000 -0.317 0.000 1.291 49 A HN 0.743 nan 8.150 nan 0.000 0.407 50 L N 1.440 122.457 121.223 -0.344 0.000 2.388 50 L HA 0.533 4.871 4.340 -0.002 0.000 0.267 50 L C -1.579 175.092 176.870 -0.332 0.000 0.995 50 L CA -0.073 54.655 54.840 -0.186 0.000 0.864 50 L CB 0.896 42.923 42.059 -0.053 0.000 1.216 50 L HN 0.613 nan 8.230 nan 0.000 0.430 51 F N 0.392 120.372 119.950 0.049 0.000 2.470 51 F HA 0.343 4.869 4.527 -0.002 0.000 0.329 51 F C 0.924 176.723 175.800 -0.002 0.000 1.072 51 F CA -0.680 57.344 58.000 0.040 0.000 0.989 51 F CB 2.093 41.106 39.000 0.022 0.000 1.193 51 F HN 0.245 nan 8.300 nan 0.000 0.481 52 S N 1.508 117.368 115.700 0.266 0.000 2.416 52 S HA 0.326 4.795 4.470 -0.002 0.000 0.302 52 S C 0.488 175.142 174.600 0.090 0.000 1.120 52 S CA -0.559 57.765 58.200 0.207 0.000 1.067 52 S CB -0.101 63.368 63.200 0.449 0.000 1.057 52 S HN 0.462 nan 8.310 nan 0.000 0.518 53 V N 4.495 124.343 119.914 -0.110 0.000 3.307 53 V HA 0.266 4.384 4.120 -0.002 0.000 0.253 53 V C 0.320 176.400 176.094 -0.024 0.000 1.149 53 V CA 0.460 62.589 62.300 -0.286 0.000 1.112 53 V CB -0.650 30.609 31.823 -0.941 0.000 0.777 53 V HN 0.724 nan 8.190 nan 0.000 0.464 54 H N -0.958 118.003 119.070 -0.182 0.000 2.690 54 H HA 0.584 5.139 4.556 -0.003 0.000 0.368 54 H C -0.200 175.104 175.328 -0.041 0.000 1.150 54 H CA -1.423 54.569 56.048 -0.093 0.000 1.174 54 H CB 0.812 30.546 29.762 -0.047 0.000 1.684 54 H HN 0.134 nan 8.280 nan 0.000 0.538 55 H N 1.430 120.569 119.070 0.116 0.000 2.852 55 H HA -0.000 4.554 4.556 -0.003 0.000 0.362 55 H C 0.638 176.031 175.328 0.108 0.000 1.122 55 H CA 0.041 56.142 56.048 0.088 0.000 1.419 55 H CB 0.935 30.701 29.762 0.007 0.000 1.401 55 H HN 0.584 nan 8.280 nan 0.000 0.609 56 Q N 2.779 122.750 119.800 0.286 0.000 2.421 56 Q HA 0.183 4.521 4.340 -0.002 0.000 0.255 56 Q C -2.696 173.361 176.000 0.096 0.000 1.013 56 Q CA -1.661 54.258 55.803 0.195 0.000 0.895 56 Q CB -0.235 28.669 28.738 0.277 0.000 1.271 56 Q HN 0.247 nan 8.270 nan 0.000 0.460 57 P HA 0.234 nan 4.420 nan 0.000 0.271 57 P C -2.406 174.882 177.300 -0.021 0.000 1.216 57 P CA -1.095 61.993 63.100 -0.019 0.000 0.771 57 P CB -0.225 31.438 31.700 -0.062 0.000 0.864 58 P HA -0.034 nan 4.420 nan 0.000 0.268 58 P C 0.768 178.062 177.300 -0.009 0.000 1.208 58 P CA 0.129 63.224 63.100 -0.009 0.000 0.777 58 P CB 0.366 32.056 31.700 -0.017 0.000 0.875 59 A N 2.974 125.797 122.820 0.004 0.000 1.903 59 A HA -0.260 4.059 4.320 -0.002 0.000 0.219 59 A C 1.934 179.520 177.584 0.003 0.000 1.191 59 A CA 2.081 54.126 52.037 0.014 0.000 0.638 59 A CB -1.207 17.803 19.000 0.017 0.000 0.823 59 A HN 0.718 nan 8.150 nan 0.000 0.451 60 E N -0.514 119.684 120.200 -0.002 0.000 2.150 60 E HA -0.195 4.153 4.350 -0.002 0.000 0.193 60 E C 1.102 177.698 176.600 -0.008 0.000 0.985 60 E CA 1.281 57.679 56.400 -0.003 0.000 0.814 60 E CB -0.332 29.365 29.700 -0.005 0.000 0.752 60 E HN 0.398 nan 8.360 nan 0.000 0.466 61 K N 0.974 121.366 120.400 -0.013 0.000 2.487 61 K HA 0.120 4.439 4.320 -0.002 0.000 0.192 61 K C 2.064 178.648 176.600 -0.027 0.000 1.027 61 K CA 0.140 56.418 56.287 -0.016 0.000 1.054 61 K CB 0.140 32.632 32.500 -0.015 0.000 0.824 61 K HN 0.063 nan 8.250 nan 0.000 0.510 62 V N 1.806 121.697 119.914 -0.038 0.000 2.270 62 V HA -0.155 3.963 4.120 -0.002 0.000 0.245 62 V C -1.017 175.049 176.094 -0.048 0.000 1.043 62 V CA 1.672 63.927 62.300 -0.076 0.000 1.014 62 V CB -1.137 30.640 31.823 -0.076 0.000 0.645 62 V HN 0.136 nan 8.190 nan 0.000 0.447 63 P HA -0.178 nan 4.420 nan 0.000 0.222 63 P C 1.213 178.512 177.300 -0.002 0.000 1.142 63 P CA 1.510 64.609 63.100 -0.001 0.000 0.788 63 P CB -0.109 31.594 31.700 0.006 0.000 0.767 64 E N -1.404 118.792 120.200 -0.007 0.000 2.489 64 E HA 0.140 4.488 4.350 -0.002 0.000 0.204 64 E C 0.034 176.634 176.600 0.001 0.000 1.006 64 E CA -0.433 55.967 56.400 -0.000 0.000 0.936 64 E CB -0.099 29.603 29.700 0.003 0.000 1.002 64 E HN -0.101 nan 8.360 nan 0.000 0.488 65 R N 1.288 121.779 120.500 -0.016 0.000 3.144 65 R HA -0.142 4.196 4.340 -0.002 0.000 0.255 65 R C -0.610 175.700 176.300 0.016 0.000 0.949 65 R CA 0.771 56.862 56.100 -0.015 0.000 0.649 65 R CB -1.577 28.724 30.300 0.001 0.000 1.229 65 R HN 0.193 nan 8.270 nan 0.000 0.440 66 K N 1.768 122.175 120.400 0.012 0.000 2.457 66 K HA 0.174 4.492 4.320 -0.002 0.000 0.226 66 K C -0.276 176.353 176.600 0.047 0.000 1.114 66 K CA -0.539 55.770 56.287 0.037 0.000 1.089 66 K CB 0.333 32.845 32.500 0.020 0.000 1.739 66 K HN 0.321 nan 8.250 nan 0.000 0.473 67 c N 2.352 121.007 118.600 0.091 0.000 2.538 67 c HA 0.023 4.591 4.570 -0.002 0.000 0.408 67 c C 1.997 176.132 174.090 0.075 0.000 1.421 67 c CA -0.253 56.146 56.329 0.117 0.000 1.642 67 c CB -0.427 42.212 42.510 0.215 0.000 2.553 67 c HN 0.976 nan 8.230 nan 0.000 0.604 68 G N 3.191 112.019 108.800 0.046 0.000 2.135 68 G HA2 -0.043 3.915 3.960 -0.002 0.000 0.169 68 G HA3 -0.043 3.915 3.960 -0.002 0.000 0.169 68 G C 0.123 174.926 174.900 -0.162 0.000 1.597 68 G CA 0.099 45.188 45.100 -0.018 0.000 0.996 68 G HN 0.855 nan 8.290 nan 0.000 0.373 69 E N -0.908 119.242 120.200 -0.085 0.000 2.318 69 E HA 0.391 4.740 4.350 -0.002 0.000 0.265 69 E C -0.133 176.332 176.600 -0.225 0.000 1.069 69 E CA -0.578 55.719 56.400 -0.171 0.000 0.893 69 E CB 1.918 31.606 29.700 -0.019 0.000 1.076 69 E HN 0.295 nan 8.360 nan 0.000 0.414 70 I N 2.071 122.535 120.570 -0.176 0.000 2.588 70 I HA 0.055 4.224 4.170 -0.002 0.000 0.283 70 I C -0.371 175.870 176.117 0.208 0.000 1.119 70 I CA 0.050 61.440 61.300 0.150 0.000 1.419 70 I CB 0.133 38.362 38.000 0.383 0.000 1.394 70 I HN 0.360 nan 8.210 nan 0.000 0.562 71 R N 6.607 127.152 120.500 0.076 0.000 2.387 71 R HA 0.192 4.531 4.340 -0.002 0.000 0.314 71 R C 0.155 176.427 176.300 -0.047 0.000 0.958 71 R CA -0.500 55.588 56.100 -0.021 0.000 0.846 71 R CB 1.799 31.987 30.300 -0.186 0.000 1.147 71 R HN 0.696 nan 8.270 nan 0.000 0.447 72 E N 2.306 122.488 120.200 -0.030 0.000 2.307 72 E HA -0.110 4.238 4.350 -0.002 0.000 0.195 72 E C 0.448 177.016 176.600 -0.053 0.000 0.975 72 E CA 0.501 56.840 56.400 -0.101 0.000 0.878 72 E CB 0.483 30.240 29.700 0.095 0.000 0.845 72 E HN 0.547 nan 8.360 nan 0.000 0.488 73 Q N 0.211 119.969 119.800 -0.069 0.000 1.921 73 Q HA -0.160 4.178 4.340 -0.002 0.000 0.208 73 Q C 1.233 177.202 176.000 -0.051 0.000 0.994 73 Q CA 2.015 57.723 55.803 -0.157 0.000 0.857 73 Q CB -0.599 27.910 28.738 -0.382 0.000 0.925 73 Q HN 0.363 nan 8.270 nan 0.000 0.421 74 Y N -0.331 119.981 120.300 0.019 0.000 2.466 74 Y HA 0.359 4.907 4.550 -0.002 0.000 0.272 74 Y C 1.505 177.460 175.900 0.092 0.000 1.169 74 Y CA 0.192 58.359 58.100 0.112 0.000 1.285 74 Y CB -0.080 38.522 38.460 0.238 0.000 1.078 74 Y HN 0.215 nan 8.280 nan 0.000 0.523 75 G N -0.490 108.377 108.800 0.111 0.000 2.534 75 G HA2 0.048 4.006 3.960 -0.002 0.000 0.220 75 G HA3 0.048 4.006 3.960 -0.002 0.000 0.220 75 G C 1.291 176.116 174.900 -0.124 0.000 1.699 75 G CA 0.065 45.163 45.100 -0.003 0.000 0.769 75 G HN 0.009 nan 8.290 nan 0.000 0.632 76 I N 1.355 121.804 120.570 -0.201 0.000 2.315 76 I HA -0.085 4.084 4.170 -0.002 0.000 0.248 76 I C 2.721 178.797 176.117 -0.068 0.000 1.117 76 I CA 1.105 62.267 61.300 -0.231 0.000 1.404 76 I CB -1.096 36.434 38.000 -0.782 0.000 1.071 76 I HN 0.313 nan 8.210 nan 0.000 0.419 77 Q N -0.034 119.705 119.800 -0.101 0.000 2.297 77 Q HA -0.180 4.158 4.340 -0.002 0.000 0.208 77 Q C 2.298 178.247 176.000 -0.085 0.000 0.981 77 Q CA 1.214 56.979 55.803 -0.063 0.000 0.876 77 Q CB 0.087 28.744 28.738 -0.136 0.000 0.921 77 Q HN 0.492 nan 8.270 nan 0.000 0.446 78 R N -0.935 119.409 120.500 -0.261 0.000 2.064 78 R HA -0.023 4.315 4.340 -0.002 0.000 0.221 78 R C 2.309 178.200 176.300 -0.682 0.000 1.136 78 R CA 1.003 56.758 56.100 -0.576 0.000 0.980 78 R CB -0.227 29.544 30.300 -0.883 0.000 0.876 78 R HN 0.045 nan 8.270 nan 0.000 0.437 79 V N 1.870 121.442 119.914 -0.570 0.000 2.317 79 V HA -0.247 3.871 4.120 -0.002 0.000 0.251 79 V C 1.996 177.985 176.094 -0.174 0.000 1.065 79 V CA 1.792 63.876 62.300 -0.361 0.000 1.049 79 V CB -0.449 31.367 31.823 -0.010 0.000 0.651 79 V HN 0.266 nan 8.190 nan 0.000 0.450 80 E N -0.138 120.173 120.200 0.185 0.000 2.418 80 E HA -0.008 4.340 4.350 -0.002 0.000 0.197 80 E C 2.128 179.036 176.600 0.514 0.000 1.026 80 E CA 1.119 57.826 56.400 0.512 0.000 0.862 80 E CB -0.149 30.028 29.700 0.795 0.000 0.799 80 E HN 0.636 nan 8.360 nan 0.000 0.518 81 A N 0.218 123.195 122.820 0.262 0.000 2.044 81 A HA 0.006 4.324 4.320 -0.002 0.000 0.213 81 A C 2.067 179.689 177.584 0.064 0.000 1.169 81 A CA 0.661 52.817 52.037 0.198 0.000 0.724 81 A CB -0.148 18.745 19.000 -0.178 0.000 0.840 81 A HN 0.193 nan 8.150 nan 0.000 0.463 82 M N -1.054 118.498 119.600 -0.080 0.000 2.254 82 M HA 0.112 4.591 4.480 -0.002 0.000 0.265 82 M C 1.536 177.879 176.300 0.071 0.000 1.066 82 M CA 1.543 56.828 55.300 -0.024 0.000 1.123 82 M CB -0.679 31.908 32.600 -0.021 0.000 1.388 82 M HN 0.404 nan 8.290 nan 0.000 0.425 83 F N -1.315 118.695 119.950 0.099 0.000 2.128 83 F HA -0.200 4.326 4.527 -0.002 0.000 0.295 83 F C 2.582 178.387 175.800 0.008 0.000 1.100 83 F CA 1.092 59.134 58.000 0.071 0.000 1.260 83 F CB -0.529 38.541 39.000 0.117 0.000 1.009 83 F HN 0.331 nan 8.300 nan 0.000 0.476 84 H N 0.155 119.269 119.070 0.073 0.000 2.293 84 H HA -0.142 4.413 4.556 -0.002 0.000 0.300 84 H C 2.134 177.396 175.328 -0.109 0.000 1.082 84 H CA 2.443 58.337 56.048 -0.257 0.000 1.308 84 H CB -0.747 28.657 29.762 -0.597 0.000 1.375 84 H HN -0.022 nan 8.280 nan 0.000 0.495 85 T N 1.295 115.707 114.554 -0.236 0.000 2.635 85 T HA -0.172 4.177 4.350 -0.002 0.000 0.267 85 T C 2.317 176.866 174.700 -0.251 0.000 1.040 85 T CA 1.689 63.631 62.100 -0.263 0.000 1.156 85 T CB -0.543 68.296 68.868 -0.048 0.000 0.863 85 T HN 0.253 nan 8.240 nan 0.000 0.430 86 L N 0.875 122.020 121.223 -0.131 0.000 2.129 86 L HA -0.173 4.165 4.340 -0.002 0.000 0.212 86 L C 2.481 179.270 176.870 -0.134 0.000 1.087 86 L CA 1.162 55.929 54.840 -0.122 0.000 0.757 86 L CB -0.605 41.452 42.059 -0.005 0.000 0.896 86 L HN 0.279 nan 8.230 nan 0.000 0.434 87 D N 0.139 120.461 120.400 -0.130 0.000 2.084 87 D HA -0.212 4.427 4.640 -0.002 0.000 0.194 87 D C 2.087 178.299 176.300 -0.147 0.000 0.990 87 D CA 1.262 55.192 54.000 -0.117 0.000 0.826 87 D CB -0.006 40.742 40.800 -0.087 0.000 0.971 87 D HN 0.102 nan 8.370 nan 0.000 0.453 88 K N 1.120 121.379 120.400 -0.234 0.000 2.362 88 K HA -0.029 4.290 4.320 -0.002 0.000 0.200 88 K C 1.847 178.357 176.600 -0.151 0.000 1.046 88 K CA 0.633 56.815 56.287 -0.174 0.000 0.952 88 K CB -0.326 32.046 32.500 -0.213 0.000 0.753 88 K HN 0.197 nan 8.250 nan 0.000 0.466 89 I N 0.090 120.530 120.570 -0.217 0.000 2.480 89 I HA -0.105 4.064 4.170 -0.002 0.000 0.251 89 I C 1.217 177.232 176.117 -0.171 0.000 1.124 89 I CA 0.474 61.626 61.300 -0.247 0.000 1.444 89 I CB -0.276 37.502 38.000 -0.369 0.000 1.098 89 I HN 0.088 nan 8.210 nan 0.000 0.428 90 N N 1.356 119.971 118.700 -0.142 0.000 2.521 90 N HA 0.028 4.767 4.740 -0.002 0.000 0.188 90 N C 1.456 176.919 175.510 -0.078 0.000 1.146 90 N CA 0.857 53.844 53.050 -0.105 0.000 0.893 90 N CB 0.343 38.777 38.487 -0.089 0.000 0.975 90 N HN 0.352 nan 8.380 nan 0.000 0.451 91 A N -0.216 122.558 122.820 -0.077 0.000 2.115 91 A HA 0.033 4.352 4.320 -0.002 0.000 0.211 91 A C 0.548 178.109 177.584 -0.039 0.000 1.169 91 A CA 0.002 52.010 52.037 -0.048 0.000 0.787 91 A CB 0.233 19.210 19.000 -0.038 0.000 0.858 91 A HN 0.070 nan 8.150 nan 0.000 0.474 92 D N 0.303 120.670 120.400 -0.055 0.000 2.295 92 D HA 0.312 4.951 4.640 -0.002 0.000 0.248 92 D C -1.688 174.586 176.300 -0.044 0.000 1.154 92 D CA -1.926 52.050 54.000 -0.039 0.000 0.857 92 D CB 1.497 42.273 40.800 -0.041 0.000 1.117 92 D HN 0.077 nan 8.370 nan 0.000 0.468 93 P HA 0.002 nan 4.420 nan 0.000 0.255 93 P C 0.856 178.149 177.300 -0.012 0.000 1.248 93 P CA 0.054 63.141 63.100 -0.021 0.000 0.807 93 P CB 0.625 32.319 31.700 -0.010 0.000 1.150 94 V N 0.043 119.952 119.914 -0.008 0.000 2.446 94 V HA -0.012 4.107 4.120 -0.002 0.000 0.244 94 V C 1.397 177.489 176.094 -0.004 0.000 1.039 94 V CA 0.887 63.194 62.300 0.011 0.000 1.045 94 V CB -0.538 31.302 31.823 0.028 0.000 0.681 94 V HN 0.075 nan 8.190 nan 0.000 0.459 95 L N -0.313 120.877 121.223 -0.054 0.000 2.334 95 L HA 0.563 4.901 4.340 -0.002 0.000 0.276 95 L C -0.156 176.618 176.870 -0.160 0.000 1.014 95 L CA -0.475 54.291 54.840 -0.123 0.000 0.815 95 L CB 1.170 43.107 42.059 -0.203 0.000 1.268 95 L HN 0.156 nan 8.230 nan 0.000 0.428 96 L N 4.729 125.832 121.223 -0.199 0.000 3.887 96 L HA -0.200 4.139 4.340 -0.002 0.000 0.546 96 L C -1.562 175.212 176.870 -0.160 0.000 1.196 96 L CA -0.274 54.438 54.840 -0.215 0.000 0.777 96 L CB -0.849 41.078 42.059 -0.220 0.000 1.346 96 L HN 0.675 nan 8.230 nan 0.000 0.810 97 P HA -0.097 nan 4.420 nan 0.000 0.215 97 P C 0.762 178.011 177.300 -0.084 0.000 1.157 97 P CA 1.655 64.705 63.100 -0.083 0.000 0.859 97 P CB 0.195 31.869 31.700 -0.045 0.000 0.786 98 N N -1.918 116.718 118.700 -0.107 0.000 2.210 98 N HA 0.165 4.904 4.740 -0.002 0.000 0.203 98 N C 0.192 175.639 175.510 -0.106 0.000 1.175 98 N CA -0.015 52.984 53.050 -0.085 0.000 0.894 98 N CB 0.120 38.573 38.487 -0.058 0.000 1.041 98 N HN 0.104 nan 8.380 nan 0.000 0.506 99 I N 1.561 122.036 120.570 -0.159 0.000 2.365 99 I HA 0.215 4.383 4.170 -0.002 0.000 0.291 99 I C 0.178 176.217 176.117 -0.130 0.000 1.004 99 I CA -0.604 60.604 61.300 -0.154 0.000 1.311 99 I CB 1.138 39.001 38.000 -0.227 0.000 1.401 99 I HN 0.051 nan 8.210 nan 0.000 0.491 100 T N 4.855 119.350 114.554 -0.098 0.000 2.859 100 T HA 0.629 4.978 4.350 -0.002 0.000 0.281 100 T C -0.531 174.123 174.700 -0.077 0.000 1.005 100 T CA -0.819 61.228 62.100 -0.087 0.000 1.025 100 T CB 1.534 70.363 68.868 -0.066 0.000 0.977 100 T HN 0.351 nan 8.240 nan 0.000 0.458 101 L N 2.689 123.865 121.223 -0.080 0.000 2.275 101 L HA 0.687 5.025 4.340 -0.002 0.000 0.288 101 L C 0.874 177.729 176.870 -0.025 0.000 1.046 101 L CA -0.629 54.175 54.840 -0.061 0.000 0.805 101 L CB 1.291 43.298 42.059 -0.086 0.000 1.193 101 L HN 1.031 nan 8.230 nan 0.000 0.426 102 G N 1.256 110.057 108.800 0.000 0.000 2.568 102 G HA2 0.698 4.657 3.960 -0.002 0.000 0.313 102 G HA3 0.698 4.657 3.960 -0.002 0.000 0.313 102 G C -1.088 173.857 174.900 0.076 0.000 1.227 102 G CA -0.387 44.736 45.100 0.037 0.000 0.979 102 G HN 0.560 nan 8.290 nan 0.000 0.486 103 S N -1.339 114.445 115.700 0.139 0.000 2.549 103 S HA 0.666 5.134 4.470 -0.002 0.000 0.280 103 S C -1.038 173.677 174.600 0.191 0.000 1.109 103 S CA -0.820 57.482 58.200 0.169 0.000 0.905 103 S CB 2.529 65.859 63.200 0.217 0.000 1.081 103 S HN 0.648 nan 8.310 nan 0.000 0.477 104 E N 1.864 122.173 120.200 0.183 0.000 2.437 104 E HA 0.446 4.795 4.350 -0.002 0.000 0.238 104 E C -1.420 175.320 176.600 0.233 0.000 0.969 104 E CA -0.444 56.075 56.400 0.197 0.000 0.759 104 E CB 0.599 30.434 29.700 0.225 0.000 1.283 104 E HN 0.701 nan 8.360 nan 0.000 0.416 105 I N 4.480 125.175 120.570 0.209 0.000 2.307 105 I HA 0.368 4.536 4.170 -0.002 0.000 0.289 105 I C 0.246 176.542 176.117 0.298 0.000 1.021 105 I CA -0.395 61.050 61.300 0.240 