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 3cux_1_A DATA FIRST_RESID 7 DATA SEQUENCE RVTLVGEMXX AYNEILTPEA LSFLKELHEN FNERRIELLQ KRMKKQQKID DATA SEQUENCE AGEFPKFLEE TKRIREADWT IAKLPKDLED RRVEITGPVD RKMVINALNS DATA SEQUENCE GAHLFMADFE DSNSPTWENA IEGQINLRDA VKGTISHKNE NGKEYRLNSK DATA SEQUENCE TAVLIVRPRG WHLEEKHMQV DGKNMSGSLV DFGLYFFHNA KALLEKGSGP DATA SEQUENCE YFYLPKMESY LEARLWNDVF VFAQKYIGIP NGTIKATVLL ETIHASFEMD DATA SEQUENCE EILYELKDHS AGLNCGRWDY IFSFLKAFRN HNEFLLPDRA QVTMTAPFMR DATA SEQUENCE AYSLKVIQTC HRRNAPAIGX XXXXXXXXXX XXXXXXXXEK VRADKEREAL DATA SEQUENCE DGHDGTWVAH PGLVPVAMEV FNHIMKTPNQ IFRKREEIHV TEKDLLEVPV DATA SEQUENCE GTITEEGLRM NISVGIQYIA SWLSGRGAAP IYNLMEDAAT AEISRAQVWQ DATA SEQUENCE WIRHEGGKLN DGRNITLELM EELKEEELAK IEREIGKEAX KKGRFQEATT DATA SEQUENCE LFTNLVRNDE FVPFLTLPGY EIL 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.270 176.300 -0.050 0.000 0.893 7 R CA 0.000 56.082 56.100 -0.029 0.000 0.921 7 R CB 0.000 30.287 30.300 -0.022 0.000 0.687 8 V N 2.416 122.305 119.914 -0.042 0.000 2.435 8 V HA 0.794 4.913 4.120 -0.002 0.000 0.290 8 V C 0.217 176.286 176.094 -0.040 0.000 1.030 8 V CA -0.607 61.659 62.300 -0.056 0.000 0.881 8 V CB 2.015 33.814 31.823 -0.039 0.000 0.983 8 V HN 0.940 nan 8.190 nan 0.000 0.445 9 T N 5.941 120.462 114.554 -0.055 0.000 2.807 9 T HA 0.602 4.951 4.350 -0.002 0.000 0.279 9 T C -0.702 173.967 174.700 -0.051 0.000 0.993 9 T CA -0.385 61.687 62.100 -0.047 0.000 0.970 9 T CB 1.394 70.227 68.868 -0.058 0.000 0.950 9 T HN 0.238 nan 8.240 nan 0.000 0.441 10 L N 4.082 125.285 121.223 -0.034 0.000 2.277 10 L HA 0.538 4.877 4.340 -0.002 0.000 0.284 10 L C 1.062 177.875 176.870 -0.096 0.000 1.028 10 L CA 0.251 55.064 54.840 -0.045 0.000 0.835 10 L CB 0.521 42.605 42.059 0.042 0.000 1.215 10 L HN 0.761 nan 8.230 nan 0.000 0.425 11 V N 3.149 122.951 119.914 -0.188 0.000 2.992 11 V HA 0.345 4.465 4.120 -0.002 0.000 0.250 11 V C 1.201 177.156 176.094 -0.230 0.000 1.090 11 V CA 1.111 63.302 62.300 -0.182 0.000 1.101 11 V CB -0.580 31.136 31.823 -0.180 0.000 0.743 11 V HN 0.655 nan 8.190 nan 0.000 0.468 12 G N 0.508 108.998 108.800 -0.517 0.000 2.527 12 G HA2 0.504 4.463 3.960 -0.002 0.000 0.248 12 G HA3 0.504 4.463 3.960 -0.002 0.000 0.248 12 G C 0.106 174.919 174.900 -0.144 0.000 1.231 12 G CA 0.614 45.302 45.100 -0.688 0.000 0.838 12 G HN 0.956 nan 8.290 nan 0.000 0.570 13 E N 0.909 121.135 120.200 0.043 0.000 2.418 13 E HA 0.475 4.824 4.350 -0.002 0.000 0.261 13 E C 0.432 177.209 176.600 0.294 0.000 1.070 13 E CA 0.117 56.604 56.400 0.145 0.000 0.931 13 E CB 0.405 30.164 29.700 0.098 0.000 0.954 13 E HN 0.439 nan 8.360 nan 0.000 0.439 18 Y N 2.144 122.433 120.300 -0.017 0.000 2.352 18 Y HA -0.104 4.446 4.550 -0.001 0.000 0.292 18 Y C 2.088 177.994 175.900 0.010 0.000 1.136 18 Y CA 1.098 59.181 58.100 -0.029 0.000 1.227 18 Y CB -0.490 37.963 38.460 -0.012 0.000 0.991 18 Y HN 0.409 nan 8.280 nan 0.000 0.545 19 N N 0.485 119.303 118.700 0.197 0.000 2.348 19 N HA -0.158 4.582 4.740 -0.002 0.000 0.185 19 N C 1.459 177.037 175.510 0.113 0.000 1.019 19 N CA 1.228 54.361 53.050 0.139 0.000 0.880 19 N CB -0.252 38.297 38.487 0.103 0.000 0.965 19 N HN 0.552 nan 8.380 nan 0.000 0.437 20 E N -0.335 119.917 120.200 0.087 0.000 2.230 20 E HA 0.044 4.393 4.350 -0.002 0.000 0.192 20 E C 1.341 177.943 176.600 0.004 0.000 0.987 20 E CA 0.309 56.743 56.400 0.058 0.000 0.841 20 E CB 0.309 30.026 29.700 0.029 0.000 0.783 20 E HN 0.256 nan 8.360 nan 0.000 0.481 21 I N 0.420 120.956 120.570 -0.057 0.000 2.628 21 I HA -0.041 4.128 4.170 -0.002 0.000 0.255 21 I C 1.218 177.394 176.117 0.099 0.000 1.119 21 I CA 0.750 61.936 61.300 -0.191 0.000 1.448 21 I CB -0.174 37.684 38.000 -0.236 0.000 1.133 21 I HN 0.061 nan 8.210 nan 0.000 0.438 22 L N 2.747 124.033 121.223 0.105 0.000 2.648 22 L HA 0.125 4.464 4.340 -0.002 0.000 0.238 22 L C 0.598 177.558 176.870 0.150 0.000 1.316 22 L CA -0.321 54.608 54.840 0.149 0.000 1.241 22 L CB -0.797 41.369 42.059 0.179 0.000 1.499 22 L HN 0.209 nan 8.230 nan 0.000 0.411 23 T N -3.690 110.965 114.554 0.170 0.000 2.882 23 T HA 0.271 4.620 4.350 -0.002 0.000 0.287 23 T C -1.741 173.018 174.700 0.099 0.000 1.014 23 T CA -1.780 60.410 62.100 0.151 0.000 1.049 23 T CB 1.567 70.563 68.868 0.213 0.000 1.001 23 T HN -0.014 nan 8.240 nan 0.000 0.525 24 P HA -0.105 nan 4.420 nan 0.000 0.216 24 P C 1.141 178.477 177.300 0.061 0.000 1.150 24 P CA 1.113 64.257 63.100 0.073 0.000 0.843 24 P CB 0.055 31.800 31.700 0.075 0.000 0.787 25 E N -0.252 119.996 120.200 0.080 0.000 2.047 25 E HA -0.130 4.219 4.350 -0.002 0.000 0.191 25 E C 2.154 178.624 176.600 -0.216 0.000 0.987 25 E CA 1.502 57.955 56.400 0.089 0.000 0.799 25 E CB -1.216 28.642 29.700 0.264 0.000 0.752 25 E HN 0.147 nan 8.360 nan 0.000 0.449 26 A N 0.993 123.558 122.820 -0.426 0.000 1.877 26 A HA -0.144 4.175 4.320 -0.002 0.000 0.216 26 A C 2.246 179.644 177.584 -0.309 0.000 1.186 26 A CA 1.244 52.769 52.037 -0.854 0.000 0.620 26 A CB -0.799 18.025 19.000 -0.293 0.000 0.822 26 A HN 0.188 nan 8.150 nan 0.000 0.443 27 L N -0.437 120.731 121.223 -0.090 0.000 2.083 27 L HA -0.163 4.176 4.340 -0.002 0.000 0.209 27 L C 2.889 179.762 176.870 0.004 0.000 1.083 27 L CA 1.466 56.300 54.840 -0.010 0.000 0.752 27 L CB -0.436 41.645 42.059 0.036 0.000 0.899 27 L HN 0.522 nan 8.230 nan 0.000 0.433 28 S N -0.176 115.546 115.700 0.036 0.000 2.383 28 S HA -0.209 4.261 4.470 -0.002 0.000 0.227 28 S C 1.982 176.681 174.600 0.164 0.000 1.026 28 S CA 0.947 59.218 58.200 0.117 0.000 0.981 28 S CB -0.322 62.985 63.200 0.178 0.000 0.818 28 S HN 0.420 nan 8.310 nan 0.000 0.472 29 F N 2.280 122.171 119.950 -0.098 0.000 2.146 29 F HA 0.110 4.636 4.527 -0.002 0.000 0.298 29 F C 1.782 177.514 175.800 -0.114 0.000 1.096 29 F CA 1.235 59.076 58.000 -0.265 0.000 1.275 29 F CB -0.615 38.115 39.000 -0.451 0.000 1.008 29 F HN 0.190 nan 8.300 nan 0.000 0.480 30 L N 0.301 121.392 121.223 -0.220 0.000 2.083 30 L HA -0.239 4.100 4.340 -0.002 0.000 0.209 30 L C 2.613 179.413 176.870 -0.117 0.000 1.083 30 L CA 1.797 56.507 54.840 -0.217 0.000 0.752 30 L CB -0.802 41.215 42.059 -0.070 0.000 0.899 30 L HN 0.166 nan 8.230 nan 0.000 0.433 31 K N 0.533 120.900 120.400 -0.055 0.000 2.057 31 K HA -0.199 4.120 4.320 -0.002 0.000 0.207 31 K C 1.906 178.501 176.600 -0.008 0.000 1.049 31 K CA 1.469 57.746 56.287 -0.017 0.000 0.931 31 K CB 0.044 32.548 32.500 0.008 0.000 0.714 31 K HN 0.328 nan 8.250 nan 0.000 0.440 32 E N 0.666 120.862 120.200 -0.006 0.000 2.106 32 E HA -0.153 4.196 4.350 -0.002 0.000 0.192 32 E C 2.156 178.605 176.600 -0.251 0.000 0.984 32 E CA 0.921 57.314 56.400 -0.013 0.000 0.806 32 E CB -0.044 29.826 29.700 0.283 0.000 0.750 32 E HN 0.301 nan 8.360 nan 0.000 0.458 33 L N 0.199 121.264 121.223 -0.264 0.000 1.990 33 L HA -0.284 4.055 4.340 -0.002 0.000 0.213 33 L C 2.636 179.430 176.870 -0.128 0.000 1.072 33 L CA 1.858 56.574 54.840 -0.206 0.000 0.755 33 L CB -0.713 41.216 42.059 -0.217 0.000 0.889 33 L HN 0.250 nan 8.230 nan 0.000 0.432 34 H N 0.217 119.187 119.070 -0.166 0.000 2.289 34 H HA -0.214 4.341 4.556 -0.002 0.000 0.296 34 H C 2.193 177.401 175.328 -0.199 0.000 1.091 34 H CA 2.241 58.206 56.048 -0.139 0.000 1.274 34 H CB 0.094 29.795 29.762 -0.101 0.000 1.364 34 H HN 0.325 nan 8.280 nan 0.000 0.490 35 E N -0.503 119.643 120.200 -0.089 0.000 2.150 35 E HA -0.137 4.212 4.350 -0.002 0.000 0.193 35 E C 1.878 178.257 176.600 -0.369 0.000 0.985 35 E CA 0.822 57.131 56.400 -0.152 0.000 0.814 35 E CB 0.079 29.721 29.700 -0.098 0.000 0.752 35 E HN 0.568 nan 8.360 nan 0.000 0.466 36 N N -0.607 117.730 118.700 -0.605 0.000 2.333 36 N HA -0.016 4.723 4.740 -0.002 0.000 0.178 36 N C 0.811 175.628 175.510 -1.157 0.000 1.018 36 N CA 0.936 53.346 53.050 -1.066 0.000 0.882 36 N CB 0.282 37.686 38.487 -1.805 0.000 0.984 36 N HN 0.134 nan 8.380 nan 0.000 0.434 37 F N -0.712 118.994 119.950 -0.406 0.000 2.831 37 F HA 0.262 4.788 4.527 -0.001 0.000 0.334 37 F C 1.700 177.218 175.800 -0.470 0.000 1.071 37 F CA -0.555 57.187 58.000 -0.431 0.000 1.172 37 F CB -0.378 38.356 39.000 -0.444 0.000 1.054 37 F HN -0.165 nan 8.300 nan 0.000 0.572 38 N N 0.905 119.376 118.700 -0.381 0.000 2.188 38 N HA -0.154 4.585 4.740 -0.002 0.000 0.184 38 N C 1.769 177.061 175.510 -0.363 0.000 1.018 38 N CA 1.559 54.343 53.050 -0.444 0.000 0.858 38 N CB 0.053 38.045 38.487 -0.825 0.000 0.989 38 N HN 0.058 nan 8.380 nan 0.000 0.426 39 E N -0.013 119.986 120.200 -0.335 0.000 2.106 39 E HA -0.147 4.202 4.350 -0.002 0.000 0.192 39 E C 1.880 178.327 176.600 -0.256 0.000 0.984 39 E CA 0.523 56.771 56.400 -0.254 0.000 0.806 39 E CB -0.114 29.457 29.700 -0.215 0.000 0.750 39 E HN 0.251 nan 8.360 nan 0.000 0.458 40 R N 1.660 121.989 120.500 -0.286 0.000 2.075 40 R HA -0.058 4.281 4.340 -0.002 0.000 0.232 40 R C 2.209 178.261 176.300 -0.413 0.000 1.126 40 R CA 1.532 57.451 56.100 -0.302 0.000 0.963 40 R CB -0.494 29.643 30.300 -0.272 0.000 0.858 40 R HN 0.049 nan 8.270 nan 0.000 0.435 41 R N 0.054 120.239 120.500 -0.524 0.000 2.083 41 R HA -0.118 4.221 4.340 -0.002 0.000 0.237 41 R C 2.168 178.231 176.300 -0.395 0.000 1.137 41 R CA 2.121 57.819 56.100 -0.669 0.000 0.951 41 R CB -0.442 29.480 30.300 -0.630 0.000 0.851 41 R HN 0.317 nan 8.270 nan 0.000 0.434 42 I N 0.659 121.065 120.570 -0.274 0.000 2.226 42 I HA -0.246 3.923 4.170 -0.002 0.000 0.245 42 I C 2.603 178.618 176.117 -0.169 0.000 1.100 42 I CA 1.509 62.704 61.300 -0.175 0.000 1.374 42 I CB -0.392 37.525 38.000 -0.137 0.000 1.057 42 I HN 0.414 nan 8.210 nan 0.000 0.413 43 E N 1.480 121.563 120.200 -0.195 0.000 2.058 43 E HA -0.237 4.112 4.350 -0.002 0.000 0.194 43 E C 2.344 178.834 176.600 -0.184 0.000 0.997 43 E CA 1.355 57.651 56.400 -0.173 0.000 0.801 43 E CB -0.071 29.523 29.700 -0.177 0.000 0.746 43 E HN 0.450 nan 8.360 nan 0.000 0.450 44 L N 0.621 121.697 121.223 -0.245 0.000 2.083 44 L HA -0.183 4.156 4.340 -0.002 0.000 0.209 44 L C 2.583 179.347 176.870 -0.177 0.000 1.083 44 L CA 0.710 55.404 54.840 -0.243 0.000 0.752 44 L CB -0.335 41.513 42.059 -0.351 0.000 0.899 44 L HN 0.271 nan 8.230 nan 0.000 0.433 45 L N -0.837 120.296 121.223 -0.150 0.000 2.131 45 L HA -0.195 4.144 4.340 -0.002 0.000 0.210 45 L C 2.775 179.600 176.870 -0.075 0.000 1.092 45 L CA 0.894 55.691 54.840 -0.072 0.000 0.759 45 L CB -0.470 41.571 42.059 -0.031 0.000 0.903 45 L HN 0.376 nan 8.230 nan 0.000 0.435 46 Q N 0.308 120.052 119.800 -0.093 0.000 2.123 46 Q HA -0.152 4.187 4.340 -0.002 0.000 0.199 46 Q C 2.147 178.087 176.000 -0.098 0.000 0.966 46 Q CA 1.189 56.941 55.803 -0.086 0.000 0.845 46 Q CB -0.055 28.631 28.738 -0.086 0.000 0.907 46 Q HN 0.513 nan 8.270 nan 0.000 0.439 47 K N 0.406 120.736 120.400 -0.117 0.000 2.147 47 K HA -0.097 4.222 4.320 -0.002 0.000 0.205 47 K C 2.142 178.661 176.600 -0.135 0.000 1.049 47 K CA 0.794 57.006 56.287 -0.124 0.000 0.936 47 K CB -0.079 32.337 32.500 -0.141 0.000 0.722 47 K HN 0.103 nan 8.250 nan 0.000 0.446 48 R N 0.437 120.853 120.500 -0.141 0.000 2.096 48 R HA -0.049 4.290 4.340 -0.002 0.000 0.235 48 R C 2.297 178.503 176.300 -0.156 0.000 1.127 48 R CA 1.470 57.467 56.100 -0.172 0.000 0.968 48 R CB -0.197 30.019 30.300 -0.141 0.000 0.861 48 R HN 0.206 nan 8.270 nan 0.000 0.440 49 M N 0.022 119.551 119.600 -0.117 0.000 2.175 49 M HA -0.136 4.343 4.480 -0.002 0.000 0.264 49 M C 2.027 178.262 176.300 -0.108 0.000 1.063 49 M CA 1.627 56.863 55.300 -0.106 0.000 1.119 49 M CB -0.051 32.501 32.600 -0.080 0.000 1.377 49 M HN -0.033 nan 8.290 nan 0.000 0.415 50 K N 0.252 120.591 120.400 -0.102 0.000 2.057 50 K HA -0.141 4.178 4.320 -0.002 0.000 0.206 50 K C 2.025 178.564 176.600 -0.101 0.000 1.050 50 K CA 1.193 57.425 56.287 -0.093 0.000 0.935 50 K CB -0.065 32.384 32.500 -0.084 0.000 0.715 50 K HN 0.155 nan 8.250 nan 0.000 0.439 51 K N 0.627 120.956 120.400 -0.119 0.000 2.097 51 K HA -0.224 4.095 4.320 -0.002 0.000 0.205 51 K C 2.226 178.752 176.600 -0.124 0.000 1.050 51 K CA 1.395 57.611 56.287 -0.119 0.000 0.938 51 K CB 0.098 32.508 32.500 -0.150 0.000 0.718 51 K HN -0.032 nan 8.250 nan 0.000 0.442 52 Q N 1.161 120.872 119.800 -0.148 0.000 2.135 52 Q HA -0.189 4.151 4.340 -0.002 0.000 0.204 52 Q C 1.752 177.656 176.000 -0.160 0.000 0.981 52 Q CA 1.737 57.438 55.803 -0.171 0.000 0.856 52 Q CB 0.014 28.634 28.738 -0.196 0.000 0.902 52 Q HN 0.379 nan 8.270 nan 0.000 0.425 53 Q N -0.407 119.316 119.800 -0.128 0.000 2.124 53 Q HA -0.148 4.192 4.340 -0.002 0.000 0.202 53 Q C 2.010 177.948 176.000 -0.104 0.000 0.977 53 Q CA 1.392 57.130 55.803 -0.109 0.000 0.850 53 Q CB -0.058 28.628 28.738 -0.086 0.000 0.901 53 Q HN 0.324 nan 8.270 nan 0.000 0.429 54 K N 0.461 120.801 120.400 -0.100 0.000 2.057 54 K HA -0.075 4.244 4.320 -0.002 0.000 0.206 54 K C 2.071 178.599 176.600 -0.120 0.000 1.050 54 K CA 0.939 57.170 56.287 -0.092 0.000 0.935 54 K CB -0.039 32.415 32.500 -0.077 0.000 0.715 54 K HN 0.204 nan 8.250 nan 0.000 0.439 55 I N 1.527 122.009 120.570 -0.146 0.000 2.179 55 I HA -0.277 3.892 4.170 -0.002 0.000 0.242 55 I C 1.682 177.691 176.117 -0.179 0.000 1.088 55 I CA 1.182 62.362 61.300 -0.199 0.000 1.357 55 I CB -0.349 37.532 38.000 -0.199 0.000 1.051 55 I HN 0.118 nan 8.210 nan 0.000 0.409 56 D N 1.304 121.584 120.400 -0.200 0.000 2.149 56 D HA -0.152 4.487 4.640 -0.002 0.000 0.198 56 D C 1.915 178.183 176.300 -0.054 0.000 0.990 56 D CA 1.487 55.374 54.000 -0.189 0.000 0.839 56 D CB -0.104 40.590 40.800 -0.176 0.000 0.948 56 D HN 0.351 nan 8.370 nan 0.000 0.460 57 A N -0.661 122.117 122.820 -0.069 0.000 2.276 57 A HA 0.441 4.760 4.320 -0.002 0.000 0.212 57 A C 1.666 179.214 177.584 -0.061 0.000 1.230 57 A CA 0.943 52.950 52.037 -0.050 0.000 0.844 57 A CB -0.330 18.636 19.000 -0.056 0.000 0.860 57 A HN 0.250 nan 8.150 nan 0.000 0.486 58 G N -0.620 108.122 108.800 -0.097 0.000 2.175 58 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.244 58 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.244 58 G C 0.048 174.828 174.900 -0.200 0.000 0.982 58 G CA 0.343 45.325 45.100 -0.197 0.000 0.641 58 G HN 0.730 nan 8.290 nan 0.000 0.527 59 E N 0.615 120.708 120.200 -0.179 0.000 1.963 59 E HA 0.593 4.942 4.350 -0.002 0.000 0.274 59 E C 0.212 176.715 176.600 -0.163 0.000 1.061 59 E CA -0.801 55.533 56.400 -0.109 0.000 0.847 59 E CB -0.186 29.471 29.700 -0.071 0.000 1.083 59 E HN 0.195 nan 8.360 nan 0.000 0.402 60 F N 4.350 124.219 119.950 -0.135 0.000 2.406 60 F HA 0.285 4.812 4.527 -0.001 0.000 0.327 60 F C -1.384 174.256 175.800 -0.266 0.000 1.153 60 F CA -1.930 55.958 58.000 -0.187 0.000 1.218 60 F CB 0.228 39.063 39.000 -0.275 0.000 1.215 60 F HN 0.451 nan 8.300 nan 0.000 0.570 61 P HA 0.073 nan 4.420 nan 0.000 0.264 61 P C -1.053 175.729 177.300 -0.864 0.000 1.179 61 P CA -0.065 62.692 63.100 -0.572 0.000 0.763 61 P CB 0.465 31.579 31.700 -0.978 0.000 0.806 62 K N 0.734 120.862 120.400 -0.453 0.000 2.509 62 K HA 0.542 4.861 4.320 -0.002 0.000 0.266 62 K C -0.806 175.925 176.600 0.218 0.000 0.987 62 K CA -0.924 55.253 56.287 -0.183 0.000 0.868 62 K CB 0.372 32.828 32.500 -0.073 0.000 1.421 62 K HN 0.062 nan 8.250 nan 0.000 0.444 63 F N 1.414 121.564 119.950 0.334 0.000 2.494 63 F HA 0.322 4.848 4.527 -0.002 0.000 0.369 63 F C 0.573 176.472 175.800 0.166 0.000 1.098 63 F CA -1.799 56.359 58.000 0.262 0.000 1.154 63 F CB -0.488 38.637 39.000 0.209 0.000 1.103 63 F HN 0.288 nan 8.300 nan 0.000 0.549 64 L N 3.490 124.913 121.223 0.334 0.000 2.513 64 L HA -0.006 4.333 4.340 -0.002 0.000 0.272 64 L C 1.635 178.597 176.870 0.153 0.000 1.187 64 L CA 0.300 55.264 54.840 0.207 0.000 0.895 64 L CB -0.089 42.088 42.059 0.196 0.000 1.147 64 L HN 0.567 nan 8.230 nan 0.000 0.483 65 E N 2.293 122.566 120.200 0.121 0.000 2.077 65 E HA -0.228 4.121 4.350 -0.002 0.000 0.193 65 E C 1.719 178.355 176.600 0.061 0.000 0.989 65 E CA 1.677 58.129 56.400 0.087 0.000 0.800 65 E CB 0.150 29.894 29.700 0.073 0.000 0.746 65 E HN 0.724 nan 8.360 nan 0.000 0.452 66 E N -0.768 119.471 120.200 0.064 0.000 2.267 66 E HA -0.164 4.185 4.350 -0.002 0.000 0.197 66 E C 1.079 177.682 176.600 0.005 0.000 0.998 66 E CA 1.596 58.023 56.400 0.045 0.000 0.830 66 E CB -0.411 29.331 29.700 0.070 0.000 0.751 66 E HN 0.282 nan 8.360 nan 0.000 0.491 67 T N -2.273 112.272 114.554 -0.016 0.000 3.215 67 T HA 0.274 4.623 4.350 -0.002 0.000 0.271 67 T C 1.171 175.825 174.700 -0.077 0.000 1.012 67 T CA -0.536 61.500 62.100 -0.107 0.000 0.899 67 T CB 0.553 69.290 68.868 -0.219 0.000 1.089 67 T HN 0.029 nan 8.240 nan 0.000 0.552 68 K N 1.487 121.876 120.400 -0.018 0.000 2.103 68 K HA -0.122 4.197 4.320 -0.002 0.000 0.207 68 K C 2.203 178.794 176.600 -0.015 0.000 1.048 68 K CA 0.925 57.213 56.287 0.001 0.000 0.930 68 K CB 0.004 32.518 32.500 0.024 0.000 0.716 68 K HN 0.185 nan 8.250 nan 0.000 0.444 69 R N 0.470 120.951 120.500 -0.032 0.000 2.105 69 R HA -0.114 4.225 4.340 -0.002 0.000 0.239 69 R C 2.291 178.574 176.300 -0.027 0.000 1.135 69 R CA 1.092 57.177 56.100 -0.024 0.000 0.967 69 R CB -0.644 29.636 30.300 -0.033 0.000 0.861 69 R HN 0.346 nan 8.270 nan 0.000 0.442 70 I N 0.655 121.151 120.570 -0.124 0.000 2.179 70 I HA -0.258 3.911 4.170 -0.002 0.000 0.242 70 I C 2.585 178.810 176.117 0.179 0.000 1.088 70 I CA 1.295 62.503 61.300 -0.153 0.000 1.357 70 I CB -0.252 37.430 38.000 -0.530 0.000 1.051 70 I HN 0.110 nan 8.210 nan 0.000 0.409 71 R N 0.753 121.290 120.500 0.061 0.000 2.096 71 R HA -0.180 4.159 4.340 -0.002 0.000 0.235 71 R C 2.044 178.358 176.300 0.024 0.000 1.127 