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 2cxe_1_D DATA FIRST_RESID 9 DATA SEQUENCE EWYLDFVDLN YEPGRDELIV EYYFEPNGVS PEEAAGRIAS ESSIGTWTTL DATA SEQUENCE WKLPEMAKRS MAKVFYLEKH GEGYIAKIAY PLTLFEEGSL VQLFSAVAGN DATA SEQUENCE VFGMKALKNL RLLDFHPPYE YLRHFKGPQF GVQGIREFMG VKDRPLTATV DATA SEQUENCE PKPKMGWSVE EYAEIAYELW SGGIDLLKDD ENFTSFPFNR FEERVRKLYR DATA SEQUENCE VRDRVEAETG ETKEYLINIT GPVNIMEKRA EMVANEGGQY VMIDIVVAGW DATA SEQUENCE SALQYMREVT EDLGLAIHAH RAMHAAFTRN PRHGITMLAL AKAARMIGVD DATA SEQUENCE QIHTGTAVGK MAGNYEEIKR INDFLLSKWE HIRPVFPVAS GGLHPGLMPE DATA SEQUENCE LIRLFGKDLV IQAGGGVMGH PDGPRAGAKA LRDAIDAAIE GVDLDEKAKS DATA SEQUENCE SPELKKSLRE VGLSKA 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 9 E HA 0.000 nan 4.350 nan 0.000 0.291 9 E C 0.000 176.647 176.600 0.079 0.000 1.382 9 E CA 0.000 56.418 56.400 0.031 0.000 0.976 9 E CB 0.000 29.725 29.700 0.041 0.000 0.812 10 W N 2.387 123.523 121.300 -0.273 0.000 2.253 10 W HA 0.274 4.933 4.660 -0.001 0.000 0.348 10 W C -0.244 176.164 176.519 -0.186 0.000 0.920 10 W CA -0.727 56.522 57.345 -0.160 0.000 1.518 10 W CB 0.267 29.672 29.460 -0.092 0.000 1.446 10 W HN 0.058 nan 8.180 nan 0.000 0.361 11 Y N 1.574 121.927 120.300 0.088 0.000 2.588 11 Y HA -0.338 4.211 4.550 -0.001 0.000 0.279 11 Y C 1.874 177.628 175.900 -0.244 0.000 1.171 11 Y CA 0.753 58.842 58.100 -0.019 0.000 1.425 11 Y CB -0.494 37.939 38.460 -0.045 0.000 0.960 11 Y HN 0.377 nan 8.280 nan 0.000 0.585 12 L N -0.593 120.266 121.223 -0.607 0.000 2.202 12 L HA -0.058 4.281 4.340 -0.001 0.000 0.205 12 L C 1.523 178.192 176.870 -0.335 0.000 1.083 12 L CA 1.271 55.760 54.840 -0.585 0.000 0.790 12 L CB -1.126 40.295 42.059 -1.063 0.000 0.942 12 L HN 0.165 nan 8.230 nan 0.000 0.452 13 D N 0.117 120.312 120.400 -0.342 0.000 2.149 13 D HA -0.222 4.417 4.640 -0.001 0.000 0.198 13 D C 1.831 178.012 176.300 -0.197 0.000 0.990 13 D CA 1.133 54.983 54.000 -0.249 0.000 0.839 13 D CB -0.261 40.345 40.800 -0.323 0.000 0.948 13 D HN 0.143 nan 8.370 nan 0.000 0.460 14 F N 0.333 120.191 119.950 -0.154 0.000 2.722 14 F HA 0.024 4.551 4.527 -0.001 0.000 0.298 14 F C 0.675 176.399 175.800 -0.126 0.000 1.175 14 F CA 0.160 58.081 58.000 -0.132 0.000 1.462 14 F CB -0.391 38.533 39.000 -0.127 0.000 1.111 14 F HN -0.212 nan 8.300 nan 0.000 0.592 15 V N -1.391 118.547 119.914 0.039 0.000 2.914 15 V HA 0.611 4.730 4.120 -0.001 0.000 0.314 15 V C -0.849 175.243 176.094 -0.003 0.000 1.084 15 V CA -1.005 61.295 62.300 -0.000 0.000 0.963 15 V CB 2.359 34.163 31.823 -0.031 0.000 1.025 15 V HN -0.036 nan 8.190 nan 0.000 0.432 16 D N 2.289 122.705 120.400 0.027 0.000 2.266 16 D HA 0.153 4.792 4.640 -0.001 0.000 0.218 16 D C -0.236 176.128 176.300 0.105 0.000 1.311 16 D CA -0.371 53.669 54.000 0.068 0.000 0.918 16 D CB 0.971 41.836 40.800 0.109 0.000 1.530 16 D HN 0.454 nan 8.370 nan 0.000 0.514 17 L N 2.735 123.994 121.223 0.059 0.000 2.650 17 L HA 0.232 4.571 4.340 -0.001 0.000 0.235 17 L C 1.645 178.552 176.870 0.061 0.000 1.149 17 L CA 0.424 55.287 54.840 0.039 0.000 0.887 17 L CB -0.246 41.797 42.059 -0.027 0.000 1.021 17 L HN 0.330 nan 8.230 nan 0.000 0.441 18 N N -1.787 116.984 118.700 0.119 0.000 2.463 18 N HA -0.039 4.701 4.740 -0.001 0.000 0.183 18 N C 0.299 175.939 175.510 0.216 0.000 1.064 18 N CA -0.371 52.757 53.050 0.130 0.000 0.879 18 N CB 0.449 38.984 38.487 0.080 0.000 1.148 18 N HN 0.083 nan 8.380 nan 0.000 0.451 19 Y N 2.801 123.170 120.300 0.115 0.000 2.904 19 Y HA -0.120 4.429 4.550 -0.001 0.000 0.336 19 Y C -0.475 175.539 175.900 0.190 0.000 1.263 19 Y CA 0.379 58.558 58.100 0.132 0.000 1.547 19 Y CB 0.280 38.819 38.460 0.132 0.000 1.272 19 Y HN 0.037 nan 8.280 nan 0.000 0.596 20 E N 7.801 128.036 120.200 0.058 0.000 2.182 20 E HA 0.278 4.627 4.350 -0.001 0.000 0.258 20 E C -2.591 173.840 176.600 -0.281 0.000 0.879 20 E CA -2.098 54.314 56.400 0.020 0.000 0.754 20 E CB 1.023 30.729 29.700 0.011 0.000 1.162 20 E HN 0.417 nan 8.360 nan 0.000 0.419 21 P HA 0.160 nan 4.420 nan 0.000 0.286 21 P C -0.175 177.135 177.300 0.016 0.000 1.269 21 P CA -0.311 62.884 63.100 0.159 0.000 0.787 21 P CB 1.401 32.949 31.700 -0.254 0.000 0.920 22 G N 3.088 111.906 108.800 0.030 0.000 2.425 22 G HA2 0.184 4.143 3.960 -0.001 0.000 0.302 22 G HA3 0.184 4.143 3.960 -0.001 0.000 0.302 22 G C 0.958 175.883 174.900 0.043 0.000 1.159 22 G CA -0.657 44.458 45.100 0.025 0.000 0.865 22 G HN 0.315 nan 8.290 nan 0.000 0.515 23 R N 0.255 120.783 120.500 0.045 0.000 2.208 23 R HA -0.193 4.146 4.340 -0.001 0.000 0.262 23 R C 1.285 177.644 176.300 0.098 0.000 1.166 23 R CA 1.986 58.125 56.100 0.065 0.000 0.987 23 R CB -0.051 30.282 30.300 0.054 0.000 0.887 23 R HN 0.663 nan 8.270 nan 0.000 0.459 24 D N 0.128 120.586 120.400 0.098 0.000 2.706 24 D HA 0.058 4.697 4.640 -0.001 0.000 0.236 24 D C -0.611 175.765 176.300 0.127 0.000 1.231 24 D CA -0.116 53.957 54.000 0.122 0.000 0.828 24 D CB -0.260 40.606 40.800 0.111 0.000 1.015 24 D HN 0.258 nan 8.370 nan 0.000 0.484 25 E N -0.472 119.797 120.200 0.114 0.000 2.390 25 E HA 0.345 4.694 4.350 -0.001 0.000 0.277 25 E C -1.357 175.303 176.600 0.099 0.000 0.939 25 E CA -1.214 55.253 56.400 0.112 0.000 0.769 25 E CB 2.105 31.849 29.700 0.074 0.000 1.251 25 E HN -0.031 nan 8.360 nan 0.000 0.450 26 L N 2.901 124.199 121.223 0.126 0.000 2.261 26 L HA 0.367 4.706 4.340 -0.001 0.000 0.289 26 L C -1.402 175.592 176.870 0.206 0.000 1.059 26 L CA -0.129 54.781 54.840 0.116 0.000 0.816 26 L CB 0.157 42.241 42.059 0.042 0.000 1.191 26 L HN 0.386 nan 8.230 nan 0.000 0.431 27 I N 5.630 126.302 120.570 0.170 0.000 2.362 27 I HA 0.464 4.633 4.170 -0.001 0.000 0.289 27 I C -0.470 175.754 176.117 0.178 0.000 0.994 27 I CA -0.623 60.794 61.300 0.195 0.000 1.158 27 I CB 1.677 39.777 38.000 0.167 0.000 1.315 27 I HN 0.111 nan 8.210 nan 0.000 0.451 28 V N 5.336 125.337 119.914 0.145 0.000 2.435 28 V HA 0.438 4.557 4.120 -0.001 0.000 0.290 28 V C -0.083 175.857 176.094 -0.257 0.000 1.030 28 V CA -0.685 61.567 62.300 -0.081 0.000 0.881 28 V CB 1.451 33.267 31.823 -0.011 0.000 0.983 28 V HN 0.719 nan 8.190 nan 0.000 0.445 29 E N 3.798 123.793 120.200 -0.342 0.000 2.171 29 E HA 0.583 4.932 4.350 -0.001 0.000 0.271 29 E C -1.684 174.685 176.600 -0.385 0.000 0.916 29 E CA -0.546 55.684 56.400 -0.283 0.000 0.774 29 E CB 1.828 31.408 29.700 -0.200 0.000 1.128 29 E HN 0.601 nan 8.360 nan 0.000 0.403 30 Y N 1.033 121.330 120.300 -0.004 0.000 2.528 30 Y HA 0.374 4.923 4.550 -0.001 0.000 0.335 30 Y C -0.765 175.258 175.900 0.205 0.000 1.093 30 Y CA -1.022 57.121 58.100 0.073 0.000 1.134 30 Y CB 1.177 39.660 38.460 0.037 0.000 1.253 30 Y HN 0.508 nan 8.280 nan 0.000 0.478 31 Y N 4.467 124.982 120.300 0.359 0.000 2.376 31 Y HA 0.644 5.194 4.550 -0.001 0.000 0.340 31 Y C -1.525 174.635 175.900 0.433 0.000 0.965 31 Y CA -2.378 55.904 58.100 0.302 0.000 1.078 31 Y CB 0.864 39.422 38.460 0.164 0.000 1.193 31 Y HN 0.490 nan 8.280 nan 0.000 0.452 32 F N 1.592 121.837 119.950 0.492 0.000 2.745 32 F HA 0.803 5.329 4.527 -0.001 0.000 0.316 32 F C -2.007 174.045 175.800 0.421 0.000 1.155 32 F CA -1.299 56.971 58.000 0.449 0.000 0.937 32 F CB 1.683 40.790 39.000 0.179 0.000 1.361 32 F HN 0.369 nan 8.300 nan 0.000 0.472 33 E N 2.080 122.595 120.200 0.524 0.000 2.302 33 E HA 0.389 4.738 4.350 -0.001 0.000 0.263 33 E C -2.849 173.968 176.600 0.362 0.000 0.897 33 E CA -2.037 54.565 56.400 0.336 0.000 0.809 33 E CB 2.400 32.279 29.700 0.297 0.000 1.270 33 E HN 0.281 nan 8.360 nan 0.000 0.410 34 P HA 0.075 nan 4.420 nan 0.000 0.275 34 P C -0.436 176.963 177.300 0.165 0.000 1.266 34 P CA -0.338 62.910 63.100 0.246 0.000 0.793 34 P CB 0.542 32.354 31.700 0.186 0.000 1.074 35 N N -0.080 118.689 118.700 0.115 0.000 2.732 35 N HA 0.204 4.943 4.740 -0.001 0.000 0.230 35 N C -0.185 175.359 175.510 0.058 0.000 1.487 35 N CA 0.130 53.233 53.050 0.088 0.000 0.765 35 N CB -0.374 38.170 38.487 0.095 0.000 1.384 35 N HN 0.651 nan 8.380 nan 0.000 0.530 36 G N 0.115 108.949 108.800 0.055 0.000 2.226 36 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.176 36 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.176 36 G C -0.599 174.320 174.900 0.032 0.000 1.042 36 G CA 0.034 45.159 45.100 0.041 0.000 0.732 36 G HN 1.137 nan 8.290 nan 0.000 0.494 37 V N -3.243 116.692 119.914 0.036 0.000 3.120 37 V HA 0.870 4.989 4.120 -0.001 0.000 0.303 37 V C 0.525 176.633 176.094 0.024 0.000 1.238 37 V CA -0.573 61.739 62.300 0.021 0.000 1.008 37 V CB 1.218 33.033 31.823 -0.014 0.000 1.064 37 V HN 0.920 nan 8.190 nan 0.000 0.434 38 S N 2.387 118.094 115.700 0.010 0.000 2.573 38 S HA 0.240 4.709 4.470 -0.001 0.000 0.277 38 S C -1.934 172.647 174.600 -0.031 0.000 1.346 38 S CA -0.354 57.842 58.200 -0.005 0.000 1.034 38 S CB 0.467 63.656 63.200 -0.020 0.000 0.879 38 S HN 0.782 nan 8.310 nan 0.000 0.528 39 P HA -0.022 nan 4.420 nan 0.000 0.231 39 P C 0.751 177.981 177.300 -0.116 0.000 1.158 39 P CA 0.952 63.899 63.100 -0.254 0.000 0.763 39 P CB 0.151 31.444 31.700 -0.678 0.000 0.805 40 E N -0.754 119.396 120.200 -0.083 0.000 2.110 40 E HA -0.035 4.314 4.350 -0.001 0.000 0.193 40 E C 1.683 178.236 176.600 -0.077 0.000 0.950 40 E CA 0.299 56.656 56.400 -0.072 0.000 0.840 40 E CB -0.293 29.360 29.700 -0.080 0.000 0.809 40 E HN 0.259 nan 8.360 nan 0.000 0.465 41 E N 0.675 120.824 120.200 -0.084 0.000 2.409 41 E HA -0.123 4.226 4.350 -0.001 0.000 0.198 41 E C 1.553 178.097 176.600 -0.094 0.000 1.024 41 E CA 0.414 56.758 56.400 -0.092 0.000 0.861 41 E CB 0.133 29.779 29.700 -0.089 0.000 0.788 41 E HN 0.175 nan 8.360 nan 0.000 0.521 42 A N 1.178 123.954 122.820 -0.074 0.000 1.838 42 A HA 0.092 4.412 4.320 -0.001 0.000 0.215 42 A C 2.339 179.738 177.584 -0.308 0.000 1.273 42 A CA 0.991 52.953 52.037 -0.126 0.000 0.602 42 A CB -0.946 18.113 19.000 0.098 0.000 0.934 42 A HN 0.287 nan 8.150 nan 0.000 0.461 43 A N -0.616 121.970 122.820 -0.391 0.000 2.266 43 A HA 0.019 4.339 4.320 -0.001 0.000 0.219 43 A C 2.014 179.470 177.584 -0.214 0.000 1.178 43 A CA 2.131 53.919 52.037 -0.414 0.000 0.678 43 A CB -1.203 17.743 19.000 -0.091 0.000 0.789 43 A HN 0.789 nan 8.150 nan 0.000 0.486 44 G N -0.781 107.952 108.800 -0.112 0.000 2.610 44 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.215 44 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.215 44 G C 1.561 176.478 174.900 0.029 0.000 1.243 44 G CA 0.497 45.606 45.100 0.016 0.000 0.847 44 G HN 0.508 nan 8.290 nan 0.000 0.560 45 R N 0.199 120.795 120.500 0.160 0.000 2.162 45 R HA -0.154 4.185 4.340 -0.001 0.000 0.245 45 R C 2.556 178.772 176.300 -0.140 0.000 1.129 45 R CA 1.820 58.011 56.100 0.152 0.000 0.940 45 R CB -0.786 29.481 30.300 -0.054 0.000 0.875 45 R HN 0.366 nan 8.270 nan 0.000 0.437 46 I N 0.400 120.784 120.570 -0.310 0.000 2.229 46 I HA -0.330 3.839 4.170 -0.001 0.000 0.250 46 I C 2.305 178.222 176.117 -0.333 0.000 1.096 46 I CA 1.641 62.683 61.300 -0.430 0.000 1.358 46 I CB -0.376 37.209 38.000 -0.693 0.000 1.047 46 I HN 0.313 nan 8.210 nan 0.000 0.422 47 A N -0.548 122.067 122.820 -0.342 0.000 2.238 47 A HA -0.021 4.298 4.320 -0.001 0.000 0.210 47 A C 2.258 179.342 177.584 -0.833 0.000 1.179 47 A CA 0.898 52.682 52.037 -0.421 0.000 0.827 47 A CB -0.260 18.502 19.000 -0.398 0.000 0.856 47 A HN 0.465 nan 8.150 nan 0.000 0.488 48 S N 0.178 115.379 115.700 -0.832 0.000 2.355 48 S HA -0.188 4.281 4.470 -0.001 0.000 0.210 48 S C 1.764 176.153 174.600 -0.351 0.000 1.035 48 S CA 1.362 59.063 58.200 -0.832 0.000 1.011 48 S CB -0.547 62.639 63.200 -0.023 0.000 1.000 48 S HN 0.449 nan 8.310 nan 0.000 0.423 49 E N 1.709 121.822 120.200 -0.144 0.000 2.094 49 E HA -0.198 4.151 4.350 -0.001 0.000 0.232 49 E C 2.178 178.716 176.600 -0.103 0.000 1.055 49 E CA 1.903 58.247 56.400 -0.093 0.000 0.923 49 E CB -1.300 28.343 29.700 -0.095 0.000 0.815 49 E HN 0.819 nan 8.360 nan 0.000 0.502 50 S N 0.042 115.676 115.700 -0.110 0.000 2.977 50 S HA -0.050 4.419 4.470 -0.001 0.000 0.241 50 S C 0.912 175.524 174.600 0.020 0.000 0.994 50 S CA 0.866 59.045 58.200 -0.035 0.000 1.054 50 S CB -0.519 62.721 63.200 0.067 0.000 0.818 50 S HN 0.351 nan 8.310 nan 0.000 0.534 51 S N 0.944 116.623 115.700 -0.035 0.000 5.078 51 S HA 0.204 4.674 4.470 -0.001 0.000 0.180 51 S C 0.748 175.354 174.600 0.011 0.000 1.330 51 S CA -0.186 58.013 58.200 -0.003 0.000 0.972 51 S CB -0.583 62.660 63.200 0.072 0.000 2.034 51 S