0.000 1.224 105 I CB 0.912 39.033 38.000 0.202 0.000 1.376 105 I HN 0.300 nan 8.210 nan 0.000 0.470 106 R N 3.360 124.023 120.500 0.273 0.000 2.732 106 R HA 0.357 4.696 4.340 -0.002 0.000 0.278 106 R C -0.861 175.571 176.300 0.220 0.000 0.976 106 R CA -1.033 55.218 56.100 0.252 0.000 0.963 106 R CB 1.632 31.982 30.300 0.083 0.000 1.150 106 R HN 0.418 nan 8.270 nan 0.000 0.478 107 D N -0.008 120.506 120.400 0.189 0.000 2.345 107 D HA 0.033 4.671 4.640 -0.002 0.000 0.247 107 D C 0.515 176.841 176.300 0.043 0.000 1.108 107 D CA 0.241 54.244 54.000 0.005 0.000 0.894 107 D CB 1.207 41.941 40.800 -0.111 0.000 1.203 107 D HN 0.520 nan 8.370 nan 0.000 0.430 108 S N 0.653 116.375 115.700 0.036 0.000 2.506 108 S HA 0.020 4.489 4.470 -0.002 0.000 0.219 108 S C 1.386 176.045 174.600 0.099 0.000 1.031 108 S CA 0.162 58.392 58.200 0.050 0.000 0.911 108 S CB -0.346 62.855 63.200 0.002 0.000 0.812 108 S HN 0.672 nan 8.310 nan 0.000 0.497 109 c N 0.939 119.617 118.600 0.130 0.000 4.265 109 c HA -0.156 4.413 4.570 -0.002 0.000 0.287 109 c C 0.703 175.008 174.090 0.359 0.000 1.451 109 c CA 0.354 56.809 56.329 0.210 0.000 1.966 109 c CB -3.032 39.574 42.510 0.161 0.000 1.302 109 c HN 0.867 nan 8.230 nan 0.000 0.794 110 W N 0.258 121.604 121.300 0.077 0.000 6.351 110 W HA -0.188 4.471 4.660 -0.002 0.000 0.403 110 W C 0.178 176.774 176.519 0.129 0.000 1.540 110 W CA 2.148 59.534 57.345 0.068 0.000 1.055 110 W CB -1.265 28.239 29.460 0.075 0.000 2.721 110 W HN 0.854 nan 8.180 nan 0.000 1.542 111 H N -0.762 118.355 119.070 0.079 0.000 3.064 111 H HA 0.198 4.753 4.556 -0.003 0.000 0.352 111 H C 0.507 175.836 175.328 0.001 0.000 1.260 111 H CA 0.356 56.444 56.048 0.067 0.000 1.160 111 H CB 1.392 31.217 29.762 0.104 0.000 1.879 111 H HN -0.252 nan 8.280 nan 0.000 0.544 112 S N 1.416 116.925 115.700 -0.319 0.000 2.489 112 S HA -0.078 4.391 4.470 -0.002 0.000 0.228 112 S C 1.708 176.371 174.600 0.106 0.000 0.995 112 S CA 1.069 59.203 58.200 -0.111 0.000 0.934 112 S CB 0.241 63.316 63.200 -0.207 0.000 0.771 112 S HN 0.522 nan 8.310 nan 0.000 0.522 113 S N 0.532 116.501 115.700 0.449 0.000 2.412 113 S HA 0.114 4.583 4.470 -0.002 0.000 0.223 113 S C 1.804 176.504 174.600 0.167 0.000 1.048 113 S CA 0.330 58.699 58.200 0.280 0.000 0.954 113 S CB -0.210 63.163 63.200 0.288 0.000 0.840 113 S HN 0.258 nan 8.310 nan 0.000 0.503 114 V N 1.997 122.010 119.914 0.165 0.000 2.626 114 V HA -0.035 4.083 4.120 -0.002 0.000 0.252 114 V C 2.466 178.614 176.094 0.090 0.000 1.067 114 V CA 1.642 63.994 62.300 0.087 0.000 1.081 114 V CB -0.619 31.244 31.823 0.067 0.000 0.686 114 V HN 0.551 nan 8.190 nan 0.000 0.468 115 A N -0.612 122.273 122.820 0.109 0.000 1.855 115 A HA -0.087 4.231 4.320 -0.002 0.000 0.213 115 A C 2.039 179.670 177.584 0.078 0.000 1.195 115 A CA 1.460 53.543 52.037 0.077 0.000 0.610 115 A CB -0.606 18.416 19.000 0.037 0.000 0.837 115 A HN 0.431 nan 8.150 nan 0.000 0.444 116 L N 0.433 121.698 121.223 0.071 0.000 2.129 116 L HA -0.216 4.123 4.340 -0.002 0.000 0.212 116 L C 2.272 179.183 176.870 0.069 0.000 1.087 116 L CA 2.628 57.506 54.840 0.065 0.000 0.757 116 L CB -0.399 41.693 42.059 0.055 0.000 0.896 116 L HN 0.661 nan 8.230 nan 0.000 0.434 117 E N -1.500 118.737 120.200 0.062 0.000 2.028 117 E HA -0.234 4.115 4.350 -0.002 0.000 0.191 117 E C 2.031 178.640 176.600 0.016 0.000 0.988 117 E CA 0.991 57.415 56.400 0.039 0.000 0.799 117 E CB -0.114 29.607 29.700 0.034 0.000 0.755 117 E HN 0.523 nan 8.360 nan 0.000 0.447 118 Q N 0.351 120.160 119.800 0.016 0.000 2.170 118 Q HA -0.090 4.249 4.340 -0.002 0.000 0.203 118 Q C 2.352 178.299 176.000 -0.089 0.000 0.976 118 Q CA 1.239 57.005 55.803 -0.063 0.000 0.858 118 Q CB -0.116 28.614 28.738 -0.014 0.000 0.907 118 Q HN 0.217 nan 8.270 nan 0.000 0.433 119 S N 0.825 116.618 115.700 0.154 0.000 2.382 119 S HA -0.080 4.389 4.470 -0.002 0.000 0.228 119 S C 1.858 176.619 174.600 0.270 0.000 1.027 119 S CA 0.571 59.022 58.200 0.418 0.000 0.991 119 S CB -0.037 63.315 63.200 0.253 0.000 0.823 119 S HN 0.270 nan 8.310 nan 0.000 0.469 120 I N 1.868 122.494 120.570 0.094 0.000 2.454 120 I HA -0.065 4.103 4.170 -0.002 0.000 0.254 120 I C 2.139 178.236 176.117 -0.034 0.000 1.156 120 I CA 1.113 62.437 61.300 0.040 0.000 1.433 120 I CB -1.042 36.972 38.000 0.023 0.000 1.082 120 I HN 0.251 nan 8.210 nan 0.000 0.432 121 E N 0.029 120.147 120.200 -0.138 0.000 2.409 121 E HA -0.153 4.195 4.350 -0.002 0.000 0.198 121 E C 2.021 178.460 176.600 -0.269 0.000 1.024 121 E CA 0.754 57.015 56.400 -0.232 0.000 0.861 121 E CB -0.108 29.395 29.700 -0.329 0.000 0.788 121 E HN 0.396 nan 8.360 nan 0.000 0.521 122 F N 0.684 120.609 119.950 -0.041 0.000 2.179 122 F HA 0.067 4.592 4.527 -0.003 0.000 0.292 122 F C 1.625 177.363 175.800 -0.103 0.000 1.089 122 F CA 0.279 58.246 58.000 -0.054 0.000 1.295 122 F CB -0.154 38.822 39.000 -0.040 0.000 1.041 122 F HN -0.100 nan 8.300 nan 0.000 0.487 123 I N 0.171 120.763 120.570 0.037 0.000 2.278 123 I HA 0.479 4.648 4.170 -0.002 0.000 0.296 123 I C -0.309 175.695 176.117 -0.188 0.000 1.121 123 I CA -0.111 61.077 61.300 -0.187 0.000 1.267 123 I CB 0.098 37.815 38.000 -0.471 0.000 1.447 123 I HN 0.070 nan 8.210 nan 0.000 0.509 155 P HA 0.421 nan 4.420 nan 0.000 0.281 155 P C -0.600 176.722 177.300 0.036 0.000 1.264 155 P CA -0.723 62.393 63.100 0.027 0.000 0.824 155 P CB 0.618 32.324 31.700 0.009 0.000 1.092 156 I N 0.857 121.458 120.570 0.052 0.000 2.474 156 I HA 0.124 4.292 4.170 -0.002 0.000 0.287 156 I C 1.486 177.594 176.117 -0.015 0.000 1.048 156 I CA -0.350 60.965 61.300 0.026 0.000 1.383 156 I CB 0.410 38.417 38.000 0.012 0.000 1.412 156 I HN 0.576 nan 8.210 nan 0.000 0.531 157 A N 5.464 128.273 122.820 -0.019 0.000 1.850 157 A HA 0.420 4.739 4.320 -0.002 0.000 0.212 157 A C 1.026 178.590 177.584 -0.033 0.000 1.208 157 A CA 1.068 53.096 52.037 -0.014 0.000 0.609 157 A CB -0.452 18.543 19.000 -0.008 0.000 0.860 157 A HN 0.766 nan 8.150 nan 0.000 0.448 158 G N -1.857 106.905 108.800 -0.064 0.000 2.659 158 G HA2 0.512 4.471 3.960 -0.002 0.000 0.296 158 G HA3 0.512 4.471 3.960 -0.002 0.000 0.296 158 G C -1.576 173.227 174.900 -0.163 0.000 1.369 158 G CA -0.306 44.741 45.100 -0.088 0.000 0.937 158 G HN 0.321 nan 8.290 nan 0.000 0.485 159 V N 2.287 122.082 119.914 -0.197 0.000 2.398 159 V HA 0.388 4.506 4.120 -0.002 0.000 0.286 159 V C -0.323 175.651 176.094 -0.200 0.000 1.026 159 V CA -0.868 61.269 62.300 -0.272 0.000 0.868 159 V CB 1.493 33.101 31.823 -0.359 0.000 0.982 159 V HN 0.542 nan 8.190 nan 0.000 0.443 160 I N 4.665 125.104 120.570 -0.219 0.000 2.304 160 I HA 0.776 4.944 4.170 -0.002 0.000 0.291 160 I C 0.748 176.703 176.117 -0.271 0.000 1.018 160 I CA 0.529 61.688 61.300 -0.235 0.000 1.260 160 I CB 0.324 38.158 38.000 -0.276 0.000 1.390 160 I HN 0.903 nan 8.210 nan 0.000 0.475 161 G N 8.528 117.267 108.800 -0.103 0.000 2.354 161 G HA2 0.065 4.023 3.960 -0.002 0.000 0.582 161 G HA3 0.065 4.023 3.960 -0.002 0.000 0.582 161 G C -3.283 171.600 174.900 -0.028 0.000 1.316 161 G CA -0.764 44.320 45.100 -0.027 0.000 0.995 161 G HN 0.370 nan 8.290 nan 0.000 0.573 162 P HA 0.411 nan 4.420 nan 0.000 0.345 162 P C 1.165 178.311 177.300 -0.257 0.000 1.344 162 P CA 1.112 64.120 63.100 -0.153 0.000 0.803 162 P CB 0.538 32.109 31.700 -0.216 0.000 1.876 163 G N -1.553 106.943 108.800 -0.506 0.000 2.656 163 G HA2 0.063 4.021 3.960 -0.002 0.000 0.211 163 G HA3 0.063 4.021 3.960 -0.002 0.000 0.211 163 G C 0.564 174.966 174.900 -0.830 0.000 1.137 163 G CA 0.425 45.055 45.100 -0.784 0.000 0.802 163 G HN 0.518 nan 8.290 nan 0.000 0.527 164 S N -0.613 114.595 115.700 -0.820 0.000 2.482 164 S HA 0.505 4.974 4.470 -0.002 0.000 0.303 164 S C 1.303 175.690 174.600 -0.355 0.000 1.091 164 S CA -0.446 57.400 58.200 -0.590 0.000 1.057 164 S CB 1.790 64.552 63.200 -0.729 0.000 1.031 164 S HN 0.105 nan 8.310 nan 0.000 0.485 165 S N 2.852 118.405 115.700 -0.246 0.000 2.356 165 S HA -0.107 4.361 4.470 -0.002 0.000 0.223 165 S C 2.088 176.550 174.600 -0.230 0.000 1.032 165 S CA 1.719 59.782 58.200 -0.229 0.000 1.005 165 S CB -0.430 62.661 63.200 -0.182 0.000 0.867 165 S HN 0.798 nan 8.310 nan 0.000 0.449 166 S N 1.455 117.046 115.700 -0.182 0.000 2.399 166 S HA -0.167 4.301 4.470 -0.002 0.000 0.235 166 S C 1.940 176.423 174.600 -0.195 0.000 1.063 166 S CA 1.713 59.815 58.200 -0.164 0.000 1.070 166 S CB -0.720 62.402 63.200 -0.129 0.000 0.904 166 S HN 0.391 nan 8.310 nan 0.000 0.456 167 V N 1.648 121.424 119.914 -0.231 0.000 2.591 167 V HA -0.056 4.063 4.120 -0.002 0.000 0.249 167 V C 2.622 178.594 176.094 -0.202 0.000 1.053 167 V CA 1.267 63.438 62.300 -0.216 0.000 1.068 167 V CB -1.327 30.338 31.823 -0.264 0.000 0.689 167 V HN 0.557 nan 8.190 nan 0.000 0.462 168 A N 0.379 123.057 122.820 -0.237 0.000 1.877 168 A HA -0.195 4.124 4.320 -0.002 0.000 0.216 168 A C 2.135 179.518 177.584 -0.333 0.000 1.186 168 A CA 1.994 53.893 52.037 -0.230 0.000 0.620 168 A CB -0.560 18.279 19.000 -0.267 0.000 0.822 168 A HN 0.406 nan 8.150 nan 0.000 0.443 169 I N 0.016 120.327 120.570 -0.432 0.000 2.127 169 I HA -0.279 3.889 4.170 -0.002 0.000 0.241 169 I C 2.695 178.641 176.117 -0.285 0.000 1.075 169 I CA 1.526 62.513 61.300 -0.522 0.000 1.334 169 I CB -0.429 37.338 38.000 -0.389 0.000 1.040 169 I HN 0.318 nan 8.210 nan 0.000 0.405 170 Q N -0.059 119.630 119.800 -0.185 0.000 2.045 170 Q HA -0.186 4.153 4.340 -0.002 0.000 0.206 170 Q C 2.488 178.443 176.000 -0.074 0.000 0.991 170 Q CA 1.872 57.613 55.803 -0.104 0.000 0.851 170 Q CB -0.996 27.689 28.738 -0.088 0.000 0.911 170 Q HN 0.394 nan 8.270 nan 0.000 0.418 171 V N 1.123 120.990 119.914 -0.079 0.000 2.223 171 V HA -0.294 3.824 4.120 -0.002 0.000 0.244 171 V C 2.512 178.585 176.094 -0.035 0.000 1.045 171 V CA 2.177 64.457 62.300 -0.033 0.000 1.000 171 V CB -0.796 31.009 31.823 -0.030 0.000 0.635 171 V HN 0.385 nan 8.190 nan 0.000 0.445 172 Q N 0.852 120.608 119.800 -0.074 0.000 2.217 172 Q HA -0.281 4.058 4.340 -0.002 0.000 0.209 172 Q C 1.798 177.781 176.000 -0.029 0.000 0.988 172 Q CA 2.581 58.359 55.803 -0.041 0.000 0.878 172 Q CB -0.881 27.785 28.738 -0.121 0.000 0.909 172 Q HN 0.740 nan 8.270 nan 0.000 0.424 173 N N -1.344 117.312 118.700 -0.073 0.000 2.149 173 N HA -0.181 4.558 4.740 -0.002 0.000 0.188 173 N C 1.440 176.952 175.510 0.004 0.000 1.019 173 N CA 1.045 54.096 53.050 0.002 0.000 0.857 173 N CB -0.094 38.386 38.487 -0.012 0.000 0.997 173 N HN 0.314 nan 8.380 nan 0.000 0.426 174 L N 0.924 122.153 121.223 0.009 0.000 1.993 174 L HA -0.003 4.335 4.340 -0.002 0.000 0.206 174 L C 1.850 178.745 176.870 0.041 0.000 1.074 174 L CA 1.280 56.144 54.840 0.040 0.000 0.746 174 L CB -0.675 41.435 42.059 0.086 0.000 0.896 174 L HN 0.175 nan 8.230 nan 0.000 0.435 175 L N -0.146 121.107 121.223 0.049 0.000 2.089 175 L HA -0.309 4.029 4.340 -0.002 0.000 0.213 175 L C 2.666 179.478 176.870 -0.097 0.000 1.079 175 L CA 1.985 56.843 54.840 0.030 0.000 0.758 175 L CB -0.919 41.138 42.059 -0.004 0.000 0.891 175 L HN 0.589 nan 8.230 nan 0.000 0.433 176 Q N 0.093 119.827 119.800 -0.112 0.000 2.437 176 Q HA -0.151 4.188 4.340 -0.002 0.000 0.210 176 Q C 1.992 177.776 176.000 -0.360 0.000 0.972 176 Q CA 1.221 56.864 55.803 -0.268 0.000 0.903 176 Q CB -0.296 28.464 28.738 0.036 0.000 0.967 176 Q HN 0.531 nan 8.270 nan 0.000 0.486 177 L N -0.828 120.210 121.223 -0.308 0.000 2.156 177 L HA 0.011 4.349 4.340 -0.002 0.000 0.208 177 L C 1.072 177.519 176.870 -0.705 0.000 1.095 177 L CA 0.881 55.411 54.840 -0.516 0.000 0.770 177 L CB -0.056 41.605 42.059 -0.664 0.000 0.914 177 L HN 0.248 nan 8.230 nan 0.000 0.439 178 F N -1.025 118.817 119.950 -0.180 0.000 2.647 178 F HA 0.149 4.675 4.527 -0.001 0.000 0.300 178 F C -0.033 175.634 175.800 -0.222 0.000 1.106 178 F CA -0.696 57.213 58.000 -0.151 0.000 1.313 178 F CB 0.164 39.111 39.000 -0.089 0.000 1.007 178 F HN -0.019 nan 8.300 nan 0.000 0.536 179 D N 1.642 121.822 120.400 -0.367 0.000 2.828 179 D HA -0.183 4.455 4.640 -0.002 0.000 0.241 179 D C -0.763 175.414 176.300 -0.205 0.000 1.142 179 D CA 0.645 54.311 54.000 -0.557 0.000 0.755 179 D CB -1.214 39.511 40.800 -0.124 0.000 1.014 179 D HN 0.148 nan 8.370 nan 0.000 0.420 180 I N 1.198 121.638 120.570 -0.217 0.000 2.355 180 I HA 0.282 4.451 4.170 -0.002 0.000 0.288 180 I C -2.000 174.160 176.117 0.071 0.000 0.999 180 I CA -2.072 59.206 61.300 -0.037 0.000 1.163 180 I CB 1.367 39.331 38.000 -0.059 0.000 1.316 180 I HN -0.203 nan 8.210 nan 0.000 0.454 181 P HA 0.111 nan 4.420 nan 0.000 0.276 181 P C -1.067 176.239 177.300 0.010 0.000 1.235 181 P CA -0.401 62.789 63.100 0.149 0.000 0.772 181 P CB 0.882 32.631 31.700 0.081 0.000 0.871 182 Q N 3.399 123.189 119.800 -0.017 0.000 2.340 182 Q HA 0.517 4.856 4.340 -0.002 0.000 0.268 182 Q C -1.368 174.482 176.000 -0.250 0.000 1.031 182 Q CA -0.768 54.972 55.803 -0.104 0.000 0.804 182 Q CB 1.318 30.039 28.738 -0.029 0.000 1.286 182 Q HN 0.420 nan 8.270 nan 0.000 0.448 183 I N 3.128 123.576 120.570 -0.204 0.000 2.355 183 I HA 0.522 4.691 4.170 -0.002 0.000 0.288 183 I C -0.309 175.715 176.117 -0.155 0.000 0.999 183 I CA -0.690 60.488 61.300 -0.202 0.000 1.163 183 I CB 1.681 39.662 38.000 -0.031 0.000 1.316 183 I HN 0.677 nan 8.210 nan 0.000 0.454 184 A N 5.759 128.422 122.820 -0.262 0.000 2.306 184 A HA 0.594 4.912 4.320 -0.002 0.000 0.330 184 A C -0.206 177.477 177.584 0.166 0.000 1.146 184 A CA -0.355 51.695 52.037 0.022 0.000 0.827 184 A CB 0.552 19.566 19.000 0.024 0.000 1.178 184 A HN 0.845 nan 8.150 nan 0.000 0.490 185 Y N -1.145 119.076 120.300 -0.132 0.000 2.471 185 Y HA 0.238 4.786 4.550 -0.003 0.000 0.249 185 Y C 1.297 177.017 175.900 -0.300 0.000 1.116 185 Y CA 0.307 58.285 58.100 -0.203 0.000 1.240 185 Y CB 0.255 38.714 38.460 -0.002 0.000 1.251 185 Y HN 0.474 nan 8.280 nan 0.000 0.527 186 S N 0.491 115.802 115.700 -0.648 0.000 2.539 186 S HA 0.485 4.953 4.470 -0.002 0.000 0.226 186 S C 1.009 175.439 174.600 -0.284 0.000 1.054 186 S CA 0.074 57.957 58.200 -0.528 0.000 0.910 186 S CB -0.026 62.744 63.200 -0.717 0.000 0.818 186 S HN 0.362 nan 8.310 nan 0.000 0.490 187 A N 2.450 125.154 122.820 -0.192 0.000 2.488 187 A HA 0.513 4.831 4.320 -0.002 0.000 0.249 187 A C 1.184 178.747 177.584 -0.035 0.000 1.083 187 A CA 0.356 52.343 52.037 -0.082 0.000 0.768 187 A CB 0.080 19.097 19.000 0.028 0.000 1.017 187 A HN 0.511 nan 8.150 nan 0.000 0.496 188 T N -0.748 113.788 114.554 -0.030 0.000 2.958 188 T HA 0.194 4.542 4.350 -0.002 0.000 0.256 188 T C 0.975 175.653 174.700 -0.037 0.000 0.983 188 T CA 0.584 62.681 62.100 -0.004 0.000 0.924 188 T CB -0.361 68.543 68.868 0.060 0.000 1.136 188 T HN 0.729 nan 8.240 nan 0.000 0.506 189 S N 0.946 116.600 115.700 -0.077 0.000 2.563 189 S HA 0.178 4.647 4.470 -0.002 0.000 0.284 189 S C 1.172 175.725 174.600 -0.080 0.000 1.331 189 S CA -0.580 57.555 58.200 -0.109 0.000 1.047 189 S CB -0.073 63.051 63.200 -0.126 0.000 0.859 189 S HN 0.290 nan 8.310 nan 0.000 0.514 190 I N 3.523 124.045 120.570 -0.080 0.000 2.830 190 I HA -0.020 4.148 4.170 -0.002 0.000 0.263 190 I C 1.941 178.037 176.117 -0.036 0.000 1.230 190 I CA 0.670 61.942 61.300 -0.047 0.000 1.480 190 I CB -0.608 37.361 38.000 -0.052 0.000 