71 R CA 1.509 57.636 56.100 0.045 0.000 0.968 71 R CB -0.371 29.919 30.300 -0.016 0.000 0.861 71 R HN 0.533 nan 8.270 nan 0.000 0.440 72 E N 0.729 120.949 120.200 0.033 0.000 2.158 72 E HA 0.038 4.387 4.350 -0.002 0.000 0.191 72 E C 0.644 177.269 176.600 0.040 0.000 0.982 72 E CA 0.237 56.649 56.400 0.021 0.000 0.823 72 E CB 0.049 29.762 29.700 0.022 0.000 0.766 72 E HN 0.241 nan 8.360 nan 0.000 0.468 73 A N 1.851 124.740 122.820 0.114 0.000 2.448 73 A HA -0.021 4.298 4.320 -0.002 0.000 0.239 73 A C 0.138 177.785 177.584 0.104 0.000 1.080 73 A CA 0.081 52.230 52.037 0.186 0.000 0.779 73 A CB 0.237 19.447 19.000 0.350 0.000 1.026 73 A HN 0.024 nan 8.150 nan 0.000 0.499 74 D N 1.162 121.626 120.400 0.107 0.000 2.738 74 D HA 0.117 4.756 4.640 -0.002 0.000 0.246 74 D C 0.181 176.481 176.300 0.000 0.000 1.270 74 D CA -0.032 53.949 54.000 -0.032 0.000 0.833 74 D CB -0.009 40.791 40.800 -0.001 0.000 1.040 74 D HN 0.665 nan 8.370 nan 0.000 0.487 75 W N 1.554 122.889 121.300 0.059 0.000 2.030 75 W HA 0.492 5.151 4.660 -0.001 0.000 0.371 75 W C 0.187 176.740 176.519 0.057 0.000 1.456 75 W CA -0.447 56.938 57.345 0.066 0.000 1.570 75 W CB -0.476 29.050 29.460 0.110 0.000 1.249 75 W HN -0.141 nan 8.180 nan 0.000 0.677 76 T N -1.691 113.060 114.554 0.328 0.000 2.841 76 T HA 0.545 4.894 4.350 -0.002 0.000 0.296 76 T C -0.019 174.906 174.700 0.375 0.000 1.166 76 T CA -1.065 61.129 62.100 0.156 0.000 1.007 76 T CB 1.667 70.566 68.868 0.051 0.000 1.253 76 T HN 0.622 nan 8.240 nan 0.000 0.511 77 I N 0.415 121.145 120.570 0.266 0.000 3.060 77 I HA 0.611 4.780 4.170 -0.002 0.000 0.285 77 I C 0.852 177.044 176.117 0.125 0.000 1.190 77 I CA -1.049 60.385 61.300 0.223 0.000 1.363 77 I CB -0.087 38.010 38.000 0.162 0.000 1.396 77 I HN 0.949 nan 8.210 nan 0.000 0.607 78 A N 4.060 126.925 122.820 0.074 0.000 2.429 78 A HA 0.222 4.541 4.320 -0.002 0.000 0.242 78 A C 0.257 177.862 177.584 0.034 0.000 1.088 78 A CA -0.360 51.699 52.037 0.037 0.000 0.784 78 A CB 0.006 19.001 19.000 -0.008 0.000 1.038 78 A HN 0.807 nan 8.150 nan 0.000 0.501 79 K N 0.354 120.770 120.400 0.027 0.000 2.350 79 K HA 0.328 4.647 4.320 -0.002 0.000 0.279 79 K C -0.703 175.906 176.600 0.016 0.000 1.027 79 K CA 0.107 56.408 56.287 0.023 0.000 0.969 79 K CB 0.398 32.911 32.500 0.022 0.000 0.954 79 K HN 0.510 nan 8.250 nan 0.000 0.474 80 L N 4.724 125.950 121.223 0.005 0.000 2.417 80 L HA 0.238 4.577 4.340 -0.002 0.000 0.268 80 L C -1.672 175.193 176.870 -0.007 0.000 1.158 80 L CA -1.990 52.840 54.840 -0.017 0.000 0.819 80 L CB 0.011 42.048 42.059 -0.035 0.000 1.112 80 L HN 0.492 nan 8.230 nan 0.000 0.458 81 P HA 0.040 nan 4.420 nan 0.000 0.272 81 P C 0.064 177.368 177.300 0.007 0.000 1.223 81 P CA -0.462 62.653 63.100 0.025 0.000 0.784 81 P CB 0.825 32.581 31.700 0.092 0.000 0.923 82 K N 1.535 121.950 120.400 0.025 0.000 2.113 82 K HA -0.206 4.113 4.320 -0.002 0.000 0.208 82 K C 1.225 177.835 176.600 0.016 0.000 1.047 82 K CA 2.000 58.299 56.287 0.019 0.000 0.928 82 K CB -0.280 32.233 32.500 0.022 0.000 0.716 82 K HN 0.531 nan 8.250 nan 0.000 0.446 83 D N 0.070 120.491 120.400 0.034 0.000 2.378 83 D HA -0.137 4.502 4.640 -0.002 0.000 0.227 83 D C 1.102 177.400 176.300 -0.003 0.000 1.012 83 D CA 0.646 54.669 54.000 0.038 0.000 0.905 83 D CB -0.015 40.842 40.800 0.096 0.000 0.895 83 D HN 0.346 nan 8.370 nan 0.000 0.532 84 L N -0.371 120.816 121.223 -0.060 0.000 2.808 84 L HA 0.259 4.598 4.340 -0.002 0.000 0.246 84 L C 2.022 178.867 176.870 -0.041 0.000 1.153 84 L CA -0.170 54.604 54.840 -0.109 0.000 0.956 84 L CB 0.268 42.170 42.059 -0.262 0.000 1.270 84 L HN -0.042 nan 8.230 nan 0.000 0.528 85 E N 0.618 120.815 120.200 -0.005 0.000 2.112 85 E HA -0.133 4.216 4.350 -0.002 0.000 0.190 85 E C 0.290 176.918 176.600 0.048 0.000 0.979 85 E CA 0.622 57.032 56.400 0.017 0.000 0.814 85 E CB 0.569 30.283 29.700 0.023 0.000 0.762 85 E HN 0.179 nan 8.360 nan 0.000 0.460 86 D N -0.304 120.146 120.400 0.083 0.000 2.462 86 D HA 0.171 4.810 4.640 -0.002 0.000 0.245 86 D C -0.743 175.690 176.300 0.222 0.000 1.122 86 D CA -0.398 53.693 54.000 0.152 0.000 0.864 86 D CB 0.675 41.602 40.800 0.213 0.000 1.098 86 D HN -0.007 nan 8.370 nan 0.000 0.541 87 R N 3.021 123.582 120.500 0.102 0.000 2.727 87 R HA 0.168 4.507 4.340 -0.002 0.000 0.410 87 R C 1.746 177.982 176.300 -0.107 0.000 1.101 87 R CA -0.257 55.880 56.100 0.061 0.000 1.045 87 R CB 0.731 31.061 30.300 0.050 0.000 1.380 87 R HN 0.339 nan 8.270 nan 0.000 0.587 88 R N -0.666 119.679 120.500 -0.258 0.000 2.091 88 R HA -0.018 4.321 4.340 -0.002 0.000 0.238 88 R C 0.420 176.373 176.300 -0.577 0.000 1.136 88 R CA 1.036 56.869 56.100 -0.446 0.000 0.959 88 R CB -0.165 29.930 30.300 -0.341 0.000 0.856 88 R HN -0.074 nan 8.270 nan 0.000 0.437 89 V N 1.515 121.176 119.914 -0.420 0.000 2.588 89 V HA 0.282 4.401 4.120 -0.002 0.000 0.304 89 V C -0.791 175.254 176.094 -0.082 0.000 1.042 89 V CA -0.858 61.291 62.300 -0.252 0.000 0.877 89 V CB 2.026 33.729 31.823 -0.200 0.000 0.996 89 V HN 0.227 nan 8.190 nan 0.000 0.425 90 E N 3.802 123.999 120.200 -0.005 0.000 2.199 90 E HA 0.607 4.956 4.350 -0.002 0.000 0.269 90 E C -1.012 175.480 176.600 -0.180 0.000 0.899 90 E CA -0.649 55.752 56.400 0.002 0.000 0.772 90 E CB 3.322 33.129 29.700 0.179 0.000 1.155 90 E HN 0.611 nan 8.360 nan 0.000 0.408 91 I N 1.543 122.009 120.570 -0.173 0.000 2.562 91 I HA 0.389 4.559 4.170 -0.002 0.000 0.301 91 I C -0.529 175.426 176.117 -0.271 0.000 1.003 91 I CA -0.309 60.848 61.300 -0.238 0.000 1.127 91 I CB 1.636 39.531 38.000 -0.175 0.000 1.304 91 I HN 0.597 nan 8.210 nan 0.000 0.446 92 T N 2.502 116.828 114.554 -0.379 0.000 2.885 92 T HA 0.919 5.268 4.350 -0.002 0.000 0.285 92 T C -0.358 174.292 174.700 -0.085 0.000 1.019 92 T CA -0.655 61.222 62.100 -0.371 0.000 1.010 92 T CB 1.787 70.204 68.868 -0.751 0.000 1.022 92 T HN 0.993 nan 8.240 nan 0.000 0.466 93 G N 1.700 110.554 108.800 0.091 0.000 2.547 93 G HA2 0.633 4.592 3.960 -0.002 0.000 0.291 93 G HA3 0.633 4.592 3.960 -0.002 0.000 0.291 93 G C -3.426 171.517 174.900 0.072 0.000 1.471 93 G CA -1.184 43.965 45.100 0.081 0.000 0.798 93 G HN 0.673 nan 8.290 nan 0.000 0.504 94 P HA 0.249 nan 4.420 nan 0.000 0.275 94 P C 0.983 178.225 177.300 -0.097 0.000 1.266 94 P CA -0.114 62.942 63.100 -0.073 0.000 0.793 94 P CB 1.269 32.936 31.700 -0.055 0.000 1.074 95 V N -3.612 116.155 119.914 -0.245 0.000 3.337 95 V HA 0.146 4.266 4.120 -0.002 0.000 0.343 95 V C 0.482 176.478 176.094 -0.164 0.000 1.302 95 V CA -0.303 61.818 62.300 -0.297 0.000 1.268 95 V CB -1.815 29.582 31.823 -0.711 0.000 1.185 95 V HN 0.366 nan 8.190 nan 0.000 0.447 96 D N 0.757 121.090 120.400 -0.111 0.000 2.414 96 D HA 0.067 4.706 4.640 -0.002 0.000 0.242 96 D C 1.456 177.717 176.300 -0.065 0.000 1.129 96 D CA 0.073 54.025 54.000 -0.080 0.000 0.885 96 D CB 1.087 41.836 40.800 -0.085 0.000 1.198 96 D HN 0.259 nan 8.370 nan 0.000 0.437 97 R N 3.199 123.681 120.500 -0.029 0.000 2.080 97 R HA -0.194 4.145 4.340 -0.002 0.000 0.236 97 R C 1.857 178.127 176.300 -0.050 0.000 1.137 97 R CA 1.685 57.789 56.100 0.007 0.000 0.943 97 R CB -0.061 30.292 30.300 0.089 0.000 0.846 97 R HN 0.529 nan 8.270 nan 0.000 0.431 98 K N -0.084 120.212 120.400 -0.174 0.000 2.057 98 K HA -0.113 4.206 4.320 -0.002 0.000 0.206 98 K C 2.134 178.547 176.600 -0.311 0.000 1.050 98 K CA 1.737 57.788 56.287 -0.395 0.000 0.935 98 K CB 0.002 32.021 32.500 -0.803 0.000 0.715 98 K HN 0.243 nan 8.250 nan 0.000 0.439 99 M N 0.134 119.586 119.600 -0.248 0.000 2.175 99 M HA -0.139 4.340 4.480 -0.002 0.000 0.264 99 M C 2.088 178.212 176.300 -0.293 0.000 1.063 99 M CA 0.935 56.083 55.300 -0.254 0.000 1.119 99 M CB -0.027 32.464 32.600 -0.181 0.000 1.377 99 M HN -0.031 nan 8.290 nan 0.000 0.415 100 V N 1.173 120.985 119.914 -0.170 0.000 2.282 100 V HA -0.296 3.824 4.120 -0.002 0.000 0.249 100 V C 2.207 178.155 176.094 -0.243 0.000 1.057 100 V CA 1.997 64.228 62.300 -0.115 0.000 1.032 100 V CB -0.552 31.315 31.823 0.073 0.000 0.645 100 V HN 0.419 nan 8.190 nan 0.000 0.447 101 I N 0.175 120.645 120.570 -0.167 0.000 2.179 101 I HA -0.268 3.901 4.170 -0.002 0.000 0.242 101 I C 2.210 178.190 176.117 -0.228 0.000 1.088 101 I CA 2.138 63.354 61.300 -0.141 0.000 1.357 101 I CB -0.655 37.312 38.000 -0.054 0.000 1.051 101 I HN 0.391 nan 8.210 nan 0.000 0.409 102 N N 0.631 119.151 118.700 -0.300 0.000 2.166 102 N HA -0.151 4.588 4.740 -0.002 0.000 0.186 102 N C 1.949 177.224 175.510 -0.392 0.000 1.019 102 N CA 1.103 53.959 53.050 -0.323 0.000 0.856 102 N CB -0.162 38.109 38.487 -0.359 0.000 0.993 102 N HN 0.353 nan 8.380 nan 0.000 0.426 103 A N 1.114 123.585 122.820 -0.582 0.000 1.897 103 A HA -0.031 4.288 4.320 -0.002 0.000 0.215 103 A C 2.120 179.325 177.584 -0.633 0.000 1.181 103 A CA 0.853 52.410 52.037 -0.800 0.000 0.620 103 A CB -0.609 17.427 19.000 -1.607 0.000 0.821 103 A HN 0.158 nan 8.150 nan 0.000 0.443 104 L N -0.170 120.730 121.223 -0.539 0.000 2.131 104 L HA -0.149 4.190 4.340 -0.002 0.000 0.210 104 L C 1.488 178.281 176.870 -0.127 0.000 1.092 104 L CA 0.949 55.668 54.840 -0.202 0.000 0.759 104 L CB -0.421 41.598 42.059 -0.067 0.000 0.903 104 L HN 0.340 nan 8.230 nan 0.000 0.435 105 N N -0.803 117.808 118.700 -0.148 0.000 2.398 105 N HA -0.064 4.675 4.740 -0.002 0.000 0.188 105 N C 1.882 177.335 175.510 -0.095 0.000 1.122 105 N CA 0.877 53.871 53.050 -0.094 0.000 0.866 105 N CB 0.070 38.512 38.487 -0.076 0.000 0.970 105 N HN 0.296 nan 8.380 nan 0.000 0.462 106 S N -0.746 114.872 115.700 -0.136 0.000 2.474 106 S HA 0.047 4.516 4.470 -0.002 0.000 0.235 106 S C 1.625 176.187 174.600 -0.064 0.000 0.997 106 S CA 0.998 59.123 58.200 -0.126 0.000 0.949 106 S CB -0.157 62.935 63.200 -0.181 0.000 0.766 106 S HN 0.375 nan 8.310 nan 0.000 0.517 107 G N 0.687 109.468 108.800 -0.031 0.000 2.194 107 G HA2 -0.075 3.884 3.960 -0.002 0.000 0.236 107 G HA3 -0.075 3.884 3.960 -0.002 0.000 0.236 107 G C 0.289 175.230 174.900 0.068 0.000 0.987 107 G CA -0.017 45.094 45.100 0.020 0.000 0.635 107 G HN 1.322 nan 8.290 nan 0.000 0.520 108 A N -0.106 122.731 122.820 0.029 0.000 2.483 108 A HA 0.527 4.846 4.320 -0.002 0.000 0.238 108 A C 1.089 178.785 177.584 0.187 0.000 1.070 108 A CA 1.044 53.119 52.037 0.063 0.000 0.770 108 A CB -0.014 18.984 19.000 -0.004 0.000 1.008 108 A HN 0.551 nan 8.150 nan 0.000 0.497 109 H N 0.359 119.428 119.070 -0.002 0.000 2.389 109 H HA 0.043 4.598 4.556 -0.002 0.000 0.299 109 H C -0.443 174.912 175.328 0.044 0.000 1.081 109 H CA 0.831 56.890 56.048 0.017 0.000 1.345 109 H CB 0.108 29.876 29.762 0.010 0.000 1.393 109 H HN 0.408 nan 8.280 nan 0.000 0.520 110 L N -0.114 121.220 121.223 0.185 0.000 2.388 110 L HA 0.237 4.576 4.340 -0.002 0.000 0.264 110 L C -1.160 175.815 176.870 0.176 0.000 0.998 110 L CA -0.734 54.204 54.840 0.163 0.000 0.817 110 L CB 2.416 44.576 42.059 0.168 0.000 1.338 110 L HN -0.047 nan 8.230 nan 0.000 0.414 111 F N 3.550 123.489 119.950 -0.019 0.000 2.460 111 F HA 0.564 5.090 4.527 -0.002 0.000 0.341 111 F C -0.480 175.266 175.800 -0.090 0.000 1.130 111 F CA -1.397 56.547 58.000 -0.093 0.000 0.962 111 F CB 1.488 40.431 39.000 -0.094 0.000 1.171 111 F HN 0.455 nan 8.300 nan 0.000 0.436 112 M N 6.761 126.192 119.600 -0.281 0.000 2.151 112 M HA 0.573 5.052 4.480 -0.002 0.000 0.349 112 M C -0.770 175.007 176.300 -0.871 0.000 1.284 112 M CA -0.324 54.703 55.300 -0.456 0.000 1.173 112 M CB 0.166 32.527 32.600 -0.399 0.000 1.469 112 M HN 0.795 nan 8.290 nan 0.000 0.439 113 A N 4.161 126.283 122.820 -1.163 0.000 2.362 113 A HA 0.315 4.634 4.320 -0.002 0.000 0.276 113 A C -0.765 176.488 177.584 -0.552 0.000 1.153 113 A CA -0.409 50.951 52.037 -1.128 0.000 0.813 113 A CB 0.261 18.677 19.000 -0.973 0.000 1.081 113 A HN 0.778 nan 8.150 nan 0.000 0.507 114 D N 1.967 122.118 120.400 -0.415 0.000 2.381 114 D HA 0.493 5.132 4.640 -0.002 0.000 0.235 114 D C -0.311 175.815 176.300 -0.289 0.000 1.068 114 D CA -0.355 53.502 54.000 -0.237 0.000 0.832 114 D CB 0.512 41.231 40.800 -0.134 0.000 1.101 114 D HN 0.324 nan 8.370 nan 0.000 0.515 115 F N 1.413 121.343 119.950 -0.033 0.000 2.776 115 F HA 0.186 4.712 4.527 -0.002 0.000 0.300 115 F C 1.791 177.608 175.800 0.028 0.000 1.116 115 F CA -0.014 57.984 58.000 -0.004 0.000 1.375 115 F CB 0.439 39.442 39.000 0.005 0.000 1.109 115 F HN 0.384 nan 8.300 nan 0.000 0.585 116 E N 0.374 120.682 120.200 0.180 0.000 3.497 116 E HA -0.006 4.343 4.350 -0.002 0.000 0.384 116 E C 0.988 177.696 176.600 0.180 0.000 0.451 116 E CA 0.135 56.632 56.400 0.162 0.000 2.217 116 E CB -0.048 29.734 29.700 0.138 0.000 2.185 116 E HN -0.082 nan 8.360 nan 0.000 0.461 117 D N 0.465 120.966 120.400 0.169 0.000 2.158 117 D HA -0.138 4.501 4.640 -0.002 0.000 0.197 117 D C 1.712 178.156 176.300 0.240 0.000 0.995 117 D CA 1.732 55.850 54.000 0.197 0.000 0.846 117 D CB -0.139 40.755 40.800 0.156 0.000 0.941 117 D HN 0.184 nan 8.370 nan 0.000 0.456 118 S N -1.168 114.638 115.700 0.178 0.000 2.577 118 S HA 0.055 4.524 4.470 -0.002 0.000 0.219 118 S C 0.362 175.056 174.600 0.157 0.000 0.962 118 S CA -0.631 57.682 58.200 0.188 0.000 0.921 118 S CB -0.058 63.204 63.200 0.102 0.000 0.789 118 S HN 0.043 nan 8.310 nan 0.000 0.497 119 N N 1.459 120.251 118.700 0.154 0.000 2.392 119 N HA 0.360 5.099 4.740 -0.002 0.000 0.283 119 N C -1.078 174.481 175.510 0.081 0.000 1.003 119 N CA -0.271 52.824 53.050 0.074 0.000 0.892 119 N CB 2.018 40.522 38.487 0.027 0.000 1.193 119 N HN 0.102 nan 8.380 nan 0.000 0.487 120 S N 3.759 119.397 115.700 -0.103 0.000 2.481 120 S HA 0.287 4.756 4.470 -0.002 0.000 0.276 120 S C -2.021 172.421 174.600 -0.264 0.000 1.247 120 S CA -1.214 56.704 58.200 -0.470 0.000 1.053 120 S CB 0.374 63.206 63.200 -0.612 0.000 0.925 120 S HN 0.522 nan 8.310 nan 0.000 0.491 121 P HA 0.125 nan 4.420 nan 0.000 0.226 121 P C 0.292 177.689 177.300 0.162 0.000 1.758 121 P CA -0.303 62.838 63.100 0.068 0.000 0.896 121 P CB -1.105 30.670 31.700 0.125 0.000 1.784 122 T N -4.199 110.364 114.554 0.016 0.000 2.855 122 T HA -0.066 4.283 4.350 -0.002 0.000 0.314 122 T C 1.095 175.875 174.700 0.133 0.000 1.077 122 T CA -0.675 61.469 62.100 0.074 0.000 1.095 122 T CB 0.749 69.609 68.868 -0.013 0.000 0.987 122 T HN 0.307 nan 8.240 nan 0.000 0.546 123 W N 1.613 122.814 121.300 -0.165 0.000 2.335 123 W HA -0.198 4.461 4.660 -0.001 0.000 0.311 123 W C 1.596 178.040 176.519 -0.125 0.000 1.213 123 W CA 1.638 58.804 57.345 -0.299 0.000 1.274 123 W CB -0.143 28.906 29.460 -0.685 0.000 1.148 123 W HN 0.832 nan 8.180 nan 0.000 0.498 124 E N 0.702 120.886 120.200 -0.026 0.000 2.058 124 E HA -0.252 4.097 4.350 -0.002 0.000 0.194 124 E C 1.654 178.155 176.600 -0.165 0.000 0.997 124 E CA 1.855 58.214 56.400 -0.069 0.000 0.801 124 E CB -0.925 28.818 29.700 0.071 0.000 0.746 124 E HN 0.190 nan 8.360 nan 0.000 0.450 125 N N 0.050 118.696 118.700 -0.089 0.000 2.244 125 N HA -0.069 4.670 4.740 -0.002 0.000 0.183 125 N C 1.504 176.982 175.510 -0.053 0.000 1.016 125 N CA 1.305 54.313 53.050 -0.069 0.000 0.866 125 N CB -0.347 38.113 38.487 -0.046 0.000 0.980 125 N HN 0.217 nan 8.380 nan 0.000 0.430 126 A N 0.599 123.368 122.820 -0.085 0.000 1.929 126 A HA -0.018 4.301 4.320 -0.002 0.000 0.216 126 A C 1.945 179.403 177.584 -0.210 0.000 1.176 126 A CA 0.861 52.884 52.037 -0.023 0.000 0.628 126 A CB -0.143 18.838 19.000 -0.031 0.000 0.816 126 A HN 0.092 nan 8.150 nan 0.000 0.444 127 I N -0.336 119.871 120.570 -0.605 0.000 2.628 127 I HA -0.055 4.114 4.170 -0.002 0.000 0.255 127 I C 2.156 177.941 176.117 -0.553 0.000 1.119 127 I CA 0.872 61.702 61.300 -0.784 0.000 1.448 127 I CB -1.715 35.374 38.000 -1.517 0.000 1.133 127 I HN 0.405 nan 8.210 nan 0.000 0.438 128 E N 1.316 121.218 120.200 -0.498 0.000 2.085 128 E HA -0.187 4.162 4.350 -0.002 0.000 0.194 128 E C 2.269 178.812 176.600 -0.095 0.000 0.994 128 E CA 1.305 57.576 56.400 -0.215 0.000 0.801 128 E CB -0.390 29.251 29.700 -0.098 0.000 0.743 128 E HN 0.556 nan 8.360 nan 0.000 0.453 129 G N 1.671 110.445 108.800 -0.044 0.000 2.553 129 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.218 129 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.218 129 G C 1.502 176.491 174.900 0.148 0.000 1.195 129 G CA 0.919 46.033 45.100 0.023 0.000 0.779 129 G HN 0.153 nan 8.290 nan 0.000 0.577 130 Q N 0.212 120.152 119.800 0.233 0.000 2.096 130 Q HA -0.052 4.287 4.340 -0.002 0.000 0.204 130 Q C 2.775 178.795 176.000 0.033 0.000 0.982 130 Q CA 0.995 56.899 55.803 0.168 0.000 0.850 130 Q CB -0.376 28.385 28.738 0.037 0.000 0.901 130 Q HN 0.621 nan 8.270 nan 0.000 0.422 131 I N 1.481 122.022 120.570 -0.050 0.000 2.163 131 I HA -0.310 3.859 4.170 -0.002 0.000 0.243 131 I C 1.873 177.990 176.117 0.001 0.000 1.085 131 I CA 1.083 62.356 61.300 -0.046 0.000 1.347 131 I CB -0.403 37.570 38.000 -0.046 0.000 1.044 131 I HN 0.189 nan 8.210 nan 0.000 0.408 132 N N 0.899 119.606 118.700 0.012 0.000 2.084 132 N HA -0.109 4.630 4.740 -0.002 0.000 0.190 132 N C 1.956 177.496 175.510 0.050 0.000 1.030 132 N CA 1.282 54.346 53.050 0.023 0.000 0.849 132 N CB -0.473 38.016 38.487 0.003 0.000 1.012 132 N HN 0.312 nan 8.380 nan 0.000 0.423 133 L N 0.838 122.109 121.223 0.081 0.000 2.083 133 L HA -0.165 4.174 4.340 -0.002 0.000 0.209 133 L C 2.963 179.912 176.870 0.132 0.000 1.083 133 L CA 1.497 56.423 54.840 0.142 0.000 0.752 133 L CB -0.691 41.519 42.059 0.252 0.000 0.899 133 L HN 0.235 nan 8.230 nan 0.000 0.433 134 R N 0.430 120.983 120.500 0.089 0.000 2.080 134 R HA -0.216 4.123 4.340 -0.002 