HN 0.719 nan 8.310 nan 0.000 0.615 52 I N 1.625 122.255 120.570 0.100 0.000 3.684 52 I HA 0.499 4.669 4.170 -0.001 0.000 0.308 52 I C 1.227 177.426 176.117 0.137 0.000 1.263 52 I CA 0.592 61.964 61.300 0.119 0.000 1.174 52 I CB -1.529 36.560 38.000 0.148 0.000 1.021 52 I HN 0.989 nan 8.210 nan 0.000 0.451 53 G N 2.457 111.309 108.800 0.087 0.000 2.660 53 G HA2 -0.427 3.532 3.960 -0.001 0.000 0.321 53 G HA3 -0.427 3.532 3.960 -0.001 0.000 0.321 53 G C 0.260 175.277 174.900 0.195 0.000 1.246 53 G CA 1.358 46.509 45.100 0.084 0.000 1.000 53 G HN 0.874 nan 8.290 nan 0.000 0.550 54 T N -4.222 110.431 114.554 0.165 0.000 2.841 54 T HA 0.480 4.829 4.350 -0.001 0.000 0.276 54 T C -0.291 174.562 174.700 0.256 0.000 1.003 54 T CA 0.642 62.852 62.100 0.183 0.000 0.995 54 T CB 1.575 70.564 68.868 0.202 0.000 1.260 54 T HN 2.188 nan 8.240 nan 0.000 0.581 55 W N -0.107 121.205 121.300 0.021 0.000 3.079 55 W HA -0.114 4.545 4.660 -0.001 0.000 0.453 55 W C -0.609 175.917 176.519 0.010 0.000 1.859 55 W CA 1.077 58.434 57.345 0.020 0.000 0.459 55 W CB -0.931 28.549 29.460 0.035 0.000 2.859 55 W HN 0.939 nan 8.180 nan 0.000 0.416 56 T N 2.868 117.535 114.554 0.189 0.000 3.839 56 T HA 0.337 4.686 4.350 -0.001 0.000 0.230 56 T C 0.231 174.717 174.700 -0.358 0.000 1.095 56 T CA 0.161 62.227 62.100 -0.058 0.000 1.470 56 T CB 0.885 69.723 68.868 -0.051 0.000 0.881 56 T HN 0.612 nan 8.240 nan 0.000 0.637 57 T N -0.044 114.088 114.554 -0.703 0.000 3.236 57 T HA 0.318 4.668 4.350 -0.001 0.000 0.146 57 T C 0.915 175.294 174.700 -0.535 0.000 0.898 57 T CA -0.259 61.263 62.100 -0.964 0.000 0.882 57 T CB -0.176 67.698 68.868 -1.656 0.000 1.609 57 T HN 0.093 nan 8.240 nan 0.000 0.316 58 L N -0.016 120.919 121.223 -0.481 0.000 2.022 58 L HA 0.379 4.718 4.340 -0.001 0.000 0.204 58 L C 1.179 178.363 176.870 0.524 0.000 1.076 58 L CA 1.107 56.157 54.840 0.351 0.000 0.749 58 L CB -0.659 41.849 42.059 0.748 0.000 0.903 58 L HN 0.538 nan 8.230 nan 0.000 0.439 59 W N 1.387 122.945 121.300 0.430 0.000 2.509 59 W HA 0.146 4.805 4.660 -0.002 0.000 0.351 59 W C 0.472 177.092 176.519 0.168 0.000 1.107 59 W CA -0.906 56.569 57.345 0.216 0.000 1.264 59 W CB 0.845 30.392 29.460 0.144 0.000 1.312 59 W HN 0.004 nan 8.180 nan 0.000 0.608 60 K N 4.966 125.389 120.400 0.039 0.000 2.075 60 K HA -0.174 4.145 4.320 -0.001 0.000 0.246 60 K C -0.014 176.711 176.600 0.207 0.000 1.293 60 K CA 0.009 56.309 56.287 0.022 0.000 1.342 60 K CB -0.655 31.703 32.500 -0.236 0.000 0.820 60 K HN 0.494 nan 8.250 nan 0.000 0.436 61 L N 5.916 127.259 121.223 0.200 0.000 2.720 61 L HA -0.091 4.248 4.340 -0.001 0.000 0.289 61 L C -2.141 174.803 176.870 0.124 0.000 1.232 61 L CA -0.355 54.591 54.840 0.177 0.000 0.915 61 L CB 0.126 42.265 42.059 0.133 0.000 1.184 61 L HN 0.517 nan 8.230 nan 0.000 0.491 62 P HA 0.026 nan 4.420 nan 0.000 0.268 62 P C 0.167 177.506 177.300 0.065 0.000 1.204 62 P CA -0.148 63.006 63.100 0.090 0.000 0.768 62 P CB 0.878 32.626 31.700 0.079 0.000 0.842 63 E N 3.203 123.434 120.200 0.051 0.000 2.028 63 E HA -0.256 4.093 4.350 -0.001 0.000 0.217 63 E C 1.449 178.071 176.600 0.036 0.000 1.039 63 E CA 1.897 58.320 56.400 0.038 0.000 0.882 63 E CB -0.670 29.048 29.700 0.030 0.000 0.794 63 E HN 0.393 nan 8.360 nan 0.000 0.488 64 M N -0.272 119.348 119.600 0.033 0.000 2.800 64 M HA 0.030 4.509 4.480 -0.001 0.000 0.235 64 M C 1.205 177.524 176.300 0.031 0.000 1.057 64 M CA 0.975 56.292 55.300 0.029 0.000 1.066 64 M CB -0.055 32.560 32.600 0.025 0.000 1.558 64 M HN 0.272 nan 8.290 nan 0.000 0.551 65 A N 0.426 123.270 122.820 0.039 0.000 1.840 65 A HA -0.131 4.189 4.320 -0.001 0.000 0.214 65 A C 2.112 179.724 177.584 0.046 0.000 1.198 65 A CA 1.624 53.689 52.037 0.048 0.000 0.608 65 A CB -0.687 18.352 19.000 0.065 0.000 0.839 65 A HN 0.540 nan 8.150 nan 0.000 0.443 66 K N 0.220 120.644 120.400 0.040 0.000 2.015 66 K HA -0.272 4.047 4.320 -0.001 0.000 0.220 66 K C 2.159 178.780 176.600 0.036 0.000 1.055 66 K CA 2.290 58.594 56.287 0.029 0.000 0.951 66 K CB -0.469 32.045 32.500 0.024 0.000 0.725 66 K HN 0.420 nan 8.250 nan 0.000 0.449 67 R N 0.363 120.886 120.500 0.037 0.000 2.189 67 R HA 0.011 4.350 4.340 -0.001 0.000 0.223 67 R C 1.568 177.895 176.300 0.045 0.000 1.092 67 R CA 1.037 57.163 56.100 0.043 0.000 0.989 67 R CB -0.137 30.187 30.300 0.040 0.000 0.876 67 R HN 0.122 nan 8.270 nan 0.000 0.457 68 S N 0.609 116.329 115.700 0.034 0.000 2.803 68 S HA 0.075 4.545 4.470 -0.001 0.000 0.226 68 S C 0.327 174.966 174.600 0.065 0.000 0.962 68 S CA 0.188 58.398 58.200 0.017 0.000 0.968 68 S CB -0.159 63.038 63.200 -0.004 0.000 0.786 68 S HN 0.243 nan 8.310 nan 0.000 0.527 69 M N 0.962 120.620 119.600 0.097 0.000 2.283 69 M HA 0.480 4.960 4.480 -0.001 0.000 0.314 69 M C 0.210 176.596 176.300 0.145 0.000 1.153 69 M CA -0.345 55.068 55.300 0.188 0.000 1.084 69 M CB 1.016 33.729 32.600 0.188 0.000 1.468 69 M HN 0.173 nan 8.290 nan 0.000 0.474 70 A N 1.694 124.604 122.820 0.149 0.000 2.322 70 A HA 0.817 5.136 4.320 -0.001 0.000 0.327 70 A C -0.982 176.542 177.584 -0.100 0.000 1.134 70 A CA -0.680 51.283 52.037 -0.123 0.000 0.831 70 A CB 1.165 20.037 19.000 -0.214 0.000 1.288 70 A HN 0.783 nan 8.150 nan 0.000 0.472 71 K N 0.689 120.917 120.400 -0.286 0.000 2.588 71 K HA 0.384 4.703 4.320 -0.001 0.000 0.250 71 K C -1.504 175.009 176.600 -0.144 0.000 0.972 71 K CA -0.577 55.586 56.287 -0.206 0.000 0.821 71 K CB 2.114 34.369 32.500 -0.409 0.000 1.249 71 K HN 0.502 nan 8.250 nan 0.000 0.442 72 V N 3.788 123.679 119.914 -0.038 0.000 2.409 72 V HA 0.081 4.201 4.120 -0.001 0.000 0.270 72 V C 0.270 176.433 176.094 0.115 0.000 1.019 72 V CA 0.107 62.429 62.300 0.038 0.000 1.066 72 V CB -1.175 30.649 31.823 0.001 0.000 1.021 72 V HN 0.695 nan 8.190 nan 0.000 0.476 73 F N 3.771 123.704 119.950 -0.027 0.000 2.908 73 F HA 0.739 5.265 4.527 -0.001 0.000 0.328 73 F C -0.260 175.645 175.800 0.176 0.000 1.211 73 F CA -0.951 57.075 58.000 0.044 0.000 1.291 73 F CB -0.105 38.925 39.000 0.050 0.000 0.962 73 F HN 0.456 nan 8.300 nan 0.000 0.505 74 Y N 1.310 121.354 120.300 -0.427 0.000 2.601 74 Y HA 0.426 4.975 4.550 -0.001 0.000 0.354 74 Y C -2.633 173.137 175.900 -0.216 