1.095 190 I HN 0.531 nan 8.210 nan 0.000 0.455 191 D N 1.156 121.530 120.400 -0.043 0.000 2.149 191 D HA -0.190 4.449 4.640 -0.002 0.000 0.194 191 D C 2.209 178.574 176.300 0.110 0.000 1.001 191 D CA 1.559 55.563 54.000 0.007 0.000 0.849 191 D CB -0.260 40.548 40.800 0.013 0.000 0.939 191 D HN 0.311 nan 8.370 nan 0.000 0.449 192 L N 0.561 121.834 121.223 0.083 0.000 2.093 192 L HA -0.091 4.248 4.340 -0.002 0.000 0.208 192 L C 2.464 179.421 176.870 0.146 0.000 1.085 192 L CA 0.862 55.800 54.840 0.163 0.000 0.755 192 L CB -0.388 41.373 42.059 -0.496 0.000 0.904 192 L HN -0.147 nan 8.230 nan 0.000 0.435 193 S N -0.942 114.798 115.700 0.066 0.000 2.440 193 S HA -0.170 4.298 4.470 -0.002 0.000 0.238 193 S C 0.986 175.586 174.600 0.001 0.000 1.010 193 S CA 0.748 58.986 58.200 0.062 0.000 0.972 193 S CB -0.530 62.691 63.200 0.036 0.000 0.774 193 S HN 0.425 nan 8.310 nan 0.000 0.501 194 D N 1.905 122.262 120.400 -0.070 0.000 2.489 194 D HA 0.014 4.653 4.640 -0.002 0.000 0.237 194 D C 0.703 176.872 176.300 -0.220 0.000 1.212 194 D CA 0.041 53.950 54.000 -0.151 0.000 1.058 194 D CB 0.040 40.714 40.800 -0.210 0.000 1.098 194 D HN -0.087 nan 8.370 nan 0.000 0.509 195 K N 1.251 121.590 120.400 -0.102 0.000 2.574 195 K HA -0.056 4.262 4.320 -0.002 0.000 0.193 195 K C 1.745 178.282 176.600 -0.105 0.000 1.035 195 K CA 0.389 56.636 56.287 -0.066 0.000 0.982 195 K CB -0.443 32.048 32.500 -0.014 0.000 0.795 195 K HN 0.575 nan 8.250 nan 0.000 0.491 196 T N -1.379 113.083 114.554 -0.154 0.000 2.701 196 T HA -0.072 4.277 4.350 -0.002 0.000 0.263 196 T C 2.070 176.669 174.700 -0.168 0.000 1.040 196 T CA 0.670 62.692 62.100 -0.131 0.000 1.147 196 T CB -0.348 68.442 68.868 -0.130 0.000 0.865 196 T HN 0.103 nan 8.240 nan 0.000 0.426 197 L N -0.526 120.475 121.223 -0.370 0.000 2.046 197 L HA 0.009 4.348 4.340 -0.002 0.000 0.208 197 L C 0.565 177.262 176.870 -0.289 0.000 1.077 197 L CA 1.131 55.653 54.840 -0.530 0.000 0.747 197 L CB -0.409 40.964 42.059 -1.143 0.000 0.896 197 L HN 0.398 nan 8.230 nan 0.000 0.432 198 Y N -1.374 118.932 120.300 0.010 0.000 2.748 198 Y HA 0.270 4.818 4.550 -0.003 0.000 0.359 198 Y C 0.953 176.929 175.900 0.127 0.000 1.030 198 Y CA -1.333 56.807 58.100 0.067 0.000 1.169 198 Y CB -0.053 38.414 38.460 0.012 0.000 1.127 198 Y HN -0.112 nan 8.280 nan 0.000 0.644 199 K N 0.307 120.858 120.400 0.251 0.000 2.211 199 K HA -0.136 4.182 4.320 -0.002 0.000 0.204 199 K C -0.066 176.537 176.600 0.005 0.000 1.047 199 K CA 1.552 57.902 56.287 0.106 0.000 0.935 199 K CB 0.083 32.637 32.500 0.089 0.000 0.728 199 K HN 0.579 nan 8.250 nan 0.000 0.452 200 Y N -0.878 119.493 120.300 0.118 0.000 2.658 200 Y HA 0.191 4.739 4.550 -0.003 0.000 0.276 200 Y C -0.505 175.462 175.900 0.112 0.000 1.167 200 Y CA -0.715 57.431 58.100 0.077 0.000 1.230 200 Y CB 0.148 38.638 38.460 0.049 0.000 1.144 200 Y HN -0.072 nan 8.280 nan 0.000 0.529 201 F N 2.778 122.800 119.950 0.120 0.000 2.436 201 F HA 0.695 5.220 4.527 -0.002 0.000 0.340 201 F C -0.760 175.068 175.800 0.047 0.000 1.113 201 F CA -1.431 56.613 58.000 0.072 0.000 1.022 201 F CB 0.684 39.733 39.000 0.082 0.000 1.128 201 F HN -0.103 nan 8.300 nan 0.000 0.466 202 L N 4.755 125.546 121.223 -0.721 0.000 2.518 202 L HA 0.762 5.100 4.340 -0.002 0.000 0.257 202 L C -1.627 174.977 176.870 -0.443 0.000 0.980 202 L CA -1.284 53.331 54.840 -0.376 0.000 0.837 202 L CB 2.427 44.367 42.059 -0.198 0.000 1.410 202 L HN 0.733 nan 8.230 nan 0.000 0.410 203 R N 0.339 120.810 120.500 -0.048 0.000 2.740 203 R HA 0.605 4.944 4.340 -0.002 0.000 0.273 203 R C -0.047 176.219 176.300 -0.057 0.000 0.998 203 R CA -0.530 55.536 56.100 -0.056 0.000 0.900 203 R CB 2.048 32.298 30.300 -0.084 0.000 1.223 203 R HN 0.594 nan 8.270 nan 0.000 0.466 204 V N -1.092 118.780 119.914 -0.071 0.000 3.646 204 V HA 0.178 4.296 4.120 -0.002 0.000 0.277 204 V C 0.529 176.550 176.094 -0.122 0.000 1.274 204 V CA 0.069 62.289 62.300 -0.134 0.000 1.164 204 V CB 0.107 32.000 31.823 0.117 0.000 0.926 204 V HN 0.424 nan 8.190 nan 0.000 0.442 205 V N 1.657 121.384 119.914 -0.312 0.000 2.667 205 V HA 0.698 4.816 4.120 -0.002 0.000 0.308 205 V C -2.434 173.539 176.094 -0.202 0.000 1.048 205 V CA -2.332 59.686 62.300 -0.471 0.000 0.928 205 V CB 2.430 33.648 31.823 -1.010 0.000 1.004 205 V HN 0.255 nan 8.190 nan 0.000 0.444 206 P HA 0.146 nan 4.420 nan 0.000 0.270 206 P C -0.435 176.871 177.300 0.010 0.000 1.223 206 P CA 0.209 63.299 63.100 -0.017 0.000 0.785 206 P CB 0.847 32.594 31.700 0.078 0.000 0.923 207 S N 0.130 115.846 115.700 0.027 0.000 2.652 207 S HA 0.128 4.596 4.470 -0.002 0.000 0.270 207 S C 1.070 175.708 174.600 0.063 0.000 1.243 207 S CA -0.495 57.727 58.200 0.036 0.000 0.999 207 S CB 0.016 63.232 63.200 0.025 0.000 0.973 207 S HN 0.280 nan 8.310 nan 0.000 0.544 208 D N 1.722 122.157 120.400 0.058 0.000 2.104 208 D HA -0.123 4.516 4.640 -0.002 0.000 0.194 208 D C 2.150 178.528 176.300 0.129 0.000 0.994 208 D CA 2.147 56.225 54.000 0.132 0.000 0.830 208 D CB -1.121 39.692 40.800 0.021 0.000 0.959 208 D HN 0.857 nan 8.370 nan 0.000 0.452 209 T N -0.143 114.452 114.554 0.068 0.000 2.751 209 T HA -0.244 4.104 4.350 -0.002 0.000 0.268 209 T C 1.988 176.691 174.700 0.006 0.000 1.045 209 T CA 1.137 63.267 62.100 0.051 0.000 1.142 209 T CB -0.505 68.378 68.868 0.025 0.000 0.851 209 T HN 0.068 nan 8.240 nan 0.000 0.474 210 L N 0.816 122.035 121.223 -0.006 0.000 2.068 210 L HA 0.144 4.483 4.340 -0.002 0.000 0.204 210 L C 2.894 179.583 176.870 -0.302 0.000 1.076 210 L CA 1.760 56.552 54.840 -0.080 0.000 0.753 210 L CB -0.914 41.162 42.059 0.028 0.000 0.910 210 L HN 0.327 nan 8.230 nan 0.000 0.439 211 Q N -0.780 118.900 119.800 -0.198 0.000 2.124 211 Q HA -0.215 4.123 4.340 -0.002 0.000 0.202 211 Q C 2.022 177.687 176.000 -0.559 0.000 0.977 211 Q CA 1.810 57.316 55.803 -0.494 0.000 0.850 211 Q CB -0.115 28.503 28.738 -0.200 0.000 0.901 211 Q HN 0.636 nan 8.270 nan 0.000 0.429 212 A N 0.811 123.449 122.820 -0.302 0.000 1.897 212 A HA -0.163 4.156 4.320 -0.002 0.000 0.215 212 A C 2.014 179.520 177.584 -0.131 0.000 1.181 212 A CA 1.331 53.212 52.037 -0.259 0.000 0.620 212 A CB -0.527 18.513 19.000 0.068 0.000 0.821 212 A HN 0.329 nan 8.150 nan 0.000 0.443 213 R N 0.599 121.005 120.500 -0.157 0.000 2.185 213 R HA -0.167 4.171 4.340 -0.002 0.000 0.247 213 R C 1.839 178.033 176.300 -0.177 0.000 1.159 213 R CA 2.106 58.134 56.100 -0.119 0.000 0.988 213 R CB -0.821 29.442 30.300 -0.061 0.000 0.871 213 R HN 0.431 nan 8.270 nan 0.000 0.458 214 A N -0.482 122.023 122.820 -0.525 0.000 1.903 214 A HA 0.017 4.335 4.320 -0.002 0.000 0.213 214 A C 2.205 179.665 177.584 -0.206 0.000 1.185 214 A CA 1.228 52.903 52.037 -0.602 0.000 0.628 214 A CB -0.285 17.921 19.000 -1.323 0.000 0.830 214 A HN 0.382 nan 8.150 nan 0.000 0.446 215 M N -0.568 118.904 119.600 -0.213 0.000 2.159 215 M HA -0.072 4.406 4.480 -0.002 0.000 0.263 215 M C 2.143 178.577 176.300 0.225 0.000 1.063 215 M CA 1.396 56.666 55.300 -0.050 0.000 1.110 215 M CB -0.342 32.127 32.600 -0.218 0.000 1.374 215 M HN 0.537 nan 8.290 nan 0.000 0.411 216 L N -0.212 121.176 121.223 0.274 0.000 2.275 216 L HA -0.201 4.138 4.340 -0.002 0.000 0.215 216 L C 1.419 178.338 176.870 0.081 0.000 1.119 216 L CA 1.340 56.266 54.840 0.142 0.000 0.790 216 L CB -0.237 41.723 42.059 -0.165 0.000 0.919 216 L HN 0.238 nan 8.230 nan 0.000 0.443 217 D N -0.191 120.261 120.400 0.086 0.000 2.271 217 D HA -0.005 4.633 4.640 -0.002 0.000 0.206 217 D C 2.196 178.543 176.300 0.078 0.000 0.967 217 D CA 0.769 54.826 54.000 0.095 0.000 0.867 217 D CB 0.295 41.216 40.800 0.202 0.000 0.960 217 D HN 0.429 nan 8.370 nan 0.000 0.509 218 I N 0.716 121.346 120.570 0.100 0.000 2.756 218 I HA -0.153 4.015 4.170 -0.002 0.000 0.262 218 I C 1.996 178.160 176.117 0.078 0.000 1.225 218 I CA 0.368 61.735 61.300 0.112 0.000 1.472 218 I CB 0.353 38.420 38.000 0.112 0.000 1.094 218 I HN -0.132 nan 8.210 nan 0.000 0.454 219 V N 0.268 120.230 119.914 0.080 0.000 2.492 219 V HA -0.119 3.999 4.120 -0.002 0.000 0.241 219 V C 2.197 178.241 176.094 -0.083 0.000 1.041 219 V CA 1.120 63.448 62.300 0.046 0.000 1.057 219 V CB -0.360 31.635 31.823 0.286 0.000 0.711 219 V HN 0.282 nan 8.190 nan 0.000 0.468 220 K N 0.302 120.683 120.400 -0.032 0.000 2.281 220 K HA -0.200 4.118 4.320 -0.002 0.000 0.203 220 K C 2.157 178.651 176.600 -0.176 0.000 1.046 220 K CA 0.978 57.223 56.287 -0.071 0.000 0.938 220 K CB -0.136 32.340 32.500 -0.040 0.000 0.737 220 K HN 0.112 nan 8.250 nan 0.000 0.458 221 R N 0.012 120.357 120.500 -0.259 0.000 2.307 221 R HA -0.062 4.277 4.340 -0.002 0.000 0.199 221 R C 0.339 176.094 176.300 -0.907 0.000 1.000 221 R CA 1.146 56.953 56.100 -0.489 0.000 1.023 221 R CB -0.013 30.012 30.300 -0.459 0.000 0.908 221 R HN 0.221 nan 8.270 nan 0.000 0.473 222 Y N -0.642 119.332 120.300 -0.544 0.000 2.675 222 Y HA 0.345 4.894 4.550 -0.003 0.000 0.248 222 Y C 0.079 175.696 175.900 -0.471 0.000 1.161 222 Y CA -0.654 57.035 58.100 -0.685 0.000 1.203 222 Y CB 0.428 37.973 38.460 -1.524 0.000 1.262 222 Y HN -0.010 nan 8.280 nan 0.000 0.544 223 N N 0.226 118.820 118.700 -0.178 0.000 2.727 223 N HA -0.194 4.544 4.740 -0.002 0.000 0.249 223 N C -1.488 174.172 175.510 0.249 0.000 1.048 223 N CA 0.701 53.770 53.050 0.032 0.000 0.714 223 N CB -0.852 37.668 38.487 0.055 0.000 0.959 223 N HN 0.334 nan 8.380 nan 0.000 0.544 224 W N 0.837 122.229 121.300 0.154 0.000 2.358 224 W HA 0.232 4.891 4.660 -0.003 0.000 0.307 224 W C 1.924 178.528 176.519 0.142 0.000 1.203 224 W CA -0.316 57.122 57.345 0.154 0.000 1.279 224 W CB -0.174 29.384 29.460 0.163 0.000 1.264 224 W HN 0.112 nan 8.180 nan 0.000 0.474 225 T N -0.147 114.627 114.554 0.366 0.000 2.837 225 T HA -0.017 4.332 4.350 -0.002 0.000 0.248 225 T C 0.345 175.197 174.700 0.254 0.000 1.033 225 T CA 0.868 63.133 62.100 0.275 0.000 1.150 225 T CB -0.472 68.571 68.868 0.292 0.000 0.865 225 T HN 0.033 nan 8.240 nan 0.000 0.425 226 Y N 2.383 122.764 120.300 0.136 0.000 2.308 226 Y HA 0.569 5.117 4.550 -0.002 0.000 0.329 226 Y C 0.229 176.207 175.900 0.129 0.000 1.111 226 Y CA -1.289 56.879 58.100 0.113 0.000 1.179 226 Y CB 1.438 39.948 38.460 0.083 0.000 1.201 226 Y HN 0.307 nan 8.280 nan 0.000 0.483 227 V N -1.016 119.046 119.914 0.247 0.000 3.216 227 V HA 0.709 4.827 4.120 -0.002 0.000 0.302 227 V C -0.640 175.570 176.094 0.193 0.000 1.286 227 V CA -1.126 61.305 62.300 0.218 0.000 1.048 227 V CB 1.844 33.823 31.823 0.259 0.000 1.081 227 V HN 0.576 nan 8.190 nan 0.000 0.442 228 S N 0.531 116.327 115.700 0.160 0.000 2.568 228 S HA 0.928 5.396 4.470 -0.002 0.000 0.302 228 S C -0.211 174.446 174.600 0.095 0.000 1.082 228 S CA -0.080 58.206 58.200 0.144 0.000 1.009 228 S CB 1.705 64.998 63.200 0.155 0.000 1.069 228 S HN 1.642 nan 8.310 nan 0.000 0.500 229 A N 2.135 124.999 122.820 0.073 0.000 2.375 229 A HA 0.688 5.007 4.320 -0.002 0.000 0.291 229 A C -0.995 176.589 177.584 -0.000 0.000 1.160 229 A CA -0.533 51.526 52.037 0.037 0.000 0.747 229 A CB 0.569 19.639 19.000 0.117 0.000 1.170 229 A HN 0.564 nan 8.150 nan 0.000 0.458 230 V N 3.673 123.577 119.914 -0.016 0.000 2.513 230 V HA 0.676 4.794 4.120 -0.002 0.000 0.299 230 V C -0.421 175.685 176.094 0.021 0.000 1.035 230 V CA -0.469 61.794 62.300 -0.061 0.000 0.889 230 V CB 1.517 33.318 31.823 -0.037 0.000 0.988 230 V HN 1.116 nan 8.190 nan 0.000 0.440 231 H N -0.084 118.995 119.070 0.015 0.000 2.865 231 H HA 0.563 5.118 4.556 -0.002 0.000 0.362 231 H C -0.483 174.869 175.328 0.039 0.000 1.114 231 H CA -0.718 55.358 56.048 0.046 0.000 1.208 231 H CB 0.882 30.652 29.762 0.014 0.000 1.727 231 H HN 0.444 nan 8.280 nan 0.000 0.534 232 T N 2.555 117.264 114.554 0.258 0.000 2.908 232 T HA -0.039 4.310 4.350 -0.002 0.000 0.301 232 T C 0.321 175.199 174.700 0.296 0.000 1.019 232 T CA 0.176 62.404 62.100 0.214 0.000 1.152 232 T CB 0.186 69.196 68.868 0.236 0.000 0.966 232 T HN 0.706 nan 8.240 nan 0.000 0.540 233 E N 1.600 121.907 120.200 0.178 0.000 2.376 233 E HA 0.382 4.731 4.350 -0.002 0.000 0.266 233 E C 0.827 177.603 176.600 0.294 0.000 1.009 233 E CA 0.489 56.991 56.400 0.170 0.000 0.902 233 E CB 0.005 29.593 29.700 -0.186 0.000 0.972 233 E HN 0.896 nan 8.360 nan 0.000 0.439 234 G N 3.828 112.753 108.800 0.208 0.000 2.342 234 G HA2 -0.260 3.698 3.960 -0.002 0.000 0.220 234 G HA3 -0.260 3.698 3.960 -0.002 0.000 0.220 234 G C 0.358 175.287 174.900 0.048 0.000 1.243 234 G CA 0.005 45.202 45.100 0.162 0.000 1.083 234 G HN 0.590 nan 8.290 nan 0.000 0.500 235 N N -0.981 117.745 118.700 0.043 0.000 2.109 235 N HA -0.084 4.654 4.740 -0.002 0.000 0.188 235 N C 2.067 177.539 175.510 -0.064 0.000 1.034 235 N CA 2.164 55.202 53.050 -0.020 0.000 0.846 235 N CB -0.180 38.308 38.487 0.001 0.000 1.010 235 N HN 0.596 nan 8.380 nan 0.000 0.425 236 Y N 1.224 121.466 120.300 -0.098 0.000 2.097 236 Y HA -0.089 4.459 4.550 -0.003 0.000 0.282 236 Y C 2.295 178.007 175.900 -0.313 0.000 1.152 236 Y CA 2.334 60.352 58.100 -0.137 0.000 1.136 236 Y CB -0.844 37.601 38.460 -0.025 0.000 0.975 236 Y HN 0.060 nan 8.280 nan 0.000 0.498 237 G N -0.696 107.926 108.800 -0.298 0.000 2.425 237 G HA2 -0.227 3.731 3.960 -0.002 0.000 0.213 237 G HA3 -0.227 3.731 3.960 -0.002 0.000 0.213 237 G C 1.523 175.999 174.900 -0.706 0.000 1.201 237 G CA 0.611 45.428 45.100 -0.472 0.000 0.799 237 G HN 0.478 nan 8.290 nan 0.000 0.534 238 E N 0.236 120.105 120.200 -0.552 0.000 2.171 238 E HA -0.134 4.215 4.350 -0.002 0.000 0.197 238 E C 2.563 178.856 176.600 -0.511 0.000 0.997 238 E CA 1.236 57.230 56.400 -0.676 0.000 0.810 238 E CB -0.034 29.462 29.700 -0.340 0.000 0.738 238 E HN 0.381 nan 8.360 nan 0.000 0.467 239 S N -0.913 114.494 115.700 -0.488 0.000 2.362 239 S HA -0.022 4.446 4.470 -0.002 0.000 0.221 239 S C 1.787 176.070 174.600 -0.530 0.000 1.032 239 S CA 0.796 58.750 58.200 -0.410 0.000 0.973 239 S CB -0.121 62.882 63.200 -0.328 0.000 0.849 239 S HN 0.508 nan 8.310 nan 0.000 0.465 240 G N 1.315 109.467 108.800 -1.081 0.000 2.402 240 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.216 240 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.216 240 G C 1.426 176.084 174.900 -0.402 0.000 1.162 240 G CA 1.142 45.340 45.100 -1.504 0.000 0.777 240 G HN 0.376 nan 8.290 nan 0.000 0.539 241 M N 1.318 120.613 119.600 -0.508 0.000 2.067 241 M HA -0.008 4.470 4.480 -0.002 0.000 0.260 241 M C 1.763 178.121 176.300 0.095 0.000 1.069 241 M CA 1.727 57.120 55.300 0.156 0.000 1.117 241 M CB -0.763 31.797 32.600 -0.066 0.000 1.334 241 M HN 0.111 nan 8.290 nan 0.000 0.407 242 D N -0.167 120.174 120.400 -0.098 0.000 2.322 242 D HA -0.119 4.520 4.640 -0.002 0.000 0.210 242 D C 1.631 177.933 176.300 0.004 0.000 0.983 242 D CA 1.420 55.387 54.000 -0.055 0.000 0.902 242 D CB -0.045 40.686 40.800 -0.115 0.000 0.905 242 D HN 0.557 nan 8.370 nan 0.000 0.483 243 A N -0.668 122.185 122.820 0.056 0.000 1.920 243 A HA 0.044 4.363 4.320 -0.002 0.000 0.209 243 A C 1.815 179.470 177.584 0.117 0.000 1.229 243 A CA -0.044 52.037 52.037 0.074 0.000 0.671 243 A CB -0.814 18.237 19.000 0.085 0.000 0.886 243 A HN 0.251 nan 8.150 nan 0.000 0.461 244 F N 1.013 121.014 119.950 0.084 0.000 2.287 244 F HA -0.186 4.339 4.527 -0.003 0.000 