0.000 0.236 134 R C 1.802 178.111 176.300 0.016 0.000 1.137 134 R CA 2.172 58.289 56.100 0.028 0.000 0.943 134 R CB -1.613 28.673 30.300 -0.025 0.000 0.846 134 R HN 0.376 nan 8.270 nan 0.000 0.431 135 D N 0.257 120.668 120.400 0.019 0.000 2.178 135 D HA -0.039 4.600 4.640 -0.002 0.000 0.201 135 D C 2.149 178.464 176.300 0.025 0.000 0.980 135 D CA 1.627 55.638 54.000 0.017 0.000 0.842 135 D CB -0.406 40.405 40.800 0.019 0.000 0.948 135 D HN 0.572 nan 8.370 nan 0.000 0.472 136 A N 0.538 123.383 122.820 0.042 0.000 1.873 136 A HA -0.107 4.212 4.320 -0.002 0.000 0.215 136 A C 2.504 180.109 177.584 0.036 0.000 1.186 136 A CA 1.003 53.070 52.037 0.050 0.000 0.616 136 A CB -0.713 18.336 19.000 0.081 0.000 0.823 136 A HN 0.139 nan 8.150 nan 0.000 0.442 137 V N 0.158 120.092 119.914 0.032 0.000 2.407 137 V HA -0.217 3.902 4.120 -0.002 0.000 0.248 137 V C 2.465 178.546 176.094 -0.021 0.000 1.055 137 V CA 2.257 64.555 62.300 -0.003 0.000 1.049 137 V CB -0.567 31.233 31.823 -0.038 0.000 0.662 137 V HN 0.366 nan 8.190 nan 0.000 0.455 138 K N -0.012 120.378 120.400 -0.016 0.000 2.228 138 K HA 0.136 4.455 4.320 -0.002 0.000 0.202 138 K C 1.663 178.257 176.600 -0.011 0.000 1.051 138 K CA 0.891 57.166 56.287 -0.019 0.000 0.960 138 K CB -0.605 31.886 32.500 -0.015 0.000 0.743 138 K HN 0.568 nan 8.250 nan 0.000 0.458 139 G N 0.079 108.879 108.800 -0.001 0.000 2.159 139 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.227 139 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.227 139 G C 0.817 175.720 174.900 0.005 0.000 0.986 139 G CA 0.860 45.961 45.100 0.002 0.000 0.651 139 G HN 0.369 nan 8.290 nan 0.000 0.523 140 T N -1.529 113.029 114.554 0.006 0.000 3.060 140 T HA 0.472 4.821 4.350 -0.002 0.000 0.249 140 T C 1.371 176.081 174.700 0.016 0.000 1.079 140 T CA 0.339 62.443 62.100 0.007 0.000 1.013 140 T CB 0.467 69.337 68.868 0.003 0.000 0.975 140 T HN 0.689 nan 8.240 nan 0.000 0.518 141 I N 3.511 124.095 120.570 0.023 0.000 2.775 141 I HA 0.228 4.397 4.170 -0.002 0.000 0.290 141 I C -0.032 176.114 176.117 0.047 0.000 1.203 141 I CA 0.373 61.695 61.300 0.036 0.000 1.433 141 I CB 0.408 38.433 38.000 0.041 0.000 1.354 141 I HN 0.547 nan 8.210 nan 0.000 0.579 142 S N 5.176 120.913 115.700 0.061 0.000 2.550 142 S HA 0.389 4.858 4.470 -0.002 0.000 0.270 142 S C -1.221 173.461 174.600 0.136 0.000 1.145 142 S CA -0.878 57.374 58.200 0.086 0.000 0.852 142 S CB 1.627 64.852 63.200 0.041 0.000 1.119 142 S HN 0.771 nan 8.310 nan 0.000 0.465 143 H N 0.863 119.998 119.070 0.108 0.000 2.646 143 H HA 0.673 5.229 4.556 -0.001 0.000 0.328 143 H C -0.752 174.674 175.328 0.163 0.000 0.998 143 H CA -0.371 55.756 56.048 0.132 0.000 1.225 143 H CB 1.210 31.056 29.762 0.140 0.000 1.457 143 H HN 0.667 nan 8.280 nan 0.000 0.505 144 K N 3.836 124.002 120.400 -0.390 0.000 2.248 144 K HA 0.245 4.564 4.320 -0.002 0.000 0.281 144 K C -0.766 175.640 176.600 -0.324 0.000 1.054 144 K CA -0.465 55.660 56.287 -0.270 0.000 0.903 144 K CB 0.216 32.615 32.500 -0.169 0.000 1.077 144 K HN 0.635 nan 8.250 nan 0.000 0.474 145 N N 2.041 120.691 118.700 -0.084 0.000 2.513 145 N HA 0.016 4.755 4.740 -0.002 0.000 0.274 145 N C 0.544 176.044 175.510 -0.017 0.000 1.189 145 N CA -0.204 52.863 53.050 0.029 0.000 0.975 145 N CB 0.889 39.447 38.487 0.118 0.000 1.157 145 N HN 0.664 nan 8.380 nan 0.000 0.465 146 E N 0.237 120.442 120.200 0.008 0.000 2.204 146 E HA -0.236 4.113 4.350 -0.002 0.000 0.194 146 E C 0.395 176.993 176.600 -0.003 0.000 0.989 146 E CA 0.933 57.331 56.400 -0.003 0.000 0.824 146 E CB -0.330 29.375 29.700 0.008 0.000 0.756 146 E HN 0.588 nan 8.360 nan 0.000 0.477 147 N N 0.856 119.560 118.700 0.007 0.000 2.521 147 N HA -0.018 4.721 4.740 -0.002 0.000 0.188 147 N C 1.308 176.803 175.510 -0.024 0.000 1.146 147 N CA 1.114 54.164 53.050 -0.001 0.000 0.893 147 N CB 0.515 39.010 38.487 0.013 0.000 0.975 147 N HN 0.376 nan 8.380 nan 0.000 0.451 148 G N -0.743 108.033 108.800 -0.039 0.000 2.254 148 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.225 148 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.225 148 G C -0.105 174.733 174.900 -0.102 0.000 1.003 148 G CA -0.073 44.990 45.100 -0.061 0.000 0.622 148 G HN 0.339 nan 8.290 nan 0.000 0.507 149 K N 1.188 121.509 120.400 -0.131 0.000 2.414 149 K HA 0.388 4.707 4.320 -0.002 0.000 0.272 149 K C 0.124 176.528 176.600 -0.327 0.000 0.993 149 K CA 0.307 56.425 56.287 -0.282 0.000 0.964 149 K CB 0.983 33.251 32.500 -0.387 0.000 0.925 149 K HN 0.578 nan 8.250 nan 0.000 0.487 150 E N 2.645 122.595 120.200 -0.416 0.000 2.528 150 E HA 0.123 4.472 4.350 -0.002 0.000 0.277 150 E C -1.271 175.191 176.600 -0.229 0.000 0.980 150 E CA -0.346 55.907 56.400 -0.246 0.000 0.796 150 E CB 0.471 30.098 29.700 -0.123 0.000 1.427 150 E HN 0.339 nan 8.360 nan 0.000 0.394 151 Y N 3.264 123.593 120.300 0.049 0.000 2.425 151 Y HA 0.213 4.762 4.550 -0.002 0.000 0.331 151 Y C 1.119 177.032 175.900 0.022 0.000 1.157 151 Y CA 0.020 58.141 58.100 0.035 0.000 1.372 151 Y CB 0.549 39.035 38.460 0.043 0.000 1.253 151 Y HN 0.384 nan 8.280 nan 0.000 0.536 152 R N 2.334 122.903 120.500 0.116 0.000 2.922 152 R HA 0.696 5.035 4.340 -0.002 0.000 0.256 152 R C -1.572 174.757 176.300 0.049 0.000 1.138 152 R CA -1.094 55.046 56.100 0.068 0.000 0.995 152 R CB 0.978 31.296 30.300 0.030 0.000 1.226 152 R HN 0.590 nan 8.270 nan 0.000 0.481 153 L N 1.863 123.102 121.223 0.027 0.000 2.326 153 L HA 0.265 4.604 4.340 -0.002 0.000 0.278 153 L C 0.153 177.027 176.870 0.006 0.000 1.092 153 L CA -0.967 53.880 54.840 0.012 0.000 0.810 153 L CB 0.708 42.773 42.059 0.011 0.000 1.153 153 L HN 0.487 nan 8.230 nan 0.000 0.439 154 N N 0.742 119.442 118.700 -0.000 0.000 2.344 154 N HA -0.074 4.665 4.740 -0.002 0.000 0.236 154 N C 1.108 176.616 175.510 -0.003 0.000 1.279 154 N CA 0.318 53.366 53.050 -0.003 0.000 0.882 154 N CB 0.835 39.317 38.487 -0.007 0.000 1.110 154 N HN 0.697 nan 8.380 nan 0.000 0.436 155 S N -0.674 115.024 115.700 -0.004 0.000 2.453 155 S HA -0.040 4.429 4.470 -0.002 0.000 0.231 155 S C 0.540 175.136 174.600 -0.007 0.000 1.005 155 S CA 0.563 58.760 58.200 -0.005 0.000 0.949 155 S CB 0.277 63.473 63.200 -0.007 0.000 0.774 155 S HN 0.316 nan 8.310 nan 0.000 0.510 156 K N 2.426 122.821 120.400 -0.008 0.000 2.450 156 K HA 0.588 4.907 4.320 -0.002 0.000 0.257 156 K C -0.082 176.513 176.600 -0.009 0.000 0.953 156 K CA -0.225 56.056 56.287 -0.010 0.000 0.844 156 K CB 1.333 33.823 32.500 -0.017 0.000 1.103 156 K HN 0.654 nan 8.250 nan 0.000 0.429 157 T N -0.897 113.656 114.554 -0.001 0.000 2.919 157 T HA 0.773 5.122 4.350 -0.002 0.000 0.282 157 T C 0.541 175.251 174.700 0.016 0.000 1.020 157 T CA -0.638 61.465 62.100 0.006 0.000 0.994 157 T CB 1.479 70.360 68.868 0.021 0.000 1.180 157 T HN 0.645 nan 8.240 nan 0.000 0.566 158 A N 0.794 123.634 122.820 0.033 0.000 2.520 158 A HA 0.473 4.792 4.320 -0.002 0.000 0.235 158 A C 0.498 178.143 177.584 0.101 0.000 1.065 158 A CA -0.551 51.530 52.037 0.073 0.000 0.764 158 A CB -0.429 18.633 19.000 0.103 0.000 1.002 158 A HN 0.848 nan 8.150 nan 0.000 0.502 159 V N 3.007 122.985 119.914 0.107 0.000 2.585 159 V HA 0.051 4.170 4.120 -0.002 0.000 0.296 159 V C 0.453 176.630 176.094 0.139 0.000 1.035 159 V CA -0.152 62.224 62.300 0.128 0.000 1.084 159 V CB 0.568 32.484 31.823 0.156 0.000 0.953 159 V HN 0.707 nan 8.190 nan 0.000 0.483 160 L N 7.316 128.600 121.223 0.102 0.000 2.331 160 L HA 0.461 4.800 4.340 -0.002 0.000 0.278 160 L C -0.181 176.683 176.870 -0.009 0.000 1.106 160 L CA 0.666 55.516 54.840 0.017 0.000 0.824 160 L CB 0.325 42.395 42.059 0.019 0.000 1.142 160 L HN 0.447 nan 8.230 nan 0.000 0.443 161 I N 5.469 125.963 120.570 -0.127 0.000 2.533 161 I HA 0.344 4.513 4.170 -0.002 0.000 0.290 161 I C -0.877 175.077 176.117 -0.272 0.000 1.056 161 I CA -0.860 60.371 61.300 -0.115 0.000 1.057 161 I CB 2.125 40.177 38.000 0.086 0.000 1.240 161 I HN 0.158 nan 8.210 nan 0.000 0.423 162 V N 6.075 125.782 119.914 -0.346 0.000 2.435 162 V HA 0.411 4.530 4.120 -0.002 0.000 0.290 162 V C 0.165 176.319 176.094 0.100 0.000 1.030 162 V CA -0.664 61.480 62.300 -0.259 0.000 0.881 162 V CB 2.006 33.534 31.823 -0.492 0.000 0.983 162 V HN 0.665 nan 8.190 nan 0.000 0.445 163 R N 6.998 127.558 120.500 0.099 0.000 2.215 163 R HA 0.436 4.775 4.340 -0.002 0.000 0.336 163 R C -2.596 173.855 176.300 0.252 0.000 0.996 163 R CA -1.630 54.581 56.100 0.186 0.000 0.847 163 R CB 1.586 31.962 30.300 0.127 0.000 1.127 163 R HN 0.458 nan 8.270 nan 0.000 0.465 164 P HA 0.164 nan 4.420 nan 0.000 0.276 164 P C -0.849 176.525 177.300 0.124 0.000 1.261 164 P CA -0.490 62.725 63.100 0.192 0.000 0.800 164 P CB 0.782 32.577 31.700 0.158 0.000 1.066 165 R N -0.338 120.209 120.500 0.078 0.000 2.756 165 R HA 0.307 4.647 4.340 -0.002 0.000 0.264 165 R C 1.198 177.450 176.300 -0.080 0.000 1.026 165 R CA 0.290 56.385 56.100 -0.009 0.000 1.121 165 R CB -0.341 29.918 30.300 -0.068 0.000 0.999 165 R HN 0.597 nan 8.270 nan 0.000 0.449 166 G N 0.511 109.230 108.800 -0.135 0.000 2.634 166 G HA2 -0.079 3.880 3.960 -0.002 0.000 0.255 166 G HA3 -0.079 3.880 3.960 -0.002 0.000 0.255 166 G C 0.041 174.837 174.900 -0.175 0.000 1.205 166 G CA -0.678 44.343 45.100 -0.132 0.000 0.884 166 G HN 0.854 nan 8.290 nan 0.000 0.549 167 W N -0.588 120.717 121.300 0.008 0.000 2.538 167 W HA -0.069 4.590 4.660 -0.002 0.000 0.254 167 W C 2.275 178.738 176.519 -0.093 0.000 1.249 167 W CA 0.775 58.074 57.345 -0.077 0.000 1.253 167 W CB 0.128 29.553 29.460 -0.058 0.000 1.130 167 W HN 0.750 nan 8.180 nan 0.000 0.618 168 H N -1.602 117.518 119.070 0.083 0.000 2.563 168 H HA 0.247 4.802 4.556 -0.002 0.000 0.264 168 H C 0.448 175.771 175.328 -0.009 0.000 0.957 168 H CA 0.222 56.285 56.048 0.026 0.000 1.173 168 H CB -0.583 29.150 29.762 -0.048 0.000 1.420 168 H HN 0.103 nan 8.280 nan 0.000 0.551 169 L N 1.881 122.802 121.223 -0.503 0.000 2.325 169 L HA 0.326 4.665 4.340 -0.002 0.000 0.279 169 L C 0.094 176.860 176.870 -0.174 0.000 1.054 169 L CA -0.483 54.139 54.840 -0.363 0.000 0.804 169 L CB 2.042 43.809 42.059 -0.487 0.000 1.200 169 L HN 0.104 nan 8.230 nan 0.000 0.436 170 E N 1.046 121.163 120.200 -0.137 0.000 2.235 170 E HA 0.286 4.635 4.350 -0.002 0.000 0.265 170 E C -1.098 175.494 176.600 -0.013 0.000 0.940 170 E CA -0.794 55.595 56.400 -0.018 0.000 0.819 170 E CB 2.172 31.913 29.700 0.069 0.000 1.206 170 E HN 0.316 nan 8.360 nan 0.000 0.409 171 E N 1.985 122.249 120.200 0.105 0.000 2.070 171 E HA 0.046 4.395 4.350 -0.002 0.000 0.261 171 E C -0.013 176.716 176.600 0.216 0.000 0.926 171 E CA -0.290 56.249 56.400 0.232 0.000 0.760 171 E CB 0.308 30.147 29.700 0.231 0.000 1.133 171 E HN 0.466 nan 8.360 nan 0.000 0.420 172 K N 2.630 123.180 120.400 0.249 0.000 2.555 172 K HA -0.047 4.272 4.320 -0.002 0.000 0.193 172 K C 0.204 176.619 176.600 -0.309 0.000 1.032 172 K CA 0.866 57.118 56.287 -0.059 0.000 1.004 172 K CB -0.042 32.361 32.500 -0.163 0.000 0.804 172 K HN 0.450 nan 8.250 nan 0.000 0.496 173 H N 0.049 119.056 119.070 -0.106 0.000 2.553 173 H HA 0.307 4.862 4.556 -0.002 0.000 0.265 173 H C -0.053 175.013 175.328 -0.437 0.000 0.964 173 H CA 0.198 55.979 56.048 -0.445 0.000 1.156 173 H CB 0.270 29.438 29.762 -0.991 0.000 1.411 173 H HN 0.062 nan 8.280 nan 0.000 0.558 174 M N 0.580 120.118 119.600 -0.103 0.000 2.393 174 M HA 0.343 4.822 4.480 -0.002 0.000 0.299 174 M C -1.229 175.031 176.300 -0.068 0.000 1.103 174 M CA -0.599 54.663 55.300 -0.063 0.000 0.910 174 M CB 2.824 35.450 32.600 0.042 0.000 1.659 174 M HN -0.016 nan 8.290 nan 0.000 0.445 175 Q N 1.198 120.938 119.800 -0.101 0.000 2.413 175 Q HA 0.741 5.080 4.340 -0.002 0.000 0.276 175 Q C -1.407 174.475 176.000 -0.197 0.000 1.099 175 Q CA -0.696 55.025 55.803 -0.137 0.000 0.814 175 Q CB 3.473 32.148 28.738 -0.106 0.000 1.379 175 Q HN 0.529 nan 8.270 nan 0.000 0.436 176 V N 2.535 122.258 119.914 -0.318 0.000 2.349 176 V HA 0.254 4.373 4.120 -0.002 0.000 0.284 176 V C -0.907 175.074 176.094 -0.190 0.000 1.014 176 V CA -0.658 61.443 62.300 -0.331 0.000 0.826 176 V CB 1.472 32.886 31.823 -0.680 0.000 1.009 176 V HN 0.862 nan 8.190 nan 0.000 0.431 177 D N 4.468 124.804 120.400 -0.106 0.000 2.699 177 D HA -0.188 4.452 4.640 -0.002 0.000 0.239 177 D C 1.394 177.664 176.300 -0.050 0.000 1.136 177 D CA 1.797 55.761 54.000 -0.059 0.000 0.668 177 D CB -1.062 39.717 40.800 -0.036 0.000 1.060 177 D HN 1.357 nan 8.370 nan 0.000 0.429 178 G N -0.507 108.256 108.800 -0.061 0.000 2.245 178 G HA2 -0.401 3.558 3.960 -0.002 0.000 0.264 178 G HA3 -0.401 3.558 3.960 -0.002 0.000 0.264 178 G C 0.448 175.324 174.900 -0.041 0.000 0.985 178 G CA 0.827 45.898 45.100 -0.049 0.000 0.625 178 G HN 0.557 nan 8.290 nan 0.000 0.536 179 K N 1.088 121.466 120.400 -0.038 0.000 2.227 179 K HA 0.360 4.679 4.320 -0.002 0.000 0.280 179 K C 0.210 176.807 176.600 -0.005 0.000 1.041 179 K CA -0.817 55.476 56.287 0.009 0.000 0.905 179 K CB 0.229 32.781 32.500 0.085 0.000 1.068 179 K HN 0.170 nan 8.250 nan 0.000 0.470 180 N N 3.467 122.180 118.700 0.022 0.000 2.294 180 N HA -0.082 4.657 4.740 -0.002 0.000 0.248 180 N C 0.136 175.712 175.510 0.109 0.000 1.242 180 N CA 0.728 53.799 53.050 0.035 0.000 0.848 180 N CB 0.333 38.855 38.487 0.058 0.000 1.084 180 N HN 0.476 nan 8.380 nan 0.000 0.457 181 M N 0.301 119.951 119.600 0.083 0.000 2.226 181 M HA 0.014 4.493 4.480 -0.002 0.000 0.324 181 M C 0.979 177.370 176.300 0.151 0.000 1.112 181 M CA -0.026 55.381 55.300 0.180 0.000 1.176 181 M CB 0.509 33.176 32.600 0.112 0.000 1.430 181 M HN 0.433 nan 8.290 nan 0.000 0.462 182 S N 1.200 116.986 115.700 0.144 0.000 2.516 182 S HA 0.153 4.622 4.470 -0.002 0.000 0.282 182 S C 1.263 175.903 174.600 0.067 0.000 1.286 182 S CA -0.057 58.194 58.200 0.085 0.000 1.066 182 S CB 0.666 63.916 63.200 0.083 0.000 0.884 182 S HN 0.808 nan 8.310 nan 0.000 0.491 183 G N 4.009 112.821 108.800 0.020 0.000 2.440 183 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.218 183 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.218 183 G C 1.571 176.470 174.900 -0.002 0.000 1.154 183 G CA 0.998 46.093 45.100 -0.007 0.000 0.767 183 G HN 0.744 nan 8.290 nan 0.000 0.552 184 S N 0.546 116.234 115.700 -0.020 0.000 2.365 184 S HA -0.071 4.398 4.470 -0.002 0.000 0.225 184 S C 2.276 176.937 174.600 0.103 0.000 1.039 184 S CA 1.133 59.322 58.200 -0.018 0.000 1.033 184 S CB -0.308 62.665 63.200 -0.378 0.000 0.887 184 S HN 0.323 nan 8.310 nan 0.000 0.447 185 L N 0.886 122.149 121.223 0.066 0.000 2.156 185 L HA -0.034 4.305 4.340 -0.002 0.000 0.208 185 L C 2.310 179.276 176.870 0.160 0.000 1.095 185 L CA 0.644 55.556 54.840 0.120 0.000 0.770 185 L CB -0.580 41.510 42.059 0.052 0.000 0.914 185 L HN 0.203 nan 8.230 nan 0.000 0.439 186 V N -0.233 119.737 119.914 0.095 0.000 2.307 186 V HA -0.249 3.870 4.120 -0.002 0.000 0.245 186 V C 2.109 178.205 176.094 0.004 0.000 1.045 186 V CA 1.791 64.130 62.300 0.065 0.000 1.024 186 V CB -0.420 31.446 31.823 0.072 0.000 0.651 186 V HN 0.404 nan 8.190 nan 0.000 0.449 187 D N -0.259 120.097 120.400 -0.074 0.000 2.097 187 D HA -0.186 4.453 4.640 -0.002 0.000 0.195 187 D C 1.905 178.183 176.300 -0.036 0.000 0.989 187 D CA 1.578 55.384 54.000 -0.324 0.000 0.827 187 D CB -0.388 40.193 40.800 -0.366 0.000 0.966 187 D HN 0.482 nan 8.370 nan 0.000 0.456 188 F N 1.573 121.547 119.950 0.040 0.000 2.075 188 F HA -0.063 4.463 4.527 -0.002 0.000 0.297 188 F C 2.229 178.210 175.800 0.303 0.000 1.113 188 F CA 2.158 60.230 58.000 0.121 0.000 1.218 188 F CB -0.574 38.421 39.000 -0.009 0.000 0.984 188 F HN -0.045 nan 8.300 nan 0.000 0.472 189 G N 1.260 110.144 108.800 0.141 0.000 2.459 189 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.217 189 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.217 189 G C 1.753 176.849 174.900 0.327 0.000 1.183 189 G CA 1.237 46.444 45.100 0.178 0.000 0.776 189 G HN 0.458 nan 8.290 nan 0.000 0.552 190 L N -1.032 120.334 121.223 0.239 0.000 2.131 190 L HA -0.054 4.285 4.340 -0.002 0.000 0.210 190 L C 2.598 179.704 176.870 0.394 0.000 1.092 190 L CA 1.169 56.207 54.840 0.330 0.000 0.759 190 L CB -0.410 41.763 42.059 0.190 0.000 0.903 190 L HN 0.342 nan 8.230 nan 0.000 0.435 191 Y N -0.091 120.319 120.300 0.183 0.000 2.184 191 Y HA -0.277 4.272 4.550 -0.002 0.000 0.290 191 Y C 2.418 178.428 175.900 0.182 0.000 1.129 191 Y CA 1.176 59.393 58.100 0.196 0.000 1.144 191 Y CB -0.406 38.199 38.460 0.242 0.000 0.995 191 Y HN 0.050 nan 8.280 nan 0.000 0.513 192 F N -0.117 119.833 119.950 -0.000 0.000 2.069 192 F HA -0.268 4.258 4.527 -0.002 0.000 0.298 192 F C 2.182 177.888 175.800 -0.156 0.000 1.113 192 F CA 2.009 59.923 58.000 -0.144 0.000 1.214 192 F CB -1.074 37.702 39.000 -0.374 0.000 0.978 192 F HN 0.176 nan 8.300 nan 0.000 0.474 193 F N 0.497 120.381 119.950 -0.109 0.000 2.069 193 F HA -0.234 4.292 4.527 -0.002 0.000 0.298 193 F C 2.491 178.029 175.800 -0.436 0.000 1.113 193 F CA 2.461 60.249 58.000 -0.353 0.000 1.214 193 F CB -0.900 37.966 39.000 -0.223 0.000 0.978 193 F HN 0.049 nan 8.300 nan 0.000 0.474 194 H N -1.336 117.695 119.070 -0.065 0.000 2.529 194 H HA 0.084 4.639 4.556 -0.002 0.000 0.277 194 H C 1.019 176.159 175.328 -0.314 0.000 0.999 194 H CA 1.481 57.438 56.048 -0.152 0.000 1.256 194 H CB -0.059 29.716 29.762 0.023 0.000 1.402 194 H HN 0.362 nan 8.280 nan 0.000 0.566 195 N N -1.194 117.281 118.700 -0.375 0.000 2.168 195 N HA 0.169 4.908 4.740 -0.002 0.000 0.216 195 N C 1.409 176.599 175.510 -0.534 0.000 1.259 195 N CA 0.506 53.274 53.050 -0.469 0.000 0.902 195 N CB 0.687 38.782 38.487 -0.653 0.000 1.079 195 N HN 0.175 nan 8.380 nan 0.000 0.507 196 A N 1.789 124.213 122.820 -0.661 0.000 1.883 196 A HA -0.175 4.144 4.320 -0.002 0.000 0.217 196 A C 1.975 179.296 177.584 -0.439 0.000 1.186 196 A CA 1.488 53.146 52.037 -0.631 0.000 0.624 196 A CB -0.291 18.093 19.000 -1.027 0.000 0.822 196 A HN 0.142 nan 8.150 nan 0.000 0.444 197 K N -0.565 119.579 120.400 -0.425 0.000 2.057 197 K HA 0.009 4.328 4.320 -0.002 0.000 0.206 197 K C 2.326 178.785 176.600 -0.235 0.000 1.050 197 K CA 0.993 57.101 56.287 -0.297 0.000 0.935 197 K CB -0.297 32.030 32.500 -0.288 0.000 0.715 197 K HN 0.439 nan 8.250 nan 0.000 0.439 198 A N 1.390 124.065 122.820 -0.242 0.000 1.902 198 A HA -0.135 4.184 4.320 -0.002 0.000 0.217 198 A C 2.104 179.582 177.584 -0.178 0.000 1.181 198 A CA 1.236 53.163 52.037 -0.184 0.000 0.623 198 A CB -0.624 18.277 19.000 -0.165 0.000 0.818 198 A HN 0.153 nan 8.150 nan 0.000 0.443 199 L N -0.774 120.311 121.223 -0.230 0.000 2.046 199 L HA -0.192 4.147 4.340 -0.002 0.000 0.208 199 L C 2.538 179.294 176.870 -0.189 0.000 1.077 199 L CA 1.108 55.812 54.840 -0.228 0.000 0.747 199 L CB -0.488 41.379 42.059 -0.321 0.000 0.896 199 L HN 0.371 nan 8.230 nan 0.000 0.432 200 L N -0.645 120.468 121.223 -0.184 0.000 2.083 200 L HA -0.210 4.129 4.340 -0.002 0.000 0.209 200 L C 2.417 179.230 176.870 -0.094 0.000 1.083 200 L CA 1.262 56.026 54.840 -0.126 0.000 0.752 200 L CB -0.406 41.582 42.059 -0.119 0.000 0.899 200 L HN 0.260 nan 8.230 nan 0.000 0.433 201 E N 0.262 120.400 120.200 -0.103 0.000 2.268 201 E HA -0.206 4.144 4.350 -0.002 0.000 0.195 201 E C 1.688 178.250 176.600 -0.064 0.000 0.995 201 E CA 0.920 57.272 56.400 -0.079 0.000 0.836 201 E CB 0.091 29.740 29.700 -0.084 0.000 0.763 201 E HN 0.518 nan 8.360 nan 0.000 0.491 202 K N -0.830 119.528 120.400 -0.071 0.000 2.417 202 K HA 0.203 4.522 4.320 -0.002 0.000 0.196 202 K C 0.970 177.546 176.600 -0.040 0.000 1.023 202 K CA 0.578 56.833 56.287 -0.053 0.000 1.122 202 K CB 0.657 33.123 32.500 -0.056 0.000 0.850 202 K HN 0.082 nan 8.250 nan 0.000 0.521 203 G N 0.343 109.118 108.800 -0.041 0.000 2.157 203 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.248 203 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.248 203 G C 0.224 175.124 174.900 -0.001 0.000 0.979 203 G CA 0.358 45.448 45.100 -0.017 0.000 0.650 203 G HN 0.453 nan 8.290 nan 0.000 0.529 204 S N -1.266 114.410 115.700 -0.040 0.000 2.869 204 S HA 0.942 5.411 4.470 -0.002 0.000 0.237 204 S C 0.704 175.190 174.600 -0.190 0.000 1.077 204 S CA 0.900 59.068 58.200 -0.054 0.000 1.140 204 S CB 1.441 64.578 63.200 -0.106 0.000 1.187 204 S HN 1.935 nan 8.310 nan 0.000 0.571 205 G N 0.414 108.841 108.800 -0.623 0.000 2.495 205 G HA2 0.479 4.438 3.960 -0.002 0.000 0.294 205 G HA3 0.479 4.438 3.960 -0.002 0.000 0.294 205 G C -3.346 170.981 174.900 -0.956 0.000 1.397 205 G CA -0.796 43.915 45.100 -0.648 0.000 0.790 205 G HN 0.449 nan 8.290 nan 0.000 0.486 206 P HA 0.337 nan 4.420 nan 0.000 0.277 206 P C -1.433 175.739 177.300 -0.213 0.000 1.354 206 P CA -0.019 62.926 63.100 -0.258 0.000 0.891 206 P CB 0.067 31.872 31.700 0.175 0.000 1.058 207 Y N 3.257 123.328 120.300 -0.382 0.000 2.409 207 Y HA 0.562 5.111 4.550 -0.001 0.000 0.339 207 Y C 0.281 175.724 175.900 -0.763 0.000 1.033 207 Y CA -1.316 56.553 58.100 -0.386 0.000 1.094 207 Y CB 1.143 39.481 38.460 -0.204 0.000 1.210 207 Y HN 0.208 nan 8.280 nan 0.000 0.456 208 F N 0.883 120.891 119.950 0.095 0.000 2.588 208 F HA 0.458 4.984 4.527 -0.002 0.000 0.314 208 F C -1.099 174.647 175.800 -0.090 0.000 1.069 208 F CA -1.409 56.594 58.000 0.005 0.000 0.931 208 F CB 1.634 40.620 39.000 -0.023 0.000 1.260 208 F HN 0.310 nan 8.300 nan 0.000 0.465 209 Y N 3.032 123.413 120.300 0.134 0.000 2.369 209 Y HA 0.528 5.077 4.550 -0.002 0.000 0.337 209 Y C -0.608 175.294 175.900 0.002 0.000 0.961 209 Y CA -0.622 57.529 58.100 0.085 0.000 1.186 209 Y CB 0.958 39.493 38.460 0.124 0.000 1.139 209 Y HN 0.310 nan 8.280 nan 0.000 0.494 210 L N 8.181 129.451 121.223 0.077 0.000 2.257 210 L HA 0.433 4.772 4.340 -0.002 0.000 0.290 210 L C -2.358 174.552 176.870 0.068 0.000 1.044 210 L CA -1.941 52.820 54.840 -0.132 0.000 0.810 210 L CB 0.793 42.627 42.059 -0.376 0.000 1.193 210 L HN 0.386 nan 8.230 nan 0.000 0.425 211 P HA 0.230 nan 4.420 nan 0.000 0.285 211 P C -0.587 176.830 177.300 0.195 0.000 1.269 211 P CA -0.549 62.648 63.100 0.163 0.000 0.844 211 P CB 1.367 33.158 31.700 0.152 0.000 1.094 212 K N -0.741 119.806 120.400 0.245 0.000 3.130 212 K HA -0.166 4.153 4.320 -0.002 0.000 0.282 212 K C 0.439 177.222 176.600 0.305 0.000 1.145 212 K CA 0.625 57.086 56.287 0.289 0.000 0.831 212 K CB -1.507 31.165 32.500 0.287 0.000 1.226 212 K HN 0.560 nan 8.250 nan 0.000 0.478 213 M N 0.436 120.218 119.600 0.303 0.000 2.248 213 M HA 0.002 4.481 4.480 -0.002 0.000 0.337 213 M C 1.065 177.535 176.300 0.284 0.000 1.121 213 M CA 1.056 56.554 55.300 0.329 0.000 1.155 213 M CB 0.393 33.204 32.600 0.352 0.000 1.514 213 M HN 0.069 nan 8.290 nan 0.000 0.452 214 E N 0.116 120.449 120.200 0.222 0.000 2.562 214 E HA 0.140 4.489 4.350 -0.002 0.000 0.214 214 E C -0.311 176.362 176.600 0.122 0.000 0.979 214 E CA -0.181 56.307 56.400 0.146 0.000 1.002 214 E CB 1.009 30.670 29.700 -0.064 0.000 1.048 214 E HN 0.627 nan 8.360 nan 0.000 0.488 215 S N -0.539 115.244 115.700 0.138 0.000 2.543 215 S HA 0.084 4.553 4.470 -0.002 0.000 0.274 215 S C 0.129 174.802 174.600 0.121 0.000 1.149 215 S CA -0.818 57.430 58.200 0.079 0.000 0.866 215 S CB 0.355 63.501 63.200 -0.090 0.000 1.111 215 S HN 0.295 nan 8.310 nan 0.000 0.457 216 Y N 2.814 123.201 120.300 0.146 0.000 2.483 216 Y HA 0.195 4.744 4.550 -0.002 0.000 0.291 216 Y C 1.394 177.358 175.900 0.107 0.000 1.143 216 Y CA 0.980 59.169 58.100 0.148 0.000 1.289 216 Y CB -0.507 38.045 38.460 0.154 0.000 0.983 216 Y HN 0.541 nan 8.280 nan 0.000 0.556 217 L N 0.459 121.454 121.223 -0.380 0.000 2.217 217 L HA -0.087 4.252 4.340 -0.002 0.000 0.211 217 L C 2.157 178.943 176.870 -0.139 0.000 1.107 217 L CA 1.199 55.865 54.840 -0.290 0.000 0.783 217 L CB -0.367 41.461 42.059 -0.384 0.000 0.919 217 L HN 0.310 nan 8.230 nan 0.000 0.442 218 E N 0.128 120.288 120.200 -0.067 0.000 2.274 218 E HA -0.131 4.218 4.350 -0.002 0.000 0.194 218 E C 2.231 178.967 176.600 0.227 0.000 0.996 218 E CA 0.850 57.264 56.400 0.023 0.000 0.840 218 E CB 0.008 29.808 29.700 0.166 0.000 0.772 218 E HN 0.480 nan 8.360 nan 0.000 0.491 219 A N 1.561 124.521 122.820 0.232 0.000 1.872 219 A HA -0.143 4.176 4.320 -0.002 0.000 0.214 219 A C 2.094 179.784 177.584 0.177 0.000 1.187 219 A CA 1.112 53.318 52.037 0.281 0.000 0.614 219 A CB -0.352 18.821 19.000 0.288 0.000 0.826 219 A HN 0.058 nan 8.150 nan 0.000 0.442 220 R N -0.676 119.898 120.500 0.124 0.000 2.103 220 R HA -0.202 4.137 4.340 -0.002 0.000 0.242 220 R C 2.058 178.316 176.300 -0.070 0.000 1.142 220 R CA 1.911 58.039 56.100 0.048 0.000 0.960 220 R CB -0.502 29.831 30.300 0.056 0.000 0.858 220 R HN 0.452 nan 8.270 nan 0.000 0.439 221 L N 0.063 121.201 121.223 -0.142 0.000 1.989 221 L HA -0.171 4.168 4.340 -0.002 0.000 0.211 221 L C 1.813 178.441 176.870 -0.403 0.000 1.071 221 L CA 1.990 56.630 54.840 -0.334 0.000 0.749 221 L CB -0.786 40.921 42.059 -0.585 0.000 0.890 221 L HN 0.287 nan 8.230 nan 0.000 0.431 222 W N 0.272 121.431 121.300 -0.235 0.000 2.321 222 W HA -0.290 4.369 4.660 -0.001 0.000 0.306 222 W C 2.799 178.627 176.519 -1.151 0.000 1.217 222 W CA 1.584 58.506 57.345 -0.705 0.000 1.257 222 W CB -0.509 28.604 29.460 -0.579 0.000 1.145 222 W HN 0.375 nan 8.180 nan 0.000 0.509 223 N N 0.337 118.818 118.700 -0.366 0.000 2.120 223 N HA -0.183 4.556 4.740 -0.002 0.000 0.188 223 N C 1.100 176.475 175.510 -0.224 0.000 1.024 223 N CA 1.767 54.676 53.050 -0.236 0.000 0.852 223 N CB -0.273 38.242 38.487 0.046 0.000 1.003 223 N HN 0.086 nan 8.380 nan 0.000 0.424 224 D N 0.274 120.527 120.400 -0.245 0.000 2.144 224 D HA -0.069 4.570 4.640 -0.002 0.000 0.200 224 D C 2.100 178.181 176.300 -0.364 0.000 0.978 224 D CA 0.434 54.347 54.000 -0.145 0.000 0.833 224 D CB -0.185 40.586 40.800 -0.047 0.000 0.961 224 D HN 0.070 nan 8.370 nan 0.000 0.470 225 V N 1.076 120.457 119.914 -0.888 0.000 2.332 225 V HA -0.248 3.871 4.120 -0.002 0.000 0.248 225 V C 2.192 178.112 176.094 -0.291 0.000 1.055 225 V CA 1.274 62.968 62.300 -1.009 0.000 1.038 225 V CB -0.525 30.630 31.823 -1.113 0.000 0.651 225 V HN 0.060 nan 8.190 nan 0.000 0.450 226 F N 0.042 119.783 119.950 -0.349 0.000 2.102 226 F HA -0.125 4.401 4.527 -0.002 0.000 0.298 226 F C 2.431 178.156 175.800 -0.126 0.000 1.105 226 F CA 0.918 58.730 58.000 -0.314 0.000 1.239 226 F CB -1.632 37.024 39.000 -0.573 0.000 0.991 226 F HN -0.035 nan 8.300 nan 0.000 0.474 227 V N 0.206 120.208 119.914 0.147 0.000 2.252 227 V HA -0.355 3.764 4.120 -0.002 0.000 0.249 227 V C 2.285 178.556 176.094 0.295 0.000 1.056 227 V CA 2.149 64.591 62.300 0.237 0.000 1.022 227 V CB -1.036 30.932 31.823 0.242 0.000 0.641 227 V HN 0.299 nan 8.190 nan 0.000 0.445 228 F N 1.285 121.372 119.950 0.228 0.000 2.095 228 F HA -0.196 4.330 4.527 -0.002 0.000 0.298 228 F C 2.286 178.322 175.800 0.393 0.000 1.104 228 F CA 1.697 59.897 58.000 0.334 0.000 1.232 228 F CB -0.589 38.703 39.000 0.486 0.000 0.987 228 F HN 0.070 nan 8.300 nan 0.000 0.475 229 A N -0.000 123.081 122.820 0.435 0.000 1.883 229 A HA -0.259 4.060 4.320 -0.002 0.000 0.217 229 A C 2.125 179.929 177.584 0.366 0.000 1.186 229 A CA 1.989 54.259 52.037 0.389 0.000 0.624 229 A CB -0.969 18.078 19.000 0.078 0.000 0.822 229 A HN 0.623 nan 8.150 nan 0.000 0.444 230 Q N -0.690 119.295 119.800 0.310 0.000 2.050 230 Q HA -0.185 4.154 4.340 -0.002 0.000 0.202 230 Q C 2.247 178.386 176.000 0.231 0.000 0.980 230 Q CA 1.764 57.790 55.803 0.372 0.000 0.840 230 Q CB -0.210 28.711 28.738 0.305 0.000 0.898 230 Q HN 0.742 nan 8.270 nan 0.000 0.424 231 K N 0.139 120.633 120.400 0.157 0.000 2.057 231 K HA -0.230 4.089 4.320 -0.002 0.000 0.207 231 K C 1.999 178.618 176.600 0.032 0.000 1.049 231 K CA 1.295 57.627 56.287 0.073 0.000 0.931 231 K CB -0.258 32.271 32.500 0.049 0.000 0.714 231 K HN 0.204 nan 8.250 nan 0.000 0.440 232 Y N 1.792 122.001 120.300 -0.151 0.000 2.165 232 Y HA -0.201 4.348 4.550 -0.002 0.000 0.286 232 Y C 1.869 177.728 175.900 -0.068 0.000 1.155 232 Y CA 2.139 60.142 58.100 -0.162 0.000 1.164 232 Y CB 0.012 38.365 38.460 -0.177 0.000 0.978 232 Y HN 0.239 nan 8.280 nan 0.000 0.513 233 I N -3.096 117.570 120.570 0.161 0.000 3.883 233 I HA 0.423 4.592 4.170 -0.002 0.000 0.326 233 I C 1.274 177.363 176.117 -0.045 0.000 1.283 233 I CA 0.613 61.912 61.300 -0.002 0.000 1.161 233 I CB -0.106 37.829 38.000 -0.107 0.000 1.012 233 I HN 0.190 nan 8.210 nan 0.000 0.421 234 G N 3.339 112.143 108.800 0.005 0.000 2.256 234 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.272 234 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.272 234 G C -0.034 174.869 174.900 0.005 0.000 1.076 234 G CA 0.481 45.578 45.100 -0.006 0.000 0.882 234 G HN 0.775 nan 8.290 nan 0.000 0.497 235 I N -2.721 117.880 120.570 0.052 0.000 2.822 235 I HA 0.854 5.023 4.170 -0.002 0.000 0.312 235 I C -2.117 174.061 176.117 0.102 0.000 1.011 235 I CA -3.332 58.002 61.300 0.057 0.000 1.105 235 I CB 1.688 39.719 38.000 0.052 0.000 1.291 235 I HN -0.088 nan 8.210 nan 0.000 0.474 236 P HA 0.185 nan 4.420 nan 0.000 0.274 236 P C -0.889 176.509 177.300 0.162 0.000 1.231 236 P CA -0.250 62.914 63.100 0.106 0.000 0.790 236 P CB 0.384 32.130 31.700 0.078 0.000 0.951 237 N N 0.758 119.559 118.700 0.169 0.000 2.374 237 N HA 0.244 4.983 4.740 -0.002 0.000 0.241 237 N C 1.282 176.914 175.510 0.203 0.000 1.262 237 N CA 1.965 55.164 53.050 0.248 0.000 0.880 237 N CB -0.252 38.353 38.487 0.197 0.000 1.105 237 N HN 0.728 nan 8.380 nan 0.000 0.438 238 G N 0.104 109.058 108.800 0.256 0.000 2.136 238 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.242 238 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.242 238 G C 0.747 175.750 174.900 0.171 0.000 0.989 238 G CA 0.657 45.761 45.100 0.006 0.000 0.682 238 G HN 0.614 nan 8.290 nan 0.000 0.522 239 T N 0.086 114.814 114.554 0.289 0.000 3.046 239 T HA 0.323 4.672 4.350 -0.002 0.000 0.242 239 T C 1.428 176.293 174.700 0.274 0.000 1.018 239 T CA 0.429 62.669 62.100 0.233 0.000 1.131 239 T CB 0.297 69.284 68.868 0.197 0.000 0.904 239 T HN 0.372 nan 8.240 nan 0.000 0.459 240 I N 2.638 123.387 120.570 0.298 0.000 2.683 240 I HA 0.052 4.221 4.170 -0.002 0.000 0.286 240 I C 0.076 176.302 176.117 0.181 0.000 1.175 240 I CA 0.249 61.656 61.300 0.178 0.000 1.429 240 I CB 0.398 38.269 38.000 -0.215 0.000 1.371 240 I HN -0.142 nan 8.210 nan 0.000 0.569 241 K N 6.191 126.727 120.400 0.227 0.000 2.413 241 K HA 0.683 5.002 4.320 -0.002 0.000 0.257 241 K C -0.978 175.655 176.600 0.055 0.000 0.946 241 K CA -0.562 55.792 56.287 0.111 0.000 0.823 241 K CB 2.091 34.559 32.500 -0.054 0.000 1.109 241 K HN 0.606 nan 8.250 nan 0.000 0.427 242 A N 2.436 125.287 122.820 0.051 0.000 2.319 242 A HA 0.537 4.856 4.320 -0.002 0.000 0.310 242 A C -0.392 177.160 177.584 -0.054 0.000 1.152 242 A CA -0.590 51.476 52.037 0.048 0.000 0.783 242 A CB 0.640 19.766 19.000 0.210 0.000 1.184 242 A HN 0.523 nan 8.150 nan 0.000 0.474 243 T N 1.977 116.378 114.554 -0.256 0.000 2.780 243 T HA 0.395 4.744 4.350 -0.002 0.000 0.294 243 T C 0.109 174.701 174.700 -0.181 0.000 0.949 243 T CA -0.192 61.698 62.100 -0.351 0.000 1.074 243 T CB 0.988 69.358 68.868 -0.831 0.000 0.910 243 T HN 0.388 nan 8.240 nan 0.000 0.501 244 V N 5.260 125.169 119.914 -0.008 0.000 2.385 244 V HA 0.188 4.307 4.120 -0.002 0.000 0.269 244 V C 0.448 176.645 176.094 0.172 0.000 1.043 244 V CA -0.654 61.707 62.300 0.102 0.000 0.906 244 V CB 0.567 32.472 31.823 0.137 0.000 0.995 244 V HN 0.752 nan 8.190 nan 0.000 0.467 245 L N 6.199 127.573 121.223 0.251 0.000 2.565 245 L HA 0.147 4.486 4.340 -0.002 0.000 0.275 245 L C 0.156 177.147 176.870 0.201 0.000 1.137 245 L CA 0.216 55.182 54.840 0.211 0.000 0.915 245 L CB 0.129 42.318 42.059 0.216 0.000 1.232 245 L HN 0.532 nan 8.230 nan 0.000 0.473 246 L N 5.554 126.884 121.223 0.178 0.000 2.356 246 L HA 0.141 4.480 4.340 -0.002 0.000 0.282 246 L C 0.854 177.925 176.870 0.335 0.000 1.132 246 L CA 0.504 55.494 54.840 0.251 0.000 0.923 246 L CB -0.099 42.092 42.059 0.219 0.000 1.278 246 L HN 0.730 nan 8.230 nan 0.000 0.436 247 E N 1.462 121.879 120.200 0.362 0.000 2.921 247 E HA 0.190 4.539 4.350 -0.002 0.000 0.203 247 E C -0.522 176.350 176.600 0.454 0.000 0.975 247 E CA -0.340 56.314 56.400 0.424 0.000 1.225 247 E CB 0.464 30.350 29.700 0.310 0.000 1.048 247 E HN 0.425 nan 8.360 nan 0.000 0.477 248 T N -2.243 112.559 114.554 0.413 0.000 2.909 248 T HA 0.355 4.704 4.350 -0.002 0.000 0.299 248 T C 0.635 175.414 174.700 0.132 0.000 1.073 248 T CA -0.853 61.374 62.100 0.210 0.000 0.999 248 T CB 1.757 70.787 68.868 0.269 0.000 1.098 248 T HN 0.030 nan 8.240 nan 0.000 0.477 249 I N 1.370 121.806 120.570 -0.224 0.000 2.264 249 I HA -0.169 4.000 4.170 -0.002 0.000 0.248 249 I C 2.253 178.495 176.117 0.207 0.000 1.111 249 I CA 1.722 62.967 61.300 -0.092 0.000 1.382 249 I CB -0.524 37.374 38.000 -0.169 0.000 1.060 249 I HN 0.783 nan 8.210 nan 0.000 0.418 250 H N 0.710 119.886 119.070 0.175 0.000 2.319 250 H HA -0.125 4.430 4.556 -0.001 0.000 0.297 250 H C 2.201 177.758 175.328 0.382 0.000 1.097 250 H CA 1.699 57.887 56.048 0.234 0.000 1.285 250 H CB -0.803 29.014 29.762 0.092 0.000 1.368 250 H HN 0.489 nan 8.280 nan 0.000 0.495 251 A N 0.691 123.785 122.820 0.458 0.000 2.070 251 A HA -0.115 4.204 4.320 -0.002 0.000 0.220 251 A C 2.617 180.443 177.584 0.403 0.000 1.159 251 A CA 1.353 53.636 52.037 0.411 0.000 0.656 251 A CB -0.455 18.760 19.000 0.358 0.000 0.800 251 A HN 0.299 nan 8.150 nan 0.000 0.453 252 S N -1.052 114.894 115.700 0.410 0.000 2.442 252 S HA -0.052 4.417 4.470 -0.002 0.000 0.236 252 S C 1.037 175.713 174.600 0.126 0.000 1.007 252 S CA 1.038 59.386 58.200 0.246 0.000 0.965 252 S CB -0.431 62.879 63.200 0.184 0.000 0.773 252 S HN 0.633 nan 8.310 nan 0.000 0.504 253 F N 1.040 121.232 119.950 0.404 0.000 2.749 253 F HA 0.238 4.764 4.527 -0.001 0.000 0.300 253 F C 1.452 177.509 175.800 0.428 0.000 1.103 253 F CA 0.140 58.447 58.000 0.512 0.000 1.342 253 F CB 0.244 39.460 39.000 0.360 0.000 1.098 253 F HN 0.153 nan 8.300 nan 0.000 0.586 254 E N -0.500 119.983 120.200 0.471 0.000 2.812 254 E HA 0.142 4.491 4.350 -0.002 0.000 0.211 254 E C 1.508 178.278 176.600 0.282 0.000 0.986 254 E CA -0.006 56.616 56.400 0.370 0.000 1.119 254 E CB 0.174 30.138 29.700 0.440 0.000 1.046 254 E HN 0.383 nan 8.360 nan 0.000 0.474 255 M N 0.566 120.303 119.600 0.228 0.000 2.080 255 M HA -0.180 4.299 4.480 -0.002 0.000 0.260 255 M C 1.671 178.083 176.300 0.187 0.000 1.068 255 M CA 1.586 56.998 55.300 0.187 0.000 1.109 255 M CB -0.291 32.379 32.600 0.117 0.000 1.342 255 M HN 0.044 nan 8.290 nan 0.000 0.405 256 D N 0.298 120.787 120.400 0.148 0.000 2.144 256 D HA -0.132 4.507 4.640 -0.002 0.000 0.199 256 D C 1.822 178.314 176.300 0.319 0.000 0.984 256 D CA 1.302 55.430 54.000 0.213 0.000 0.834 256 D CB 0.048 40.921 40.800 0.122 0.000 0.955 256 D HN 0.287 nan 8.370 nan 0.000 0.465 257 E N -0.192 120.116 120.200 0.179 0.000 2.072 257 E HA -0.058 4.291 4.350 -0.002 0.000 0.191 257 E C 2.278 179.017 176.600 0.233 0.000 0.985 257 E CA 0.441 56.881 56.400 0.068 0.000 0.801 257 E CB -0.067 29.531 