0.000 1.270 74 Y CA -1.654 56.212 58.100 -0.389 0.000 1.386 74 Y CB 0.967 39.041 38.460 -0.643 0.000 1.362 74 Y HN 0.132 nan 8.280 nan 0.000 0.504 75 L N 6.824 128.232 121.223 0.308 0.000 2.673 75 L HA 0.324 4.663 4.340 -0.001 0.000 0.255 75 L C -1.095 175.845 176.870 0.117 0.000 1.015 75 L CA -0.236 54.787 54.840 0.305 0.000 0.930 75 L CB 0.994 43.109 42.059 0.094 0.000 1.185 75 L HN 0.876 nan 8.230 nan 0.000 0.457 76 E N 3.297 123.638 120.200 0.235 0.000 2.446 76 E HA 0.415 4.765 4.350 -0.001 0.000 0.251 76 E C -1.138 175.593 176.600 0.219 0.000 1.087 76 E CA -0.789 55.624 56.400 0.022 0.000 0.937 76 E CB 1.946 31.598 29.700 -0.081 0.000 1.254 76 E HN 0.497 nan 8.360 nan 0.000 0.479 77 K N 0.523 121.002 120.400 0.132 0.000 2.110 77 K HA 0.154 4.474 4.320 -0.001 0.000 0.263 77 K C -1.184 175.369 176.600 -0.079 0.000 0.975 77 K CA -0.517 55.755 56.287 -0.025 0.000 0.895 77 K CB 0.920 33.327 32.500 -0.155 0.000 1.060 77 K HN 0.617 nan 8.250 nan 0.000 0.448 78 H N 1.949 120.802 119.070 -0.362 0.000 3.026 78 H HA 0.249 4.804 4.556 -0.001 0.000 0.352 78 H C -0.112 175.035 175.328 -0.302 0.000 1.090 78 H CA 0.604 56.504 56.048 -0.246 0.000 1.268 78 H CB 1.226 30.874 29.762 -0.190 0.000 1.816 78 H HN 0.941 nan 8.280 nan 0.000 0.518 79 G N 4.284 112.740 108.800 -0.573 0.000 2.622 79 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.272 79 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.272 79 G C 0.719 175.477 174.900 -0.237 0.000 1.308 79 G CA 0.467 45.362 45.100 -0.341 0.000 0.919 79 G HN 0.839 nan 8.290 nan 0.000 0.565 80 E N 1.434 121.579 120.200 -0.091 0.000 2.381 80 E HA 0.298 4.647 4.350 -0.001 0.000 0.198 80 E C 0.978 177.480 176.600 -0.162 0.000 1.204 80 E CA 1.272 57.612 56.400 -0.099 0.000 0.998 80 E CB -0.572 29.120 29.700 -0.013 0.000 1.080 80 E HN 1.560 nan 8.360 nan 0.000 0.481 81 G N -0.593 107.976 108.800 -0.386 0.000 2.827 81 G HA2 0.515 4.474 3.960 -0.001 0.000 0.202 81 G HA3 0.515 4.474 3.960 -0.001 0.000 0.202 81 G C -1.484 172.687 174.900 -1.215 0.000 1.185 81 G CA -0.708 44.048 45.100 -0.575 0.000 0.920 81 G HN 0.143 nan 8.290 nan 0.000 0.550 82 Y N -1.456 118.395 120.300 -0.748 0.000 2.655 82 Y HA 0.655 5.204 4.550 -0.001 0.000 0.336 82 Y C -0.819 174.720 175.900 -0.601 0.000 1.154 82 Y CA -1.178 56.553 58.100 -0.616 0.000 1.055 82 Y CB 2.107 40.152 38.460 -0.691 0.000 1.295 82 Y HN 0.207 nan 8.280 nan 0.000 0.465 83 I N 2.111 122.667 120.570 -0.024 0.000 2.328 83 I HA 0.532 4.702 4.170 -0.001 0.000 0.287 83 I C 0.303 176.532 176.117 0.187 0.000 1.012 83 I CA -0.732 60.566 61.300 -0.004 0.000 1.195 83 I CB 0.317 38.243 38.000 -0.124 0.000 1.350 83 I HN 0.774 nan 8.210 nan 0.000 0.464 84 A N 7.624 130.653 122.820 0.348 0.000 2.274 84 A HA 0.780 5.100 4.320 -0.001 0.000 0.297 84 A C -0.062 177.509 177.584 -0.021 0.000 1.191 84 A CA -0.525 51.654 52.037 0.236 0.000 0.889 84 A CB 0.999 20.143 19.000 0.241 0.000 1.294 84 A HN 0.604 nan 8.150 nan 0.000 0.506 85 K N 0.339 120.682 120.400 -0.095 0.000 2.581 85 K HA 0.489 4.808 4.320 -0.001 0.000 0.249 85 K C -1.744 174.937 176.600 0.135 0.000 0.966 85 K CA -0.066 56.151 56.287 -0.117 0.000 0.811 85 K CB 1.791 34.045 32.500 -0.409 0.000 1.223 85 K HN 0.585 nan 8.250 nan 0.000 0.438 86 I N 2.253 122.931 120.570 0.181 0.000 2.441 86 I HA 0.433 4.602 4.170 -0.001 0.000 0.295 86 I C -0.058 175.986 176.117 -0.121 0.000 0.994 86 I CA -0.870 60.447 61.300 0.030 0.000 1.144 86 I CB 1.903 39.849 38.000 -0.090 0.000 1.314 86 I HN 0.614 nan 8.210 nan 0.000 0.445 87 A N 6.263 128.910 122.820 -0.289 0.000 2.312 87 A HA 0.744 5.063 4.320 -0.001 0.000 0.326 87 A C -1.525 175.716 177.584 -0.573 0.000 1.172 87 A CA -0.262 51.496 52.037 -0.465 0.000 0.821 87 A CB 0.587 19.138 19.000 -0.748 0.000 1.166 87 A HN 0.593 nan 8.150 nan 0.000 0.493 88 Y N 2.028 122.323 120.300 -0.009 0.000 2.338 88 Y HA 0.443 4.992 4.550 -0.001 0.000 0.333 88 Y C -2.247 173.735 175.900 0.136 0.000 0.968 88 Y CA -2.587 55.571 58.100 0.096 0.000 1.123 88 Y CB 2.058 40.681 38.460 0.273 0.000 1.165 88 Y HN 0.501 nan 8.280 nan 0.000 0.452 89 P HA 0.097 nan 4.420 nan 0.000 0.276 89 P C 0.180 177.600 177.300 0.200 0.000 1.243 89 P CA -0.108 63.095 63.100 0.172 0.000 0.768 89 P CB 1.136 32.902 31.700 0.110 0.000 0.856 90 L N 3.280 124.643 121.223 0.233 0.000 3.694 90 L HA -0.047 4.292 4.340 -0.001 0.000 0.273 90 L C 1.000 177.933 176.870 0.105 0.000 1.258 90 L CA 0.812 55.822 54.840 0.285 0.000 0.993 90 L CB -1.670 40.558 42.059 0.282 0.000 1.392 90 L HN 0.485 nan 8.230 nan 0.000 0.406 91 T N -4.804 109.731 114.554 -0.031 0.000 3.085 91 T HA 0.230 4.579 4.350 -0.001 0.000 0.264 91 T C 1.294 175.894 174.700 -0.166 0.000 1.019 91 T CA -0.218 61.853 62.100 -0.049 0.000 0.910 91 T CB 0.400 69.255 68.868 -0.022 0.000 1.059 91 T HN 0.267 nan 8.240 nan 0.000 0.542 92 L N -0.621 120.369 121.223 -0.389 0.000 2.731 92 L HA 0.504 4.843 4.340 -0.001 0.000 0.240 92 L C -0.319 175.958 176.870 -0.989 0.000 1.120 92 L CA -0.019 54.404 54.840 -0.695 0.000 0.913 92 L CB 0.393 41.876 42.059 -0.960 0.000 1.213 92 L HN 0.192 nan 8.230 nan 0.000 0.515 93 F N -0.293 119.669 119.950 0.020 0.000 2.671 93 F HA 0.368 4.895 4.527 -0.001 0.000 0.373 93 F C 0.353 176.201 175.800 0.079 0.000 1.122 93 F CA -1.206 56.816 58.000 0.037 0.000 1.082 93 F CB 0.856 39.890 39.000 0.055 0.000 1.399 93 F HN -0.203 nan 8.300 nan 0.000 0.509 94 E N 0.218 120.602 120.200 0.308 0.000 2.216 94 E HA 0.348 4.697 4.350 -0.001 0.000 0.260 94 E C -1.262 175.463 176.600 0.208 0.000 0.880 94 E CA -0.721 55.778 56.400 0.165 0.000 0.765 94 E CB 1.100 30.863 29.700 0.106 0.000 1.174 94 E HN 0.621 nan 8.360 nan 0.000 0.417 95 E N 2.833 123.098 120.200 0.107 0.000 2.435 95 E HA 0.274 4.623 4.350 -0.001 0.000 0.254 95 E C 0.948 177.437 176.600 -0.185 0.000 1.289 95 E CA -0.247 56.066 56.400 -0.144 0.000 0.983 95 E CB 0.300 29.631 29.700 -0.616 0.000 1.010 95 E HN 0.858 nan 8.360 nan 0.000 0.509 96 G N 0.726 109.330 108.800 -0.326 0.000 3.718 96 G HA2 -0.426 3.533 3.960 -0.001 0.000 0.224 96 G HA3 -0.426 3.533 3.960 -0.001 0.000 0.224 96 G C 0.740 175.499 174.900 -0.236 0.000 1.328 96 G CA 0.735 45.625 45.100 -0.349 0.000 0.974 