0.301 244 F C 2.048 177.863 175.800 0.025 0.000 1.069 244 F CA 1.746 59.770 58.000 0.041 0.000 1.372 244 F CB 0.226 39.263 39.000 0.060 0.000 1.056 244 F HN 0.040 nan 8.300 nan 0.000 0.523 245 K N 0.105 120.573 120.400 0.112 0.000 2.067 245 K HA -0.079 4.240 4.320 -0.002 0.000 0.203 245 K C 2.065 178.635 176.600 -0.051 0.000 1.048 245 K CA 1.087 57.394 56.287 0.034 0.000 0.954 245 K CB -0.363 32.178 32.500 0.068 0.000 0.737 245 K HN 0.372 nan 8.250 nan 0.000 0.444 246 E N 1.047 121.223 120.200 -0.039 0.000 2.017 246 E HA -0.138 4.211 4.350 -0.002 0.000 0.193 246 E C 2.171 178.718 176.600 -0.088 0.000 0.997 246 E CA 0.917 57.286 56.400 -0.052 0.000 0.804 246 E CB -0.133 29.546 29.700 -0.035 0.000 0.757 246 E HN 0.136 nan 8.360 nan 0.000 0.448 247 L N 0.422 121.577 121.223 -0.113 0.000 2.137 247 L HA -0.269 4.070 4.340 -0.002 0.000 0.213 247 L C 2.469 179.225 176.870 -0.190 0.000 1.085 247 L CA 1.229 55.983 54.840 -0.143 0.000 0.760 247 L CB -0.415 41.544 42.059 -0.167 0.000 0.893 247 L HN 0.177 nan 8.230 nan 0.000 0.434 248 A N -0.596 122.067 122.820 -0.262 0.000 1.930 248 A HA 0.050 4.369 4.320 -0.002 0.000 0.215 248 A C 2.499 180.000 177.584 -0.137 0.000 1.176 248 A CA 1.135 53.022 52.037 -0.251 0.000 0.632 248 A CB -0.483 18.317 19.000 -0.333 0.000 0.819 248 A HN 0.358 nan 8.150 nan 0.000 0.445 249 A N -0.552 122.205 122.820 -0.105 0.000 1.969 249 A HA -0.164 4.154 4.320 -0.002 0.000 0.218 249 A C 2.031 179.578 177.584 -0.062 0.000 1.169 249 A CA 1.460 53.454 52.037 -0.071 0.000 0.635 249 A CB -0.453 18.515 19.000 -0.054 0.000 0.810 249 A HN 0.622 nan 8.150 nan 0.000 0.445 250 Q N -1.194 118.566 119.800 -0.067 0.000 2.369 250 Q HA -0.055 4.284 4.340 -0.002 0.000 0.206 250 Q C 0.873 176.842 176.000 -0.051 0.000 0.963 250 Q CA 1.120 56.892 55.803 -0.052 0.000 0.894 250 Q CB 0.111 28.819 28.738 -0.050 0.000 0.965 250 Q HN 0.753 nan 8.270 nan 0.000 0.475 251 E N -1.129 119.032 120.200 -0.066 0.000 2.660 251 E HA 0.161 4.509 4.350 -0.002 0.000 0.216 251 E C -0.225 176.347 176.600 -0.047 0.000 0.986 251 E CA 0.002 56.369 56.400 -0.054 0.000 1.037 251 E CB 1.278 30.941 29.700 -0.061 0.000 1.041 251 E HN 0.350 nan 8.360 nan 0.000 0.480 252 G N 1.874 110.642 108.800 -0.053 0.000 2.341 252 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.278 252 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.278 252 G C -0.609 174.259 174.900 -0.053 0.000 1.111 252 G CA -0.156 44.916 45.100 -0.047 0.000 0.982 252 G HN 0.127 nan 8.290 nan 0.000 0.502 253 L N 1.118 122.296 121.223 -0.075 0.000 2.324 253 L HA 0.569 4.907 4.340 -0.002 0.000 0.274 253 L C 0.740 177.546 176.870 -0.106 0.000 1.012 253 L CA -0.931 53.868 54.840 -0.068 0.000 0.859 253 L CB 0.928 42.949 42.059 -0.063 0.000 1.224 253 L HN 0.328 nan 8.230 nan 0.000 0.429 254 C N 5.584 124.761 119.300 -0.206 0.000 2.651 254 C HA 0.280 4.739 4.460 -0.002 0.000 0.410 254 C C 0.686 175.552 174.990 -0.207 0.000 1.372 254 C CA -0.892 57.938 59.018 -0.314 0.000 1.707 254 C CB -1.075 26.227 27.740 -0.731 0.000 2.501 254 C HN 0.414 nan 8.230 nan 0.000 0.598 255 I N 3.983 124.507 120.570 -0.077 0.000 2.371 255 I HA 0.167 4.335 4.170 -0.002 0.000 0.290 255 I C 1.173 177.327 176.117 0.060 0.000 1.028 255 I CA 0.258 61.577 61.300 0.032 0.000 1.345 255 I CB 0.669 38.706 38.000 0.062 0.000 1.407 255 I HN 0.847 nan 8.210 nan 0.000 0.501 256 A N 5.843 128.749 122.820 0.143 0.000 1.887 256 A HA -0.023 4.295 4.320 -0.002 0.000 0.212 256 A C 0.561 178.288 177.584 0.238 0.000 1.198 256 A CA 0.992 53.154 52.037 0.209 0.000 0.628 256 A CB -0.041 19.119 19.000 0.268 0.000 0.847 256 A HN 0.771 nan 8.150 nan 0.000 0.449 257 H N -1.018 118.106 119.070 0.089 0.000 3.083 257 H HA 0.564 5.118 4.556 -0.002 0.000 0.339 257 H C -1.483 173.878 175.328 0.056 0.000 1.020 257 H CA -0.140 55.947 56.048 0.066 0.000 1.360 257 H CB 1.401 31.202 29.762 0.064 0.000 1.811 257 H HN 0.071 nan 8.280 nan 0.000 0.493 258 S N 4.101 119.551 115.700 -0.416 0.000 2.552 258 S HA 0.518 4.986 4.470 -0.002 0.000 0.314 258 S C -1.321 172.979 174.600 -0.499 0.000 1.099 258 S CA -0.539 57.461 58.200 -0.333 0.000 1.070 258 S CB 0.630 63.779 63.200 -0.085 0.000 0.998 258 S HN 0.742 nan 8.310 nan 0.000 0.474 259 D N 2.169 122.292 120.400 -0.463 0.000 2.661 259 D HA 0.428 5.066 4.640 -0.002 0.000 0.228 259 D C -1.295 174.749 176.300 -0.427 0.000 1.183 259 D CA -0.485 53.292 54.000 -0.372 0.000 0.844 259 D CB 1.453 42.094 40.800 -0.266 0.000 1.555 259 D HN 0.396 nan 8.370 nan 0.000 0.453 260 K N 1.443 121.612 120.400 -0.385 0.000 2.182 260 K HA 0.636 4.955 4.320 -0.002 0.000 0.262 260 K C -0.952 175.469 176.600 -0.299 0.000 0.957 260 K CA -0.988 55.020 56.287 -0.464 0.000 0.842 260 K CB 2.417 34.721 32.500 -0.325 0.000 1.099 260 K HN 0.343 nan 8.250 nan 0.000 0.438 261 I N 2.609 123.034 120.570 -0.242 0.000 2.468 261 I HA 0.189 4.357 4.170 -0.002 0.000 0.284 261 I C -1.033 175.004 176.117 -0.133 0.000 1.038 261 I CA -0.433 60.730 61.300 -0.228 0.000 1.083 261 I CB 0.623 38.497 38.000 -0.210 0.000 1.223 261 I HN 0.551 nan 8.210 nan 0.000 0.443 262 Y N 5.589 125.778 120.300 -0.186 0.000 2.721 262 Y HA -0.097 4.452 4.550 -0.003 0.000 0.329 262 Y C 1.904 177.668 175.900 -0.227 0.000 1.211 262 Y CA -0.048 57.961 58.100 -0.151 0.000 1.512 262 Y CB 0.909 39.294 38.460 -0.125 0.000 1.249 262 Y HN 0.725 nan 8.280 nan 0.000 0.549 263 S N 2.203 117.927 115.700 0.040 0.000 2.389 263 S HA -0.294 4.175 4.470 -0.002 0.000 0.231 263 S C 0.933 175.480 174.600 -0.088 0.000 1.052 263 S CA 1.993 60.177 58.200 -0.027 0.000 1.053 263 S CB -0.439 62.768 63.200 0.012 0.000 0.886 263 S HN 0.801 nan 8.310 nan 0.000 0.456 264 N N 0.901 119.555 118.700 -0.076 0.000 2.575 264 N HA 0.460 5.198 4.740 -0.002 0.000 0.275 264 N C -0.376 175.081 175.510 -0.087 0.000 1.202 264 N CA 0.056 53.065 53.050 -0.068 0.000 0.945 264 N CB 0.251 38.699 38.487 -0.065 0.000 1.247 264 N HN 0.267 nan 8.380 nan 0.000 0.510 265 A N -0.282 122.406 122.820 -0.220 0.000 2.286 265 A HA 0.726 5.045 4.320 -0.002 0.000 0.286 265 A C 0.911 178.414 177.584 -0.135 0.000 1.097 265 A CA -0.429 51.476 52.037 -0.220 0.000 0.821 265 A CB 0.102 18.863 19.000 -0.399 0.000 1.076 265 A HN 0.403 nan 8.150 nan 0.000 0.490 266 G N -0.682 108.091 108.800 -0.045 0.000 2.636 266 G HA2 0.350 4.309 3.960 -0.002 0.000 0.246 266 G HA3 0.350 4.309 3.960 -0.002 0.000 0.246 266 G C 0.383 175.360 174.900 0.129 0.000 1.216 266 G CA -0.041 45.083 45.100 0.040 0.000 0.854 266 G HN 0.833 nan 8.290 nan 0.000 0.572 267 E N 0.035 120.327 120.200 0.153 0.000 2.160 267 E HA -0.146 4.202 4.350 -0.002 0.000 0.195 267 E C 2.306 178.990 176.600 0.140 0.000 0.991 267 E CA 0.803 57.310 56.400 0.178 0.000 0.810 267 E CB 0.071 29.834 29.700 0.105 0.000 0.742 267 E HN 0.320 nan 8.360 nan 0.000 0.466 268 K N 0.441 120.894 120.400 0.089 0.000 2.001 268 K HA -0.158 4.160 4.320 -0.002 0.000 0.214 268 K C 2.395 179.036 176.600 0.070 0.000 1.050 268 K CA 1.936 58.261 56.287 0.062 0.000 0.934 268 K CB -0.491 32.032 32.500 0.038 0.000 0.718 268 K HN 0.185 nan 8.250 nan 0.000 0.443 269 S N -0.245 115.492 115.700 0.061 0.000 2.458 269 S HA 0.052 4.521 4.470 -0.002 0.000 0.223 269 S C 2.036 176.708 174.600 0.120 0.000 1.019 269 S CA 0.028 58.255 58.200 0.046 0.000 0.937 269 S CB -0.540 62.647 63.200 -0.022 0.000 0.788 269 S HN 0.233 nan 8.310 nan 0.000 0.511 270 F N 2.436 122.387 119.950 0.002 0.000 2.269 270 F HA -0.137 4.389 4.527 -0.002 0.000 0.301 270 F C 2.218 178.020 175.800 0.004 0.000 1.082 270 F CA 0.867 58.865 58.000 -0.003 0.000 1.360 270 F CB 0.084 39.080 39.000 -0.007 0.000 1.041 270 F HN 0.240 nan 8.300 nan 0.000 0.512 271 D N -0.275 120.253 120.400 0.213 0.000 2.162 271 D HA -0.138 4.501 4.640 -0.002 0.000 0.205 271 D C 2.200 178.559 176.300 0.097 0.000 0.964 271 D CA 0.517 54.585 54.000 0.112 0.000 0.847 271 D CB -0.365 40.481 40.800 0.077 0.000 0.988 271 D HN 0.198 nan 8.370 nan 0.000 0.480 272 R N 0.844 121.398 120.500 0.090 0.000 2.185 272 R HA -0.192 4.146 4.340 -0.002 0.000 0.247 272 R C 2.215 178.561 176.300 0.077 0.000 1.159 272 R CA 0.777 56.916 56.100 0.065 0.000 0.988 272 R CB -0.366 29.965 30.300 0.052 0.000 0.871 272 R HN 0.095 nan 8.270 nan 0.000 0.458 273 L N 0.898 122.190 121.223 0.115 0.000 1.970 273 L HA -0.199 4.139 4.340 -0.002 0.000 0.212 273 L C 2.250 179.184 176.870 0.108 0.000 1.071 273 L CA 1.570 56.488 54.840 0.130 0.000 0.751 273 L CB -0.769 41.387 42.059 0.161 0.000 0.889 273 L HN 0.243 nan 8.230 nan 0.000 0.432 274 L N -0.295 120.992 121.223 0.106 0.000 1.990 274 L HA -0.267 4.072 4.340 -0.002 0.000 0.213 274 L C 2.743 179.674 176.870 0.102 0.000 1.072 274 L CA 1.919 56.840 54.840 0.135 0.000 0.755 274 L CB -0.643 41.486 42.059 0.116 0.000 0.889 274 L HN 0.248 nan 8.230 nan 0.000 0.432 275 R N -0.950 119.583 120.500 0.055 0.000 2.117 275 R HA -0.175 4.164 4.340 -0.002 0.000 0.243 275 R C 2.229 178.520 176.300 -0.014 0.000 1.143 275 R CA 1.261 57.372 56.100 0.018 0.000 0.968 275 R CB -0.300 30.006 30.300 0.010 0.000 0.863 275 R HN 0.241 nan 8.270 nan 0.000 0.444 276 K N 0.658 121.037 120.400 -0.035 0.000 2.044 276 K HA -0.012 4.307 4.320 -0.002 0.000 0.204 276 K C 2.128 178.610 176.600 -0.198 0.000 1.049 276 K CA 0.982 57.167 56.287 -0.170 0.000 0.945 276 K CB -0.289 32.061 32.500 -0.250 0.000 0.724 276 K HN 0.185 nan 8.250 nan 0.000 0.440 277 L N 0.671 121.874 121.223 -0.033 0.000 1.971 277 L HA -0.236 4.103 4.340 -0.002 0.000 0.215 277 L C 2.610 179.577 176.870 0.161 0.000 1.072 277 L CA 1.591 56.504 54.840 0.122 0.000 0.758 277 L CB -0.493 41.724 42.059 0.262 0.000 0.889 277 L HN 0.190 nan 8.230 nan 0.000 0.433 278 R N -0.012 120.587 120.500 0.166 0.000 2.103 278 R HA -0.220 4.119 4.340 -0.002 0.000 0.242 278 R C 2.106 178.387 176.300 -0.031 0.000 1.142 278 R CA 1.596 57.698 56.100 0.003 0.000 0.960 278 R CB -0.478 29.783 30.300 -0.064 0.000 0.858 278 R HN 0.454 nan 8.270 nan 0.000 0.439 279 E N 0.506 120.686 120.200 -0.033 0.000 2.169 279 E HA -0.186 4.163 4.350 -0.002 0.000 0.202 279 E C 0.355 176.934 176.600 -0.035 0.000 1.016 279 E CA 1.032 57.404 56.400 -0.047 0.000 0.817 279 E CB 0.065 29.724 29.700 -0.069 0.000 0.736 279 E HN 0.243 nan 8.360 nan 0.000 0.462 280 R N 0.803 121.294 120.500 -0.015 0.000 3.956 280 R HA 0.301 4.639 4.340 -0.002 0.000 0.237 280 R C -0.112 176.201 176.300 0.023 0.000 1.552 280 R CA 0.136 56.247 56.100 0.017 0.000 1.529 280 R CB -0.063 30.272 30.300 0.058 0.000 1.376 280 R HN 0.100 nan 8.270 nan 0.000 0.733 281 L N 0.961 122.170 121.223 -0.022 0.000 2.250 281 L HA 0.515 4.853 4.340 -0.002 0.000 0.252 281 L C -1.376 175.455 176.870 -0.065 0.000 1.054 281 L CA -1.898 52.914 54.840 -0.047 0.000 0.856 281 L CB 2.265 44.270 42.059 -0.091 0.000 1.443 281 L HN 0.057 nan 8.230 nan 0.000 0.427 282 P HA 0.095 nan 4.420 nan 0.000 0.258 282 P C 0.387 177.644 177.300 -0.073 0.000 1.416 282 P CA 0.139 63.191 63.100 -0.079 0.000 0.927 282 P CB 0.243 31.894 31.700 -0.081 0.000 1.444 283 K N 0.847 121.195 120.400 -0.087 0.000 2.525 283 K HA 0.207 4.526 4.320 -0.002 0.000 0.192 283 K C 0.288 176.854 176.600 -0.057 0.000 1.029 283 K CA 0.281 56.493 56.287 -0.125 0.000 1.029 283 K CB -0.023 32.325 32.500 -0.252 0.000 0.814 283 K HN 0.074 nan 8.250 nan 0.000 0.503 284 A N 0.788 123.605 122.820 -0.004 0.000 3.300 284 A HA 0.211 4.529 4.320 -0.002 0.000 0.300 284 A C 0.169 177.782 177.584 0.049 0.000 1.099 284 A CA -0.622 51.451 52.037 0.059 0.000 0.846 284 A CB 0.292 19.378 19.000 0.144 0.000 1.255 284 A HN 0.248 nan 8.150 nan 0.000 0.519 285 R N 0.369 120.845 120.500 -0.040 0.000 2.339 285 R HA 0.101 4.439 4.340 -0.002 0.000 0.199 285 R C -0.420 175.868 176.300 -0.021 0.000 1.018 285 R CA 0.778 56.872 56.100 -0.010 0.000 1.036 285 R CB 0.007 30.240 30.300 -0.112 0.000 0.899 285 R HN 0.399 nan 8.270 nan 0.000 0.473 286 V N 1.908 121.763 119.914 -0.099 0.000 2.333 286 V HA 0.230 4.349 4.120 -0.002 0.000 0.274 286 V C -0.260 175.829 176.094 -0.009 0.000 1.028 286 V CA -0.652 61.574 62.300 -0.125 0.000 0.851 286 V CB 1.551 33.261 31.823 -0.189 0.000 1.000 286 V HN -0.172 nan 8.190 nan 0.000 0.456 287 V N 6.274 126.152 119.914 -0.060 0.000 2.347 287 V HA 0.371 4.489 4.120 -0.002 0.000 0.280 287 V C 0.182 176.233 176.094 -0.070 0.000 1.021 287 V CA -0.470 61.778 62.300 -0.087 0.000 0.847 287 V CB 1.781 33.438 31.823 -0.277 0.000 0.990 287 V HN 0.647 nan 8.190 nan 0.000 0.444 288 V N 3.699 123.578 119.914 -0.058 0.000 2.785 288 V HA 0.366 4.484 4.120 -0.002 0.000 0.300 288 V C 0.150 176.169 176.094 -0.125 0.000 1.062 288 V CA -0.345 61.868 62.300 -0.145 0.000 1.029 288 V CB 1.604 33.230 31.823 -0.329 0.000 1.024 288 V HN 0.946 nan 8.190 nan 0.000 0.477 289 C N 3.664 122.886 119.300 -0.129 0.000 2.505 289 C HA 0.445 4.904 4.460 -0.002 0.000 0.342 289 C C 0.230 175.233 174.990 0.022 0.000 1.121 289 C CA -0.663 58.352 59.018 -0.006 0.000 1.306 289 C CB 0.432 28.224 27.740 0.087 0.000 1.897 289 C HN 0.977 nan 8.230 nan 0.000 0.446 290 F N 2.940 122.868 119.950 -0.037 0.000 2.772 290 F HA 0.244 4.770 4.527 -0.002 0.000 0.302 290 F C 1.136 176.986 175.800 0.083 0.000 1.136 290 F CA -0.429 57.532 58.000 -0.065 0.000 1.322 290 F CB 0.159 39.055 39.000 -0.173 0.000 0.967 290 F HN 0.602 nan 8.300 nan 0.000 0.513 291 C N 0.601 120.128 119.300 0.378 0.000 2.553 291 C HA 0.174 4.632 4.460 -0.002 0.000 0.345 291 C C 0.590 175.835 174.990 0.426 0.000 1.369 291 C CA -0.629 58.596 59.018 0.345 0.000 2.447 291 C CB 0.426 28.296 27.740 0.216 0.000 2.358 291 C HN 0.382 nan 8.230 nan 0.000 0.676 292 E N 0.265 120.638 120.200 0.289 0.000 2.277 292 E HA 0.304 4.653 4.350 -0.002 0.000 0.274 292 E C 1.118 177.781 176.600 0.104 0.000 1.022 292 E CA 0.062 56.556 56.400 0.157 0.000 0.853 292 E CB 1.206 30.964 29.700 0.096 0.000 1.086 292 E HN 0.859 nan 8.360 nan 0.000 0.397 293 G N 2.362 111.197 108.800 0.057 0.000 2.556 293 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.220 293 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.220 293 G C 1.238 176.079 174.900 -0.099 0.000 1.156 293 G CA 1.157 46.240 45.100 -0.028 0.000 0.766 293 G HN 0.355 nan 8.290 nan 0.000 0.583 294 M N 0.496 120.076 119.600 -0.033 0.000 2.117 294 M HA 0.010 4.488 4.480 -0.002 0.000 0.262 294 M C 2.709 179.068 176.300 0.099 0.000 1.065 294 M CA 1.528 56.821 55.300 -0.011 0.000 1.114 294 M CB -1.270 31.341 32.600 0.018 0.000 1.361 294 M HN 0.130 nan 8.290 nan 0.000 0.408 295 T N -0.099 114.552 114.554 0.161 0.000 2.849 295 T HA -0.098 4.251 4.350 -0.002 0.000 0.270 295 T C 1.956 176.762 174.700 0.176 0.000 1.066 295 T CA 1.213 63.511 62.100 0.330 0.000 1.130 295 T CB -0.255 68.732 68.868 0.198 0.000 0.864 295 T HN 0.149 nan 8.240 nan 0.000 0.481 296 V N 0.734 120.622 119.914 -0.044 0.000 2.346 296 V HA -0.047 4.071 4.120 -0.002 0.000 0.244 296 V C 2.604 178.452 176.094 -0.411 0.000 1.037 296 V CA 1.378 63.525 62.300 -0.254 0.000 1.029 296 V CB -0.457 31.112 31.823 -0.423 0.000 0.663 296 V HN 0.322 nan 8.190 nan 0.000 0.454 297 R N 0.198 120.456 120.500 -0.403 0.000 2.080 297 R HA -0.166 4.172 4.340 -0.002 0.000 0.236 297 R C 2.374 178.349 176.300 -0.541 0.000 1.137 297 R CA 1.888 57.702 56.100 -0.477 0.000 0.943 