29.700 -0.170 0.000 0.750 257 E HN 0.361 nan 8.360 nan 0.000 0.452 258 I N 0.438 121.183 120.570 0.293 0.000 2.127 258 I HA -0.304 3.865 4.170 -0.002 0.000 0.241 258 I C 2.133 178.421 176.117 0.285 0.000 1.075 258 I CA 1.098 62.585 61.300 0.311 0.000 1.334 258 I CB -0.277 37.901 38.000 0.295 0.000 1.040 258 I HN 0.122 nan 8.210 nan 0.000 0.405 259 L N -0.603 120.804 121.223 0.307 0.000 2.042 259 L HA -0.284 4.055 4.340 -0.002 0.000 0.210 259 L C 2.686 179.744 176.870 0.313 0.000 1.076 259 L CA 1.593 56.637 54.840 0.340 0.000 0.749 259 L CB -0.811 41.497 42.059 0.415 0.000 0.893 259 L HN 0.281 nan 8.230 nan 0.000 0.432 260 Y N 1.056 121.421 120.300 0.108 0.000 2.145 260 Y HA -0.250 4.299 4.550 -0.002 0.000 0.286 260 Y C 2.622 178.406 175.900 -0.192 0.000 1.145 260 Y CA 1.596 59.463 58.100 -0.388 0.000 1.148 260 Y CB 0.012 38.197 38.460 -0.459 0.000 0.981 260 Y HN 0.129 nan 8.280 nan 0.000 0.507 261 E N 0.148 120.404 120.200 0.095 0.000 2.265 261 E HA -0.122 4.227 4.350 -0.002 0.000 0.196 261 E C 1.440 178.060 176.600 0.034 0.000 0.996 261 E CA 1.067 57.508 56.400 0.067 0.000 0.832 261 E CB -0.115 29.726 29.700 0.234 0.000 0.756 261 E HN 0.530 nan 8.360 nan 0.000 0.491 262 L N 0.847 122.120 121.223 0.084 0.000 2.910 262 L HA 0.115 4.454 4.340 -0.002 0.000 0.252 262 L C 1.930 178.876 176.870 0.127 0.000 1.195 262 L CA -0.129 54.817 54.840 0.177 0.000 1.003 262 L CB 0.236 42.440 42.059 0.240 0.000 1.328 262 L HN -0.003 nan 8.230 nan 0.000 0.540 263 K N -1.385 118.994 120.400 -0.035 0.000 2.209 263 K HA -0.141 4.178 4.320 -0.002 0.000 0.204 263 K C 0.831 177.415 176.600 -0.027 0.000 1.048 263 K CA 1.449 57.726 56.287 -0.016 0.000 0.940 263 K CB 0.002 32.401 32.500 -0.169 0.000 0.729 263 K HN 0.080 nan 8.250 nan 0.000 0.451 264 D N 0.597 120.914 120.400 -0.138 0.000 2.317 264 D HA -0.040 4.599 4.640 -0.002 0.000 0.211 264 D C 0.353 176.418 176.300 -0.391 0.000 0.966 264 D CA 0.935 54.761 54.000 -0.291 0.000 0.876 264 D CB 0.110 40.654 40.800 -0.427 0.000 0.927 264 D HN 0.542 nan 8.370 nan 0.000 0.519 265 H N -1.470 117.677 119.070 0.128 0.000 2.510 265 H HA 0.290 4.846 4.556 -0.002 0.000 0.266 265 H C -0.190 175.213 175.328 0.125 0.000 1.146 265 H CA -0.260 55.874 56.048 0.143 0.000 0.993 265 H CB 0.655 30.578 29.762 0.267 0.000 1.727 265 H HN -0.181 nan 8.280 nan 0.000 0.590 266 S N 0.945 116.742 115.700 0.162 0.000 2.508 266 S HA 0.600 5.069 4.470 -0.002 0.000 0.284 266 S C 0.710 175.340 174.600 0.049 0.000 1.192 266 S CA -0.404 57.872 58.200 0.127 0.000 1.070 266 S CB 0.795 64.082 63.200 0.145 0.000 1.004 266 S HN 0.435 nan 8.310 nan 0.000 0.493 267 A N 3.717 126.534 122.820 -0.004 0.000 2.701 267 A HA 0.684 5.003 4.320 -0.002 0.000 0.297 267 A C 0.991 178.544 177.584 -0.051 0.000 1.197 267 A CA 0.140 52.137 52.037 -0.067 0.000 0.963 267 A CB -1.020 17.873 19.000 -0.178 0.000 1.175 267 A HN 1.871 nan 8.150 nan 0.000 0.531 268 G N -0.503 108.302 108.800 0.008 0.000 2.568 268 G HA2 -0.104 3.856 3.960 -0.002 0.000 0.222 268 G HA3 -0.104 3.856 3.960 -0.002 0.000 0.222 268 G C -0.524 174.386 174.900 0.017 0.000 1.321 268 G CA -0.184 44.931 45.100 0.025 0.000 0.893 268 G HN 0.857 nan 8.290 nan 0.000 0.569 269 L N 0.267 121.500 121.223 0.015 0.000 2.303 269 L HA 0.746 5.085 4.340 -0.002 0.000 0.256 269 L C -0.089 176.778 176.870 -0.005 0.000 1.034 269 L CA -1.133 53.721 54.840 0.023 0.000 0.832 269 L CB 2.294 44.372 42.059 0.031 0.000 1.403 269 L HN 0.831 nan 8.230 nan 0.000 0.419 270 N N -0.126 118.565 118.700 -0.015 0.000 2.287 270 N HA 0.357 5.096 4.740 -0.002 0.000 0.289 270 N C -1.683 173.690 175.510 -0.228 0.000 1.066 270 N CA -0.318 52.638 53.050 -0.156 0.000 0.841 270 N CB 2.158 40.592 38.487 -0.088 0.000 1.599 270 N HN 0.574 nan 8.380 nan 0.000 0.476 271 C N 1.654 120.720 119.300 -0.390 0.000 2.401 271 C HA 0.880 5.339 4.460 -0.002 0.000 0.365 271 C C 1.159 175.922 174.990 -0.379 0.000 1.250 271 C CA -0.222 58.533 59.018 -0.438 0.000 2.131 271 C CB 0.326 27.679 27.740 -0.645 0.000 2.445 271 C HN 0.724 nan 8.230 nan 0.000 0.550 272 G N 1.630 110.359 108.800 -0.119 0.000 2.816 272 G HA2 0.636 4.595 3.960 -0.002 0.000 0.288 272 G HA3 0.636 4.595 3.960 -0.002 0.000 0.288 272 G C -0.112 174.789 174.900 0.002 0.000 1.334 272 G CA -0.353 44.696 45.100 -0.085 0.000 0.978 272 G HN 0.727 nan 8.290 nan 0.000 0.493 273 R N -1.532 118.929 120.500 -0.065 0.000 2.055 273 R HA 0.199 4.538 4.340 -0.002 0.000 0.190 273 R C 2.026 178.428 176.300 0.170 0.000 1.443 273 R CA -0.037 55.993 56.100 -0.117 0.000 1.188 273 R CB 0.008 29.963 30.300 -0.576 0.000 1.068 273 R HN 0.673 nan 8.270 nan 0.000 0.475 274 W N 1.228 122.626 121.300 0.163 0.000 2.388 274 W HA -0.125 4.535 4.660 -0.001 0.000 0.294 274 W C 1.756 178.415 176.519 0.234 0.000 1.212 274 W CA -0.095 57.350 57.345 0.168 0.000 1.271 274 W CB -0.017 29.499 29.460 0.094 0.000 1.126 274 W HN 0.285 nan 8.180 nan 0.000 0.535 275 D N -0.601 120.079 120.400 0.467 0.000 2.144 275 D HA -0.192 4.448 4.640 -0.002 0.000 0.200 275 D C 1.677 178.252 176.300 0.458 0.000 0.978 275 D CA 1.113 55.389 54.000 0.460 0.000 0.833 275 D CB -0.344 40.685 40.800 0.382 0.000 0.961 275 D HN 0.125 nan 8.370 nan 0.000 0.470 276 Y N 1.184 121.634 120.300 0.250 0.000 2.163 276 Y HA -0.103 4.447 4.550 -0.001 0.000 0.288 276 Y C 2.249 178.271 175.900 0.204 0.000 1.136 276 Y CA 1.249 59.427 58.100 0.129 0.000 1.147 276 Y CB -0.297 38.132 38.460 -0.051 0.000 0.987 276 Y HN -0.095 nan 8.280 nan 0.000 0.509 277 I N -1.096 119.714 120.570 0.400 0.000 2.179 277 I HA -0.308 3.861 4.170 -0.002 0.000 0.242 277 I C 2.232 178.553 176.117 0.340 0.000 1.088 277 I CA 1.450 62.991 61.300 0.401 0.000 1.357 277 I CB -0.663 37.649 38.000 0.519 0.000 1.051 277 I HN 0.222 nan 8.210 nan 0.000 0.409 278 F N 1.464 121.532 119.950 0.197 0.000 2.087 278 F HA -0.362 4.164 4.527 -0.002 0.000 0.299 278 F C 2.801 178.598 175.800 -0.005 0.000 1.100 278 F CA 2.010 60.068 58.000 0.096 0.000 1.226 278 F CB -0.774 38.283 39.000 0.094 0.000 0.983 278 F HN 0.034 nan 8.300 nan 0.000 0.479 279 S N -0.397 115.142 115.700 -0.268 0.000 2.368 279 S HA -0.264 4.205 4.470 -0.002 0.000 0.225 279 S C 2.121 176.399 174.600 -0.537 0.000 1.030 279 S CA 1.421 59.331 58.200 -0.483 0.000 0.999 279 S CB -1.055 61.998 63.200 -0.244 0.000 0.844 279 S HN 0.479 nan 8.310 nan 0.000 0.459 280 F N 1.705 121.357 119.950 -0.498 0.000 2.075 280 F HA -0.019 4.508 4.527 -0.001 0.000 0.297 280 F C 2.058 177.642 175.800 -0.360 0.000 1.113 280 F CA 1.788 59.544 58.000 -0.407 0.000 1.218 280 F CB -0.497 38.450 39.000 -0.087 0.000 0.984 280 F HN 0.259 nan 8.300 nan 0.000 0.472 281 L N 0.455 121.654 121.223 -0.040 0.000 2.017 281 L HA -0.262 4.077 4.340 -0.002 0.000 0.208 281 L C 2.580 179.131 176.870 -0.532 0.000 1.073 281 L CA 2.045 56.812 54.840 -0.122 0.000 0.745 281 L CB -0.582 41.503 42.059 0.043 0.000 0.894 281 L HN 0.199 nan 8.230 nan 0.000 0.432 282 K N -0.370 119.541 120.400 -0.815 0.000 2.057 282 K HA -0.186 4.133 4.320 -0.002 0.000 0.207 282 K C 1.958 177.930 176.600 -1.048 0.000 1.049 282 K CA 1.345 56.879 56.287 -1.255 0.000 0.931 282 K CB -0.183 31.542 32.500 -1.291 0.000 0.714 282 K HN 0.426 nan 8.250 nan 0.000 0.440 283 A N 0.403 122.620 122.820 -1.006 0.000 1.898 283 A HA -0.065 4.254 4.320 -0.002 0.000 0.216 283 A C 1.145 178.124 177.584 -1.008 0.000 1.181 283 A CA 1.061 52.451 52.037 -1.077 0.000 0.620 283 A CB -0.391 17.665 19.000 -1.574 0.000 0.819 283 A HN 0.359 nan 8.150 nan 0.000 0.442 284 F N 0.308 119.814 119.950 -0.739 0.000 2.730 284 F HA 0.225 4.751 4.527 -0.002 0.000 0.295 284 F C 1.797 177.266 175.800 -0.551 0.000 1.143 284 F CA -0.424 57.093 58.000 -0.806 0.000 1.367 284 F CB -0.380 37.897 39.000 -1.205 0.000 0.970 284 F HN 0.356 nan 8.300 nan 0.000 0.514 285 R N -0.580 119.668 120.500 -0.420 0.000 2.237 285 R HA -0.028 4.311 4.340 -0.002 0.000 0.219 285 R C 0.526 176.801 176.300 -0.042 0.000 1.080 285 R CA 1.244 57.214 56.100 -0.217 0.000 0.995 285 R CB -0.297 29.661 30.300 -0.570 0.000 0.875 285 R HN 0.076 nan 8.270 nan 0.000 0.462 286 N N 0.342 118.885 118.700 -0.263 0.000 2.236 286 N HA 0.026 4.765 4.740 -0.002 0.000 0.196 286 N C -0.696 174.715 175.510 -0.164 0.000 1.114 286 N CA 0.133 53.063 53.050 -0.200 0.000 0.859 286 N CB 0.332 38.649 38.487 -0.283 0.000 0.982 286 N HN 0.266 nan 8.380 nan 0.000 0.493 287 H N 0.695 119.760 119.070 -0.009 0.000 2.594 287 H HA 0.163 4.718 4.556 -0.002 0.000 0.304 287 H C 1.117 176.596 175.328 0.251 0.000 1.068 287 H CA -0.326 55.765 56.048 0.071 0.000 1.308 287 H CB 0.991 30.723 29.762 -0.050 0.000 1.409 287 H HN 0.133 nan 8.280 nan 0.000 0.460 288 N N 2.589 121.485 118.700 0.327 0.000 2.205 288 N HA -0.155 4.584 4.740 -0.002 0.000 0.186 288 N C 1.388 177.181 175.510 0.473 0.000 1.015 288 N CA 0.840 54.072 53.050 0.304 0.000 0.862 288 N CB 0.453 39.005 38.487 0.110 0.000 0.986 288 N HN 0.678 nan 8.380 nan 0.000 0.429 289 E N -0.247 120.167 120.200 0.356 0.000 2.435 289 E HA -0.116 4.233 4.350 -0.002 0.000 0.195 289 E C 0.156 176.793 176.600 0.061 0.000 1.029 289 E CA 0.360 56.865 56.400 0.175 0.000 0.865 289 E CB -0.519 29.195 29.700 0.024 0.000 0.833 289 E HN 0.299 nan 8.360 nan 0.000 0.510 290 F N 1.842 121.882 119.950 0.150 0.000 2.843 290 F HA 0.204 4.731 4.527 -0.001 0.000 0.290 290 F C 0.522 176.408 175.800 0.144 0.000 1.221 290 F CA -0.601 57.478 58.000 0.132 0.000 1.413 290 F CB -0.180 38.886 39.000 0.110 0.000 1.019 290 F HN -0.011 nan 8.300 nan 0.000 0.512 291 L N 1.588 122.882 121.223 0.119 0.000 2.367 291 L HA 0.336 4.675 4.340 -0.002 0.000 0.275 291 L C -0.533 176.414 176.870 0.128 0.000 1.129 291 L CA 0.022 54.868 54.840 0.011 0.000 0.839 291 L CB 0.303 42.107 42.059 -0.424 0.000 1.133 291 L HN 0.058 nan 8.230 nan 0.000 0.453 292 L N 6.989 128.380 121.223 0.279 0.000 2.331 292 L HA 0.617 4.956 4.340 -0.002 0.000 0.275 292 L C -2.000 175.134 176.870 0.441 0.000 1.022 292 L CA -1.970 53.060 54.840 0.317 0.000 0.812 292 L CB 1.582 43.833 42.059 0.320 0.000 1.257 292 L HN 0.560 nan 8.230 nan 0.000 0.435 293 P HA 0.087 nan 4.420 nan 0.000 0.279 293 P C -1.009 176.582 177.300 0.485 0.000 1.282 293 P CA -0.605 62.666 63.100 0.283 0.000 0.788 293 P CB 0.438 32.238 31.700 0.167 0.000 1.139 294 D N 0.033 120.662 120.400 0.382 0.000 2.730 294 D HA -0.113 4.526 4.640 -0.002 0.000 0.225 294 D C 1.738 178.250 176.300 0.353 0.000 1.107 294 D CA 0.565 54.826 54.000 0.434 0.000 0.837 294 D CB 0.323 41.267 40.800 0.240 0.000 1.171 294 D HN 0.333 nan 8.370 nan 0.000 0.498 295 R N 3.010 123.690 120.500 0.299 0.000 2.127 295 R HA -0.144 4.195 4.340 -0.002 0.000 0.238 295 R C 1.723 178.268 176.300 0.409 0.000 1.134 295 R CA 1.411 57.671 56.100 0.268 0.000 0.975 295 R CB -0.386 29.884 30.300 -0.051 0.000 0.865 295 R HN 0.333 nan 8.270 nan 0.000 0.447 296 A N 1.286 124.300 122.820 0.325 0.000 2.076 296 A HA -0.194 4.125 4.320 -0.002 0.000 0.220 296 A C 1.902 179.640 177.584 0.256 0.000 1.160 296 A CA 1.500 53.733 52.037 0.326 0.000 0.653 296 A CB -0.338 18.799 19.000 0.228 0.000 0.801 296 A HN 0.550 nan 8.150 nan 0.000 0.455 297 Q N -0.875 119.066 119.800 0.235 0.000 2.408 297 Q HA 0.132 4.471 4.340 -0.002 0.000 0.205 297 Q C -0.293 175.822 176.000 0.191 0.000 0.919 297 Q CA 0.064 55.975 55.803 0.180 0.000 0.932 297 Q CB 0.500 29.329 28.738 0.153 0.000 1.058 297 Q HN 0.401 nan 8.270 nan 0.000 0.517 298 V N 2.660 122.728 119.914 0.257 0.000 2.222 298 V HA 0.097 4.217 4.120 -0.002 0.000 0.253 298 V C 0.523 176.728 176.094 0.185 0.000 1.210 298 V CA -0.170 62.291 62.300 0.269 0.000 1.079 298 V CB -0.430 31.619 31.823 0.376 0.000 1.265 298 V HN 0.242 nan 8.190 nan 0.000 0.494 299 T N 0.551 115.166 114.554 0.102 0.000 2.893 299 T HA 0.401 4.750 4.350 -0.002 0.000 0.279 299 T C 1.126 175.802 174.700 -0.039 0.000 0.991 299 T CA -0.842 61.268 62.100 0.017 0.000 0.950 299 T CB 1.197 70.078 68.868 0.022 0.000 1.223 299 T HN 0.123 nan 8.240 nan 0.000 0.585 300 M N 1.168 120.721 119.600 -0.078 0.000 2.549 300 M HA 0.015 4.494 4.480 -0.002 0.000 0.260 300 M C 2.104 178.357 176.300 -0.079 0.000 1.076 300 M CA 1.210 56.447 55.300 -0.106 0.000 1.090 300 M CB -1.674 30.853 32.600 -0.122 0.000 1.418 300 M HN 0.954 nan 8.290 nan 0.000 0.486 301 T N -2.227 112.302 114.554 -0.041 0.000 3.065 301 T HA 0.384 4.733 4.350 -0.002 0.000 0.252 301 T C 0.945 175.645 174.700 0.001 0.000 1.099 301 T CA 0.207 62.294 62.100 -0.021 0.000 1.063 301 T CB -0.271 68.594 68.868 -0.005 0.000 0.948 301 T HN 0.292 nan 8.240 nan 0.000 0.506 302 A N 3.194 126.023 122.820 0.014 0.000 2.565 302 A HA 0.356 4.675 4.320 -0.002 0.000 0.237 302 A C -0.777 176.851 177.584 0.074 0.000 1.053 302 A CA -1.020 51.065 52.037 0.079 0.000 0.755 302 A CB 0.028 19.123 19.000 0.158 0.000 0.980 302 A HN 0.173 nan 8.150 nan 0.000 0.506 303 P HA -0.233 nan 4.420 nan 0.000 0.215 303 P C 1.357 178.743 177.300 0.144 0.000 1.157 303 P CA 2.122 65.287 63.100 0.109 0.000 0.874 303 P CB -0.173 31.591 31.700 0.108 0.000 0.790 304 F N -2.194 117.762 119.950 0.011 0.000 2.216 304 F HA -0.111 4.415 4.527 -0.002 0.000 0.300 304 F C 1.832 177.685 175.800 0.089 0.000 1.085 304 F CA 1.019 59.040 58.000 0.034 0.000 1.326 304 F CB -1.162 37.821 39.000 -0.029 0.000 1.027 304 F HN -0.240 nan 8.300 nan 0.000 0.497 305 M N 0.730 119.917 119.600 -0.689 0.000 2.200 305 M HA -0.024 4.455 4.480 -0.002 0.000 0.265 305 M C 2.254 178.461 176.300 -0.155 0.000 1.066 305 M CA 1.194 56.206 55.300 -0.479 0.000 1.127 305 M CB -1.106 31.214 32.600 -0.466 0.000 1.379 305 M HN 0.240 nan 8.290 nan 0.000 0.420 306 R N 1.234 121.667 120.500 -0.111 0.000 2.073 306 R HA -0.030 4.309 4.340 -0.002 0.000 0.234 306 R C 2.163 178.428 176.300 -0.058 0.000 1.134 306 R CA 2.166 58.222 56.100 -0.074 0.000 0.952 306 R CB -0.930 29.348 30.300 -0.038 0.000 0.850 306 R HN 0.303 nan 8.270 nan 0.000 0.433 307 A N -0.214 122.601 122.820 -0.009 0.000 1.883 307 A HA -0.236 4.083 4.320 -0.002 0.000 0.217 307 A C 2.151 179.750 177.584 0.025 0.000 1.186 307 A CA 1.736 53.782 52.037 0.015 0.000 0.624 307 A CB -1.186 17.853 19.000 0.065 0.000 0.822 307 A HN 0.599 nan 8.150 nan 0.000 0.444 308 Y N 1.092 121.316 120.300 -0.126 0.000 2.053 308 Y HA -0.245 4.304 4.550 -0.001 0.000 0.277 308 Y C 2.857 178.638 175.900 -0.200 0.000 1.159 308 Y CA 1.765 59.751 58.100 -0.190 0.000 1.125 308 Y CB -1.121 37.115 38.460 -0.373 0.000 0.969 308 Y HN 0.303 nan 8.280 nan 0.000 0.492 309 S N -0.096 115.348 115.700 -0.427 0.000 2.359 309 S HA -0.198 4.271 4.470 -0.002 0.000 0.224 309 S C 2.167 176.574 174.600 -0.322 0.000 1.035 309 S CA 1.808 59.751 58.200 -0.429 0.000 1.018 309 S CB -0.688 62.368 63.200 -0.240 0.000 0.876 309 S HN 0.531 nan 8.310 nan 0.000 0.448 310 L N 0.713 121.800 121.223 -0.227 0.000 2.093 310 L HA -0.041 4.298 4.340 -0.002 0.000 0.208 310 L C 2.746 179.494 176.870 -0.202 0.000 1.085 310 L CA 1.438 56.149 54.840 -0.215 0.000 0.755 310 L CB -0.434 41.542 42.059 -0.138 0.000 0.904 310 L HN 0.328 nan 8.230 nan 0.000 0.435 311 K N 0.006 120.319 120.400 -0.146 0.000 2.057 311 K HA -0.137 4.182 4.320 -0.002 0.000 0.206 311 K C 2.032 178.542 176.600 -0.150 0.000 1.050 311 K CA 1.049 57.265 56.287 -0.117 0.000 0.935 311 K CB 0.065 32.534 32.500 -0.053 0.000 0.715 311 K HN 0.041 nan 8.250 nan 0.000 0.439 312 V N 1.588 121.393 119.914 -0.182 0.000 2.332 312 V HA -0.286 3.833 4.120 -0.002 0.000 0.248 312 V C 2.190 178.118 176.094 -0.276 0.000 1.055 312 V CA 1.768 63.953 62.300 -0.192 0.000 1.038 312 V CB -0.317 31.365 31.823 -0.235 0.000 0.651 312 V HN 0.334 nan 8.190 nan 0.000 0.450 313 I N -0.722 119.605 120.570 -0.404 0.000 2.233 313 I HA -0.259 3.910 4.170 -0.002 0.000 0.243 313 I C 2.629 178.433 176.117 -0.521 0.000 1.093 313 I CA 1.663 62.591 61.300 -0.621 0.000 1.380 313 I CB -0.318 37.292 38.000 -0.651 0.000 1.067 313 I HN 0.361 nan 8.210 nan 0.000 0.413 314 Q N 0.352 119.964 119.800 -0.315 0.000 2.079 314 Q HA -0.178 4.161 4.340 -0.002 0.000 0.200 314 Q C 2.124 178.027 176.000 -0.163 0.000 0.974 314 Q CA 2.156 57.839 55.803 -0.201 0.000 0.840 314 Q CB 0.064 28.716 28.738 -0.145 0.000 0.898 314 Q HN 0.437 nan 8.270 nan 0.000 0.430 315 T N 0.059 114.517 114.554 -0.159 0.000 2.674 315 T HA -0.176 4.173 4.350 -0.002 0.000 0.265 315 T C 1.992 176.628 174.700 -0.107 0.000 1.039 315 T CA 1.287 63.313 62.100 -0.123 0.000 1.150 315 T CB -0.592 68.225 68.868 -0.085 0.000 0.864 315 T HN 0.388 nan 8.240 nan 0.000 0.427 316 C N 1.049 120.282 119.300 -0.111 0.000 2.413 316 C HA -0.118 4.341 4.460 -0.002 0.000 0.277 316 C C 2.581 177.594 174.990 0.037 0.000 1.228 316 C CA 0.680 59.672 59.018 -0.043 0.000 1.731 316 C CB -1.331 26.367 27.740 -0.071 0.000 2.042 316 C HN 0.680 nan 8.230 nan 0.000 0.468 317 H N -0.739 118.262 119.070 -0.114 0.000 2.457 317 H HA -0.110 4.445 4.556 -0.002 0.000 0.294 317 H C 2.532 177.791 175.328 -0.116 0.000 1.064 317 H CA 0.795 56.775 56.048 -0.113 0.000 1.330 317 H CB -0.086 29.595 29.762 -0.135 0.000 1.395 317 H HN 0.417 nan 8.280 nan 0.000 0.541 318 R N 1.027 121.515 120.500 -0.019 0.000 2.115 318 R HA -0.069 4.270 4.340 -0.002 0.000 0.230 318 R C 1.005 177.191 176.300 -0.190 0.000 1.111 318 R CA 0.860 56.893 56.100 -0.110 0.000 0.976 318 R CB 0.262 30.466 30.300 -0.161 0.000 0.870 318 R HN 0.158 nan 8.270 nan 0.000 0.445 319 R N 0.571 120.953 120.500 -0.198 0.000 2.427 319 R HA 0.125 4.464 4.340 -0.002 0.000 0.262 319 R C -0.130 176.125 176.300 -0.075 0.000 0.943 319 R CA -0.187 55.761 56.100 -0.252 0.000 1.081 319 R CB -0.299 