96 G HN 0.649 nan 8.290 nan 0.000 0.579 97 S N 1.395 117.087 115.700 -0.013 0.000 2.686 97 S HA 0.441 4.910 4.470 -0.001 0.000 0.324 97 S C 1.626 176.300 174.600 0.124 0.000 1.172 97 S CA 0.572 58.794 58.200 0.036 0.000 1.127 97 S CB 0.093 63.322 63.200 0.049 0.000 1.338 97 S HN 1.008 nan 8.310 nan 0.000 0.547 98 L N 6.118 127.414 121.223 0.122 0.000 2.093 98 L HA -0.001 4.338 4.340 -0.001 0.000 0.208 98 L C 1.798 178.458 176.870 -0.351 0.000 1.085 98 L CA 1.378 56.188 54.840 -0.049 0.000 0.755 98 L CB -0.326 41.662 42.059 -0.119 0.000 0.904 98 L HN 0.527 nan 8.230 nan 0.000 0.435 99 V N 0.530 120.289 119.914 -0.258 0.000 2.453 99 V HA -0.323 3.797 4.120 -0.001 0.000 0.252 99 V C 2.682 178.737 176.094 -0.065 0.000 1.068 99 V CA 2.206 64.385 62.300 -0.201 0.000 1.070 99 V CB -0.878 30.934 31.823 -0.018 0.000 0.664 99 V HN 0.658 nan 8.190 nan 0.000 0.461 100 Q N -0.327 119.477 119.800 0.008 0.000 1.994 100 Q HA -0.170 4.170 4.340 -0.001 0.000 0.198 100 Q C 2.307 178.372 176.000 0.108 0.000 0.976 100 Q CA 1.753 57.601 55.803 0.075 0.000 0.828 100 Q CB -0.449 28.347 28.738 0.096 0.000 0.894 100 Q HN 0.494 nan 8.270 nan 0.000 0.432 101 L N 1.046 122.343 121.223 0.123 0.000 2.056 101 L HA -0.288 4.051 4.340 -0.001 0.000 0.237 101 L C 2.296 179.243 176.870 0.128 0.000 1.106 101 L CA 2.394 57.254 54.840 0.033 0.000 0.829 101 L CB -1.449 40.482 42.059 -0.213 0.000 0.924 101 L HN 0.245 nan 8.230 nan 0.000 0.447 102 F N -0.205 119.590 119.950 -0.258 0.000 2.091 102 F HA -0.245 4.281 4.527 -0.001 0.000 0.299 102 F C 2.924 178.673 175.800 -0.084 0.000 1.103 102 F CA 1.559 59.443 58.000 -0.193 0.000 1.228 102 F CB -1.605 37.290 39.000 -0.174 0.000 0.984 102 F HN 0.157 nan 8.300 nan 0.000 0.477 103 S N -0.655 115.143 115.700 0.164 0.000 2.413 103 S HA -0.262 4.208 4.470 -0.001 0.000 0.237 103 S C 2.139 176.756 174.600 0.030 0.000 1.044 103 S CA 1.166 59.424 58.200 0.096 0.000 1.024 103 S CB -0.469 62.776 63.200 0.076 0.000 0.829 103 S HN 0.406 nan 8.310 nan 0.000 0.475 104 A N 0.267 123.093 122.820 0.011 0.000 1.859 104 A HA 0.152 4.471 4.320 -0.001 0.000 0.212 104 A C 1.757 179.268 177.584 -0.120 0.000 1.238 104 A CA 0.938 52.944 52.037 -0.052 0.000 0.613 104 A CB -0.594 18.373 19.000 -0.054 0.000 0.904 104 A HN 0.744 nan 8.150 nan 0.000 0.457 105 V N -3.528 116.278 119.914 -0.180 0.000 3.292 105 V HA 0.663 4.782 4.120 -0.001 0.000 0.372 105 V C 0.452 176.334 176.094 -0.353 0.000 1.249 105 V CA 0.740 62.894 62.300 -0.243 0.000 1.378 105 V CB -0.670 30.949 31.823 -0.341 0.000 1.245 105 V HN 0.998 nan 8.190 nan 0.000 0.467 106 A N -1.032 121.600 122.820 -0.313 0.000 2.405 106 A HA 0.632 4.951 4.320 -0.001 0.000 0.224 106 A C 1.095 178.632 177.584 -0.078 0.000 1.245 106 A CA 0.326 52.158 52.037 -0.342 0.000 1.203 106 A CB -0.553 18.271 19.000 -0.293 0.000 1.108 106 A HN 0.790 nan 8.150 nan 0.000 0.451 107 G N 0.954 109.699 108.800 -0.092 0.000 2.832 107 G HA2 0.154 4.113 3.960 -0.001 0.000 0.187 107 G HA3 0.154 4.113 3.960 -0.001 0.000 0.187 107 G C 0.755 175.706 174.900 0.085 0.000 1.817 107 G CA 0.836 45.957 45.100 0.035 0.000 0.896 107 G HN 0.292 nan 8.290 nan 0.000 0.453 108 N N -0.299 118.418 118.700 0.028 0.000 2.446 108 N HA 0.031 4.771 4.740 -0.001 0.000 0.179 108 N C 2.009 177.528 175.510 0.016 0.000 1.054 108 N CA 0.039 53.118 53.050 0.049 0.000 0.905 108 N CB 0.140 38.642 38.487 0.025 0.000 0.973 108 N HN 0.115 nan 8.380 nan 0.000 0.448 109 V N 0.538 120.398 119.914 -0.091 0.000 2.250 109 V HA -0.242 3.877 4.120 -0.001 0.000 0.250 109 V C 1.265 177.271 176.094 -0.146 0.000 1.060 109 V CA 1.606 63.771 62.300 -0.225 0.000 1.030 109 V CB -0.533 31.064 31.823 -0.376 0.000 0.643 109 V HN 0.310 nan 8.190 nan 0.000 0.445 110 F N -0.041 119.873 119.950 -0.060 0.000 2.724 110 F HA 0.025 4.551 4.527 -0.001 0.000 0.297 110 F C 1.815 177.663 175.800 0.080 0.000 1.200 110 F CA 0.327 58.320 58.000 -0.011 0.000 1.468 110 F CB -0.308 38.731 39.000 0.066 0.000 1.116 110 F HN 0.312 nan 8.300 nan 0.000 0.599 111 G N -0.690 108.238 108.800 0.213 0.000 2.834 111 G HA2 0.121 4.080 3.960 -0.001 0.000 0.198 111 G HA3 0.121 4.080 3.960 -0.001 0.000 0.198 111 G C 0.602 175.564 174.900 0.104 0.000 1.070 111 G CA -0.405 44.789 45.100 0.157 0.000 0.771 111 G HN 0.034 nan 8.290 nan 0.000 0.601 112 M N 1.761 121.397 119.600 0.060 0.000 2.213 112 M HA -0.134 4.345 4.480 -0.001 0.000 0.467 112 M C 1.282 177.602 176.300 0.034 0.000 1.377 112 M CA -0.032 55.281 55.300 0.021 0.000 0.727 112 M CB 0.502 33.082 32.600 -0.032 0.000 1.983 112 M HN 0.124 nan 8.290 nan 0.000 0.539 113 K N 3.550 123.966 120.400 0.027 0.000 1.991 113 K HA -0.116 4.203 4.320 -0.001 0.000 0.212 113 K C 1.862 178.476 176.600 0.024 0.000 1.049 113 K CA 1.890 58.195 56.287 0.031 0.000 0.932 113 K CB -1.011 31.502 32.500 0.022 0.000 0.717 113 K HN 0.810 nan 8.250 nan 0.000 0.441 114 A N 1.007 123.821 122.820 -0.010 0.000 2.330 114 A HA 0.000 4.319 4.320 -0.001 0.000 0.207 114 A C 0.109 177.711 177.584 0.029 0.000 1.261 114 A CA 0.874 52.905 52.037 -0.010 0.000 0.753 114 A CB -1.195 17.763 19.000 -0.070 0.000 0.754 114 A HN 0.234 nan 8.150 nan 0.000 0.512 115 L N -2.866 118.392 121.223 0.058 0.000 2.354 115 L HA 0.431 4.770 4.340 -0.001 0.000 0.264 115 L C 1.019 177.977 176.870 0.146 0.000 1.008 115 L CA -0.706 54.207 54.840 0.120 0.000 0.819 115 L CB 1.785 43.904 42.059 0.101 0.000 1.339 115 L HN -0.012 nan 8.230 nan 0.000 0.420 116 K N 0.151 120.661 120.400 0.184 0.000 2.190 116 K HA 0.224 4.543 4.320 -0.001 0.000 0.202 116 K C 0.102 176.841 176.600 0.232 0.000 1.045 116 K CA 0.479 56.870 56.287 0.173 0.000 0.976 116 K CB 0.403 33.001 32.500 0.163 0.000 0.849 116 K HN 0.517 nan 8.250 nan 0.000 0.468 117 N N -0.250 118.608 118.700 0.262 0.000 2.455 117 N HA 0.386 5.125 4.740 -0.001 0.000 0.278 117 N C -2.113 173.507 175.510 0.184 0.000 1.291 117 N CA -0.608 52.616 53.050 0.290 0.000 0.780 117 N CB 1.989 40.611 38.487 0.224 0.000 1.520 117 N HN -0.108 nan 8.380 nan 0.000 0.486 118 L N 0.616 121.786 121.223 -0.089 0.000 2.614 118 L HA 0.502 4.842 4.340 -0.001 0.000 0.264 118 L C -1.387 175.538 176.870 0.091 0.000 0.940 118 L CA -0.278 54.590 54.840 0.048 