297 R CB -0.911 29.144 30.300 -0.409 0.000 0.846 297 R HN 0.548 nan 8.270 nan 0.000 0.431 298 G N 1.340 109.791 108.800 -0.581 0.000 2.505 298 G HA2 -0.307 3.651 3.960 -0.002 0.000 0.220 298 G HA3 -0.307 3.651 3.960 -0.002 0.000 0.220 298 G C 1.312 175.429 174.900 -1.305 0.000 1.145 298 G CA 0.917 45.236 45.100 -1.303 0.000 0.761 298 G HN 0.329 nan 8.290 nan 0.000 0.571 299 L N 0.468 121.186 121.223 -0.842 0.000 2.083 299 L HA 0.086 4.425 4.340 -0.002 0.000 0.209 299 L C 2.718 179.409 176.870 -0.297 0.000 1.083 299 L CA 1.297 55.865 54.840 -0.452 0.000 0.752 299 L CB -0.322 41.590 42.059 -0.245 0.000 0.899 299 L HN 0.228 nan 8.230 nan 0.000 0.433 300 L N -1.685 119.362 121.223 -0.293 0.000 2.056 300 L HA -0.176 4.162 4.340 -0.002 0.000 0.207 300 L C 2.535 179.413 176.870 0.013 0.000 1.078 300 L CA 1.229 55.995 54.840 -0.124 0.000 0.749 300 L CB -0.964 41.013 42.059 -0.137 0.000 0.901 300 L HN 0.217 nan 8.230 nan 0.000 0.433 301 S N 0.241 115.882 115.700 -0.099 0.000 2.359 301 S HA -0.269 4.200 4.470 -0.002 0.000 0.223 301 S C 2.201 176.825 174.600 0.039 0.000 1.039 301 S CA 1.621 59.898 58.200 0.128 0.000 1.042 301 S CB -0.326 62.802 63.200 -0.120 0.000 0.915 301 S HN 0.524 nan 8.310 nan 0.000 0.439 302 A N 1.706 124.469 122.820 -0.096 0.000 1.940 302 A HA -0.134 4.184 4.320 -0.002 0.000 0.219 302 A C 2.123 179.704 177.584 -0.004 0.000 1.176 302 A CA 1.550 53.561 52.037 -0.044 0.000 0.631 302 A CB -0.608 18.355 19.000 -0.063 0.000 0.814 302 A HN 0.395 nan 8.150 nan 0.000 0.446 303 M N -1.033 118.568 119.600 0.002 0.000 2.352 303 M HA -0.236 4.242 4.480 -0.002 0.000 0.260 303 M C 2.313 178.616 176.300 0.006 0.000 1.068 303 M CA 2.395 57.715 55.300 0.034 0.000 1.082 303 M CB -1.051 31.576 32.600 0.046 0.000 1.262 303 M HN 0.527 nan 8.290 nan 0.000 0.444 304 R N -0.249 120.244 120.500 -0.012 0.000 2.241 304 R HA -0.096 4.243 4.340 -0.002 0.000 0.224 304 R C 2.233 178.496 176.300 -0.061 0.000 1.101 304 R CA 1.047 57.103 56.100 -0.073 0.000 0.995 304 R CB -0.114 30.071 30.300 -0.191 0.000 0.870 304 R HN 0.263 nan 8.270 nan 0.000 0.463 305 R N -0.258 120.226 120.500 -0.026 0.000 2.189 305 R HA -0.079 4.259 4.340 -0.002 0.000 0.218 305 R C 1.362 177.652 176.300 -0.016 0.000 1.074 305 R CA 0.877 56.966 56.100 -0.018 0.000 0.991 305 R CB 0.075 30.377 30.300 0.002 0.000 0.883 305 R HN 0.214 nan 8.270 nan 0.000 0.457 306 L N -1.687 119.528 121.223 -0.013 0.000 2.609 306 L HA 0.336 4.674 4.340 -0.002 0.000 0.230 306 L C 0.897 177.754 176.870 -0.023 0.000 1.087 306 L CA 1.528 56.361 54.840 -0.013 0.000 0.874 306 L CB 0.983 43.040 42.059 -0.002 0.000 1.114 306 L HN 0.276 nan 8.230 nan 0.000 0.488 307 G N -0.425 108.358 108.800 -0.029 0.000 2.201 307 G HA2 -0.183 3.775 3.960 -0.002 0.000 0.212 307 G HA3 -0.183 3.775 3.960 -0.002 0.000 0.212 307 G C 0.218 175.096 174.900 -0.036 0.000 0.994 307 G CA 0.115 45.193 45.100 -0.036 0.000 0.644 307 G HN 0.753 nan 8.290 nan 0.000 0.508 308 V N -0.959 118.938 119.914 -0.029 0.000 2.607 308 V HA 0.877 4.995 4.120 -0.002 0.000 0.289 308 V C 0.312 176.399 176.094 -0.012 0.000 1.053 308 V CA -0.911 61.368 62.300 -0.035 0.000 0.996 308 V CB 1.780 33.575 31.823 -0.047 0.000 0.995 308 V HN 0.668 nan 8.190 nan 0.000 0.476 309 V N 3.743 123.646 119.914 -0.019 0.000 2.888 309 V HA 0.792 4.910 4.120 -0.002 0.000 0.309 309 V C 0.874 176.971 176.094 0.005 0.000 1.114 309 V CA 0.260 62.563 62.300 0.006 0.000 0.940 309 V CB 1.475 33.292 31.823 -0.010 0.000 1.021 309 V HN 1.618 nan 8.190 nan 0.000 0.426 310 G N 2.900 111.729 108.800 0.049 0.000 2.153 310 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.252 310 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.252 310 G C 0.537 175.439 174.900 0.004 0.000 0.994 310 G CA 0.872 45.998 45.100 0.043 0.000 0.698 310 G HN 0.790 nan 8.290 nan 0.000 0.521 311 E N -0.826 119.343 120.200 -0.051 0.000 2.015 311 E HA 0.154 4.502 4.350 -0.002 0.000 0.191 311 E C 1.256 177.764 176.600 -0.153 0.000 0.991 311 E CA 1.294 57.539 56.400 -0.257 0.000 0.802 311 E CB 0.016 29.317 29.700 -0.664 0.000 0.759 311 E HN 0.765 nan 8.360 nan 0.000 0.447 312 F N -1.967 117.956 119.950 -0.046 0.000 2.639 312 F HA 0.614 5.140 4.527 -0.002 0.000 0.339 312 F C -0.076 175.688 175.800 -0.060 0.000 1.071 312 F CA -1.656 56.303 58.000 -0.067 0.000 0.994 312 F CB 1.322 40.288 39.000 -0.058 0.000 1.341 312 F HN -0.337 nan 8.300 nan 0.000 0.498 313 S N 1.265 117.033 115.700 0.113 0.000 2.449 313 S HA 0.656 5.125 4.470 -0.002 0.000 0.310 313 S C -0.873 173.705 174.600 -0.036 0.000 1.096 313 S CA -0.597 57.605 58.200 0.002 0.000 1.095 313 S CB 0.659 63.793 63.200 -0.109 0.000 1.007 313 S HN 0.530 nan 8.310 nan 0.000 0.474 314 L N 4.865 126.094 121.223 0.009 0.000 2.344 314 L HA 0.647 4.986 4.340 -0.002 0.000 0.272 314 L C -0.600 176.303 176.870 0.055 0.000 1.035 314 L CA -0.782 54.071 54.840 0.022 0.000 0.807 314 L CB 1.485 43.606 42.059 0.103 0.000 1.237 314 L HN 0.556 nan 8.230 nan 0.000 0.442 315 I N 1.502 122.091 120.570 0.033 0.000 2.448 315 I HA 0.354 4.523 4.170 -0.002 0.000 0.281 315 I C 0.209 176.317 176.117 -0.016 0.000 1.027 315 I CA -0.283 61.016 61.300 -0.002 0.000 1.111 315 I CB 1.645 39.643 38.000 -0.002 0.000 1.236 315 I HN 0.619 nan 8.210 nan 0.000 0.452 316 G N 3.990 112.797 108.800 0.012 0.000 2.335 316 G HA2 0.497 4.456 3.960 -0.002 0.000 0.316 316 G HA3 0.497 4.456 3.960 -0.002 0.000 0.316 316 G C 0.170 175.082 174.900 0.019 0.000 1.129 316 G CA -0.328 44.860 45.100 0.147 0.000 0.899 316 G HN 0.624 nan 8.290 nan 0.000 0.448 317 S N 1.411 117.132 115.700 0.035 0.000 2.617 317 S HA 0.063 4.531 4.470 -0.002 0.000 0.255 317 S C 1.390 176.089 174.600 0.165 0.000 1.318 317 S CA 0.229 58.433 58.200 0.006 0.000 0.978 317 S CB 0.956 64.153 63.200 -0.005 0.000 0.961 317 S HN 0.760 nan 8.310 nan 0.000 0.582 318 D N -0.093 120.422 120.400 0.193 0.000 2.411 318 D HA -0.073 4.565 4.640 -0.002 0.000 0.226 318 D C 1.526 177.949 176.300 0.206 0.000 0.988 318 D CA 1.051 55.170 54.000 0.197 0.000 0.938 318 D CB -0.928 40.014 40.800 0.237 0.000 0.883 318 D HN 0.661 nan 8.370 nan 0.000 0.525 319 G N 0.342 109.322 108.800 0.300 0.000 2.404 319 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.215 319 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.215 319 G C 1.277 176.309 174.900 0.222 0.000 1.174 319 G CA 0.691 45.873 45.100 0.137 0.000 0.780 319 G HN 0.346 nan 8.290 nan 0.000 0.537 320 W N 1.668 123.008 121.300 0.068 0.000 2.413 320 W HA 0.323 4.981 4.660 -0.003 0.000 0.315 320 W C 1.399 177.921 176.519 0.005 0.000 1.186 320 W CA 1.804 59.173 57.345 0.041 0.000 1.326 320 W CB -0.853 28.645 29.460 0.062 0.000 1.153 320 W HN 0.798 nan 8.180 nan 0.000 0.489 321 A N 0.781 123.728 122.820 0.212 0.000 6.506 321 A HA -0.305 4.014 4.320 -0.002 0.000 0.234 321 A C 0.580 178.009 177.584 -0.258 0.000 2.257 321 A CA 1.059 53.084 52.037 -0.020 0.000 0.695 321 A CB -1.988 17.037 19.000 0.042 0.000 0.929 321 A HN 0.713 nan 8.150 nan 0.000 0.364 322 D N 0.413 120.592 120.400 -0.368 0.000 2.690 322 D HA 0.161 4.800 4.640 -0.002 0.000 0.236 322 D C 0.452 176.295 176.300 -0.762 0.000 1.218 322 D CA -0.165 53.298 54.000 -0.896 0.000 0.829 322 D CB -0.296 40.167 40.800 -0.563 0.000 1.009 322 D HN 0.578 nan 8.370 nan 0.000 0.482 323 R N 0.191 120.513 120.500 -0.296 0.000 2.694 323 R HA 0.074 4.412 4.340 -0.002 0.000 0.268 323 R C 0.676 176.958 176.300 -0.030 0.000 1.061 323 R CA -0.176 55.868 56.100 -0.094 0.000 1.133 323 R CB 0.891 31.229 30.300 0.064 0.000 1.020 323 R HN 0.115 nan 8.270 nan 0.000 0.475 324 D N 1.216 121.637 120.400 0.034 0.000 2.392 324 D HA -0.052 4.587 4.640 -0.002 0.000 0.206 324 D C 0.175 176.540 176.300 0.108 0.000 1.046 324 D CA 0.448 54.532 54.000 0.141 0.000 0.865 324 D CB 0.602 41.475 40.800 0.122 0.000 0.969 324 D HN 0.609 nan 8.370 nan 0.000 0.509 325 E N 0.347 120.579 120.200 0.053 0.000 2.320 325 E HA 0.042 4.391 4.350 -0.002 0.000 0.189 325 E C 1.198 177.786 176.600 -0.019 0.000 1.100 325 E CA 0.108 56.517 56.400 0.016 0.000 1.009 325 E CB 0.464 30.162 29.700 -0.003 0.000 1.145 325 E HN 0.041 nan 8.360 nan 0.000 0.454 326 V N -0.428 119.485 119.914 -0.001 0.000 3.484 326 V HA 0.074 4.192 4.120 -0.002 0.000 0.252 326 V C 1.790 177.789 176.094 -0.158 0.000 1.282 326 V CA 0.124 62.351 62.300 -0.122 0.000 1.104 326 V CB -0.310 31.401 31.823 -0.187 0.000 0.868 326 V HN 0.455 nan 8.190 nan 0.000 0.457 327 I N -1.916 118.654 120.570 -0.001 0.000 4.018 327 I HA 0.418 4.587 4.170 -0.002 0.000 0.337 327 I C 0.617 176.769 176.117 0.057 0.000 1.327 327 I CA -0.179 61.132 61.300 0.019 0.000 1.100 327 I CB 0.074 38.152 38.000 0.130 0.000 1.025 327 I HN 0.033 nan 8.210 nan 0.000 0.396 328 E N 2.668 122.899 120.200 0.052 0.000 2.585 328 E HA 0.235 4.583 4.350 -0.002 0.000 0.252 328 E C 1.328 178.032 176.600 0.173 0.000 0.981 328 E CA 1.813 58.261 56.400 0.079 0.000 0.943 328 E CB 0.212 29.944 29.700 0.053 0.000 0.923 328 E HN 0.558 nan 8.360 nan 0.000 0.486 329 G N 3.578 112.453 108.800 0.125 0.000 2.417 329 G HA2 -0.354 3.605 3.960 -0.002 0.000 0.233 329 G HA3 -0.354 3.605 3.960 -0.002 0.000 0.233 329 G C 0.512 175.416 174.900 0.006 0.000 1.103 329 G CA 0.400 45.564 45.100 0.107 0.000 0.647 329 G HN 0.526 nan 8.290 nan 0.000 0.512 330 Y N 1.903 122.136 120.300 -0.112 0.000 2.625 330 Y HA 0.492 5.040 4.550 -0.002 0.000 0.285 330 Y C 2.041 177.843 175.900 -0.164 0.000 1.168 330 Y CA 0.361 58.383 58.100 -0.130 0.000 1.250 330 Y CB 0.107 38.486 38.460 -0.134 0.000 1.130 330 Y HN 0.373 nan 8.280 nan 0.000 0.526 331 E N 0.130 120.266 120.200 -0.107 0.000 2.049 331 E HA -0.180 4.169 4.350 -0.002 0.000 0.198 331 E C 2.244 178.641 176.600 -0.338 0.000 1.007 331 E CA 1.645 57.871 56.400 -0.291 0.000 0.809 331 E CB -0.441 28.894 29.700 -0.609 0.000 0.749 331 E HN 0.222 nan 8.360 nan 0.000 0.450 332 V N 2.010 121.722 119.914 -0.337 0.000 2.392 332 V HA -0.245 3.873 4.120 -0.002 0.000 0.249 332 V C 2.001 178.041 176.094 -0.090 0.000 1.059 332 V CA 2.081 64.247 62.300 -0.224 0.000 1.051 332 V CB -0.620 31.105 31.823 -0.163 0.000 0.658 332 V HN 0.389 nan 8.190 nan 0.000 0.455 333 E N 0.652 120.813 120.200 -0.064 0.000 2.358 333 E HA -0.003 4.346 4.350 -0.002 0.000 0.195 333 E C 1.834 178.457 176.600 0.038 0.000 1.010 333 E CA 1.148 57.545 56.400 -0.004 0.000 0.856 333 E CB -0.192 29.510 29.700 0.003 0.000 0.795 333 E HN 0.571 nan 8.360 nan 0.000 0.504 334 A N 1.417 124.259 122.820 0.036 0.000 2.267 334 A HA 0.035 4.353 4.320 -0.002 0.000 0.213 334 A C 0.958 178.635 177.584 0.155 0.000 1.192 334 A CA -0.150 51.961 52.037 0.125 0.000 0.851 334 A CB -0.558 18.533 19.000 0.150 0.000 0.881 334 A HN 0.231 nan 8.150 nan 0.000 0.494 335 N N -0.222 118.532 118.700 0.090 0.000 2.407 335 N HA 0.338 5.077 4.740 -0.002 0.000 0.250 335 N C 1.115 176.685 175.510 0.100 0.000 1.236 335 N CA 1.778 54.894 53.050 0.109 0.000 0.879 335 N CB 0.352 38.928 38.487 0.148 0.000 1.088 335 N HN 0.534 nan 8.380 nan 0.000 0.450 336 G N 1.072 109.919 108.800 0.079 0.000 2.259 336 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.217 336 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.217 336 G C 0.439 175.366 174.900 0.046 0.000 1.001 336 G CA -0.065 45.072 45.100 0.063 0.000 0.627 336 G HN 0.940 nan 8.290 nan 0.000 0.501 337 G N 0.290 109.123 108.800 0.055 0.000 2.441 337 G HA2 0.492 4.451 3.960 -0.002 0.000 0.243 337 G HA3 0.492 4.451 3.960 -0.002 0.000 0.243 337 G C 0.079 174.916 174.900 -0.105 0.000 1.281 337 G CA -0.040 45.064 45.100 0.007 0.000 0.854 337 G HN 0.738 nan 8.290 nan 0.000 0.560 338 I N 1.851 122.363 120.570 -0.096 0.000 2.339 338 I HA 0.312 4.481 4.170 -0.002 0.000 0.290 338 I C 0.619 176.620 176.117 -0.194 0.000 0.994 338 I CA -0.625 60.615 61.300 -0.100 0.000 1.191 338 I CB 1.673 39.668 38.000 -0.007 0.000 1.343 338 I HN 0.585 nan 8.210 nan 0.000 0.458 339 T N 3.889 118.291 114.554 -0.254 0.000 2.949 339 T HA 0.609 4.958 4.350 -0.002 0.000 0.287 339 T C -0.321 174.285 174.700 -0.157 0.000 1.034 339 T CA -0.819 61.099 62.100 -0.304 0.000 1.018 339 T CB 2.358 70.893 68.868 -0.555 0.000 1.135 339 T HN 0.204 nan 8.240 nan 0.000 0.532 340 I N 1.649 122.142 120.570 -0.129 0.000 2.359 340 I HA 0.390 4.558 4.170 -0.002 0.000 0.284 340 I C -0.006 176.127 176.117 0.027 0.000 1.018 340 I CA -0.623 60.634 61.300 -0.072 0.000 1.173 340 I CB 1.241 39.127 38.000 -0.190 0.000 1.326 340 I HN 0.795 nan 8.210 nan 0.000 0.462 341 K N 6.819 127.260 120.400 0.069 0.000 2.281 341 K HA 0.325 4.644 4.320 -0.002 0.000 0.272 341 K C -0.559 176.157 176.600 0.192 0.000 1.048 341 K CA -0.758 55.576 56.287 0.079 0.000 0.898 341 K CB 1.052 33.535 32.500 -0.028 0.000 1.128 341 K HN 0.417 nan 8.250 nan 0.000 0.460 342 L N 4.275 125.646 121.223 0.246 0.000 2.562 342 L HA 0.030 4.369 4.340 -0.002 0.000 0.271 342 L C -0.049 176.847 176.870 0.044 0.000 1.167 342 L CA 0.660 55.607 54.840 0.178 0.000 0.917 342 L CB 0.547 42.751 42.059 0.242 0.000 1.187 342 L HN 0.667 nan 8.230 nan 0.000 0.482 343 Q N 3.642 123.422 119.800 -0.033 0.000 2.325 343 Q HA 0.115 4.453 4.340 -0.002 0.000 0.256 343 Q C -0.586 175.350 176.000 -0.108 0.000 1.142 343 Q CA 0.215 55.992 55.803 -0.043 0.000 0.902 343 Q CB 0.323 29.053 28.738 -0.014 0.000 1.350 343 Q HN 0.769 nan 8.270 nan 0.000 0.449 344 S N 6.098 121.738 115.700 -0.100 0.000 2.532 344 S HA 0.451 4.920 4.470 -0.002 0.000 0.318 344 S C -2.236 172.299 174.600 -0.109 0.000 1.083 344 S CA -1.513 56.583 58.200 -0.175 0.000 1.131 344 S CB 0.539 63.665 63.200 -0.124 0.000 0.973 344 S HN 0.591 nan 8.310 nan 0.000 0.468 345 P HA 0.364 nan 4.420 nan 0.000 0.276 345 P C -0.402 176.869 177.300 -0.049 0.000 1.261 345 P CA -0.570 62.496 63.100 -0.057 0.000 0.800 345 P CB 0.601 32.278 31.700 -0.039 0.000 1.066 346 E N -0.768 119.424 120.200 -0.013 0.000 2.283 346 E HA 0.358 4.706 4.350 -0.002 0.000 0.271 346 E C -0.938 175.684 176.600 0.037 0.000 1.031 346 E CA -0.836 55.572 56.400 0.013 0.000 0.868 346 E CB 1.077 30.795 29.700 0.029 0.000 1.094 346 E HN 0.074 nan 8.360 nan 0.000 0.401 347 V N 4.658 124.618 119.914 0.077 0.000 2.250 347 V HA 0.191 4.309 4.120 -0.002 0.000 0.268 347 V C 1.132 177.343 176.094 0.196 0.000 1.043 347 V CA -0.394 61.977 62.300 0.119 0.000 0.814 347 V CB 0.645 32.537 31.823 0.114 0.000 1.072 347 V HN 0.712 nan 8.190 nan 0.000 0.451 348 R N 1.809 122.401 120.500 0.153 0.000 2.140 348 R HA -0.235 4.103 4.340 -0.002 0.000 0.250 348 R C 2.469 178.890 176.300 0.202 0.000 1.150 348 R CA 2.081 58.279 56.100 0.163 0.000 0.966 348 R CB -0.272 30.100 30.300 0.120 0.000 0.869 348 R HN 0.828 nan 8.270 nan 0.000 0.445 349 S N 0.566 116.396 115.700 0.216 0.000 2.359 349 S HA -0.223 4.245 4.470 -0.002 0.000 0.224 349 S C 1.818 176.586 174.600 0.278 0.000 1.035 349 S CA 1.270 59.617 58.200 0.245 0.000 1.018 349 S CB -0.748 62.619 63.200 0.279 0.000 0.876 349 S HN 0.359 nan 8.310 nan 0.000 0.448 350 F N 3.588 123.651 119.950 0.190 0.000 2.043 350 F HA -0.200 4.325 4.527 -0.002 0.000 0.297 350 F C 1.786 177.717 175.800 0.218 0.000 1.118 350 F CA 2.217 60.317 58.000 0.168 0.000 1.202 350 F CB -0.989 38.114 39.000 0.171 0.000 0.965 350 F HN 0.116 nan 8.300 nan 0.000 0.482 351 