29.810 30.300 -0.319 0.000 1.166 319 R HN 0.190 nan 8.270 nan 0.000 0.534 320 N N -0.033 118.643 118.700 -0.040 0.000 2.754 320 N HA -0.172 4.567 4.740 -0.002 0.000 0.248 320 N C -0.803 174.714 175.510 0.011 0.000 1.093 320 N CA 1.081 54.122 53.050 -0.015 0.000 0.699 320 N CB -1.200 37.281 38.487 -0.009 0.000 1.016 320 N HN 0.440 nan 8.380 nan 0.000 0.552 321 A N -0.474 122.373 122.820 0.045 0.000 2.354 321 A HA 0.852 5.171 4.320 -0.002 0.000 0.321 321 A C -2.404 175.246 177.584 0.111 0.000 1.125 321 A CA -1.410 50.664 52.037 0.061 0.000 0.799 321 A CB 1.659 20.699 19.000 0.066 0.000 1.293 321 A HN -0.038 nan 8.150 nan 0.000 0.452 322 P HA 0.422 nan 4.420 nan 0.000 0.274 322 P C -0.747 176.607 177.300 0.090 0.000 1.237 322 P CA -0.029 63.133 63.100 0.103 0.000 0.793 322 P CB 1.132 32.857 31.700 0.042 0.000 0.977 323 A N 3.305 126.189 122.820 0.106 0.000 2.466 323 A HA 0.524 4.843 4.320 -0.002 0.000 0.291 323 A C -0.413 177.261 177.584 0.150 0.000 1.234 323 A CA -0.581 51.476 52.037 0.034 0.000 0.752 323 A CB 0.186 19.068 19.000 -0.197 0.000 1.153 323 A HN 0.297 nan 8.150 nan 0.000 0.458 324 I N 2.380 122.967 120.570 0.028 0.000 2.440 324 I HA 0.404 4.574 4.170 -0.002 0.000 0.294 324 I C 1.174 177.039 176.117 -0.420 0.000 0.995 324 I CA 0.038 61.273 61.300 -0.109 0.000 1.306 324 I CB 1.131 39.078 38.000 -0.087 0.000 1.407 324 I HN 0.658 nan 8.210 nan 0.000 0.501 346 K N 0.973 121.382 120.400 0.015 0.000 2.097 346 K HA 0.437 4.756 4.320 -0.002 0.000 0.206 346 K C 2.834 179.440 176.600 0.009 0.000 1.049 346 K CA 3.070 59.365 56.287 0.013 0.000 0.933 346 K CB -1.701 30.811 32.500 0.020 0.000 0.717 346 K HN 1.495 nan 8.250 nan 0.000 0.442 347 V N 1.262 121.183 119.914 0.012 0.000 2.255 347 V HA -0.255 3.864 4.120 -0.002 0.000 0.247 347 V C 2.525 178.626 176.094 0.013 0.000 1.051 347 V CA 2.822 65.129 62.300 0.011 0.000 1.018 347 V CB -0.693 31.140 31.823 0.017 0.000 0.641 347 V HN 0.572 nan 8.190 nan 0.000 0.445 348 R N -0.296 120.212 120.500 0.013 0.000 2.081 348 R HA -0.094 4.245 4.340 -0.002 0.000 0.235 348 R C 2.402 178.701 176.300 -0.000 0.000 1.131 348 R CA 1.585 57.691 56.100 0.010 0.000 0.960 348 R CB -0.344 29.964 30.300 0.013 0.000 0.856 348 R HN 0.651 nan 8.270 nan 0.000 0.436 349 A N 1.094 123.914 122.820 -0.001 0.000 1.902 349 A HA -0.192 4.127 4.320 -0.002 0.000 0.217 349 A C 1.654 179.229 177.584 -0.016 0.000 1.181 349 A CA 1.860 53.892 52.037 -0.009 0.000 0.623 349 A CB -0.462 18.536 19.000 -0.004 0.000 0.818 349 A HN 0.320 nan 8.150 nan 0.000 0.443 350 D N -0.097 120.297 120.400 -0.011 0.000 2.084 350 D HA -0.113 4.526 4.640 -0.002 0.000 0.194 350 D C 1.937 178.233 176.300 -0.007 0.000 0.990 350 D CA 1.222 55.212 54.000 -0.017 0.000 0.826 350 D CB -0.146 40.641 40.800 -0.021 0.000 0.971 350 D HN 0.192 nan 8.370 nan 0.000 0.453 351 K N 0.845 121.255 120.400 0.017 0.000 2.097 351 K HA -0.130 4.189 4.320 -0.002 0.000 0.206 351 K C 1.977 178.548 176.600 -0.048 0.000 1.049 351 K CA 0.605 56.935 56.287 0.072 0.000 0.933 351 K CB -0.470 32.113 32.500 0.138 0.000 0.717 351 K HN 0.398 nan 8.250 nan 0.000 0.442 352 E N 1.249 121.403 120.200 -0.076 0.000 2.077 352 E HA -0.211 4.138 4.350 -0.002 0.000 0.193 352 E C 2.221 178.748 176.600 -0.122 0.000 0.989 352 E CA 0.948 57.269 56.400 -0.131 0.000 0.800 352 E CB 0.037 29.693 29.700 -0.074 0.000 0.746 352 E HN 0.176 nan 8.360 nan 0.000 0.452 353 R N 0.430 120.889 120.500 -0.068 0.000 2.083 353 R HA -0.191 4.148 4.340 -0.002 0.000 0.237 353 R C 2.244 178.521 176.300 -0.039 0.000 1.137 353 R CA 2.059 58.127 56.100 -0.052 0.000 0.951 353 R CB -0.065 30.214 30.300 -0.035 0.000 0.851 353 R HN 0.268 nan 8.270 nan 0.000 0.434 354 E N -0.439 119.762 120.200 0.002 0.000 2.058 354 E HA -0.212 4.138 4.350 -0.002 0.000 0.194 354 E C 1.952 178.593 176.600 0.069 0.000 0.997 354 E CA 1.320 57.802 56.400 0.136 0.000 0.801 354 E CB -0.141 29.677 29.700 0.197 0.000 0.746 354 E HN 0.456 nan 8.360 nan 0.000 0.450 355 A N 1.050 123.737 122.820 -0.222 0.000 1.902 355 A HA -0.164 4.155 4.320 -0.002 0.000 0.217 355 A C 2.193 179.653 177.584 -0.206 0.000 1.181 355 A CA 1.102 52.876 52.037 -0.440 0.000 0.623 355 A CB -0.650 17.730 19.000 -1.032 0.000 0.818 355 A HN 0.139 nan 8.150 nan 0.000 0.443 356 L N -0.646 120.478 121.223 -0.166 0.000 2.083 356 L HA -0.176 4.163 4.340 -0.002 0.000 0.209 356 L C 1.952 178.768 176.870 -0.091 0.000 1.083 356 L CA 1.324 56.099 54.840 -0.108 0.000 0.752 356 L CB -0.591 41.417 42.059 -0.085 0.000 0.899 356 L HN 0.282 nan 8.230 nan 0.000 0.433 357 D N -0.254 120.091 120.400 -0.092 0.000 2.219 357 D HA -0.069 4.570 4.640 -0.002 0.000 0.205 357 D C 1.670 177.869 176.300 -0.168 0.000 0.970 357 D CA 1.484 55.412 54.000 -0.121 0.000 0.851 357 D CB 0.255 40.979 40.800 -0.126 0.000 0.943 357 D HN 0.445 nan 8.370 nan 0.000 0.488 358 G N -0.991 107.726 108.800 -0.139 0.000 2.227 358 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.168 358 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.168 358 G C 0.126 174.996 174.900 -0.051 0.000 1.006 358 G CA -0.518 44.517 45.100 -0.110 0.000 0.684 358 G HN 0.278 nan 8.290 nan 0.000 0.489 359 H N 1.284 120.359 119.070 0.008 0.000 2.972 359 H HA 0.106 4.661 4.556 -0.002 0.000 0.343 359 H C 0.619 176.066 175.328 0.200 0.000 1.054 359 H CA 0.864 56.947 56.048 0.058 0.000 1.412 359 H CB 0.864 30.666 29.762 0.067 0.000 1.385 359 H HN 0.209 nan 8.280 nan 0.000 0.600 360 D N 1.501 122.067 120.400 0.276 0.000 2.340 360 D HA 0.130 4.769 4.640 -0.002 0.000 0.220 360 D C 1.144 177.485 176.300 0.068 0.000 1.039 360 D CA 0.471 54.584 54.000 0.187 0.000 0.866 360 D CB 0.908 41.787 40.800 0.132 0.000 0.913 360 D HN 0.710 nan 8.370 nan 0.000 0.523 361 G N -0.996 107.770 108.800 -0.056 0.000 2.349 361 G HA2 0.361 4.320 3.960 -0.002 0.000 0.294 361 G HA3 0.361 4.320 3.960 -0.002 0.000 0.294 361 G C -1.460 173.104 174.900 -0.560 0.000 1.380 361 G CA -0.396 44.355 45.100 -0.583 0.000 0.811 361 G HN -0.056 nan 8.290 nan 0.000 0.519 362 T N -1.395 112.819 114.554 -0.566 0.000 2.792 362 T HA 0.609 4.958 4.350 -0.002 0.000 0.303 362 T C -1.975 172.748 174.700 0.039 0.000 1.310 362 T CA -0.392 61.545 62.100 -0.272 0.000 1.007 362 T CB 1.341 70.079 68.868 -0.217 0.000 1.335 362 T HN 0.535 nan 8.240 nan 0.000 0.504 363 W N 2.349 123.533 121.300 -0.193 0.000 2.570 363 W HA 0.685 5.344 4.660 -0.002 0.000 0.337 363 W C -0.391 176.067 176.519 -0.102 0.000 1.067 363 W CA -0.887 56.373 57.345 -0.141 0.000 1.229 363 W CB 1.326 30.700 29.460 -0.143 0.000 1.355 363 W HN 0.562 nan 8.180 nan 0.000 0.555 364 V N 0.325 120.240 119.914 0.001 0.000 3.040 364 V HA 0.908 5.027 4.120 -0.002 0.000 0.312 364 V C -0.239 175.799 176.094 -0.094 0.000 1.115 364 V CA -0.915 61.375 62.300 -0.016 0.000 0.998 364 V CB 1.532 33.346 31.823 -0.016 0.000 1.042 364 V HN 0.674 nan 8.190 nan 0.000 0.433 365 A N 1.004 123.808 122.820 -0.026 0.000 2.431 365 A HA 0.535 4.854 4.320 -0.002 0.000 0.239 365 A C 0.283 177.878 177.584 0.018 0.000 1.230 365 A CA 0.448 52.461 52.037 -0.039 0.000 0.928 365 A CB -0.483 18.527 19.000 0.016 0.000 1.006 365 A HN 1.236 nan 8.150 nan 0.000 0.520 366 H N -1.518 117.502 119.070 -0.083 0.000 2.865 366 H HA 0.430 4.985 4.556 -0.002 0.000 0.362 366 H C -2.399 172.872 175.328 -0.094 0.000 1.114 366 H CA -1.305 54.693 56.048 -0.083 0.000 1.208 366 H CB 2.193 31.924 29.762 -0.051 0.000 1.727 366 H HN -0.105 nan 8.280 nan 0.000 0.534 367 P HA -0.164 nan 4.420 nan 0.000 0.218 367 P C 1.351 178.595 177.300 -0.093 0.000 1.154 367 P CA 2.262 65.177 63.100 -0.308 0.000 0.872 367 P CB 0.058 31.497 31.700 -0.434 0.000 0.790 368 G N -1.274 107.582 108.800 0.093 0.000 2.509 368 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.218 368 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.218 368 G C 1.238 176.193 174.900 0.093 0.000 1.124 368 G CA 0.208 45.397 45.100 0.148 0.000 0.776 368 G HN 0.233 nan 8.290 nan 0.000 0.547 369 L N 0.504 121.781 121.223 0.090 0.000 2.607 369 L HA 0.320 4.659 4.340 -0.002 0.000 0.228 369 L C 2.484 179.365 176.870 0.017 0.000 1.123 369 L CA 0.340 55.209 54.840 0.049 0.000 0.890 369 L CB 0.436 42.528 42.059 0.055 0.000 1.103 369 L HN 0.005 nan 8.230 nan 0.000 0.468 370 V N 1.018 120.930 119.914 -0.003 0.000 2.282 370 V HA -0.220 3.899 4.120 -0.002 0.000 0.249 370 V C -0.178 175.910 176.094 -0.010 0.000 1.057 370 V CA 2.226 64.514 62.300 -0.021 0.000 1.032 370 V CB -1.571 30.230 31.823 -0.037 0.000 0.645 370 V HN 0.365 nan 8.190 nan 0.000 0.447 371 P HA -0.121 nan 4.420 nan 0.000 0.215 371 P C 1.899 179.200 177.300 0.002 0.000 1.153 371 P CA 1.409 64.512 63.100 0.005 0.000 0.853 371 P CB -0.150 31.558 31.700 0.014 0.000 0.788 372 V N 0.469 120.388 119.914 0.008 0.000 2.233 372 V HA -0.307 3.812 4.120 -0.002 0.000 0.247 372 V C 2.525 178.625 176.094 0.011 0.000 1.050 372 V CA 2.538 64.844 62.300 0.010 0.000 1.010 372 V CB -1.916 29.919 31.823 0.019 0.000 0.637 372 V HN 0.119 nan 8.190 nan 0.000 0.444 373 A N -0.750 122.084 122.820 0.023 0.000 1.877 373 A HA -0.271 4.048 4.320 -0.002 0.000 0.216 373 A C 2.180 179.802 177.584 0.065 0.000 1.186 373 A CA 2.476 54.548 52.037 0.058 0.000 0.620 373 A CB -0.607 18.401 19.000 0.012 0.000 0.822 373 A HN 0.460 nan 8.150 nan 0.000 0.443 374 M N 0.167 119.765 119.600 -0.004 0.000 2.080 374 M HA -0.168 4.311 4.480 -0.002 0.000 0.260 374 M C 1.809 178.073 176.300 -0.060 0.000 1.068 374 M CA 2.041 57.327 55.300 -0.024 0.000 1.109 374 M CB -0.698 31.887 32.600 -0.024 0.000 1.342 374 M HN 0.562 nan 8.290 nan 0.000 0.405 375 E N -1.210 118.923 120.200 -0.112 0.000 2.058 375 E HA -0.205 4.144 4.350 -0.002 0.000 0.194 375 E C 1.925 178.139 176.600 -0.643 0.000 0.997 375 E CA 1.823 58.019 56.400 -0.341 0.000 0.801 375 E CB -0.338 29.248 29.700 -0.191 0.000 0.746 375 E HN 0.367 nan 8.360 nan 0.000 0.450 376 V N 0.550 120.294 119.914 -0.283 0.000 2.295 376 V HA -0.248 3.871 4.120 -0.002 0.000 0.246 376 V C 1.990 177.939 176.094 -0.241 0.000 1.049 376 V CA 1.775 63.930 62.300 -0.241 0.000 1.024 376 V CB -0.540 31.226 31.823 -0.095 0.000 0.648 376 V HN 0.202 nan 8.190 nan 0.000 0.447 377 F N 0.695 120.552 119.950 -0.156 0.000 2.186 377 F HA -0.105 4.421 4.527 -0.001 0.000 0.299 377 F C 2.393 178.149 175.800 -0.074 0.000 1.090 377 F CA 1.457 59.401 58.000 -0.094 0.000 1.307 377 F CB -0.439 38.508 39.000 -0.089 0.000 1.019 377 F HN 0.190 nan 8.300 nan 0.000 0.489 378 N N -0.550 118.170 118.700 0.033 0.000 2.223 378 N HA -0.154 4.585 4.740 -0.002 0.000 0.185 378 N C 1.509 177.100 175.510 0.135 0.000 1.016 378 N CA 1.354 54.441 53.050 0.062 0.000 0.863 378 N CB -0.632 37.890 38.487 0.058 0.000 0.983 378 N HN 0.498 nan 8.380 nan 0.000 0.429 379 H N -0.260 118.820 119.070 0.016 0.000 2.343 379 H HA 0.159 4.714 4.556 -0.001 0.000 0.303 379 H C 1.757 177.068 175.328 -0.028 0.000 1.068 379 H CA 0.712 56.756 56.048 -0.007 0.000 1.359 379 H CB 0.245 29.997 29.762 -0.017 0.000 1.402 379 H HN 0.107 nan 8.280 nan 0.000 0.515 380 I N -0.016 120.566 120.570 0.019 0.000 2.703 380 I HA -0.054 4.116 4.170 -0.002 0.000 0.259 380 I C 1.053 177.155 176.117 -0.026 0.000 1.151 380 I CA 0.576 61.847 61.300 -0.049 0.000 1.470 380 I CB 0.423 38.318 38.000 -0.175 0.000 1.112 380 I HN 0.174 nan 8.210 nan 0.000 0.437 381 M N 1.412 121.009 119.600 -0.004 0.000 2.182 381 M HA 0.226 4.705 4.480 -0.002 0.000 0.285 381 M C 0.330 176.701 176.300 0.118 0.000 0.956 381 M CA -0.152 55.195 55.300 0.077 0.000 0.878 381 M CB 0.370 33.051 32.600 0.135 0.000 1.373 381 M HN -0.038 nan 8.290 nan 0.000 0.393 382 K N 0.210 120.675 120.400 0.108 0.000 2.296 382 K HA 0.031 4.351 4.320 -0.002 0.000 0.200 382 K C 0.800 177.466 176.600 0.110 0.000 1.048 382 K CA 0.861 57.210 56.287 0.104 0.000 0.966 382 K CB -0.051 32.499 32.500 0.083 0.000 0.754 382 K HN 0.666 nan 8.250 nan 0.000 0.466 383 T N -0.567 114.070 114.554 0.138 0.000 2.860 383 T HA 0.088 4.437 4.350 -0.002 0.000 0.299 383 T C -2.044 172.743 174.700 0.146 0.000 1.045 383 T CA -1.582 60.611 62.100 0.155 0.000 1.071 383 T CB 1.033 70.062 68.868 0.269 0.000 0.985 383 T HN -0.201 nan 8.240 nan 0.000 0.537 384 P HA -0.012 nan 4.420 nan 0.000 0.216 384 P C 0.095 177.460 177.300 0.110 0.000 1.150 384 P CA 1.180 64.350 63.100 0.117 0.000 0.837 384 P CB -0.003 31.753 31.700 0.094 0.000 0.786 385 N N -2.417 116.346 118.700 0.105 0.000 3.204 385 N HA 0.214 4.953 4.740 -0.002 0.000 0.285 385 N C -0.937 174.563 175.510 -0.016 0.000 1.536 385 N CA -0.866 52.214 53.050 0.049 0.000 0.832 385 N CB 0.214 38.706 38.487 0.009 0.000 1.645 385 N HN -0.149 nan 8.380 nan 0.000 0.586 386 Q N -0.590 119.065 119.800 -0.243 0.000 2.318 386 Q HA 0.451 4.790 4.340 -0.002 0.000 0.371 386 Q C -0.255 175.090 176.000 -1.091 0.000 0.896 386 Q CA -0.299 55.024 55.803 -0.801 0.000 1.134 386 Q CB -0.171 28.188 28.738 -0.631 0.000 1.329 386 Q HN 0.627 nan 8.270 nan 0.000 0.413 387 I N 0.520 120.592 120.570 -0.830 0.000 2.614 387 I HA -0.198 3.971 4.170 -0.002 0.000 0.258 387 I C 1.577 177.284 176.117 -0.683 0.000 1.189 387 I CA 1.097 61.756 61.300 -1.068 0.000 1.462 387 I CB -0.108 37.638 38.000 -0.424 0.000 1.092 387 I HN 0.431 nan 8.210 nan 0.000 0.442 388 F N 0.759 120.538 119.950 -0.284 0.000 2.546 388 F HA 0.061 4.587 4.527 -0.002 0.000 0.298 388 F C 1.098 176.841 175.800 -0.095 0.000 1.120 388 F CA -0.036 57.877 58.000 -0.144 0.000 1.456 388 F CB -0.909 38.036 39.000 -0.092 0.000 1.088 388 F HN -0.191 nan 8.300 nan 0.000 0.572 389 R N 2.304 122.504 120.500 -0.500 0.000 2.325 389 R HA 0.118 4.457 4.340 -0.002 0.000 0.323 389 R C 0.552 176.873 176.300 0.034 0.000 1.177 389 R CA -0.331 55.668 56.100 -0.169 0.000 1.018 389 R CB 0.451 30.595 30.300 -0.260 0.000 1.070 389 R HN 0.099 nan 8.270 nan 0.000 0.495 390 K N 1.716 122.133 120.400 0.030 0.000 2.365 390 K HA 0.026 4.346 4.320 -0.002 0.000 0.197 390 K C 0.336 176.928 176.600 -0.013 0.000 1.042 390 K CA 0.152 56.455 56.287 0.026 0.000 0.987 390 K CB 0.238 32.744 32.500 0.010 0.000 0.779 390 K HN 0.365 nan 8.250 nan 0.000 0.484 391 R N 1.653 122.141 120.500 -0.020 0.000 3.264 391 R HA -0.146 4.193 4.340 -0.002 0.000 0.251 391 R C 0.958 177.238 176.300 -0.032 0.000 0.971 391 R CA 0.907 56.981 56.100 -0.042 0.000 0.658 391 R CB -2.172 28.077 30.300 -0.085 0.000 1.095 391 R HN 0.584 nan 8.270 nan 0.000 0.443 392 E N 0.886 121.075 120.200 -0.018 0.000 2.204 392 E HA -0.201 4.148 4.350 -0.002 0.000 0.194 392 E C 1.195 177.790 176.600 -0.010 0.000 0.989 392 E CA 1.534 57.925 56.400 -0.015 0.000 0.824 392 E CB 0.038 29.731 29.700 -0.011 0.000 0.756 392 E HN 0.604 nan 8.360 nan 0.000 0.477 393 E N 2.517 122.713 120.200 -0.007 0.000 2.427 393 E HA -0.070 4.279 4.350 -0.002 0.000 0.196 393 E C 1.449 178.057 176.600 0.014 0.000 1.028 393 E CA 0.129 56.529 56.400 -0.001 0.000 0.864 393 E CB -0.672 29.026 29.700 -0.003 0.000 0.813 393 E HN 0.569 nan 8.360 nan 0.000 0.514 394 I N -1.313 119.265 120.570 0.013 0.000 2.499 394 I HA 0.396 4.565 4.170 -0.002 0.000 0.296 394 I C -0.039 176.140 176.117 0.103 0.000 0.992 394 I CA -0.916 60.405 61.300 0.035 0.000 1.297 394 I CB 1.317 39.315 38.000 -0.004 0.000 1.410 394 I HN -0.113 nan 8.210 nan 0.000 0.507 395 H N 5.101 124.167 119.070 -0.007 0.000 2.906 395 H HA 0.497 5.052 4.556 -0.002 0.000 0.324 395 H C -1.796 173.551 175.328 0.033 0.000 0.973 395 H CA -0.704 55.350 56.048 0.009 0.000 1.321 395 H CB 2.004 31.778 29.762 0.019 0.000 1.535 395 H HN 0.570 nan 8.280 nan 0.000 0.518 396 V N 5.825 125.616 119.914 -0.205 0.000 2.350 396 V HA 0.126 4.245 4.120 -0.002 0.000 0.276 396 V C 0.817 176.790 176.094 -0.202 0.000 1.028 396 V CA -0.460 61.741 62.300 -0.165 0.000 0.860 396 V CB 1.274 33.072 31.823 -0.041 0.000 0.990 396 V HN 0.863 nan 8.190 nan 0.000 0.453 397 T N 0.859 115.304 114.554 -0.182 0.000 2.874 397 T HA 0.347 4.696 4.350 -0.002 0.000 0.281 397 T C 1.004 175.708 174.700 0.007 0.000 0.994 397 T CA -0.552 61.518 62.100 -0.051 0.000 1.015 397 T CB 1.382 70.211 68.868 -0.064 0.000 1.028 397 T HN 0.639 nan 8.240 nan 0.000 0.523 398 E N 0.233 120.365 120.200 -0.112 0.000 2.085 398 E HA -0.165 4.184 4.350 -0.002 0.000 0.194 398 E C 2.102 178.726 176.600 0.040 0.000 0.994 398 E CA 0.959 57.294 56.400 -0.109 0.000 0.801 398 E CB -0.038 29.561 29.700 -0.168 0.000 0.743 398 E HN 0.463 nan 8.360 nan 0.000 0.453 399 K N 0.904 121.292 120.400 -0.019 0.000 2.152 399 K HA -0.152 4.167 4.320 -0.002 0.000 0.206 399 K C 1.556 178.173 176.600 0.028 0.000 1.048 399 K CA 1.028 57.300 56.287 -0.027 0.000 0.933 399 K CB -0.236 32.232 32.500 -0.054 0.000 0.721 399 K HN 0.172 nan 8.250 nan 0.000 0.447 400 D N 0.802 121.226 120.400 0.039 0.000 2.144 400 D HA -0.095 4.544 4.640 -0.002 0.000 0.200 400 D C 2.027 178.419 176.300 0.154 0.000 0.978 400 D CA 0.690 54.732 54.000 0.070 0.000 0.833 400 D CB -0.117 40.706 40.800 0.037 0.000 0.961 400 D HN 0.136 nan 8.370 nan 0.000 0.470 401 L N 0.023 121.342 121.223 0.160 0.000 2.201 401 L HA -0.078 4.261 4.340 -0.002 0.000 0.212 401 L C 1.987 179.155 176.870 0.497 0.000 1.105 401 L CA 0.647 55.645 54.840 0.264 0.000 0.775 401 L CB -0.101 41.962 42.059 0.006 0.000 0.913 401 L HN 0.008 nan 8.230 nan 0.000 0.440 402 L N -1.206 120.251 121.223 0.391 0.000 2.640 402 L HA 0.126 4.465 4.340 -0.002 0.000 0.230 402 L C 0.949 177.987 176.870 0.279 0.000 1.123 402 L CA -0.199 54.900 54.840 0.430 0.000 0.900 402 L CB 0.033 42.148 42.059 0.093 0.000 1.146 402 L HN 0.127 nan 8.230 nan 0.000 0.484 403 E N 1.731 122.027 120.200 0.159 0.000 