0.000 0.903 118 L CB 1.231 43.268 42.059 -0.036 0.000 1.306 118 L HN 0.569 nan 8.230 nan 0.000 0.410 119 R N 4.354 125.020 120.500 0.276 0.000 2.670 119 R HA 0.560 4.899 4.340 -0.001 0.000 0.289 119 R C -1.610 174.889 176.300 0.332 0.000 0.965 119 R CA -0.936 55.327 56.100 0.272 0.000 0.899 119 R CB 1.946 32.337 30.300 0.151 0.000 1.173 119 R HN 0.654 nan 8.270 nan 0.000 0.456 120 L N 5.726 127.113 121.223 0.272 0.000 2.278 120 L HA 0.106 4.445 4.340 -0.001 0.000 0.287 120 L C 0.267 177.140 176.870 0.004 0.000 1.072 120 L CA 0.058 54.948 54.840 0.084 0.000 0.819 120 L CB 1.182 43.222 42.059 -0.032 0.000 1.176 120 L HN 0.740 nan 8.230 nan 0.000 0.435 121 L N 3.904 125.084 121.223 -0.071 0.000 2.145 121 L HA 0.257 4.597 4.340 -0.001 0.000 0.201 121 L C 0.747 177.525 176.870 -0.153 0.000 1.075 121 L CA 1.074 55.872 54.840 -0.071 0.000 0.773 121 L CB -0.402 41.629 42.059 -0.046 0.000 0.936 121 L HN 0.661 nan 8.230 nan 0.000 0.451 122 D N -2.324 117.938 120.400 -0.230 0.000 2.692 122 D HA 0.373 5.012 4.640 -0.001 0.000 0.290 122 D C -1.657 174.403 176.300 -0.399 0.000 1.281 122 D CA -0.503 53.260 54.000 -0.395 0.000 0.804 122 D CB 1.631 42.212 40.800 -0.365 0.000 1.331 122 D HN -0.185 nan 8.370 nan 0.000 0.432 123 F N -0.808 118.819 119.950 -0.538 0.000 2.650 123 F HA 0.633 5.159 4.527 -0.001 0.000 0.310 123 F C -1.664 173.620 175.800 -0.859 0.000 1.112 123 F CA -0.880 56.818 58.000 -0.503 0.000 0.986 123 F CB 1.053 39.836 39.000 -0.361 0.000 1.285 123 F HN 0.139 nan 8.300 nan 0.000 0.440 124 H N 1.144 120.229 119.070 0.026 0.000 2.547 124 H HA 0.598 5.153 4.556 -0.001 0.000 0.342 124 H C -2.950 172.476 175.328 0.164 0.000 1.048 124 H CA -2.625 53.488 56.048 0.108 0.000 1.204 124 H CB 1.713 31.518 29.762 0.070 0.000 1.493 124 H HN 0.390 nan 8.280 nan 0.000 0.511 125 P HA 0.160 nan 4.420 nan 0.000 0.292 125 P C -2.592 174.857 177.300 0.248 0.000 1.326 125 P CA -1.854 61.373 63.100 0.212 0.000 0.787 125 P CB 0.648 32.491 31.700 0.240 0.000 0.903 126 P HA -0.125 nan 4.420 nan 0.000 0.261 126 P C 0.797 178.270 177.300 0.289 0.000 1.183 126 P CA 0.176 63.411 63.100 0.225 0.000 0.761 126 P CB 0.475 32.291 31.700 0.193 0.000 0.785 127 Y N 3.677 124.059 120.300 0.137 0.000 1.782 127 Y HA -0.389 4.161 4.550 -0.001 0.000 0.187 127 Y C 2.309 178.302 175.900 0.154 0.000 1.078 127 Y CA 2.764 60.941 58.100 0.129 0.000 0.905 127 Y CB -1.244 37.285 38.460 0.115 0.000 0.749 127 Y HN 0.373 nan 8.280 nan 0.000 0.580 128 E N -1.581 118.853 120.200 0.391 0.000 2.477 128 E HA -0.308 4.041 4.350 -0.001 0.000 0.223 128 E C 1.635 178.302 176.600 0.112 0.000 1.118 128 E CA 1.841 58.392 56.400 0.252 0.000 0.875 128 E CB -0.678 29.158 29.700 0.227 0.000 0.758 128 E HN 0.772 nan 8.360 nan 0.000 0.491 129 Y N -1.522 118.765 120.300 -0.020 0.000 2.539 129 Y HA 0.167 4.716 4.550 -0.001 0.000 0.284 129 Y C 1.861 177.696 175.900 -0.108 0.000 1.134 129 Y CA 0.460 58.479 58.100 -0.134 0.000 1.251 129 Y CB -0.093 38.291 38.460 -0.126 0.000 1.260 129 Y HN 0.086 nan 8.280 nan 0.000 0.528 130 L N 1.760 122.962 121.223 -0.035 0.000 2.313 130 L HA 0.013 4.352 4.340 -0.001 0.000 0.214 130 L C 2.166 179.031 176.870 -0.008 0.000 1.119 130 L CA 1.113 55.857 54.840 -0.160 0.000 0.809 130 L CB -0.453 41.443 42.059 -0.272 0.000 0.933 130 L HN 0.252 nan 8.230 nan 0.000 0.449 131 R N -2.014 118.452 120.500 -0.056 0.000 2.346 131 R HA -0.071 4.268 4.340 -0.001 0.000 0.199 131 R C -0.009 176.297 176.300 0.011 0.000 1.015 131 R CA 0.657 56.663 56.100 -0.157 0.000 1.058 131 R CB -0.748 29.262 30.300 -0.483 0.000 0.921 131 R HN 0.424 nan 8.270 nan 0.000 0.475 132 H N -0.217 118.823 119.070 -0.050 0.000 2.472 132 H HA 0.346 4.901 4.556 -0.001 0.000 0.287 132 H C -1.438 173.850 175.328 -0.067 0.000 1.112 132 H CA -0.376 55.613 56.048 -0.098 0.000 1.021 132 H CB -0.001 29.658 29.762 -0.172 0.000 1.635 132 H HN 0.037 nan 8.280 nan 0.000 0.559 133 F N -0.543 119.390 119.950 -0.028 0.000 2.591 133 F HA 0.293 4.820 4.527 -0.001 0.000 0.309 133 F C 0.802 176.615 175.800 0.022 0.000 1.098 133 F CA -1.297 56.673 58.000 -0.050 0.000 0.937 133 F CB 1.931 40.863 39.000 -0.114 0.000 1.250 133 F HN -0.150 nan 8.300 nan 0.000 0.447 134 K N 1.460 121.904 120.400 0.074 0.000 2.426 134 K HA 0.388 4.707 4.320 -0.001 0.000 0.193 134 K C 0.943 177.609 176.600 0.111 0.000 1.028 134 K CA 0.443 56.774 56.287 0.073 0.000 1.047 134 K CB -0.018 32.479 32.500 -0.006 0.000 0.821 134 K HN 0.880 nan 8.250 nan 0.000 0.513 135 G N 1.761 110.622 108.800 0.102 0.000 2.750 135 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.228 135 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.228 135 G C -2.775 172.190 174.900 0.107 0.000 1.367 135 G CA -1.058 44.078 45.100 0.060 0.000 0.871 135 G HN -0.072 nan 8.290 nan 0.000 0.560 136 P HA 0.238 nan 4.420 nan 0.000 0.274 136 P C 0.502 177.898 177.300 0.160 0.000 1.256 136 P CA -0.027 63.169 63.100 0.161 0.000 0.795 136 P CB 0.754 32.553 31.700 0.166 0.000 1.038 137 Q N -0.070 119.878 119.800 0.248 0.000 2.378 137 Q HA 0.115 4.454 4.340 -0.001 0.000 0.216 137 Q C 0.475 176.603 176.000 0.214 0.000 0.892 137 Q CA 0.852 56.787 55.803 0.221 0.000 0.931 137 Q CB 0.083 28.972 28.738 0.251 0.000 1.086 137 Q HN 0.441 nan 8.270 nan 0.000 0.528 138 F N -0.746 119.246 119.950 0.069 0.000 2.640 138 F HA 0.331 4.857 4.527 -0.001 0.000 0.285 138 F C 1.358 177.171 175.800 0.020 0.000 1.031 138 F CA 0.232 58.270 58.000 0.062 0.000 1.240 138 F CB 0.721 39.775 39.000 0.091 0.000 1.011 138 F HN 0.215 nan 8.300 nan 0.000 0.656 139 G N 1.011 109.976 108.800 0.274 0.000 2.641 139 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.254 139 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.254 139 G C 0.580 175.517 174.900 0.062 0.000 1.315 139 G CA -0.178 44.998 45.100 0.126 0.000 0.907 139 G HN 0.057 nan 8.290 nan 0.000 0.572 140 V N 0.801 120.646 119.914 -0.115 0.000 2.970 140 V HA -0.093 4.026 4.120 -0.001 0.000 0.260 140 V C 2.738 178.704 176.094 -0.214 0.000 1.100 140 V CA 2.562 64.609 62.300 -0.421 0.000 1.122 140 V CB -0.124 31.271 31.823 -0.713 0.000 0.721 140 V HN 0.587 nan 8.190 nan 0.000 0.483 141 Q N 0.814 120.563 119.800 -0.084 0.000 