D N 0.393 120.880 120.400 0.144 0.000 2.104 351 D HA -0.195 4.444 4.640 -0.002 0.000 0.194 351 D C 1.963 178.273 176.300 0.017 0.000 0.994 351 D CA 1.704 55.759 54.000 0.091 0.000 0.830 351 D CB -0.694 40.288 40.800 0.304 0.000 0.959 351 D HN 0.372 nan 8.370 nan 0.000 0.452 352 D N -0.805 119.638 120.400 0.071 0.000 2.228 352 D HA -0.193 4.445 4.640 -0.002 0.000 0.203 352 D C 1.800 178.097 176.300 -0.004 0.000 0.988 352 D CA 0.757 54.787 54.000 0.049 0.000 0.864 352 D CB -0.126 40.728 40.800 0.089 0.000 0.928 352 D HN 0.388 nan 8.370 nan 0.000 0.469 353 Y N -0.206 119.977 120.300 -0.195 0.000 2.262 353 Y HA -0.046 4.503 4.550 -0.002 0.000 0.295 353 Y C 2.042 177.804 175.900 -0.230 0.000 1.121 353 Y CA 0.523 58.460 58.100 -0.271 0.000 1.144 353 Y CB -0.539 37.561 38.460 -0.600 0.000 1.043 353 Y HN -0.186 nan 8.280 nan 0.000 0.528 354 F N 1.160 120.670 119.950 -0.734 0.000 2.069 354 F HA -0.248 4.278 4.527 -0.002 0.000 0.298 354 F C 1.924 177.419 175.800 -0.508 0.000 1.113 354 F CA 2.061 59.612 58.000 -0.748 0.000 1.214 354 F CB -0.786 37.688 39.000 -0.878 0.000 0.978 354 F HN 0.089 nan 8.300 nan 0.000 0.474 355 L N 0.045 121.051 121.223 -0.361 0.000 2.013 355 L HA -0.256 4.083 4.340 -0.002 0.000 0.212 355 L C 1.589 178.291 176.870 -0.281 0.000 1.073 355 L CA 1.650 56.297 54.840 -0.323 0.000 0.753 355 L CB -1.036 40.929 42.059 -0.157 0.000 0.890 355 L HN 0.002 nan 8.230 nan 0.000 0.432 356 K N 1.153 121.391 120.400 -0.269 0.000 3.277 356 K HA 0.183 4.501 4.320 -0.002 0.000 0.291 356 K C -0.333 176.104 176.600 -0.273 0.000 0.994 356 K CA 0.096 56.255 56.287 -0.214 0.000 1.147 356 K CB -0.465 31.936 32.500 -0.164 0.000 1.185 356 K HN 0.250 nan 8.250 nan 0.000 0.422 357 L N 0.812 121.856 121.223 -0.298 0.000 2.325 357 L HA 0.409 4.748 4.340 -0.002 0.000 0.278 357 L C 0.090 176.850 176.870 -0.184 0.000 1.023 357 L CA -0.764 53.921 54.840 -0.258 0.000 0.811 357 L CB 1.435 43.352 42.059 -0.237 0.000 1.249 357 L HN 0.132 nan 8.230 nan 0.000 0.431 358 R N 1.860 122.241 120.500 -0.199 0.000 2.621 358 R HA 0.218 4.557 4.340 -0.002 0.000 0.292 358 R C 0.450 176.564 176.300 -0.310 0.000 0.969 358 R CA -0.824 55.132 56.100 -0.240 0.000 0.887 358 R CB 2.166 32.375 30.300 -0.151 0.000 1.180 358 R HN 0.467 nan 8.270 nan 0.000 0.450 359 L N 3.102 124.012 121.223 -0.522 0.000 2.127 359 L HA -0.172 4.166 4.340 -0.002 0.000 0.211 359 L C 1.100 177.833 176.870 -0.228 0.000 1.089 359 L CA 2.308 56.862 54.840 -0.478 0.000 0.757 359 L CB -0.373 41.243 42.059 -0.738 0.000 0.899 359 L HN 0.752 nan 8.230 nan 0.000 0.434 360 D N -2.077 118.215 120.400 -0.181 0.000 2.178 360 D HA -0.170 4.468 4.640 -0.002 0.000 0.202 360 D C 1.694 177.922 176.300 -0.119 0.000 0.974 360 D CA 1.475 55.403 54.000 -0.119 0.000 0.841 360 D CB -0.515 40.232 40.800 -0.087 0.000 0.953 360 D HN 0.546 nan 8.370 nan 0.000 0.478 361 T N -3.447 111.021 114.554 -0.144 0.000 2.969 361 T HA 0.056 4.405 4.350 -0.002 0.000 0.250 361 T C 0.641 175.235 174.700 -0.177 0.000 1.021 361 T CA -0.426 61.591 62.100 -0.138 0.000 1.003 361 T CB -0.599 68.196 68.868 -0.121 0.000 1.040 361 T HN -0.014 nan 8.240 nan 0.000 0.492 362 N N 2.844 121.395 118.700 -0.248 0.000 2.466 362 N HA 0.191 4.930 4.740 -0.002 0.000 0.263 362 N C 1.195 176.539 175.510 -0.276 0.000 1.178 362 N CA 0.371 53.207 53.050 -0.357 0.000 0.983 362 N CB 0.689 38.732 38.487 -0.739 0.000 1.331 362 N HN 0.448 nan 8.380 nan 0.000 0.500 363 T N 0.442 114.874 114.554 -0.203 0.000 3.034 363 T HA -0.036 4.312 4.350 -0.002 0.000 0.248 363 T C 1.823 176.436 174.700 -0.145 0.000 1.040 363 T CA -0.001 62.014 62.100 -0.142 0.000 1.107 363 T CB -0.085 68.715 68.868 -0.114 0.000 0.932 363 T HN 0.536 nan 8.240 nan 0.000 0.474 364 R N 1.939 122.316 120.500 -0.205 0.000 2.091 364 R HA -0.046 4.293 4.340 -0.002 0.000 0.238 364 R C 1.284 177.544 176.300 -0.067 0.000 1.136 364 R CA 1.445 57.404 56.100 -0.235 0.000 0.959 364 R CB -0.867 29.113 30.300 -0.534 0.000 0.856 364 R HN 0.349 nan 8.270 nan 0.000 0.437 365 N N 2.551 121.258 118.700 0.012 0.000 2.602 365 N HA 0.067 4.806 4.740 -0.002 0.000 0.238 365 N C -1.708 173.848 175.510 0.077 0.000 1.084 365 N CA -1.939 51.241 53.050 0.217 0.000 0.952 365 N CB 1.307 39.976 38.487 0.302 0.000 1.244 365 N HN 0.105 nan 8.380 nan 0.000 0.512 366 P HA -0.107 nan 4.420 nan 0.000 0.223 366 P C 0.987 178.241 177.300 -0.075 0.000 1.144 366 P CA 0.980 63.968 63.100 -0.185 0.000 0.783 366 P CB 0.059 31.503 31.700 -0.427 0.000 0.771 367 W N -1.689 119.769 121.300 0.263 0.000 2.658 367 W HA 0.066 4.725 4.660 -0.003 0.000 0.263 367 W C 1.949 178.731 176.519 0.439 0.000 1.274 367 W CA -0.099 57.424 57.345 0.297 0.000 1.343 367 W CB -1.374 28.225 29.460 0.232 0.000 1.106 367 W HN -0.103 nan 8.180 nan 0.000 0.615 368 F N 1.130 121.328 119.950 0.413 0.000 2.085 368 F HA -0.226 4.300 4.527 -0.003 0.000 0.299 368 F C -0.401 175.603 175.800 0.340 0.000 1.096 368 F CA 1.935 60.179 58.000 0.407 0.000 1.227 368 F CB -2.150 36.968 39.000 0.197 0.000 0.983 368 F HN -0.160 nan 8.300 nan 0.000 0.482 369 P HA -0.219 nan 4.420 nan 0.000 0.214 369 P C 1.605 179.110 177.300 0.341 0.000 1.163 369 P CA 2.127 65.429 63.100 0.337 0.000 0.883 369 P CB -0.097 31.791 31.700 0.313 0.000 0.788 370 E N -1.329 119.090 120.200 0.364 0.000 2.038 370 E HA -0.247 4.101 4.350 -0.002 0.000 0.195 370 E C 1.895 178.746 176.600 0.418 0.000 1.000 370 E CA 1.102 57.726 56.400 0.373 0.000 0.803 370 E CB -0.732 29.244 29.700 0.461 0.000 0.750 370 E HN 0.010 nan 8.360 nan 0.000 0.448 371 F N 1.197 121.321 119.950 0.290 0.000 2.043 371 F HA -0.270 4.255 4.527 -0.002 0.000 0.297 371 F C 2.088 177.954 175.800 0.111 0.000 1.118 371 F CA 2.141 60.246 58.000 0.176 0.000 1.202 371 F CB -1.076 37.962 39.000 0.064 0.000 0.965 371 F HN 0.297 nan 8.300 nan 0.000 0.482 372 W N 1.421 122.431 121.300 -0.484 0.000 2.285 372 W HA -0.395 4.264 4.660 -0.003 0.000 0.333 372 W C 2.520 178.786 176.519 -0.422 0.000 1.290 372 W CA 2.206 59.157 57.345 -0.657 0.000 1.234 372 W CB -0.788 28.501 29.460 -0.285 0.000 1.154 372 W HN 0.225 nan 8.180 nan 0.000 0.463 373 Q N -1.390 118.456 119.800 0.076 0.000 2.062 373 Q HA -0.371 3.967 4.340 -0.002 0.000 0.209 373 Q C 2.200 178.185 176.000 -0.025 0.000 0.996 373 Q CA 2.318 58.142 55.803 0.034 0.000 0.859 373 Q CB -1.153 27.732 28.738 0.245 0.000 0.920 373 Q HN 0.607 nan 8.270 nan 0.000 0.415 374 H N 0.482 119.548 119.070 -0.007 0.000 2.289 374 H HA -0.173 4.382 4.556 -0.003 0.000 0.296 374 H C 2.368 177.603 175.328 -0.154 0.000 1.091 374 H CA 1.648 57.710 56.048 0.024 0.000 1.274 374 H CB 0.108 29.939 29.762 0.114 0.000 1.364 374 H HN 0.078 nan 8.280 nan 0.000 0.490 375 R N -0.384 119.848 120.500 -0.447 0.000 2.152 375 R HA -0.100 4.239 4.340 -0.002 0.000 0.232 375 R C 1.240 177.304 176.300 -0.392 0.000 1.117 375 R CA 1.781 57.485 56.100 -0.661 0.000 0.981 375 R CB -0.050 29.514 30.300 -1.226 0.000 0.870 375 R HN 0.414 nan 8.270 nan 0.000 0.451 376 F N -0.467 119.152 119.950 -0.552 0.000 2.706 376 F HA 0.211 4.737 4.527 -0.002 0.000 0.313 376 F C 0.008 175.494 175.800 -0.523 0.000 1.096 376 F CA -0.741 56.925 58.000 -0.556 0.000 1.219 376 F CB 0.691 39.229 39.000 -0.771 0.000 1.051 376 F HN -0.027 nan 8.300 nan 0.000 0.568 377 Q N 0.980 120.516 119.800 -0.440 0.000 2.452 377 Q HA -0.236 4.103 4.340 -0.002 0.000 0.318 377 Q C -0.219 175.062 176.000 -1.200 0.000 1.386 377 Q CA 0.527 55.642 55.803 -1.147 0.000 0.872 377 Q CB -2.113 26.188 28.738 -0.729 0.000 1.151 377 Q HN 0.594 nan 8.270 nan 0.000 0.417 378 c N -1.522 116.676 118.600 -0.670 0.000 3.235 378 c HA 0.925 5.494 4.570 -0.002 0.000 0.351 378 c C -0.415 173.733 174.090 0.097 0.000 1.520 378 c CA -1.010 55.185 56.329 -0.224 0.000 1.474 378 c CB 2.116 44.562 42.510 -0.107 0.000 2.019 378 c HN 0.620 nan 8.230 nan 0.000 0.446 379 R N 0.726 121.328 120.500 0.170 0.000 2.686 379 R HA 0.741 5.079 4.340 -0.002 0.000 0.283 379 R C -1.579 174.841 176.300 0.200 0.000 0.978 379 R CA -0.795 55.444 56.100 0.232 0.000 0.897 379 R CB 1.043 31.485 30.300 0.237 0.000 1.192 379 R HN 0.745 nan 8.270 nan 0.000 0.457 380 L N 2.568 123.929 121.223 0.230 0.000 2.282 380 L HA 0.391 4.729 4.340 -0.002 0.000 0.287 380 L C -2.133 174.859 176.870 0.203 0.000 1.075 380 L CA -2.316 52.662 54.840 0.229 0.000 0.839 380 L CB 0.710 42.974 42.059 0.341 0.000 1.219 380 L HN 0.311 nan 8.230 nan 0.000 0.434 381 P HA 0.042 nan 4.420 nan 0.000 0.266 381 P C 1.044 178.420 177.300 0.126 0.000 1.195 381 P CA 0.522 63.693 63.100 0.118 0.000 0.768 381 P CB 0.962 32.713 31.700 0.086 0.000 0.838 382 G N 0.723 109.590 108.800 0.112 0.000 2.196 382 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.268 382 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.268 382 G C 0.277 175.273 174.900 0.159 0.000 0.975 382 G CA 0.447 45.610 45.100 0.104 0.000 0.648 382 G HN 0.844 nan 8.290 nan 0.000 0.538 383 H N -0.193 118.911 119.070 0.056 0.000 2.511 383 H HA 0.500 5.055 4.556 -0.002 0.000 0.346 383 H C 1.786 177.152 175.328 0.063 0.000 1.128 383 H CA -0.378 55.705 56.048 0.060 0.000 1.342 383 H CB 0.856 30.662 29.762 0.074 0.000 1.470 383 H HN 0.099 nan 8.280 nan 0.000 0.546 384 L N 3.992 125.292 121.223 0.129 0.000 1.957 384 L HA -0.234 4.104 4.340 -0.002 0.000 0.228 384 L C 0.858 177.614 176.870 -0.190 0.000 1.086 384 L CA 1.511 56.316 54.840 -0.059 0.000 0.796 384 L CB -0.272 41.771 42.059 -0.026 0.000 0.900 384 L HN 0.675 nan 8.230 nan 0.000 0.439 385 L N 1.302 122.257 121.223 -0.446 0.000 2.546 385 L HA -0.041 4.298 4.340 -0.002 0.000 0.272 385 L C 0.312 177.104 176.870 -0.130 0.000 1.327 385 L CA 0.231 54.931 54.840 -0.234 0.000 1.199 385 L CB -0.810 41.121 42.059 -0.212 0.000 1.401 385 L HN 0.371 nan 8.230 nan 0.000 0.440 386 E N 2.381 122.562 120.200 -0.031 0.000 2.249 386 E HA 0.298 4.647 4.350 -0.002 0.000 0.263 386 E C -0.721 175.907 176.600 0.045 0.000 0.950 386 E CA -0.828 55.598 56.400 0.044 0.000 0.827 386 E CB 1.660 31.394 29.700 0.058 0.000 1.220 386 E HN 0.316 nan 8.360 nan 0.000 0.411 387 N N 2.498 121.237 118.700 0.065 0.000 2.346 387 N HA 0.266 5.004 4.740 -0.002 0.000 0.289 387 N C -2.258 173.210 175.510 -0.071 0.000 1.027 387 N CA -1.811 51.228 53.050 -0.017 0.000 0.864 387 N CB 1.980 40.498 38.487 0.051 0.000 1.370 387 N HN 0.298 nan 8.380 nan 0.000 0.481 388 P HA 0.133 nan 4.420 nan 0.000 0.245 388 P C 0.661 177.841 177.300 -0.200 0.000 1.203 388 P CA 0.248 63.278 63.100 -0.118 0.000 0.792 388 P CB 0.849 32.495 31.700 -0.090 0.000 0.997 389 N N 0.443 118.881 118.700 -0.436 0.000 2.051 389 N HA -0.021 4.717 4.740 -0.002 0.000 0.192 389 N C 0.620 175.899 175.510 -0.386 0.000 1.049 389 N CA 1.076 53.809 53.050 -0.529 0.000 0.845 389 N CB -0.414 37.533 38.487 -0.900 0.000 1.031 389 N HN 0.167 nan 8.380 nan 0.000 0.425 390 F N -0.594 119.362 119.950 0.010 0.000 2.497 390 F HA 0.555 5.081 4.527 -0.003 0.000 0.331 390 F C 1.015 176.825 175.800 0.016 0.000 1.060 390 F CA -1.072 56.935 58.000 0.011 0.000 0.989 390 F CB 0.862 39.870 39.000 0.012 0.000 1.245 390 F HN -0.288 nan 8.300 nan 0.000 0.486 391 K N -0.583 119.987 120.400 0.284 0.000 2.438 391 K HA 0.101 4.419 4.320 -0.002 0.000 0.206 391 K C -0.059 176.615 176.600 0.124 0.000 1.081 391 K CA -0.340 56.051 56.287 0.172 0.000 1.053 391 K CB 0.670 33.229 32.500 0.099 0.000 0.908 391 K HN 0.568 nan 8.250 nan 0.000 0.556 392 K N 2.912 123.372 120.400 0.099 0.000 2.336 392 K HA 0.097 4.416 4.320 -0.002 0.000 0.290 392 K C -0.180 176.436 176.600 0.026 0.000 1.067 392 K CA -0.180 56.124 56.287 0.030 0.000 0.962 392 K CB 0.387 32.871 32.500 -0.025 0.000 1.008 392 K HN -0.210 nan 8.250 nan 0.000 0.467 393 V N 4.157 124.098 119.914 0.044 0.000 3.237 393 V HA -0.032 4.087 4.120 -0.002 0.000 0.305 393 V C 0.413 176.529 176.094 0.037 0.000 1.096 393 V CA -0.822 61.513 62.300 0.059 0.000 1.130 393 V CB 0.617 32.480 31.823 0.066 0.000 1.048 393 V HN 0.878 nan 8.190 nan 0.000 0.484 394 c N 2.167 120.812 118.600 0.076 0.000 2.452 394 c HA 0.367 4.936 4.570 -0.002 0.000 0.379 394 c C 1.999 176.144 174.090 0.091 0.000 1.275 394 c CA 0.074 56.456 56.329 0.089 0.000 2.056 394 c CB 0.202 42.838 42.510 0.209 0.000 2.506 394 c HN 1.055 nan 8.230 nan 0.000 0.560 395 T N -0.794 113.795 114.554 0.059 0.000 2.951 395 T HA 0.204 4.553 4.350 -0.002 0.000 0.268 395 T C 1.601 176.363 174.700 0.104 0.000 1.073 395 T CA 1.432 63.563 62.100 0.051 0.000 1.134 395 T CB -0.328 68.540 68.868 -0.000 0.000 0.884 395 T HN 1.828 nan 8.240 nan 0.000 0.479 396 G N 1.543 110.468 108.800 0.207 0.000 2.217 396 G HA2 -0.215 3.743 3.960 -0.002 0.000 0.246 396 G HA3 -0.215 3.743 3.960 -0.002 0.000 0.246 396 G C 0.142 175.182 174.900 0.232 0.000 0.990 396 G CA 0.052 45.300 45.100 0.247 0.000 0.627 396 G HN 0.601 nan 8.290 nan 0.000 0.522 397 N N 1.404 120.207 118.700 0.171 0.000 2.844 397 N HA 0.414 5.153 4.740 -0.002 0.000 0.268 397 N C -0.998 174.553 175.510 0.067 0.000 1.574 397 N CA -0.038 53.084 53.050 0.121 0.000 0.838 397 N CB 1.209 39.725 38.487 0.048 0.000 1.177 397 N HN 0.518 nan 8.380 nan 0.000 0.495 398 E N -0.074 120.205 120.200 0.131 0.000 2.222 398 E HA 0.349 4.698 4.350 -0.002 0.000 0.267 398 E C -0.814 175.819 176.600 0.054 0.000 0.884 398 E CA -0.549 55.773 56.400 -0.131 0.000 0.764 398 E CB 2.002 31.280 29.700 -0.702 0.000 1.169 398 E HN -0.026 nan 8.360 nan 0.000 0.413 399 S N 1.813 117.483 115.700 -0.050 0.000 2.537 399 S HA 0.175 4.643 4.470 -0.002 0.000 0.275 399 S C 0.616 175.307 174.600 0.152 0.000 1.272 399 S CA -0.497 57.742 58.200 0.065 0.000 1.050 399 S CB 0.332 63.538 63.200 0.009 0.000 0.961 399 S HN 0.458 nan 8.310 nan 0.000 0.496 400 L N 4.082 125.414 121.223 0.183 0.000 2.551 400 L HA 0.109 4.448 4.340 -0.002 0.000 0.228 400 L C 2.157 179.113 176.870 0.145 0.000 1.153 400 L CA 0.799 55.732 54.840 0.155 0.000 0.851 400 L CB -0.588 41.434 42.059 -0.062 0.000 0.959 400 L HN 0.646 nan 8.230 nan 0.000 0.451 401 E N 1.344 121.605 120.200 0.102 0.000 2.284 401 E HA -0.232 4.117 4.350 -0.002 0.000 0.200 401 E C 0.582 177.271 176.600 0.149 0.000 1.008 401 E CA 0.898 57.380 56.400 0.135 0.000 0.829 401 E CB -0.394 29.352 29.700 0.075 0.000 0.744 401 E HN 0.740 nan 8.360 nan 0.000 0.491 402 E N 1.984 122.250 120.200 0.110 0.000 2.238 402 E HA -0.018 4.330 4.350 -0.002 0.000 0.264 402 E C -0.077 176.599 176.600 0.125 0.000 1.136 402 E CA -0.133 56.314 56.400 0.079 0.000 0.929 402 E CB -0.074 29.633 29.700 0.011 0.000 1.010 402 E HN -0.023 nan 8.360 nan 0.000 0.440 403 N N 1.163 119.926 118.700 0.106 0.000 2.753 403 N HA -0.277 4.462 4.740 -0.002 0.000 0.251 403 N C -0.678 174.917 175.510 0.142 0.000 1.097 403 N CA 1.076 54.182 53.050 0.094 0.000 0.786 403 N CB -1.792 36.733 38.487 0.064 0.000 1.137 403 N HN 0.686 nan 8.380 nan 0.000 0.566 404 Y N 1.507 121.859 120.300 0.087 0.000 2.610 404 Y HA 0.296 4.844 4.550 -0.003 0.000 0.332 404 Y C 0.040 175.999 175.900 0.098 0.000 1.201 404 Y CA -0.104 58.070 58.100 0.123 0.000 1.465 404 Y CB 0.742 39.306 38.460 0.174 0.000 1.283 404 Y HN -0.045 nan 8.280 nan 0.000 0.563 405 V N 7.466 127.039 119.914 -0.569 0.000 2.532 405 V HA 0.126 4.244 4.120 -0.002 0.000 0.294 405 V C -0.458 175.287 176.094 -0.581 0.000 1.036 