2.351 403 E HA 0.112 4.461 4.350 -0.002 0.000 0.266 403 E C -0.465 176.056 176.600 -0.132 0.000 1.031 403 E CA -0.366 56.031 56.400 -0.004 0.000 0.911 403 E CB 0.917 30.646 29.700 0.048 0.000 0.986 403 E HN -0.080 nan 8.360 nan 0.000 0.446 404 V N 7.906 127.668 119.914 -0.252 0.000 2.572 404 V HA 0.123 4.242 4.120 -0.002 0.000 0.291 404 V C -1.687 174.290 176.094 -0.196 0.000 1.039 404 V CA -1.174 60.946 62.300 -0.300 0.000 1.055 404 V CB 0.608 32.191 31.823 -0.400 0.000 0.969 404 V HN 0.755 nan 8.190 nan 0.000 0.482 405 P HA 0.242 nan 4.420 nan 0.000 0.275 405 P C -0.838 176.475 177.300 0.022 0.000 1.227 405 P CA -0.111 62.994 63.100 0.007 0.000 0.781 405 P CB 1.156 32.944 31.700 0.145 0.000 0.906 406 V N 2.610 122.547 119.914 0.038 0.000 2.427 406 V HA 0.788 4.907 4.120 -0.002 0.000 0.286 406 V C 0.924 177.048 176.094 0.050 0.000 1.034 406 V CA 0.233 62.550 62.300 0.028 0.000 0.893 406 V CB 0.916 32.745 31.823 0.009 0.000 0.982 406 V HN 1.017 nan 8.190 nan 0.000 0.452 407 G N 3.207 112.034 108.800 0.045 0.000 2.588 407 G HA2 0.649 4.608 3.960 -0.002 0.000 0.281 407 G HA3 0.649 4.608 3.960 -0.002 0.000 0.281 407 G C -0.584 174.326 174.900 0.016 0.000 1.223 407 G CA 0.203 45.330 45.100 0.045 0.000 0.871 407 G HN 0.772 nan 8.290 nan 0.000 0.492 408 T N -1.434 113.125 114.554 0.010 0.000 2.932 408 T HA 0.767 5.116 4.350 -0.002 0.000 0.289 408 T C -0.402 174.249 174.700 -0.081 0.000 1.039 408 T CA -0.611 61.465 62.100 -0.040 0.000 1.024 408 T CB 1.869 70.716 68.868 -0.035 0.000 1.090 408 T HN 0.495 nan 8.240 nan 0.000 0.496 409 I N 1.156 121.601 120.570 -0.209 0.000 2.377 409 I HA 0.508 4.677 4.170 -0.002 0.000 0.293 409 I C 0.176 176.108 176.117 -0.308 0.000 0.987 409 I CA -0.585 60.457 61.300 -0.430 0.000 1.185 409 I CB 2.099 39.567 38.000 -0.887 0.000 1.341 409 I HN 0.654 nan 8.210 nan 0.000 0.455 410 T N 3.516 117.928 114.554 -0.237 0.000 2.906 410 T HA 0.142 4.491 4.350 -0.002 0.000 0.295 410 T C 0.776 175.440 174.700 -0.060 0.000 1.061 410 T CA -0.474 61.565 62.100 -0.102 0.000 1.000 410 T CB 2.271 71.122 68.868 -0.028 0.000 1.103 410 T HN 0.747 nan 8.240 nan 0.000 0.486 411 E N 1.225 121.407 120.200 -0.030 0.000 2.085 411 E HA -0.221 4.128 4.350 -0.002 0.000 0.194 411 E C 1.154 177.778 176.600 0.040 0.000 0.994 411 E CA 1.829 58.233 56.400 0.005 0.000 0.801 411 E CB 0.185 29.889 29.700 0.006 0.000 0.743 411 E HN 0.566 nan 8.360 nan 0.000 0.453 412 E N -0.278 119.946 120.200 0.040 0.000 2.051 412 E HA -0.125 4.224 4.350 -0.002 0.000 0.192 412 E C 1.950 178.605 176.600 0.091 0.000 0.991 412 E CA 1.250 57.684 56.400 0.057 0.000 0.799 412 E CB -0.695 29.035 29.700 0.050 0.000 0.748 412 E HN 0.430 nan 8.360 nan 0.000 0.449 413 G N 0.648 109.516 108.800 0.113 0.000 2.432 413 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.219 413 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.219 413 G C 1.496 176.571 174.900 0.292 0.000 1.135 413 G CA 0.867 46.085 45.100 0.197 0.000 0.767 413 G HN 0.221 nan 8.290 nan 0.000 0.550 414 L N 0.446 121.834 121.223 0.275 0.000 2.072 414 L HA 0.192 4.532 4.340 -0.002 0.000 0.205 414 L C 2.806 179.803 176.870 0.213 0.000 1.079 414 L CA 1.432 56.486 54.840 0.356 0.000 0.752 414 L CB -0.608 41.614 42.059 0.272 0.000 0.906 414 L HN 0.114 nan 8.230 nan 0.000 0.436 415 R N -1.246 119.334 120.500 0.133 0.000 2.105 415 R HA -0.132 4.207 4.340 -0.002 0.000 0.239 415 R C 2.199 178.534 176.300 0.059 0.000 1.135 415 R CA 1.644 57.793 56.100 0.082 0.000 0.967 415 R CB -0.413 29.920 30.300 0.056 0.000 0.861 415 R HN 0.358 nan 8.270 nan 0.000 0.442 416 M N 0.698 120.342 119.600 0.073 0.000 2.132 416 M HA -0.118 4.361 4.480 -0.002 0.000 0.263 416 M C 1.566 177.877 176.300 0.018 0.000 1.065 416 M CA 1.444 56.771 55.300 0.045 0.000 1.122 416 M CB -0.804 31.831 32.600 0.057 0.000 1.365 416 M HN 0.091 nan 8.290 nan 0.000 0.411 417 N N 0.757 119.489 118.700 0.054 0.000 2.104 417 N HA -0.105 4.634 4.740 -0.002 0.000 0.190 417 N C 1.740 177.250 175.510 -0.000 0.000 1.024 417 N CA 1.341 54.410 53.050 0.031 0.000 0.853 417 N CB -0.380 38.147 38.487 0.066 0.000 1.008 417 N HN 0.400 nan 8.380 nan 0.000 0.424 418 I N -0.345 120.222 120.570 -0.005 0.000 2.233 418 I HA -0.175 3.994 4.170 -0.002 0.000 0.243 418 I C 2.409 178.297 176.117 -0.381 0.000 1.093 418 I CA 0.741 61.894 61.300 -0.245 0.000 1.380 418 I CB -0.272 37.708 38.000 -0.033 0.000 1.067 418 I HN 0.069 nan 8.210 nan 0.000 0.413 419 S N 0.366 115.971 115.700 -0.157 0.000 2.368 419 S HA -0.120 4.349 4.470 -0.002 0.000 0.224 419 S C 2.055 176.603 174.600 -0.086 0.000 1.029 419 S CA 1.296 59.433 58.200 -0.104 0.000 0.988 419 S CB -0.138 63.041 63.200 -0.034 0.000 0.838 419 S HN 0.207 nan 8.310 nan 0.000 0.462 420 V N 1.347 121.218 119.914 -0.072 0.000 2.379 420 V HA 0.015 4.134 4.120 -0.002 0.000 0.245 420 V C 2.706 178.781 176.094 -0.031 0.000 1.044 420 V CA 1.635 63.922 62.300 -0.021 0.000 1.036 420 V CB -1.452 30.358 31.823 -0.022 0.000 0.664 420 V HN 0.606 nan 8.190 nan 0.000 0.453 421 G N 0.135 108.854 108.800 -0.135 0.000 2.491 421 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.218 421 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.218 421 G C 1.585 176.397 174.900 -0.146 0.000 1.180 421 G CA 1.308 46.339 45.100 -0.116 0.000 0.774 421 G HN 0.479 nan 8.290 nan 0.000 0.562 422 I N 0.207 120.564 120.570 -0.355 0.000 2.233 422 I HA -0.166 4.003 4.170 -0.002 0.000 0.243 422 I C 3.091 179.205 176.117 -0.005 0.000 1.093 422 I CA 1.093 62.290 61.300 -0.173 0.000 1.380 422 I CB -0.281 37.613 38.000 -0.177 0.000 1.067 422 I HN 0.237 nan 8.210 nan 0.000 0.413 423 Q N -0.296 119.555 119.800 0.085 0.000 2.084 423 Q HA -0.271 4.068 4.340 -0.002 0.000 0.202 423 Q C 2.172 178.185 176.000 0.022 0.000 0.978 423 Q CA 1.963 57.863 55.803 0.161 0.000 0.844 423 Q CB -0.386 28.473 28.738 0.202 0.000 0.898 423 Q HN 0.538 nan 8.270 nan 0.000 0.426 424 Y N 1.214 121.504 120.300 -0.016 0.000 2.145 424 Y HA -0.192 4.357 4.550 -0.001 0.000 0.286 424 Y C 1.916 177.822 175.900 0.009 0.000 1.145 424 Y CA 1.354 59.455 58.100 0.002 0.000 1.148 424 Y CB -0.100 38.352 38.460 -0.012 0.000 0.981 424 Y HN -0.010 nan 8.280 nan 0.000 0.507 425 I N 0.039 120.619 120.570 0.016 0.000 2.286 425 I HA -0.307 3.862 4.170 -0.002 0.000 0.248 425 I C 2.635 178.688 176.117 -0.107 0.000 1.115 425 I CA 1.102 62.386 61.300 -0.027 0.000 1.392 425 I CB -0.696 37.323 38.000 0.031 0.000 1.065 425 I HN 0.333 nan 8.210 nan 0.000 0.418 426 A N -0.124 122.523 122.820 -0.287 0.000 1.877 426 A HA -0.245 4.074 4.320 -0.002 0.000 0.216 426 A C 2.497 179.865 177.584 -0.360 0.000 1.186 426 A CA 2.180 53.910 52.037 -0.512 0.000 0.620 426 A CB -0.871 17.293 19.000 -1.393 0.000 0.822 426 A HN 0.388 nan 8.150 nan 0.000 0.443 427 S N -1.764 113.736 115.700 -0.334 0.000 2.359 427 S HA -0.253 4.216 4.470 -0.002 0.000 0.224 427 S C 1.712 176.196 174.600 -0.193 0.000 1.035 427 S CA 1.838 59.889 58.200 -0.249 0.000 1.018 427 S CB -0.548 62.492 63.200 -0.267 0.000 0.876 427 S HN 0.730 nan 8.310 nan 0.000 0.448 428 W N 1.499 122.504 121.300 -0.491 0.000 2.338 428 W HA -0.036 4.623 4.660 -0.002 0.000 0.304 428 W C 1.848 178.281 176.519 -0.142 0.000 1.212 428 W CA 1.383 58.532 57.345 -0.326 0.000 1.264 428 W CB -0.305 28.952 29.460 -0.339 0.000 1.142 428 W HN 0.303 nan 8.180 nan 0.000 0.512 429 L N 0.011 121.343 121.223 0.182 0.000 2.291 429 L HA -0.148 4.191 4.340 -0.002 0.000 0.214 429 L C 2.210 179.041 176.870 -0.064 0.000 1.120 429 L CA 1.119 56.006 54.840 0.078 0.000 0.799 429 L CB -0.688 41.441 42.059 0.118 0.000 0.925 429 L HN -0.175 nan 8.230 nan 0.000 0.446 430 S N -0.394 115.251 115.700 -0.091 0.000 2.603 430 S HA 0.139 4.608 4.470 -0.002 0.000 0.220 430 S C 1.458 175.994 174.600 -0.107 0.000 0.967 430 S CA 0.708 58.854 58.200 -0.091 0.000 0.920 430 S CB 0.284 63.429 63.200 -0.091 0.000 0.773 430 S HN 0.647 nan 8.310 nan 0.000 0.529 431 G N 0.648 109.346 108.800 -0.170 0.000 2.157 431 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.239 431 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.239 431 G C 0.103 174.908 174.900 -0.158 0.000 0.982 431 G CA -0.016 44.972 45.100 -0.187 0.000 0.650 431 G HN 0.843 nan 8.290 nan 0.000 0.527 432 R N 0.241 120.654 120.500 -0.144 0.000 2.312 432 R HA 0.800 5.139 4.340 -0.002 0.000 0.310 432 R C 1.137 177.384 176.300 -0.087 0.000 1.064 432 R CA 0.669 56.712 56.100 -0.095 0.000 0.983 432 R CB 0.687 30.945 30.300 -0.070 0.000 1.139 432 R HN 1.341 nan 8.270 nan 0.000 0.536 433 G N -0.085 108.707 108.800 -0.014 0.000 2.939 433 G HA2 0.373 4.332 3.960 -0.002 0.000 0.210 433 G HA3 0.373 4.332 3.960 -0.002 0.000 0.210 433 G C 0.633 175.719 174.900 0.309 0.000 1.160 433 G CA 0.947 46.155 45.100 0.179 0.000 0.770 433 G HN 1.098 nan 8.290 nan 0.000 0.543 434 A N 0.543 123.463 122.820 0.165 0.000 2.316 434 A HA 0.791 5.110 4.320 -0.002 0.000 0.324 434 A C 0.005 177.678 177.584 0.147 0.000 1.375 434 A CA -0.124 52.023 52.037 0.184 0.000 0.882 434 A CB 0.634 19.692 19.000 0.096 0.000 1.152 434 A HN 0.680 nan 8.150 nan 0.000 0.512 435 A N 4.629 127.585 122.820 0.226 0.000 2.287 435 A HA 0.794 5.113 4.320 -0.002 0.000 0.317 435 A C -2.877 174.797 177.584 0.150 0.000 1.220 435 A CA -1.802 50.329 52.037 0.156 0.000 0.835 435 A CB 0.732 19.827 19.000 0.159 0.000 1.180 435 A HN 0.503 nan 8.150 nan 0.000 0.500 436 P HA 0.403 nan 4.420 nan 0.000 0.284 436 P C -0.912 176.434 177.300 0.077 0.000 1.343 436 P CA 0.332 63.477 63.100 0.074 0.000 0.826 436 P CB 0.234 31.959 31.700 0.042 0.000 0.956 437 I N 1.984 122.608 120.570 0.089 0.000 2.418 437 I HA 0.362 4.531 4.170 -0.002 0.000 0.287 437 I C 0.820 176.976 176.117 0.066 0.000 1.008 437 I CA -0.975 60.375 61.300 0.085 0.000 1.104 437 I CB 0.966 39.032 38.000 0.109 0.000 1.264 437 I HN 0.419 nan 8.210 nan 0.000 0.438 438 Y N 5.240 125.569 120.300 0.049 0.000 3.168 438 Y HA -0.302 4.247 4.550 -0.002 0.000 0.207 438 Y C 0.951 176.870 175.900 0.033 0.000 1.280 438 Y CA 0.460 58.584 58.100 0.039 0.000 1.235 438 Y CB -2.831 35.657 38.460 0.046 0.000 1.370 438 Y HN 1.111 nan 8.280 nan 0.000 0.537 439 N N -1.484 117.227 118.700 0.019 0.000 2.745 439 N HA -0.154 4.585 4.740 -0.002 0.000 0.271 439 N C -0.483 175.031 175.510 0.008 0.000 0.960 439 N CA 1.673 54.721 53.050 -0.003 0.000 0.833 439 N CB -1.376 37.088 38.487 -0.037 0.000 0.919 439 N HN 1.176 nan 8.380 nan 0.000 0.566 440 L N -0.448 120.802 121.223 0.044 0.000 2.346 440 L HA 0.488 4.827 4.340 -0.002 0.000 0.274 440 L C 0.552 177.471 176.870 0.082 0.000 1.007 440 L CA -1.234 53.647 54.840 0.068 0.000 0.818 440 L CB 1.463 43.589 42.059 0.112 0.000 1.284 440 L HN 0.135 nan 8.230 nan 0.000 0.424 441 M N 3.449 123.101 119.600 0.087 0.000 2.108 441 M HA 0.227 4.706 4.480 -0.002 0.000 0.347 441 M C -0.549 175.837 176.300 0.143 0.000 1.326 441 M CA 0.195 55.561 55.300 0.110 0.000 1.126 441 M CB 0.092 32.757 32.600 0.107 0.000 1.606 441 M HN 0.307 nan 8.290 nan 0.000 0.462 442 E N 3.020 123.325 120.200 0.175 0.000 2.214 442 E HA 0.457 4.806 4.350 -0.002 0.000 0.274 442 E C -0.912 175.802 176.600 0.189 0.000 0.977 442 E CA -0.440 56.062 56.400 0.169 0.000 0.827 442 E CB 1.445 31.244 29.700 0.166 0.000 1.130 442 E HN 0.747 nan 8.360 nan 0.000 0.394 443 D N -0.704 119.682 120.400 -0.023 0.000 2.714 443 D HA 0.390 5.030 4.640 -0.002 0.000 0.278 443 D C 0.578 176.456 176.300 -0.704 0.000 1.102 443 D CA -0.619 53.328 54.000 -0.087 0.000 1.108 443 D CB 0.199 41.050 40.800 0.084 0.000 1.444 443 D HN 0.248 nan 8.370 nan 0.000 0.568 444 A N -0.064 122.502 122.820 -0.423 0.000 1.940 444 A HA 0.069 4.388 4.320 -0.002 0.000 0.219 444 A C 2.131 179.484 177.584 -0.383 0.000 1.176 444 A CA 2.723 54.466 52.037 -0.489 0.000 0.631 444 A CB -1.387 17.574 19.000 -0.065 0.000 0.814 444 A HN 0.729 nan 8.150 nan 0.000 0.446 445 A N -0.729 121.994 122.820 -0.161 0.000 1.940 445 A HA -0.105 4.214 4.320 -0.002 0.000 0.219 445 A C 2.293 179.791 177.584 -0.145 0.000 1.176 445 A CA 2.338 54.333 52.037 -0.070 0.000 0.631 445 A CB -1.308 17.794 19.000 0.169 0.000 0.814 445 A HN 0.473 nan 8.150 nan 0.000 0.446 446 T N 0.565 115.014 114.554 -0.176 0.000 2.684 446 T HA -0.092 4.257 4.350 -0.002 0.000 0.267 446 T C 2.211 176.667 174.700 -0.407 0.000 1.036 446 T CA 1.785 63.669 62.100 -0.359 0.000 1.148 446 T CB -0.574 68.156 68.868 -0.230 0.000 0.863 446 T HN 0.624 nan 8.240 nan 0.000 0.436 447 A N 1.650 124.205 122.820 -0.442 0.000 1.972 447 A HA -0.139 4.180 4.320 -0.002 0.000 0.219 447 A C 2.353 179.757 177.584 -0.300 0.000 1.169 447 A CA 1.263 53.120 52.037 -0.299 0.000 0.635 447 A CB -0.386 18.480 19.000 -0.225 0.000 0.810 447 A HN 0.363 nan 8.150 nan 0.000 0.446 448 E N -0.449 119.479 120.200 -0.453 0.000 2.017 448 E HA -0.181 4.168 4.350 -0.002 0.000 0.193 448 E C 1.933 178.242 176.600 -0.485 0.000 0.997 448 E CA 1.274 57.247 56.400 -0.712 0.000 0.804 448 E CB -0.561 28.325 29.700 -1.357 0.000 0.757 448 E HN 0.571 nan 8.360 nan 0.000 0.448 449 I N 1.477 121.857 120.570 -0.318 0.000 2.264 449 I HA -0.233 3.936 4.170 -0.002 0.000 0.248 449 I C 2.111 178.113 176.117 -0.192 0.000 1.111 449 I CA 1.189 62.419 61.300 -0.116 0.000 1.382 449 I CB -0.346 37.589 38.000 -0.110 0.000 1.060 449 I HN -0.108 nan 8.210 nan 0.000 0.418 450 S N 1.060 116.613 115.700 -0.245 0.000 2.351 450 S HA -0.262 4.207 4.470 -0.002 0.000 0.220 450 S C 1.928 176.521 174.600 -0.012 0.000 1.035 450 S CA 2.007 60.125 58.200 -0.137 0.000 1.031 450 S CB -0.494 62.651 63.200 -0.092 0.000 0.928 450 S HN 0.620 nan 8.310 nan 0.000 0.433 451 R N 2.399 122.909 120.500 0.015 0.000 2.115 451 R HA 0.198 4.537 4.340 -0.002 0.000 0.230 451 R C 1.993 178.204 176.300 -0.149 0.000 1.111 451 R CA 1.445 57.486 56.100 -0.099 0.000 0.976 451 R CB -1.057 29.101 30.300 -0.238 0.000 0.870 451 R HN 0.288 nan 8.270 nan 0.000 0.445 452 A N 1.081 123.848 122.820 -0.087 0.000 1.898 452 A HA -0.147 4.172 4.320 -0.002 0.000 0.216 452 A C 2.156 179.768 177.584 0.047 0.000 1.181 452 A CA 1.421 53.505 52.037 0.078 0.000 0.620 452 A CB -0.469 18.761 19.000 0.383 0.000 0.819 452 A HN 0.499 nan 8.150 nan 0.000 0.442 453 Q N -0.382 119.298 119.800 -0.200 0.000 2.084 453 Q HA -0.120 4.219 4.340 -0.002 0.000 0.202 453 Q C 2.231 177.823 176.000 -0.681 0.000 0.978 453 Q CA 1.718 57.114 55.803 -0.680 0.000 0.844 453 Q CB -0.405 27.698 28.738 -1.058 0.000 0.898 453 Q HN 0.513 nan 8.270 nan 0.000 0.426 454 V N -0.007 119.734 119.914 -0.287 0.000 2.343 454 V HA -0.249 3.870 4.120 -0.002 0.000 0.247 454 V C 1.816 177.943 176.094 0.055 0.000 1.051 454 V CA 1.914 64.201 62.300 -0.022 0.000 1.036 454 V CB -0.770 31.108 31.823 0.091 0.000 0.654 454 V HN 0.499 nan 8.190 nan 0.000 0.451 455 W N 0.721 121.931 121.300 -0.150 0.000 2.318 455 W HA -0.317 4.342 4.660 -0.002 0.000 0.313 455 W C 2.710 179.246 176.519 0.029 0.000 1.221 455 W CA 2.447 59.740 57.345 -0.087 0.000 1.266 455 W CB -0.164 29.210 29.460 -0.142 0.000 1.150 455 W HN 0.254 nan 8.180 nan 0.000 0.496 456 Q N -0.935 119.094 119.800 0.381 0.000 2.079 456 Q HA -0.218 4.122 4.340 -0.002 0.000 0.200 456 Q C 2.062 178.216 176.000 0.256 0.000 0.974 456 Q CA 1.937 57.924 55.803 0.307 0.000 0.840 456 Q CB -0.801 28.146 28.738 0.349 0.000 0.898 456 Q HN 0.319 nan 8.270 nan 0.000 0.430 457 W N 0.659 122.028 121.300 0.115 0.000 2.381 457 W HA -0.037 4.622 4.660 -0.002 0.000 0.301 457 W C 1.984 178.518 176.519 0.025 0.000 1.205 457 W CA 0.287 57.678 57.345 0.077 0.000 1.285 457 W CB -0.751 28.756 29.460 0.078 0.000 1.133 457 W HN 0.205 nan 8.180 nan 0.000 0.521 458 I N 0.191 120.877 120.570 0.193 0.000 2.264 458 I HA -0.329 3.840 4.170 -0.002 0.000 0.248 458 I C 2.466 178.567 176.117 -0.027 0.000 1.111 458 I CA 1.555 62.884 61.300 0.048 0.000 1.382 458 I CB -0.367 37.606 38.000 -0.045 0.000 1.060 458 I HN -0.077 nan 8.210 nan 0.000 0.418 459 R N -1.324 119.116 120.500 -0.100 0.000 2.140 459 R HA 0.028 4.367 4.340 -0.002 0.000 0.213 459 R C 0.793 177.064 176.300 -0.048 0.000 1.059 459 R CA 0.075 56.069 56.100 -0.176 0.000 1.000 459 R CB -0.121 29.917 30.300 -0.436 0.000 0.910 459 R HN 0.300 nan 8.270 nan 0.000 0.455 460 H N 1.159 120.229 119.070 0.001 0.000 2.732 460 H HA -0.035 4.521 4.556 -0.001 0.000 0.351 460 H C 1.091 176.437 175.328 0.029 0.000 1.090 460 H CA 0.223 56.299 56.048 0.047 0.000 1.431 460 H CB 1.030 30.870 29.762 0.131 0.000 1.447 460 H HN 0.184 nan 8.280 nan 0.000 0.582 461 E N 2.098 122.286 120.200 -0.019 0.000 2.153 461 E HA -0.118 4.231 4.350 -0.002 0.000 0.194 461 E C 1.586 178.290 176.600 0.172 0.000 0.988 461 E CA 1.025 57.455 56.400 0.049 0.000 0.811 461 E CB 0.006 29.689 29.700 -0.027 0.000 0.746 461 E HN 0.711 nan 8.360 nan 0.000 0.466 462 G N 1.209 110.273 108.800 0.441 0.000 2.985 462 G HA2 0.092 4.051 3.960 -0.002 0.000 0.209 462 G HA3 0.092 4.051 3.960 -0.002 0.000 0.209 462 G C 0.743 175.686 174.900 0.072 0.000 1.165 462 G CA 0.029 45.264 45.100 0.225 0.000 0.776 462 G HN 0.297 nan 8.290 nan 0.000 0.541 463 G N 0.480 109.363 108.800 0.138 0.000 2.916 463 G HA2 0.509 4.468 3.960 -0.002 0.000 0.280 463 G HA3 0.509 4.468 3.960 -0.002 0.000 0.280 463 G C 0.021 174.897 174.900 -0.040 0.000 0.758 463 G CA 0.392 45.520 45.100 0.047 0.000 1.993 463 G HN 0.628 nan 8.290 nan 0.000 0.564 464 K N 2.759 123.081 120.400 -0.131 0.000 2.468 464 K HA 0.681 5.000 4.320 -0.002 0.000 0.252 464 K C 0.076 176.568 176.600 -0.180 0.000 0.932 464 K CA -0.838 55.382 56.287 -0.111 0.000 0.794 464 K CB 1.046 33.510 32.500 -0.061 0.000 1.241 