1.984 141 Q HA 0.015 4.354 4.340 -0.001 0.000 0.196 141 Q C 2.450 178.454 176.000 0.006 0.000 0.975 141 Q CA 1.887 57.667 55.803 -0.038 0.000 0.827 141 Q CB -1.187 27.535 28.738 -0.027 0.000 0.894 141 Q HN 0.541 nan 8.270 nan 0.000 0.438 142 G N 1.396 110.239 108.800 0.070 0.000 2.545 142 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.217 142 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.217 142 G C 1.620 176.510 174.900 -0.016 0.000 1.218 142 G CA 1.011 46.221 45.100 0.182 0.000 0.787 142 G HN 0.317 nan 8.290 nan 0.000 0.571 143 I N 0.298 120.714 120.570 -0.256 0.000 2.143 143 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 143 I C 2.906 178.628 176.117 -0.658 0.000 1.068 143 I CA 1.731 62.468 61.300 -0.939 0.000 1.326 143 I CB -0.237 37.625 38.000 -0.231 0.000 1.028 143 I HN 0.144 nan 8.210 nan 0.000 0.412 144 R N 0.403 120.811 120.500 -0.154 0.000 2.148 144 R HA -0.193 4.147 4.340 -0.001 0.000 0.227 144 R C 2.137 178.434 176.300 -0.006 0.000 1.103 144 R CA 1.365 57.458 56.100 -0.012 0.000 0.983 144 R CB -0.026 30.305 30.300 0.051 0.000 0.874 144 R HN 0.436 nan 8.270 nan 0.000 0.451 145 E N -0.325 119.868 120.200 -0.011 0.000 2.021 145 E HA -0.164 4.185 4.350 -0.001 0.000 0.189 145 E C 1.782 178.481 176.600 0.165 0.000 0.980 145 E CA 1.336 57.786 56.400 0.084 0.000 0.803 145 E CB -0.193 29.581 29.700 0.123 0.000 0.766 145 E HN 0.420 nan 8.360 nan 0.000 0.449 146 F N -0.039 119.990 119.950 0.132 0.000 2.134 146 F HA -0.128 4.398 4.527 -0.001 0.000 0.299 146 F C 2.182 178.044 175.800 0.102 0.000 1.097 146 F CA 0.692 58.761 58.000 0.116 0.000 1.264 146 F CB -0.431 38.647 39.000 0.130 0.000 1.001 146 F HN -0.060 nan 8.300 nan 0.000 0.479 147 M N 0.608 120.442 119.600 0.390 0.000 2.254 147 M HA 0.192 4.671 4.480 -0.001 0.000 0.265 147 M C 1.840 178.249 176.300 0.182 0.000 1.066 147 M CA 1.500 56.985 55.300 0.309 0.000 1.123 147 M CB -0.991 31.751 32.600 0.236 0.000 1.388 147 M HN 0.623 nan 8.290 nan 0.000 0.425 148 G N 0.460 109.341 108.800 0.136 0.000 2.159 148 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.170 148 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.170 148 G C -0.167 174.785 174.900 0.086 0.000 1.007 148 G CA -0.359 44.806 45.100 0.108 0.000 0.672 148 G HN 0.284 nan 8.290 nan 0.000 0.507 149 V N 1.914 121.880 119.914 0.087 0.000 2.313 149 V HA 0.390 4.509 4.120 -0.001 0.000 0.278 149 V C 1.281 177.425 176.094 0.083 0.000 1.017 149 V CA 0.142 62.492 62.300 0.083 0.000 0.823 149 V CB 1.088 32.966 31.823 0.091 0.000 1.010 149 V HN 0.564 nan 8.190 nan 0.000 0.443 150 K N 1.983 122.424 120.400 0.067 0.000 2.067 150 K HA 0.030 4.349 4.320 -0.001 0.000 0.203 150 K C 0.983 177.620 176.600 0.062 0.000 1.048 150 K CA 1.110 57.431 56.287 0.058 0.000 0.954 150 K CB 0.266 32.792 32.500 0.044 0.000 0.737 150 K HN 0.508 nan 8.250 nan 0.000 0.444 151 D N 0.744 121.180 120.400 0.061 0.000 2.527 151 D HA 0.014 4.653 4.640 -0.001 0.000 0.249 151 D C 0.444 176.794 176.300 0.083 0.000 1.029 151 D CA 0.172 54.210 54.000 0.064 0.000 0.951 151 D CB 0.179 41.009 40.800 0.050 0.000 1.093 151 D HN 0.165 nan 8.370 nan 0.000 0.464 152 R N 0.584 121.130 120.500 0.077 0.000 3.160 152 R HA 0.086 4.425 4.340 -0.001 0.000 0.289 152 R C -2.213 174.151 176.300 0.106 0.000 1.014 152 R CA -0.438 55.710 56.100 0.079 0.000 1.188 152 R CB -1.490 28.847 30.300 0.062 0.000 1.177 152 R HN 0.073 nan 8.270 nan 0.000 0.523 153 P HA 0.317 nan 4.420 nan 0.000 0.284 153 P C -0.697 176.629 177.300 0.043 0.000 1.287 153 P CA -0.742 62.423 63.100 0.108 0.000 0.824 153 P CB 0.709 32.460 31.700 0.085 0.000 1.180 154 L N 0.553 121.753 121.223 -0.039 0.000 2.307 154 L HA 0.444 4.783 4.340 -0.001 0.000 0.282 154 L C 0.319 177.149 176.870 -0.067 0.000 1.051 154 L CA -0.298 54.490 54.840 -0.086 0.000 0.804 154 L CB 1.205 43.111 42.059 -0.256 0.000 1.197 154 L HN 0.432 nan 8.230 nan 0.000 0.431 155 T N 0.369 114.903 114.554 -0.033 0.000 2.824 155 T HA 0.840 5.189 4.350 -0.001 0.000 0.280 155 T C -0.467 174.209 174.700 -0.039 0.000 0.995 155 T CA -0.761 61.320 62.100 -0.032 0.000 1.009 155 T CB 2.155 71.012 68.868 -0.019 0.000 0.955 155 T HN 0.731 nan 8.240 nan 0.000 0.452 156 A N 2.165 124.954 122.820 -0.052 0.000 2.566 156 A HA 0.716 5.035 4.320 -0.001 0.000 0.297 156 A C -0.469 177.070 177.584 -0.074 0.000 1.059 156 A CA -1.015 50.983 52.037 -0.066 0.000 0.691 156 A CB 1.457 20.419 19.000 -0.062 0.000 1.282 156 A HN 0.843 nan 8.150 nan 0.000 0.401 157 T N 1.472 115.961 114.554 -0.108 0.000 2.809 157 T HA 0.553 4.902 4.350 -0.001 0.000 0.284 157 T C -0.449 174.176 174.700 -0.124 0.000 0.992 157 T CA -0.443 61.583 62.100 -0.123 0.000 0.957 157 T CB 1.292 70.052 68.868 -0.180 0.000 0.942 157 T HN 0.601 nan 8.240 nan 0.000 0.439 158 V N 5.672 125.544 119.914 -0.070 0.000 2.539 158 V HA 0.429 4.548 4.120 -0.001 0.000 0.292 158 V C -2.144 173.906 176.094 -0.073 0.000 1.045 158 V CA -2.112 60.167 62.300 -0.034 0.000 0.945 158 V CB 1.373 33.218 31.823 0.036 0.000 0.993 158 V HN 0.688 nan 8.190 nan 0.000 0.464 159 P HA 0.412 nan 4.420 nan 0.000 0.284 159 P C -0.994 176.385 177.300 0.132 0.000 1.253 159 P CA -0.680 62.359 63.100 -0.101 0.000 0.800 159 P CB 0.825 32.270 31.700 -0.425 0.000 0.961 160 K N 3.297 123.786 120.400 0.148 0.000 2.182 160 K HA 0.456 4.775 4.320 -0.001 0.000 0.262 160 K C -2.149 174.561 176.600 0.183 0.000 0.957 160 K CA -2.126 54.237 56.287 0.127 0.000 0.842 160 K CB 0.843 33.372 32.500 0.048 0.000 1.099 160 K HN 0.398 nan 8.250 nan 0.000 0.438 161 P HA 0.025 nan 4.420 nan 0.000 0.273 161 P C -0.707 176.659 177.300 0.109 0.000 1.250 161 P CA -0.167 62.907 63.100 -0.044 0.000 0.793 161 P CB 0.527 32.082 31.700 -0.242 0.000 1.011 162 K N -0.188 120.239 120.400 0.044 0.000 2.437 162 K HA 0.233 4.552 4.320 -0.001 0.000 0.198 162 K C 0.713 177.306 176.600 -0.011 0.000 1.024 162 K CA 0.194 56.527 56.287 0.076 0.000 1.148 162 K CB -0.066 32.477 32.500 0.073 0.000 0.860 162 K HN 0.326 nan 8.250 nan 0.000 0.515 163 M N -1.754 117.799 119.600 -0.079 0.000 3.693 163 M HA 0.277 4.756 4.480 -0.001 0.000 0.313 163 M C 0.382 176.618 176.300 -0.105 0.000 1.498 163 M CA -0.248 55.017 55.300 -0.058 