405 V CA -1.184 60.772 62.300 -0.573 0.000 0.876 405 V CB 1.442 33.137 31.823 -0.214 0.000 1.012 405 V HN 0.808 nan 8.190 nan 0.000 0.432 406 Q N 2.821 122.239 119.800 -0.635 0.000 2.286 406 Q HA -0.014 4.325 4.340 -0.002 0.000 0.290 406 Q C 0.100 176.053 176.000 -0.078 0.000 1.049 406 Q CA 0.107 55.812 55.803 -0.163 0.000 0.923 406 Q CB 0.630 29.377 28.738 0.016 0.000 1.183 406 Q HN 0.792 nan 8.270 nan 0.000 0.383 407 D N 1.694 122.075 120.400 -0.032 0.000 2.571 407 D HA -0.105 4.534 4.640 -0.002 0.000 0.231 407 D C 0.572 176.874 176.300 0.003 0.000 1.133 407 D CA 0.684 54.672 54.000 -0.020 0.000 0.862 407 D CB 0.786 41.581 40.800 -0.009 0.000 1.179 407 D HN 0.582 nan 8.370 nan 0.000 0.474 408 S N 2.990 118.715 115.700 0.042 0.000 2.607 408 S HA 0.016 4.484 4.470 -0.002 0.000 0.224 408 S C 1.077 175.740 174.600 0.106 0.000 0.969 408 S CA 0.270 58.502 58.200 0.054 0.000 0.927 408 S CB 0.244 63.477 63.200 0.056 0.000 0.772 408 S HN 0.443 nan 8.310 nan 0.000 0.533 409 K N 0.018 120.517 120.400 0.165 0.000 2.438 409 K HA 0.334 4.653 4.320 -0.002 0.000 0.206 409 K C 1.251 177.976 176.600 0.209 0.000 1.081 409 K CA -0.011 56.425 56.287 0.249 0.000 1.053 409 K CB -0.013 32.691 32.500 0.340 0.000 0.908 409 K HN 0.350 nan 8.250 nan 0.000 0.556 410 M N 1.549 121.189 119.600 0.066 0.000 2.124 410 M HA -0.228 4.250 4.480 -0.002 0.000 0.253 410 M C 1.767 178.055 176.300 -0.019 0.000 1.077 410 M CA 2.352 57.619 55.300 -0.055 0.000 1.085 410 M CB -0.874 31.592 32.600 -0.222 0.000 1.320 410 M HN 0.208 nan 8.290 nan 0.000 0.404 411 G N -0.558 108.214 108.800 -0.046 0.000 2.679 411 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.217 411 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.217 411 G C 1.209 176.122 174.900 0.022 0.000 1.267 411 G CA 1.287 46.333 45.100 -0.091 0.000 0.799 411 G HN 0.498 nan 8.290 nan 0.000 0.606 412 F N 0.782 120.790 119.950 0.097 0.000 2.063 412 F HA -0.212 4.314 4.527 -0.002 0.000 0.297 412 F C 3.037 178.914 175.800 0.128 0.000 1.099 412 F CA 1.168 59.263 58.000 0.157 0.000 1.220 412 F CB -1.255 37.895 39.000 0.250 0.000 0.972 412 F HN -0.011 nan 8.300 nan 0.000 0.487 413 V N 0.794 120.909 119.914 0.335 0.000 2.226 413 V HA -0.385 3.734 4.120 -0.002 0.000 0.254 413 V C 2.387 178.454 176.094 -0.045 0.000 1.065 413 V CA 2.465 64.698 62.300 -0.112 0.000 1.039 413 V CB -0.829 30.994 31.823 0.000 0.000 0.653 413 V HN 0.326 nan 8.190 nan 0.000 0.450 414 I N -0.012 120.579 120.570 0.034 0.000 2.118 414 I HA -0.291 3.878 4.170 -0.002 0.000 0.241 414 I C 2.254 178.460 176.117 0.147 0.000 1.070 414 I CA 2.234 63.587 61.300 0.088 0.000 1.327 414 I CB -0.701 37.330 38.000 0.051 0.000 1.034 414 I HN 0.358 nan 8.210 nan 0.000 0.405 415 N N 0.764 119.527 118.700 0.105 0.000 2.272 415 N HA -0.133 4.605 4.740 -0.002 0.000 0.185 415 N C 1.787 177.468 175.510 0.285 0.000 1.014 415 N CA 1.358 54.500 53.050 0.153 0.000 0.870 415 N CB -0.225 38.403 38.487 0.235 0.000 0.975 415 N HN 0.405 nan 8.380 nan 0.000 0.433 416 A N 0.804 123.751 122.820 0.211 0.000 1.845 416 A HA -0.107 4.211 4.320 -0.002 0.000 0.215 416 A C 2.183 179.862 177.584 0.158 0.000 1.195 416 A CA 0.993 53.134 52.037 0.174 0.000 0.616 416 A CB -0.797 18.203 19.000 -0.001 0.000 0.832 416 A HN 0.226 nan 8.150 nan 0.000 0.443 417 I N -1.770 118.859 120.570 0.097 0.000 2.091 417 I HA -0.384 3.785 4.170 -0.002 0.000 0.240 417 I C 2.494 178.658 176.117 0.078 0.000 1.046 417 I CA 2.191 63.531 61.300 0.065 0.000 1.306 417 I CB -0.563 37.475 38.000 0.063 0.000 1.018 417 I HN 0.451 nan 8.210 nan 0.000 0.404 418 Y N 0.600 120.861 120.300 -0.065 0.000 2.053 418 Y HA -0.360 4.188 4.550 -0.003 0.000 0.277 418 Y C 2.642 178.571 175.900 0.050 0.000 1.159 418 Y CA 1.849 59.870 58.100 -0.132 0.000 1.125 418 Y CB -1.072 37.129 38.460 -0.432 0.000 0.969 418 Y HN 0.215 nan 8.280 nan 0.000 0.492 419 A N -0.313 122.735 122.820 0.380 0.000 1.915 419 A HA -0.355 3.963 4.320 -0.002 0.000 0.220 419 A C 2.225 180.035 177.584 0.377 0.000 1.198 419 A CA 2.470 54.905 52.037 0.663 0.000 0.647 419 A CB -0.956 18.499 19.000 0.758 0.000 0.825 419 A HN 0.505 nan 8.150 nan 0.000 0.456 420 M N -0.374 119.352 119.600 0.210 0.000 2.549 420 M HA 0.086 4.565 4.480 -0.002 0.000 0.260 420 M C 1.775 178.104 176.300 0.050 0.000 1.076 420 M CA 1.262 56.619 55.300 0.095 0.000 1.090 420 M CB -0.555 32.064 32.600 0.032 0.000 1.418 420 M HN 0.400 nan 8.290 nan 0.000 0.486 421 A N -1.737 121.107 122.820 0.039 0.000 1.924 421 A HA 0.006 4.324 4.320 -0.002 0.000 0.211 421 A C 2.024 179.578 177.584 -0.050 0.000 1.198 421 A CA 0.640 52.635 52.037 -0.070 0.000 0.657 421 A CB -0.841 18.034 19.000 -0.209 0.000 0.852 421 A HN 0.581 nan 8.150 nan 0.000 0.454 422 H N 0.018 119.121 119.070 0.055 0.000 2.352 422 H HA -0.151 4.403 4.556 -0.003 0.000 0.299 422 H C 2.437 177.811 175.328 0.077 0.000 1.097 422 H CA 1.662 57.777 56.048 0.112 0.000 1.311 422 H CB -0.446 29.496 29.762 0.300 0.000 1.377 422 H HN 0.499 nan 8.280 nan 0.000 0.504 423 G N 1.156 110.086 108.800 0.216 0.000 2.514 423 G HA2 -0.237 3.721 3.960 -0.002 0.000 0.217 423 G HA3 -0.237 3.721 3.960 -0.002 0.000 0.217 423 G C 1.961 176.871 174.900 0.018 0.000 1.198 423 G CA 0.957 46.134 45.100 0.128 0.000 0.780 423 G HN 0.258 nan 8.290 nan 0.000 0.565 424 L N 0.241 121.460 121.223 -0.007 0.000 2.013 424 L HA -0.234 4.104 4.340 -0.002 0.000 0.212 424 L C 2.988 179.779 176.870 -0.131 0.000 1.073 424 L CA 2.017 56.819 54.840 -0.063 0.000 0.753 424 L CB -0.609 41.407 42.059 -0.071 0.000 0.890 424 L HN 0.366 nan 8.230 nan 0.000 0.432 425 Q N 0.563 120.270 119.800 -0.154 0.000 2.002 425 Q HA -0.216 4.123 4.340 -0.002 0.000 0.204 425 Q C 1.946 177.772 176.000 -0.291 0.000 0.988 425 Q CA 2.085 57.736 55.803 -0.254 0.000 0.843 425 Q CB -0.167 28.422 28.738 -0.249 0.000 0.908 425 Q HN 0.378 nan 8.270 nan 0.000 0.420 426 N N -0.038 118.586 118.700 -0.127 0.000 2.223 426 N HA -0.142 4.597 4.740 -0.002 0.000 0.185 426 N C 1.605 176.935 175.510 -0.301 0.000 1.016 426 N CA 1.504 54.520 53.050 -0.058 0.000 0.863 426 N CB -0.411 38.132 38.487 0.094 0.000 0.983 426 N HN 0.529 nan 8.380 nan 0.000 0.429 427 M N 0.393 119.665 119.600 -0.547 0.000 2.117 427 M HA -0.164 4.314 4.480 -0.002 0.000 0.262 427 M C 2.073 178.022 176.300 -0.585 0.000 1.065 427 M CA 1.635 56.212 55.300 -1.205 0.000 1.114 427 M CB -0.334 31.752 32.600 -0.857 0.000 1.361 427 M HN 0.184 nan 8.290 nan 0.000 0.408 428 H N -0.754 118.086 119.070 -0.383 0.000 2.524 428 H HA -0.129 4.426 4.556 -0.003 0.000 0.282 428 H C 1.160 176.416 175.328 -0.120 0.000 1.016 428 H CA 1.668 57.580 56.048 -0.227 0.000 1.270 428 H CB -0.446 29.184 29.762 -0.221 0.000 1.394 428 H HN 0.671 nan 8.280 nan 0.000 0.568 429 H N -0.520 118.452 119.070 -0.163 0.000 2.395 429 H HA 0.030 4.584 4.556 -0.003 0.000 0.299 429 H C 2.261 177.486 175.328 -0.171 0.000 1.070 429 H CA 0.947 56.902 56.048 -0.155 0.000 1.356 429 H CB 0.509 30.244 29.762 -0.045 0.000 1.401 429 H HN 0.484 nan 8.280 nan 0.000 0.524 430 A N 0.395 123.177 122.820 -0.063 0.000 1.871 430 A HA 0.021 4.339 4.320 -0.002 0.000 0.211 430 A C 2.082 179.665 177.584 -0.002 0.000 1.207 430 A CA 0.483 52.515 52.037 -0.010 0.000 0.620 430 A CB -0.444 18.585 19.000 0.049 0.000 0.860 430 A HN 0.270 nan 8.150 nan 0.000 0.450 431 L N -0.896 120.296 121.223 -0.050 0.000 2.492 431 L HA 0.011 4.350 4.340 -0.002 0.000 0.223 431 L C -0.049 176.781 176.870 -0.067 0.000 1.132 431 L CA 0.147 54.992 54.840 0.008 0.000 0.850 431 L CB 0.245 42.347 42.059 0.073 0.000 0.966 431 L HN 0.383 nan 8.230 nan 0.000 0.454 432 c N 0.867 119.358 118.600 -0.182 0.000 3.414 432 c HA 0.325 4.894 4.570 -0.002 0.000 0.208 432 c C -2.306 171.669 174.090 -0.191 0.000 1.422 432 c CA -1.413 54.780 56.329 -0.228 0.000 1.437 432 c CB 0.174 42.462 42.510 -0.369 0.000 1.850 432 c HN 0.065 nan 8.230 nan 0.000 0.481 433 P HA 0.299 nan 4.420 nan 0.000 0.280 433 P C 0.922 178.223 177.300 0.002 0.000 1.244 433 P CA 1.283 64.389 63.100 0.010 0.000 0.784 433 P CB 1.004 32.713 31.700 0.015 0.000 0.913 434 G N 2.073 110.846 108.800 -0.044 0.000 2.220 434 G HA2 -0.265 3.693 3.960 -0.002 0.000 0.269 434 G HA3 -0.265 3.693 3.960 -0.002 0.000 0.269 434 G C 0.054 174.850 174.900 -0.174 0.000 0.977 434 G CA 0.298 45.331 45.100 -0.112 0.000 0.634 434 G HN 0.700 nan 8.290 nan 0.000 0.539 435 H N -0.537 118.537 119.070 0.007 0.000 2.610 435 H HA 0.460 5.014 4.556 -0.002 0.000 0.336 435 H C 1.670 177.089 175.328 0.152 0.000 1.087 435 H CA -0.019 56.062 56.048 0.055 0.000 1.405 435 H CB 1.587 31.368 29.762 0.032 0.000 1.460 435 H HN 0.014 nan 8.280 nan 0.000 0.538 436 V N 2.517 122.559 119.914 0.212 0.000 2.256 436 V HA -0.034 4.085 4.120 -0.002 0.000 0.240 436 V C 1.725 177.900 176.094 0.136 0.000 1.036 436 V CA 1.794 64.184 62.300 0.149 0.000 1.008 436 V CB -0.806 31.064 31.823 0.078 0.000 0.648 436 V HN 0.905 nan 8.190 nan 0.000 0.453 437 G N -0.354 108.513 108.800 0.111 0.000 2.928 437 G HA2 0.409 4.368 3.960 -0.002 0.000 0.163 437 G HA3 0.409 4.368 3.960 -0.002 0.000 0.163 437 G C -0.268 174.683 174.900 0.085 0.000 1.573 437 G CA -0.709 44.413 45.100 0.035 0.000 1.084 437 G HN 0.236 nan 8.290 nan 0.000 0.569 438 L N 0.745 121.991 121.223 0.038 0.000 2.305 438 L HA 0.310 4.649 4.340 -0.002 0.000 0.281 438 L C 0.701 177.582 176.870 0.019 0.000 1.085 438 L CA -0.754 54.122 54.840 0.060 0.000 0.813 438 L CB 0.860 42.925 42.059 0.009 0.000 1.157 438 L HN 0.628 nan 8.230 nan 0.000 0.436 439 c N 0.461 119.037 118.600 -0.039 0.000 2.351 439 c HA 0.338 4.906 4.570 -0.002 0.000 0.359 439 c C 1.486 175.481 174.090 -0.157 0.000 1.193 439 c CA -0.720 55.464 56.329 -0.242 0.000 2.270 439 c CB 1.303 43.403 42.510 -0.682 0.000 2.369 439 c HN 0.925 nan 8.230 nan 0.000 0.553 440 D N 1.323 121.629 120.400 -0.157 0.000 2.191 440 D HA -0.143 4.495 4.640 -0.002 0.000 0.195 440 D C 2.210 178.480 176.300 -0.050 0.000 1.003 440 D CA 2.534 56.487 54.000 -0.077 0.000 0.867 440 D CB -0.096 40.666 40.800 -0.064 0.000 0.926 440 D HN 0.849 nan 8.370 nan 0.000 0.450 441 A N -0.422 122.360 122.820 -0.063 0.000 2.070 441 A HA -0.116 4.203 4.320 -0.002 0.000 0.220 441 A C 1.966 179.556 177.584 0.011 0.000 1.159 441 A CA 1.009 53.037 52.037 -0.016 0.000 0.656 441 A CB -0.309 18.685 19.000 -0.010 0.000 0.800 441 A HN 0.236 nan 8.150 nan 0.000 0.453 442 M N -1.288 118.311 119.600 -0.001 0.000 2.428 442 M HA 0.108 4.587 4.480 -0.002 0.000 0.239 442 M C -0.338 175.970 176.300 0.013 0.000 1.121 442 M CA 0.443 55.755 55.300 0.021 0.000 1.019 442 M CB 0.349 32.966 32.600 0.028 0.000 1.485 442 M HN 0.079 nan 8.290 nan 0.000 0.484 443 K N 2.103 122.504 120.400 0.001 0.000 2.404 443 K HA 0.352 4.671 4.320 -0.002 0.000 0.257 443 K C -2.342 174.260 176.600 0.005 0.000 1.026 443 K CA -1.397 54.890 56.287 0.000 0.000 0.951 443 K CB 1.307 33.801 32.500 -0.009 0.000 1.203 443 K HN 0.003 nan 8.250 nan 0.000 0.446 444 P HA 0.306 nan 4.420 nan 0.000 0.284 444 P C -0.150 177.166 177.300 0.026 0.000 1.292 444 P CA -0.684 62.425 63.100 0.015 0.000 0.800 444 P CB 0.883 32.592 31.700 0.014 0.000 1.188 445 I N 1.042 121.630 120.570 0.029 0.000 2.517 445 I HA -0.011 4.158 4.170 -0.002 0.000 0.285 445 I C 0.897 177.048 176.117 0.057 0.000 1.106 445 I CA 0.262 61.589 61.300 0.045 0.000 1.402 445 I CB -0.101 37.922 38.000 0.038 0.000 1.399 445 I HN 0.298 nan 8.210 nan 0.000 0.535 446 D N 6.250 126.695 120.400 0.075 0.000 2.339 446 D HA 0.094 4.732 4.640 -0.002 0.000 0.241 446 D C 1.041 177.401 176.300 0.101 0.000 1.183 446 D CA -0.133 53.914 54.000 0.080 0.000 0.859 446 D CB 1.699 42.543 40.800 0.074 0.000 1.067 446 D HN 0.719 nan 8.370 nan 0.000 0.484 447 G N 4.269 113.132 108.800 0.105 0.000 2.402 447 G HA2 -0.280 3.678 3.960 -0.002 0.000 0.216 447 G HA3 -0.280 3.678 3.960 -0.002 0.000 0.216 447 G C 1.502 176.527 174.900 0.208 0.000 1.162 447 G CA 0.391 45.577 45.100 0.143 0.000 0.777 447 G HN 0.561 nan 8.290 nan 0.000 0.539 448 R N 0.399 121.029 120.500 0.218 0.000 2.159 448 R HA -0.041 4.297 4.340 -0.002 0.000 0.237 448 R C 2.336 178.648 176.300 0.020 0.000 1.131 448 R CA 1.532 57.754 56.100 0.203 0.000 0.982 448 R CB -0.126 30.271 30.300 0.162 0.000 0.868 448 R HN 0.304 nan 8.270 nan 0.000 0.453 449 K N -0.300 120.111 120.400 0.018 0.000 2.099 449 K HA -0.046 4.273 4.320 -0.002 0.000 0.203 449 K C 1.819 178.399 176.600 -0.034 0.000 1.047 449 K CA 0.511 56.744 56.287 -0.090 0.000 0.963 449 K CB -0.170 32.326 32.500 -0.007 0.000 0.759 449 K HN 0.055 nan 8.250 nan 0.000 0.451 450 L N 2.014 123.326 121.223 0.148 0.000 2.197 450 L HA -0.185 4.153 4.340 -0.002 0.000 0.215 450 L C 1.880 178.814 176.870 0.107 0.000 1.095 450 L CA 1.346 56.316 54.840 0.217 0.000 0.764 450 L CB -0.593 41.554 42.059 0.147 0.000 0.897 450 L HN 0.128 nan 8.230 nan 0.000 0.436 451 L N -0.691 120.532 121.223 -0.000 0.000 2.005 451 L HA -0.174 4.165 4.340 -0.002 0.000 0.207 451 L C 2.126 178.912 176.870 -0.140 0.000 1.072 451 L CA 1.938 56.712 54.840 -0.110 0.000 0.744 451 L CB -0.837 41.074 42.059 -0.247 0.000 0.895 451 L HN 0.277 nan 8.230 nan 0.000 0.433 452 D N -1.028 119.260 120.400 -0.187 0.000 2.218 452 D HA -0.171 4.468 4.640 -0.002 0.000 0.204 452 D C 2.048 178.287 176.300 -0.101 0.000 0.976 452 D CA 1.150 55.026 54.000 -0.208 0.000 0.853 452 D CB -0.032 40.570 40.800 -0.330 0.000 0.939 452 D HN 0.317 nan 8.370 nan 0.000 0.481 453 F N 0.712 120.643 119.950 -0.032 0.000 2.293 453 F HA 0.046 4.572 4.527 -0.002 0.000 0.297 453 F C 2.325 178.120 175.800 -0.008 0.000 1.089 453 F CA 0.196 58.196 58.000 -0.000 0.000 1.377 453 F CB -0.549 38.461 39.000 0.017 0.000 1.051 453 F HN -0.077 nan 8.300 nan 0.000 0.511 454 L N -0.754 120.539 121.223 0.117 0.000 1.993 454 L HA -0.186 4.152 4.340 -0.002 0.000 0.206 454 L C 2.449 179.209 176.870 -0.185 0.000 1.074 454 L CA 0.759 55.576 54.840 -0.039 0.000 0.746 454 L CB -0.536 41.427 42.059 -0.160 0.000 0.896 454 L HN -0.014 nan 8.230 nan 0.000 0.435 455 I N 0.529 120.941 120.570 -0.263 0.000 2.143 455 I HA -0.340 3.828 4.170 -0.002 0.000 0.245 455 I C 1.601 177.715 176.117 -0.005 0.000 1.068 455 I CA 1.805 62.948 61.300 -0.262 0.000 1.326 455 I CB -0.874 37.031 38.000 -0.158 0.000 1.028 455 I HN 0.271 nan 8.210 nan 0.000 0.412 456 K N 0.624 121.055 120.400 0.052 0.000 2.911 456 K HA 0.151 4.470 4.320 -0.002 0.000 0.239 456 K C 0.089 176.786 176.600 0.163 0.000 1.090 456 K CA -0.111 56.250 56.287 0.123 0.000 1.225 456 K CB 0.199 32.761 32.500 0.103 0.000 1.087 456 K HN 0.074 nan 8.250 nan 0.000 0.464 457 S N 0.295 116.109 115.700 0.189 0.000 2.568 457 S HA 0.551 5.020 4.470 -0.002 0.000 0.302 457 S C -0.787 173.942 174.600 0.216 0.000 1.082 457 S CA -0.838 57.492 58.200 0.217 0.000 1.009 457 S CB 1.790 65.137 63.200 0.245 0.000 1.069 457 S HN 0.335 nan 8.310 nan 0.000 0.500 458 S N 1.399 117.147 115.700 0.080 0.000 2.542 458 S HA 0.819 5.287 4.470 -0.002 0.000 0.276 458 S C -1.178 173.302 174.600 -0.199 0.000 1.148 458 S CA -0.974 57.139 58.200 -0.144 0.000 0.886 458 S CB 0.784 63.947 63.200 -0.063 0.000 1.109 458 S HN 0.771 nan 8.310 nan 0.000 0.458 459 F N -0.595 119.278 119.950 -0.127 0.000 2.789 459 F HA 0.878 5.404 4.527 -0.003 0.000 0.319 459 F C -1.147 174.611 175.800 -0.070 0.000 1.168 459 F CA -1.528 56.364 58.000 -0.181 0.000 0.934 459 F CB 0.134 38.842 39.000 -0.488 0.000 1.375 459 F HN 0.490 nan 8.300 nan 0.000 0.480 460 V N 1.202 121.331 119.914 0.358 0.000 2.904 460 V HA 0.686 4.805 4.120 -0.002 0.000 0.305 460 V C 0.834 177.124 176.094 0.327 0.000 1.067 460 V CA 0.105 62.556 62.300 0.253 0.000 1.044 460 V CB 0.851 32.752 31.823 0.131 0.000 1.050 460 V HN 1.147 nan 8.190 nan 0.000 0.475 461 G N 0.196 109.095 108.800 0.164 0.000 2.509 461 G HA2 0.355 4.314 3.960 -0.002 0.000 0.269 461 G HA3 0.355 4.314 3.960 -0.002 0.000 0.269 461 G C 0.395 175.217 174.900 -0.129 0.000 1.416 461 G CA -0.020 45.117 45.100 0.063 0.000 1.052 461 G HN 0.640 nan 8.290 nan 0.000 0.542 462 V N -0.346 119.462 119.914 -0.177 0.000 3.514 462 V HA 0.281 4.399 4.120 -0.002 0.000 0.301 462 V C 1.163 177.215 176.094 -0.070 0.000 1.346 462 V CA 1.060 63.259 62.300 -0.169 0.000 1.156 462 V CB 0.216 31.921 31.823 -0.197 0.000 1.029 462 V HN 0.514 nan 8.190 nan 0.000 0.428 463 S N -0.495 115.175 115.700 -0.050 0.000 2.728 463 S HA 0.441 4.910 4.470 -0.002 0.000 0.257 463 S C 1.264 175.861 174.600 -0.004 0.000 1.060 463 S CA 0.466 58.651 58.200 -0.025 0.000 1.126 463 S CB 1.268 64.441 63.200 -0.045 0.000 1.099 463 S HN 0.893 nan 8.310 nan 0.000 0.617 464 G N 2.728 111.530 108.800 0.003 0.000 2.218 464 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.216 464 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.216 464 G C -0.053 174.869 174.900 0.038 0.000 0.994 464 G CA 0.012 45.127 45.100 0.024 0.000 0.637 464 G HN 0.578 nan 8.290 nan 0.000 0.505 465 E N 1.241 121.461 120.200 0.033 0.000 2.408 465 E HA 0.373 4.721 4.350 -0.002 0.000 0.259 465 E C -0.459 176.177 176.600 0.059 0.000 1.110 465 E CA 0.082 56.508 56.400 0.044 0.000 0.929 465 E CB 0.969 30.680 29.700 0.018 0.000 0.971 465 E HN 0.490 nan 8.360 nan 0.000 0.438 466 E N 0.686 120.917 120.200 0.052 0.000 2.179 466 E HA 0.399 4.748 4.350 -0.002 0.000 0.275 466 E C -0.974 175.655 176.600 0.047 0.000 0.945 466 E CA -0.845 55.575 56.400 0.034 0.000 0.792 466 E CB 2.153 31.853 29.700 0.001 0.000 1.125 466 E HN 0.290 nan 8.360 nan 0.000 0.397 467 V N 4.113 123.938 119.914 -0.148 0.000 2.769 467 V HA 0.575 4.694 4.120 -0.002 0.000 0.312 467 V C -0.535 175.404 176.094 -0.258 0.000 1.061 467 V CA -0.711 61.407 62.300 -0.304 0.000 0.931 467 V CB 1.208 32.639 31.823 -0.653 0.000 1.010 467 V HN 0.721 nan 8.190 nan 0.000 0.433 468 W N 2.561 123.467 121.300 -0.657 0.000 2.791 468 W HA 0.694 5.352 4.660 -0.002 0.000 0.419 468 W C -2.683 173.509 176.519 -0.545 0.000 1.082 468 W CA -1.606 55.478 57.345 -0.435 0.000 1.154 468 W CB 0.786 30.135 29.460 -0.186 0.000 1.472 468 W HN 0.365 nan 8.180 nan 0.000 0.584 469 F N 2.006 121.967 119.950 0.018 0.000 2.569 469 F HA 0.332 4.858 4.527 -0.002 0.000 0.312 469 F C 0.404 176.170 175.800 -0.056 0.000 1.109 469 F CA -0.757 57.155 58.000 -0.147 0.000 0.919 469 F CB 1.359 40.322 39.000 -0.061 0.000 1.211 469 F HN 0.148 nan 8.300 nan 0.000 0.446 470 D N 0.576 120.972 120.400 -0.007 0.000 2.384 470 D HA 0.083 4.722 4.640 -0.002 0.000 0.244 470 D C 1.078 177.434 176.300 0.093 0.000 1.251 470 D CA -0.345 53.694 54.000 0.064 0.000 0.961 470 D CB 0.449 41.239 40.800 -0.017 0.000 1.116 470 D HN 0.783 nan 8.370 nan 0.000 0.484 471 E N 0.595 120.842 120.200 0.078 0.000 2.049 471 E HA -0.328 4.021 4.350 -0.002 0.000 0.198 471 E C 1.494 178.110 176.600 0.026 0.000 1.007 471 E CA 1.052 57.479 56.400 0.045 0.000 0.809 471 E CB -0.352 29.368 29.700 0.032 0.000 0.749 471 E HN 0.434 nan 8.360 nan 0.000 0.450 472 K N 0.145 120.563 120.400 0.029 0.000 1.990 472 K HA -0.178 4.140 4.320 -0.002 0.000 0.225 472 K C 1.665 178.300 176.600 0.058 0.000 1.053 472 K CA 1.891 58.198 56.287 0.032 0.000 0.982 472 K CB -0.341 32.179 32.500 0.033 0.000 0.734 472 K HN 0.479 nan 8.250 nan 0.000 0.448 473 G N 0.093 108.943 108.800 0.083 0.000 4.199 473 G HA2 -0.055 3.904 3.960 -0.002 0.000 0.220 473 G HA3 -0.055 3.904 3.960 -0.002 0.000 0.220 473 G C -1.034 173.966 174.900 0.167 0.000 0.841 473 G CA -0.432 44.746 45.100 0.131 0.000 0.973 473 G HN 0.241 nan 8.290 nan 0.000 0.743 474 D N 0.417 120.856 120.400 0.066 0.000 2.268 474 D HA 0.794 5.433 4.640 -0.002 0.000 0.249 474 D C 0.705 176.876 176.300 -0.214 0.000 1.008 474 D CA 0.626 54.612 54.000 -0.023 0.000 0.939 474 D CB 1.820 42.609 40.800 -0.018 0.000 1.170 474 D HN 0.384 nan 8.370 nan 0.000 0.468 475 A N 0.980 123.616 122.820 -0.307 0.000 2.624 475 A HA 0.768 5.086 4.320 -0.002 0.000 0.267 475 A C -2.257 175.047 177.584 -0.467 0.000 1.282 475 A CA -0.793 50.905 52.037 -0.566 0.000 0.934 475 A CB 0.147 18.820 19.000 -0.545 0.000 1.510 475 A HN 0.505 nan 8.150 nan 0.000 0.477 476 P HA 0.528 nan 4.420 nan 0.000 0.312 476 P C -0.278 177.004 177.300 -0.030 0.000 1.308 476 P CA -0.013 62.969 63.100 -0.197 0.000 0.743 476 P CB 0.818 32.445 31.700 -0.121 0.000 1.364 477 G N -0.844 108.012 108.800 0.092 0.000 2.759 477 G HA2 0.582 4.541 3.960 -0.002 0.000 0.297 477 G HA3 0.582 4.541 3.960 -0.002 0.000 0.297 477 G C -1.503 173.468 174.900 0.118 0.000 1.434 477 G CA -0.727 44.422 45.100 0.082 0.000 0.980 477 G HN 0.379 nan 8.290 nan 0.000 0.531 478 R N 0.855 121.246 120.500 -0.182 0.000 2.483 478 R HA 0.476 4.815 4.340 -0.002 0.000 0.303 478 R C -1.668 174.535 176.300 -0.162 0.000 0.987 478 R CA -0.669 55.448 56.100 0.030 0.000 0.881 478 R CB 2.071 32.416 30.300 0.074 0.000 1.177 478 R HN 0.565 nan 8.270 nan 0.000 0.451 479 Y N 0.528 121.058 120.300 0.383 0.000 2.462 479 Y HA 0.296 4.845 4.550 -0.003 0.000 0.346 479 Y C -0.101 175.929 175.900 0.216 0.000 0.976 479 Y CA -1.026 57.223 58.100 0.250 0.000 1.044 479 Y CB 2.061 40.636 38.460 0.193 0.000 1.230 479 Y HN 0.365 nan 8.280 nan 0.000 0.455 480 D N 3.320 123.884 120.400 0.274 0.000 2.198 480 D HA 0.316 4.955 4.640 -0.002 0.000 0.245 480 D C -0.517 175.847 176.300 0.107 0.000 1.079 480 D CA -0.172 53.902 54.000 0.124 0.000 0.854 480 D CB 1.667 42.367 40.800 -0.166 0.000 1.148 480 D HN 0.273 nan 8.370 nan 0.000 0.456 481 I N 3.392 124.064 120.570 0.170 0.000 2.291 481 I HA 0.193 4.362 4.170 -0.002 0.000 0.290 481 I C 0.267 176.450 176.117 0.110 0.000 1.050 481 I CA -0.470 60.906 61.300 0.128 0.000 1.245 481 I CB 0.151 38.246 38.000 0.158 0.000 1.405 481 I HN 0.111 nan 8.210 nan 0.000 0.478 482 M N 5.575 125.191 119.600 0.026 0.000 2.318 482 M HA 0.373 4.852 4.480 -0.002 0.000 0.347 482 M C -0.143 176.172 176.300 0.024 0.000 1.175 482 M CA -0.316 55.010 55.300 0.043 0.000 1.075 482 M CB 1.071 33.693 32.600 0.037 0.000 1.614 482 M HN 0.495 nan 8.290 nan 0.000 0.456 483 N N 1.407 120.135 118.700 0.048 0.000 2.238 483 N HA 0.599 5.338 4.740 -0.002 0.000 0.302 483 N C -1.943 173.543 175.510 -0.040 0.000 1.072 483 N CA -0.687 52.362 53.050 -0.001 0.000 0.792 483 N CB 2.080 40.585 38.487 0.030 0.000 1.425 483 N HN 0.499 nan 8.380 nan 0.000 0.478 484 L N 2.502 123.662 121.223 -0.106 0.000 2.272 484 L HA 0.470 4.809 4.340 -0.002 0.000 0.289 484 L C -0.907 175.962 176.870 -0.002 0.000 1.032 484 L CA 0.223 54.961 54.840 -0.169 0.000 0.810 484 L CB 1.006 42.893 42.059 -0.287 0.000 1.205 484 L HN 0.647 nan 8.230 nan 0.000 0.422 485 Q N 2.776 122.605 119.800 0.048 0.000 2.615 485 Q HA 0.331 4.669 4.340 -0.002 0.000 0.298 485 Q C -1.739 174.344 176.000 0.139 0.000 1.023 485 Q CA -0.871 54.996 55.803 0.108 0.000 0.768 485 Q CB 1.917 30.698 28.738 0.071 0.000 1.500 485 Q HN 0.466 nan 8.270 nan 0.000 0.441 486 Y N 2.664 122.902 120.300 -0.102 0.000 2.504 486 Y HA 0.145 4.693 4.550 -0.003 0.000 0.351 486 Y C 0.025 175.804 175.900 -0.202 0.000 0.988 486 Y CA -0.676 57.233 58.100 -0.319 0.000 1.239 486 Y CB -0.263 38.019 38.460 -0.298 0.000 1.128 486 Y HN 0.643 nan 8.280 nan 0.000 0.525 487 T N 1.531 115.937 114.554 -0.247 0.000 2.663 487 T HA -0.043 4.305 4.350 -0.002 0.000 0.325 487 T C 0.877 175.290 174.700 -0.478 0.000 1.059 487 T CA -0.288 61.652 62.100 -0.268 0.000 1.039 487 T CB 0.618 69.401 68.868 -0.141 0.000 0.996 487 T HN 0.532 nan 8.240 nan 0.000 0.539 488 E N 0.048 120.080 120.200 -0.281 0.000 2.511 488 E HA 0.375 4.723 4.350 -0.002 0.000 0.196 488 E C 0.473 176.922 176.600 -0.252 0.000 1.066 488 E CA 0.293 56.537 56.400 -0.261 0.000 0.871 488 E CB -0.401 29.215 29.700 -0.139 0.000 0.863 488 E HN 0.786 nan 8.360 nan 0.000 0.520 489 A N -0.099 122.561 122.820 -0.267 0.000 2.430 489 A HA 0.443 4.762 4.320 -0.002 0.000 0.300 489 A C -0.242 177.249 177.584 -0.155 0.000 1.124 489 A CA -0.739 51.200 52.037 -0.164 0.000 0.766 489 A CB 0.713 19.671 19.000 -0.069 0.000 1.328 489 A HN 0.112 nan 8.150 nan 0.000 0.424 490 N N 0.309 119.009 118.700 -0.001 0.000 3.167 490 N HA 0.131 4.869 4.740 -0.002 0.000 0.318 490 N C 0.023 175.654 175.510 0.201 0.000 1.268 490 N CA 0.100 53.242 53.050 0.154 0.000 1.197 490 N CB -0.235 38.329 38.487 0.129 0.000 1.464 490 N HN 0.546 nan 8.380 nan 0.000 0.555 491 R N 0.997 121.611 120.500 0.190 0.000 2.716 491 R HA 0.150 4.488 4.340 -0.002 0.000 0.271 491 R C -1.823 174.550 176.300 0.122 0.000 1.028 491 R CA -0.571 55.668 56.100 0.231 0.000 0.883 491 R CB 0.754 31.154 30.300 0.167 0.000 1.250 491 R HN 0.079 nan 8.270 nan 0.000 0.465 492 Y N 1.001 121.404 120.300 0.170 0.000 2.331 492 Y HA 0.358 4.907 4.550 -0.002 0.000 0.338 492 Y C -0.160 175.772 175.900 0.053 0.000 0.976 492 Y CA -0.685 57.490 58.100 0.124 0.000 1.137 492 Y CB 1.730 40.221 38.460 0.051 0.000 1.172 492 Y HN 0.412 nan 8.280 nan 0.000 0.478 493 D N 1.043 121.524 120.400 0.135 0.000 2.340 493 D HA 0.214 4.852 4.640 -0.002 0.000 0.240 493 D C -1.188 175.120 176.300 0.014 0.000 1.001 493 D CA -0.773 53.293 54.000 0.110 0.000 0.888 493 D CB 1.272 42.139 40.800 0.112 0.000 1.310 493 D HN 0.371 nan 8.370 nan 0.000 0.474 494 Y N 0.727 121.085 120.300 0.095 0.000 2.616 494 Y HA 0.198 4.747 4.550 -0.002 0.000 0.350 494 Y C 0.306 176.236 175.900 0.051 0.000 1.119 494 Y CA -0.367 57.765 58.100 0.054 0.000 1.467 494 Y CB 0.214 38.686 38.460 0.019 0.000 1.287 494 Y HN -0.056 nan 8.280 nan 0.000 0.504 495 V N 3.490 123.479 119.914 0.125 0.000 2.555 495 V HA -0.031 4.088 4.120 -0.002 0.000 0.286 495 V C 0.427 176.626 176.094 0.175 0.000 1.044 495 V CA -0.643 61.735 62.300 0.131 0.000 1.026 495 V CB 0.285 32.162 31.823 0.090 0.000 0.981 495 V HN 0.675 nan 8.190 nan 0.000 0.480 496 H N 3.895 123.005 119.070 0.067 0.000 2.848 496 H HA 0.368 4.922 4.556 -0.002 0.000 0.317 496 H C 0.484 175.836 175.328 0.040 0.000 1.046 496 H CA -0.248 55.834 56.048 0.056 0.000 1.470 496 H CB 1.182 30.974 29.762 0.049 0.000 1.483 496 H HN 0.596 nan 8.280 nan 0.000 0.548 497 V N 1.911 122.004 119.914 0.299 0.000 3.111 497 V HA 0.604 4.723 4.120 -0.002 0.000 0.343 497 V C 0.330 176.470 176.094 0.076 0.000 1.417 497 V CA 0.398 62.761 62.300 0.105 0.000 1.142 497 V CB 0.268 32.141 31.823 0.083 0.000 1.114 497 V HN 0.966 nan 8.190 nan 0.000 0.520 498 G N 0.189 109.065 108.800 0.126 0.000 2.361 498 G HA2 0.504 4.463 3.960 -0.002 0.000 0.305 498 G HA3 0.504 4.463 3.960 -0.002 0.000 0.305 498 G C -0.665 174.371 174.900 0.226 0.000 1.367 498 G CA 0.304 45.461 45.100 0.095 0.000 0.951 498 G HN 1.426 nan 8.290 nan 0.000 0.615 499 T N -3.105 111.558 114.554 0.181 0.000 2.923 499 T HA 0.604 4.953 4.350 -0.002 0.000 0.311 499 T C -1.729 173.139 174.700 0.281 0.000 1.183 499 T CA -0.453 61.803 62.100 0.259 0.000 1.020 499 T CB 2.212 71.204 68.868 0.206 0.000 1.165 499 T HN 1.440 nan 8.240 nan 0.000 0.482 500 W N 2.997 124.423 121.300 0.209 0.000 2.338 500 W HA 0.563 5.221 4.660 -0.003 0.000 0.315 500 W C -0.902 175.792 176.519 0.292 0.000 1.005 500 W CA -0.510 56.967 57.345 0.219 0.000 1.380 500 W CB 0.620 30.209 29.460 0.215 0.000 1.235 500 W HN 0.950 nan 8.180 nan 0.000 0.409 501 H N 4.505 123.444 119.070 -0.218 0.000 2.643 501 H HA 0.231 4.785 4.556 -0.002 0.000 0.259 501 H C -0.221 174.863 175.328 -0.405 0.000 1.298 501 H CA -0.159 55.785 56.048 -0.173 0.000 1.301 501 H CB 0.057 29.766 29.762 -0.088 0.000 1.422 501 H HN 0.571 nan 8.280 nan 0.000 0.521 502 E N 2.994 122.859 120.200 -0.558 0.000 2.393 502 E HA -0.229 4.119 4.350 -0.002 0.000 0.169 502 E C 0.984 177.226 176.600 -0.596 0.000 1.591 502 E CA 0.792 56.930 56.400 -0.436 0.000 0.661 502 E CB -1.163 28.389 29.700 -0.247 0.000 1.097 502 E HN 1.147 nan 8.360 nan 0.000 0.356 503 G N -0.595 107.529 108.800 -1.127 0.000 2.179 503 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.260 503 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.260 503 G C 0.226 174.737 174.900 -0.648 0.000 0.977 503 G CA 0.144 44.891 45.100 -0.588 0.000 0.641 503 G HN 0.576 nan 8.290 nan 0.000 0.533 504 V N 1.002 120.354 119.914 -0.938 0.000 2.531 504 V HA 0.722 4.841 4.120 -0.002 0.000 0.301 504 V C -0.078 175.741 176.094 -0.459 0.000 1.034 504 V CA -0.875 61.115 62.300 -0.517 0.000 0.865 504 V CB 1.737 33.401 31.823 -0.266 0.000 0.995 504 V HN 0.414 nan 8.190 nan 0.000 0.424 505 L N 5.011 126.114 121.223 -0.200 0.000 2.360 505 L HA 0.645 4.984 4.340 -0.002 0.000 0.271 505 L C -0.120 176.742 176.870 -0.013 0.000 1.057 505 L CA 0.243 55.082 54.840 -0.002 0.000 0.803 505 L CB 1.573 43.711 42.059 0.131 0.000 1.207 505 L HN 0.639 nan 8.230 nan 0.000 0.445 506 N N 4.804 123.518 118.700 0.024 0.000 2.609 506 N HA 0.294 5.032 4.740 -0.002 0.000 0.268 506 N C -1.082 174.425 175.510 -0.004 0.000 1.106 506 N CA -0.352 52.691 53.050 -0.011 0.000 0.823 506 N CB 1.550 40.022 38.487 -0.025 0.000 1.263 506 N HN 0.372 nan 8.380 nan 0.000 0.533 507 I N 0.756 121.312 120.570 -0.023 0.000 2.797 507 I HA 0.185 4.354 4.170 -0.002 0.000 0.310 507 I C 0.087 176.150 176.117 -0.091 0.000 0.990 507 I CA -0.346 60.944 61.300 -0.018 0.000 1.228 507 I CB 0.992 38.993 38.000 0.001 0.000 1.406 507 I HN 0.236 nan 8.210 nan 0.000 0.534 508 D N 2.966 123.299 120.400 -0.112 0.000 2.460 508 D HA 0.250 4.889 4.640 -0.002 0.000 0.232 508 D C -0.033 176.105 176.300 -0.270 0.000 1.079 508 D CA -0.052 53.772 54.000 -0.294 0.000 0.864 508 D CB 0.654 41.275 40.800 -0.299 0.000 1.048 508 D HN 0.337 nan 8.370 nan 0.000 0.523 509 D N 1.672 121.913 120.400 -0.265 0.000 2.378 509 D HA -0.115 4.523 4.640 -0.002 0.000 0.227 509 D C 0.574 176.894 176.300 0.033 0.000 1.012 509 D CA 0.670 54.637 54.000 -0.056 0.000 0.905 509 D CB 0.216 41.016 40.800 0.000 0.000 0.895 509 D HN 0.618 nan 8.370 nan 0.000 0.532 510 Y N -1.791 118.542 120.300 0.056 0.000 2.809 510 Y HA 0.408 4.957 4.550 -0.002 0.000 0.251 510 Y C 0.740 176.665 175.900 0.041 0.000 1.136 510 Y CA -0.862 57.266 58.100 0.047 0.000 1.185 510 Y CB -0.413 38.067 38.460 0.032 0.000 1.260 510 Y HN -0.286 nan 8.280 nan 0.000 0.576 511 K N 1.343 121.722 120.400 -0.036 0.000 2.564 511 K HA 0.495 4.813 4.320 -0.002 0.000 0.205 511 K C -0.572 176.055 176.600 0.045 0.000 1.053 511 K CA 0.078 56.390 56.287 0.041 0.000 1.072 511 K CB 0.429 32.882 32.500 -0.078 0.000 0.822 511 K HN 0.400 nan 8.250 nan 0.000 0.497 512 I N 0.000 120.607 120.570 0.062 0.000 2.984 512 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 512 I CA 0.000 61.338 61.300 0.064 0.000 1.566 512 I CB 0.000 38.035 38.000 0.059 0.000 1.214 512 I HN 0.000 nan 8.210 nan 0.000 0.494