464 K HN 0.352 nan 8.250 nan 0.000 0.428 465 L N 1.385 122.521 121.223 -0.145 0.000 2.473 465 L HA 0.081 4.420 4.340 -0.002 0.000 0.265 465 L C 2.138 178.938 176.870 -0.117 0.000 1.243 465 L CA -0.037 54.713 54.840 -0.150 0.000 0.822 465 L CB 0.467 42.471 42.059 -0.092 0.000 1.101 465 L HN 1.063 nan 8.230 nan 0.000 0.507 466 N N 0.564 119.201 118.700 -0.105 0.000 2.223 466 N HA -0.183 4.556 4.740 -0.002 0.000 0.185 466 N C 1.045 176.525 175.510 -0.050 0.000 1.016 466 N CA 1.391 54.396 53.050 -0.074 0.000 0.863 466 N CB 0.112 38.564 38.487 -0.058 0.000 0.983 466 N HN 0.831 nan 8.380 nan 0.000 0.429 467 D N -1.223 119.152 120.400 -0.043 0.000 2.363 467 D HA 0.075 4.714 4.640 -0.002 0.000 0.226 467 D C 1.269 177.553 176.300 -0.028 0.000 1.020 467 D CA 0.973 54.956 54.000 -0.029 0.000 0.892 467 D CB -0.215 40.572 40.800 -0.022 0.000 0.900 467 D HN 0.379 nan 8.370 nan 0.000 0.531 468 G N -0.110 108.668 108.800 -0.036 0.000 2.232 468 G HA2 -0.305 3.655 3.960 -0.002 0.000 0.226 468 G HA3 -0.305 3.655 3.960 -0.002 0.000 0.226 468 G C 0.332 175.215 174.900 -0.028 0.000 0.996 468 G CA -0.191 44.891 45.100 -0.031 0.000 0.626 468 G HN 0.425 nan 8.290 nan 0.000 0.509 469 R N 1.019 121.502 120.500 -0.027 0.000 2.502 469 R HA 0.173 4.512 4.340 -0.002 0.000 0.292 469 R C -0.020 176.266 176.300 -0.023 0.000 0.998 469 R CA -0.301 55.788 56.100 -0.019 0.000 1.056 469 R CB 0.132 30.423 30.300 -0.015 0.000 0.939 469 R HN 0.222 nan 8.270 nan 0.000 0.411 470 N N 2.565 121.258 118.700 -0.011 0.000 2.454 470 N HA 0.001 4.740 4.740 -0.002 0.000 0.260 470 N C -0.246 175.267 175.510 0.005 0.000 1.218 470 N CA 0.237 53.285 53.050 -0.005 0.000 0.904 470 N CB 0.483 38.971 38.487 0.002 0.000 1.065 470 N HN 0.393 nan 8.380 nan 0.000 0.462 471 I N 2.438 123.015 120.570 0.012 0.000 2.329 471 I HA 0.051 4.220 4.170 -0.002 0.000 0.295 471 I C 0.774 176.922 176.117 0.052 0.000 1.109 471 I CA -0.170 61.157 61.300 0.045 0.000 1.297 471 I CB -0.305 37.742 38.000 0.079 0.000 1.433 471 I HN 0.445 nan 8.210 nan 0.000 0.509 472 T N 2.082 116.660 114.554 0.041 0.000 2.940 472 T HA 0.495 4.844 4.350 -0.002 0.000 0.288 472 T C 1.155 175.874 174.700 0.030 0.000 1.045 472 T CA -0.917 61.198 62.100 0.025 0.000 1.018 472 T CB 1.798 70.675 68.868 0.015 0.000 1.151 472 T HN 0.340 nan 8.240 nan 0.000 0.529 473 L N 0.234 121.465 121.223 0.013 0.000 2.021 473 L HA -0.150 4.190 4.340 -0.002 0.000 0.215 473 L C 3.052 179.940 176.870 0.031 0.000 1.074 473 L CA 1.884 56.734 54.840 0.017 0.000 0.760 473 L CB -0.552 41.507 42.059 0.000 0.000 0.889 473 L HN 0.867 nan 8.230 nan 0.000 0.433 474 E N 0.185 120.399 120.200 0.024 0.000 2.058 474 E HA -0.279 4.070 4.350 -0.002 0.000 0.194 474 E C 2.224 178.846 176.600 0.036 0.000 0.997 474 E CA 1.588 58.004 56.400 0.027 0.000 0.801 474 E CB -0.067 29.644 29.700 0.019 0.000 0.746 474 E HN 0.328 nan 8.360 nan 0.000 0.450 475 L N 0.841 122.087 121.223 0.038 0.000 2.056 475 L HA -0.157 4.182 4.340 -0.002 0.000 0.207 475 L C 2.386 179.295 176.870 0.065 0.000 1.078 475 L CA 1.469 56.336 54.840 0.045 0.000 0.749 475 L CB -0.415 41.668 42.059 0.040 0.000 0.901 475 L HN 0.226 nan 8.230 nan 0.000 0.433 476 M N -0.589 119.058 119.600 0.079 0.000 2.080 476 M HA -0.205 4.274 4.480 -0.002 0.000 0.260 476 M C 2.049 178.413 176.300 0.106 0.000 1.068 476 M CA 1.871 57.239 55.300 0.113 0.000 1.109 476 M CB -0.714 31.956 32.600 0.117 0.000 1.342 476 M HN 0.335 nan 8.290 nan 0.000 0.405 477 E N 0.320 120.570 120.200 0.082 0.000 2.110 477 E HA -0.232 4.117 4.350 -0.002 0.000 0.193 477 E C 1.843 178.481 176.600 0.063 0.000 0.988 477 E CA 1.586 58.032 56.400 0.075 0.000 0.804 477 E CB -0.443 29.291 29.700 0.057 0.000 0.745 477 E HN 0.726 nan 8.360 nan 0.000 0.458 478 E N 0.395 120.626 120.200 0.053 0.000 2.072 478 E HA -0.157 4.192 4.350 -0.002 0.000 0.190 478 E C 2.031 178.657 176.600 0.043 0.000 0.982 478 E CA 0.443 56.868 56.400 0.041 0.000 0.803 478 E CB 0.065 29.786 29.700 0.034 0.000 0.755 478 E HN 0.029 nan 8.360 nan 0.000 0.453 479 L N 1.863 123.118 121.223 0.054 0.000 2.046 479 L HA -0.158 4.181 4.340 -0.002 0.000 0.208 479 L C 2.502 179.405 176.870 0.054 0.000 1.077 479 L CA 1.781 56.654 54.840 0.055 0.000 0.747 479 L CB -0.834 41.269 42.059 0.074 0.000 0.896 479 L HN 0.138 nan 8.230 nan 0.000 0.432 480 K N -0.074 120.369 120.400 0.073 0.000 2.032 480 K HA -0.237 4.082 4.320 -0.002 0.000 0.209 480 K C 2.167 178.790 176.600 0.039 0.000 1.048 480 K CA 1.948 58.275 56.287 0.066 0.000 0.927 480 K CB -0.028 32.541 32.500 0.116 0.000 0.712 480 K HN 0.361 nan 8.250 nan 0.000 0.441 481 E N 1.434 121.659 120.200 0.040 0.000 2.085 481 E HA -0.253 4.096 4.350 -0.002 0.000 0.194 481 E C 1.734 178.341 176.600 0.010 0.000 0.994 481 E CA 1.876 58.291 56.400 0.025 0.000 0.801 481 E CB -0.672 29.043 29.700 0.026 0.000 0.743 481 E HN 0.679 nan 8.360 nan 0.000 0.453 482 E N -0.206 120.002 120.200 0.013 0.000 2.072 482 E HA -0.153 4.196 4.350 -0.002 0.000 0.191 482 E C 2.288 178.885 176.600 -0.005 0.000 0.985 482 E CA 1.020 57.423 56.400 0.005 0.000 0.801 482 E CB 0.031 29.738 29.700 0.011 0.000 0.750 482 E HN 0.451 nan 8.360 nan 0.000 0.452 483 E N 0.746 120.943 120.200 -0.004 0.000 2.106 483 E HA -0.127 4.222 4.350 -0.002 0.000 0.192 483 E C 2.217 178.794 176.600 -0.038 0.000 0.984 483 E CA 0.643 57.032 56.400 -0.018 0.000 0.806 483 E CB -0.122 29.567 29.700 -0.019 0.000 0.750 483 E HN 0.306 nan 8.360 nan 0.000 0.458 484 L N 0.395 121.598 121.223 -0.034 0.000 2.141 484 L HA -0.092 4.247 4.340 -0.002 0.000 0.209 484 L C 2.452 179.275 176.870 -0.078 0.000 1.094 484 L CA 0.903 55.709 54.840 -0.057 0.000 0.763 484 L CB -0.396 41.649 42.059 -0.023 0.000 0.908 484 L HN 0.044 nan 8.230 nan 0.000 0.437 485 A N 0.605 123.396 122.820 -0.048 0.000 1.902 485 A HA -0.252 4.067 4.320 -0.002 0.000 0.217 485 A C 2.656 180.205 177.584 -0.057 0.000 1.181 485 A CA 2.396 54.405 52.037 -0.047 0.000 0.623 485 A CB -0.712 18.272 19.000 -0.026 0.000 0.818 485 A HN 0.335 nan 8.150 nan 0.000 0.443 486 K N 0.005 120.375 120.400 -0.049 0.000 2.057 486 K HA 0.006 4.325 4.320 -0.002 0.000 0.207 486 K C 1.873 178.430 176.600 -0.071 0.000 1.049 486 K CA 1.556 57.816 56.287 -0.046 0.000 0.931 486 K CB -1.042 31.440 32.500 -0.029 0.000 0.714 486 K HN 0.559 nan 8.250 nan 0.000 0.440 487 I N 0.602 121.110 120.570 -0.103 0.000 2.113 487 I HA -0.261 3.908 4.170 -0.002 0.000 0.238 487 I C 2.820 178.815 176.117 -0.204 0.000 1.070 487 I CA 1.738 62.940 61.300 -0.162 0.000 1.332 487 I CB -0.210 37.646 38.000 -0.240 0.000 1.044 487 I HN 0.516 nan 8.210 nan 0.000 0.402 488 E N 0.774 120.841 120.200 -0.220 0.000 2.171 488 E HA -0.327 4.023 4.350 -0.002 0.000 0.197 488 E C 2.510 179.042 176.600 -0.113 0.000 0.997 488 E CA 1.779 58.066 56.400 -0.189 0.000 0.810 488 E CB 0.037 29.648 29.700 -0.148 0.000 0.738 488 E HN 0.472 nan 8.360 nan 0.000 0.467 489 R N 0.197 120.645 120.500 -0.086 0.000 2.090 489 R HA -0.052 4.287 4.340 -0.002 0.000 0.228 489 R C 2.101 178.371 176.300 -0.049 0.000 1.110 489 R CA 1.820 57.887 56.100 -0.056 0.000 0.973 489 R CB -1.647 nan 30.300 nan 0.000 0.869 489 R HN 0.440 nan 8.270 nan 0.000 0.440 490 E N -0.209 119.957 120.200 -0.056 0.000 2.158 490 E HA 0.290 4.639 4.350 -0.002 0.000 0.191 490 E C 2.127 178.705 176.600 -0.038 0.000 0.982 490 E CA 1.717 58.094 56.400 -0.038 0.000 0.823 490 E CB -0.571 nan 29.700 nan 0.000 0.766 490 E HN 0.975 nan 8.360 nan 0.000 0.468 491 I N -1.526 119.004 120.570 -0.065 0.000 4.032 491 I HA 0.604 4.773 4.170 -0.002 0.000 0.313 491 I C 1.687 177.776 176.117 -0.047 0.000 1.272 491 I CA 1.097 62.364 61.300 -0.055 0.000 1.307 491 I CB -0.140 nan 38.000 nan 0.000 1.155 491 I HN 1.093 nan 8.210 nan 0.000 0.431 492 G N -0.881 107.880 108.800 -0.065 0.000 2.650 492 G HA2 0.361 4.320 3.960 -0.002 0.000 0.686 492 G HA3 0.361 4.320 3.960 -0.002 0.000 0.686 492 G C 0.441 175.309 174.900 -0.053 0.000 1.205 492 G CA 0.370 45.443 45.100 -0.044 0.000 0.781 492 G HN 1.552 nan 8.290 nan 0.000 0.648 493 K N -0.188 120.190 120.400 -0.036 0.000 2.026 493 K HA 0.038 4.357 4.320 -0.002 0.000 0.208 493 K C 2.504 179.099 176.600 -0.009 0.000 1.048 493 K CA 2.718 58.988 56.287 -0.029 0.000 0.929 493 K CB -1.002 nan 32.500 nan 0.000 0.713 493 K HN 1.653 nan 8.250 nan 0.000 0.439 494 E N -0.023 120.179 120.200 0.004 0.000 2.110 494 E HA 0.113 4.462 4.350 -0.002 0.000 0.193 494 E C 1.310 177.934 176.600 0.041 0.000 0.988 494 E CA 0.794 57.206 56.400 0.021 0.000 0.804 494 E CB -0.616 29.096 29.700 0.019 0.000 0.745 494 E HN 0.843 nan 8.360 nan 0.000 0.458 498 K N 1.430 121.903 120.400 0.123 0.000 2.374 498 K HA 0.425 4.744 4.320 -0.002 0.000 0.196 498 K C 1.814 178.469 176.600 0.092 0.000 1.023 498 K CA 1.208 57.548 56.287 0.088 0.000 1.103 498 K CB 0.236 32.774 32.500 0.063 0.000 0.848 498 K HN 1.156 nan 8.250 nan 0.000 0.528 499 G N 0.402 109.301 108.800 0.165 0.000 3.233 499 G HA2 0.133 4.092 3.960 -0.002 0.000 0.227 499 G HA3 0.133 4.092 3.960 -0.002 0.000 0.227 499 G C 0.397 175.229 174.900 -0.114 0.000 1.175 499 G CA 0.030 45.176 45.100 0.078 0.000 0.781 499 G HN 0.541 nan 8.290 nan 0.000 0.542 500 R N -1.710 118.790 120.500 0.000 0.000 3.531 500 R HA -0.200 4.139 4.340 -0.002 0.000 0.280 500 R C 0.656 176.899 176.300 -0.095 0.000 1.130 500 R CA 0.388 56.469 56.100 -0.032 0.000 0.757 500 R CB -2.337 27.931 30.300 -0.052 0.000 1.218 500 R HN 0.427 nan 8.270 nan 0.000 0.454 501 F N 0.079 120.045 119.950 0.028 0.000 2.186 501 F HA -0.249 4.277 4.527 -0.002 0.000 0.299 501 F C 3.044 178.864 175.800 0.033 0.000 1.090 501 F CA 1.880 59.894 58.000 0.024 0.000 1.307 501 F CB -0.407 38.600 39.000 0.011 0.000 1.019 501 F HN 0.198 nan 8.300 nan 0.000 0.489 502 Q N 0.731 120.648 119.800 0.195 0.000 2.014 502 Q HA -0.268 4.071 4.340 -0.002 0.000 0.207 502 Q C 2.100 178.160 176.000 0.100 0.000 0.993 502 Q CA 2.318 58.198 55.803 0.128 0.000 0.850 502 Q CB -0.718 28.078 28.738 0.097 0.000 0.916 502 Q HN 0.657 nan 8.270 nan 0.000 0.417 503 E N -0.093 120.152 120.200 0.076 0.000 2.085 503 E HA -0.145 4.204 4.350 -0.002 0.000 0.194 503 E C 2.214 178.855 176.600 0.069 0.000 0.994 503 E CA 1.142 57.581 56.400 0.066 0.000 0.801 503 E CB -0.397 29.336 29.700 0.055 0.000 0.743 503 E HN 0.644 nan 8.360 nan 0.000 0.453 504 A N 0.745 123.589 122.820 0.040 0.000 1.902 504 A HA -0.195 4.124 4.320 -0.002 0.000 0.217 504 A C 2.362 180.013 177.584 0.113 0.000 1.181 504 A CA 1.945 54.003 52.037 0.035 0.000 0.623 504 A CB -0.842 18.099 19.000 -0.098 0.000 0.818 504 A HN 0.195 nan 8.150 nan 0.000 0.443 505 T N -0.336 114.297 114.554 0.132 0.000 2.777 505 T HA -0.104 4.245 4.350 -0.002 0.000 0.266 505 T C 2.015 176.821 174.700 0.176 0.000 1.040 505 T CA 1.878 64.077 62.100 0.166 0.000 1.141 505 T CB -0.549 68.408 68.868 0.149 0.000 0.868 505 T HN 0.546 nan 8.240 nan 0.000 0.444 506 T N 2.403 117.033 114.554 0.126 0.000 2.746 506 T HA -0.032 4.317 4.350 -0.002 0.000 0.267 506 T C 1.881 176.639 174.700 0.096 0.000 1.039 506 T CA 0.827 62.987 62.100 0.101 0.000 1.142 506 T CB -0.417 68.497 68.868 0.076 0.000 0.866 506 T HN 0.102 nan 8.240 nan 0.000 0.444 507 L N 0.586 121.870 121.223 0.102 0.000 2.027 507 L HA 0.128 4.467 4.340 -0.002 0.000 0.206 507 L C 2.031 178.946 176.870 0.074 0.000 1.074 507 L CA 1.548 56.431 54.840 0.073 0.000 0.745 507 L CB -1.023 41.075 42.059 0.066 0.000 0.898 507 L HN 0.226 nan 8.230 nan 0.000 0.433 508 F N 0.361 120.306 119.950 -0.009 0.000 2.091 508 F HA -0.301 4.225 4.527 -0.002 0.000 0.299 508 F C 2.294 178.095 175.800 0.003 0.000 1.103 508 F CA 2.481 60.473 58.000 -0.013 0.000 1.228 508 F CB -0.780 38.224 39.000 0.006 0.000 0.984 508 F HN 0.140 nan 8.300 nan 0.000 0.477 509 T N 0.575 115.206 114.554 0.129 0.000 2.746 509 T HA -0.193 4.156 4.350 -0.002 0.000 0.267 509 T C 1.736 176.402 174.700 -0.056 0.000 1.039 509 T CA 1.497 63.615 62.100 0.029 0.000 1.142 509 T CB -0.415 68.518 68.868 0.109 0.000 0.866 509 T HN 0.279 nan 8.240 nan 0.000 0.444 510 N N 1.222 119.905 118.700 -0.028 0.000 2.166 510 N HA 0.041 4.780 4.740 -0.002 0.000 0.186 510 N C 1.880 177.343 175.510 -0.078 0.000 1.019 510 N CA 0.750 53.781 53.050 -0.033 0.000 0.856 510 N CB -0.444 38.038 38.487 -0.009 0.000 0.993 510 N HN 0.354 nan 8.380 nan 0.000 0.426 511 L N 0.746 121.876 121.223 -0.154 0.000 2.083 511 L HA -0.115 4.224 4.340 -0.002 0.000 0.209 511 L C 2.181 178.936 176.870 -0.192 0.000 1.083 511 L CA 0.949 55.649 54.840 -0.234 0.000 0.752 511 L CB -0.324 41.543 42.059 -0.321 0.000 0.899 511 L HN 0.096 nan 8.230 nan 0.000 0.433 512 V N -4.129 115.635 119.914 -0.249 0.000 3.235 512 V HA -0.001 4.118 4.120 -0.002 0.000 0.259 512 V C 2.221 178.310 176.094 -0.009 0.000 1.133 512 V CA 0.634 62.869 62.300 -0.109 0.000 1.128 512 V CB -0.349 31.279 31.823 -0.325 0.000 0.757 512 V HN 0.307 nan 8.190 nan 0.000 0.469 513 R N 1.047 121.533 120.500 -0.024 0.000 2.140 513 R HA 0.164 4.503 4.340 -0.002 0.000 0.213 513 R C 0.960 177.277 176.300 0.029 0.000 1.059 513 R CA 0.404 56.493 56.100 -0.018 0.000 1.000 513 R CB -0.205 30.086 30.300 -0.015 0.000 0.910 513 R HN 0.565 nan 8.270 nan 0.000 0.455 514 N N 2.055 120.803 118.700 0.081 0.000 2.440 514 N HA -0.089 4.650 4.740 -0.002 0.000 0.265 514 N C -0.037 175.643 175.510 0.283 0.000 1.239 514 N CA 0.507 53.628 53.050 0.118 0.000 0.909 514 N CB 0.769 39.296 38.487 0.067 0.000 1.066 514 N HN 0.017 nan 8.380 nan 0.000 0.474 515 D N 2.824 123.349 120.400 0.208 0.000 2.312 515 D HA -0.111 4.528 4.640 -0.002 0.000 0.211 515 D C 0.754 177.310 176.300 0.426 0.000 0.964 515 D CA 0.830 55.000 54.000 0.284 0.000 0.877 515 D CB 0.318 41.183 40.800 0.108 0.000 0.924 515 D HN 0.698 nan 8.370 nan 0.000 0.515 516 E N -0.392 119.969 120.200 0.269 0.000 2.216 516 E HA 0.019 4.368 4.350 -0.002 0.000 0.192 516 E C -0.198 176.483 176.600 0.135 0.000 0.988 516 E CA -0.172 56.330 56.400 0.169 0.000 0.834 516 E CB 0.037 29.783 29.700 0.076 0.000 0.772 516 E HN 0.095 nan 8.360 nan 0.000 0.479 517 F N -0.531 119.322 119.950 -0.161 0.000 2.305 517 F HA -0.228 4.298 4.527 -0.002 0.000 0.450 517 F C -0.415 175.176 175.800 -0.349 0.000 1.197 517 F CA -0.467 57.208 58.000 -0.541 0.000 1.457 517 F CB -0.695 37.763 39.000 -0.903 0.000 2.232 517 F HN -0.181 nan 8.300 nan 0.000 0.758 518 V N 8.079 127.836 119.914 -0.261 0.000 2.557 518 V HA -0.000 4.119 4.120 -0.002 0.000 0.301 518 V C -1.211 174.808 176.094 -0.125 0.000 1.026 518 V CA -0.160 62.051 62.300 -0.147 0.000 1.137 518 V CB 1.155 32.897 31.823 -0.136 0.000 0.917 518 V HN 0.509 nan 8.190 nan 0.000 0.484 519 P HA -0.021 nan 4.420 nan 0.000 0.218 519 P C -0.459 176.451 177.300 -0.649 0.000 1.148 519 P CA 1.363 64.290 63.100 -0.287 0.000 0.822 519 P CB 0.093 31.677 31.700 -0.194 0.000 0.784 520 F N -2.758 117.228 119.950 0.061 0.000 2.604 520 F HA 0.163 4.689 4.527 -0.002 0.000 0.316 520 F C 0.936 176.700 175.800 -0.061 0.000 1.136 520 F CA -1.123 56.886 58.000 0.016 0.000 0.989 520 F CB 1.078 40.069 39.000 -0.015 0.000 1.258 520 F HN -0.367 nan 8.300 nan 0.000 0.451 521 L N -0.281 120.932 121.223 -0.017 0.000 2.362 521 L HA 0.003 4.342 4.340 -0.002 0.000 0.219 521 L C 1.785 178.587 176.870 -0.114 0.000 1.134 521 L CA 2.072 56.841 54.840 -0.119 0.000 0.807 521 L CB -1.854 40.073 42.059 -0.220 0.000 0.927 521 L HN 0.724 nan 8.230 nan 0.000 0.447 522 T N -3.096 111.434 114.554 -0.039 0.000 3.035 522 T HA 0.050 4.399 4.350 -0.002 0.000 0.268 522 T C 1.774 176.606 174.700 0.220 0.000 1.109 522 T CA 0.925 63.020 62.100 -0.008 0.000 1.119 522 T CB -0.587 68.373 68.868 0.152 0.000 0.900 522 T HN 0.412 nan 8.240 nan 0.000 0.503 523 L N 1.525 122.887 121.223 0.232 0.000 1.961 523 L HA 0.014 4.353 4.340 -0.002 0.000 0.210 523 L C 0.134 177.134 176.870 0.218 0.000 1.072 523 L CA 1.486 56.476 54.840 0.251 0.000 0.749 523 L CB -1.475 40.732 42.059 0.246 0.000 0.889 523 L HN 0.216 nan 8.230 nan 0.000 0.432 524 P HA -0.120 nan 4.420 nan 0.000 0.217 524 P C 1.578 178.972 177.300 0.156 0.000 1.151 524 P CA 1.858 65.028 63.100 0.116 0.000 0.828 524 P CB -0.206 31.527 31.700 0.054 0.000 0.788 525 G N -0.549 108.337 108.800 0.143 0.000 2.440 525 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.218 525 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.218 525 G C 1.623 176.875 174.900 0.587 0.000 1.154 525 G CA 0.600 45.852 45.100 0.253 0.000 0.767 525 G HN 0.182 nan 8.290 nan 0.000 0.552 526 Y N 1.643 122.212 120.300 0.449 0.000 2.224 526 Y HA -0.083 4.466 4.550 -0.001 0.000 0.289 526 Y C 2.784 178.812 175.900 0.214 0.000 1.146 526 Y CA 1.636 59.964 58.100 0.381 0.000 1.182 526 Y CB 0.020 38.660 38.460 0.300 0.000 0.983 526 Y HN 0.198 nan 8.280 nan 0.000 0.524 527 E N 0.221 120.516 120.200 0.158 0.000 2.077 527 E HA -0.198 4.151 4.350 -0.002 0.000 0.193 527 E C 2.158 178.759 176.600 0.002 0.000 0.989 527 E CA 1.929 58.343 56.400 0.022 0.000 0.800 527 E CB -0.527 29.212 29.700 0.065 0.000 0.746 527 E HN 0.792 nan 8.360 nan 0.000 0.452 528 I N -1.381 119.237 120.570 0.081 0.000 3.783 528 I HA 0.093 4.262 4.170 -0.002 0.000 0.310 528 I C 1.127 177.290 176.117 0.077 0.000 1.274 528 I CA -0.408 60.935 61.300 0.071 0.000 1.294 528 I CB 0.119 38.174 38.000 0.091 0.000 1.051 528 I HN -0.114 nan 8.210 nan 0.000 0.435 529 L N 0.000 121.288 121.223 0.109 0.000 2.949 529 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 529 L CA 0.000 54.871 54.840 0.051 0.000 0.813 529 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 529 L HN 0.000 nan 8.230 nan 0.000 0.502