0.000 0.845 163 M CB 0.402 33.043 32.600 0.068 0.000 1.920 163 M HN 0.099 nan 8.290 nan 0.000 0.471 164 G N 0.168 109.012 108.800 0.073 0.000 2.230 164 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.270 164 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.270 164 G C -0.449 174.353 174.900 -0.164 0.000 0.987 164 G CA 0.896 45.839 45.100 -0.262 0.000 0.664 164 G HN 0.601 nan 8.290 nan 0.000 0.539 165 W N 1.211 122.588 121.300 0.129 0.000 2.148 165 W HA 0.481 5.140 4.660 -0.001 0.000 0.347 165 W C 1.200 177.978 176.519 0.433 0.000 1.288 165 W CA 0.203 57.687 57.345 0.232 0.000 1.252 165 W CB 0.459 30.160 29.460 0.401 0.000 1.156 165 W HN 0.444 nan 8.180 nan 0.000 0.580 166 S N -0.035 116.020 115.700 0.592 0.000 2.722 166 S HA 0.345 4.814 4.470 -0.001 0.000 0.292 166 S C 0.563 175.423 174.600 0.433 0.000 1.135 166 S CA -0.682 57.815 58.200 0.495 0.000 1.003 166 S CB 1.268 64.651 63.200 0.305 0.000 1.067 166 S HN 0.359 nan 8.310 nan 0.000 0.546 167 V N 0.621 120.716 119.914 0.301 0.000 2.392 167 V HA -0.102 4.018 4.120 -0.001 0.000 0.249 167 V C 2.734 178.939 176.094 0.186 0.000 1.059 167 V CA 2.170 64.579 62.300 0.182 0.000 1.051 167 V CB -1.312 30.575 31.823 0.106 0.000 0.658 167 V HN 0.878 nan 8.190 nan 0.000 0.455 168 E N 0.926 121.239 120.200 0.190 0.000 2.004 168 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 168 E C 2.225 178.936 176.600 0.185 0.000 0.985 168 E CA 1.406 57.898 56.400 0.154 0.000 0.832 168 E CB -0.542 29.232 29.700 0.123 0.000 0.787 168 E HN 0.639 nan 8.360 nan 0.000 0.466 169 E N -0.537 119.807 120.200 0.239 0.000 2.245 169 E HA -0.293 4.056 4.350 -0.001 0.000 0.217 169 E C 2.114 178.844 176.600 0.216 0.000 1.069 169 E CA 1.806 58.390 56.400 0.307 0.000 0.877 169 E CB -0.478 29.505 29.700 0.472 0.000 0.757 169 E HN 0.320 nan 8.360 nan 0.000 0.464 170 Y N 0.505 120.848 120.300 0.072 0.000 2.114 170 Y HA -0.258 4.291 4.550 -0.001 0.000 0.284 170 Y C 2.459 178.228 175.900 -0.219 0.000 1.143 170 Y CA 1.665 59.649 58.100 -0.193 0.000 1.135 170 Y CB -0.499 37.919 38.460 -0.071 0.000 0.980 170 Y HN 0.049 nan 8.280 nan 0.000 0.499 171 A N 0.181 123.048 122.820 0.079 0.000 1.873 171 A HA -0.308 4.011 4.320 -0.001 0.000 0.218 171 A C 2.096 179.662 177.584 -0.029 0.000 1.193 171 A CA 2.233 54.283 52.037 0.021 0.000 0.629 171 A CB -1.005 18.033 19.000 0.064 0.000 0.826 171 A HN 0.617 nan 8.150 nan 0.000 0.447 172 E N -1.039 119.157 120.200 -0.005 0.000 2.114 172 E HA -0.205 4.144 4.350 -0.001 0.000 0.199 172 E C 1.845 178.427 176.600 -0.030 0.000 1.008 172 E CA 1.339 57.749 56.400 0.017 0.000 0.810 172 E CB -0.215 29.506 29.700 0.035 0.000 0.739 172 E HN 0.631 nan 8.360 nan 0.000 0.456 173 I N 0.072 120.510 120.570 -0.220 0.000 2.876 173 I HA -0.055 4.114 4.170 -0.001 0.000 0.264 173 I C 1.971 177.794 176.117 -0.490 0.000 1.204 173 I CA 0.637 61.733 61.300 -0.340 0.000 1.485 173 I CB -0.430 37.277 38.000 -0.488 0.000 1.103 173 I HN -0.053 nan 8.210 nan 0.000 0.446 174 A N 0.613 123.100 122.820 -0.555 0.000 1.832 174 A HA -0.295 4.024 4.320 -0.001 0.000 0.214 174 A C 2.257 179.571 177.584 -0.450 0.000 1.200 174 A CA 1.590 53.170 52.037 -0.761 0.000 0.610 174 A CB -1.534 17.030 19.000 -0.727 0.000 0.842 174 A HN 0.525 nan 8.150 nan 0.000 0.444 175 Y N 0.791 120.991 120.300 -0.166 0.000 2.172 175 Y HA -0.328 4.221 4.550 -0.001 0.000 0.280 175 Y C 2.403 178.285 175.900 -0.031 0.000 1.209 175 Y CA 2.446 60.561 58.100 0.025 0.000 1.171 175 Y CB 0.078 38.544 38.460 0.011 0.000 0.965 175 Y HN 0.381 nan 8.280 nan 0.000 0.520 176 E N -0.005 120.038 120.200 -0.261 0.000 2.076 176 E HA -0.154 4.195 4.350 -0.001 0.000 0.190 176 E C 2.376 178.795 176.600 -0.302 0.000 0.979 176 E CA 1.029 57.262 56.400 -0.278 0.000 0.807 176 E CB -0.422 29.199 29.700 -0.131 0.000 0.761 176 E HN 0.542 nan 8.360 nan 0.000 0.454 177 L N -0.176 120.839 121.223 -0.346 0.000 2.012 177 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 177 L C 2.535 179.226 176.870 -0.298 0.000 1.073 177 L CA 1.172 55.796 54.840 -0.360 0.000 0.748 177 L CB -0.341 41.407 42.059 -0.519 0.000 0.891 177 L HN 0.271 nan 8.230 nan 0.000 0.431 178 W N -0.068 121.072 121.300 -0.267 0.000 2.363 178 W HA -0.126 4.533 4.660 -0.001 0.000 0.296 178 W C 2.837 179.207 176.519 -0.249 0.000 1.212 178 W CA 1.066 58.275 57.345 -0.227 0.000 1.260 178 W CB -0.895 28.435 29.460 -0.217 0.000 1.131 178 W HN 0.140 nan 8.180 nan 0.000 0.530 179 S N -0.454 115.144 115.700 -0.169 0.000 2.402 179 S HA -0.081 4.388 4.470 -0.001 0.000 0.229 179 S C 1.982 176.488 174.600 -0.156 0.000 1.021 179 S CA 1.469 59.506 58.200 -0.273 0.000 0.974 179 S CB -0.515 62.285 63.200 -0.666 0.000 0.800 179 S HN 0.330 nan 8.310 nan 0.000 0.484 180 G N -0.463 108.252 108.800 -0.141 0.000 2.777 180 G HA2 0.402 4.361 3.960 -0.001 0.000 0.211 180 G HA3 0.402 4.361 3.960 -0.001 0.000 0.211 180 G C 0.792 175.650 174.900 -0.070 0.000 1.149 180 G CA 0.518 45.553 45.100 -0.108 0.000 0.785 180 G HN 0.708 nan 8.290 nan 0.000 0.536 181 G N -0.445 108.328 108.800 -0.046 0.000 2.507 181 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.205 181 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.205 181 G C 0.185 175.090 174.900 0.010 0.000 0.996 181 G CA -0.465 44.629 45.100 -0.010 0.000 0.776 181 G HN 0.167 nan 8.290 nan 0.000 0.532 182 I N 1.645 122.213 120.570 -0.003 0.000 2.696 182 I HA 0.190 4.359 4.170 -0.001 0.000 0.284 182 I C 0.798 177.002 176.117 0.145 0.000 1.129 182 I CA 0.199 61.505 61.300 0.011 0.000 1.410 182 I CB 0.739 38.691 38.000 -0.081 0.000 1.399 182 I HN -0.014 nan 8.210 nan 0.000 0.579 183 D N 4.295 124.760 120.400 0.109 0.000 2.232 183 D HA 0.144 4.784 4.640 -0.001 0.000 0.220 183 D C 0.510 176.954 176.300 0.240 0.000 0.982 183 D CA 1.147 55.237 54.000 0.151 0.000 0.892 183 D CB 0.294 41.138 40.800 0.074 0.000 1.040 183 D HN 0.277 nan 8.370 nan 0.000 0.463 184 L N 2.234 123.527 121.223 0.117 0.000 2.276 184 L HA 0.273 4.612 4.340 -0.001 0.000 0.286 184 L C -0.420 176.457 176.870 0.012 0.000 1.024 184 L CA -0.924 53.975 54.840 0.099 0.000 0.826 184 L CB 1.746 43.772 42.059 -0.056 0.000 1.211 184 L HN -0.009 nan 8.230 nan 0.000 0.422 185 L N 4.863 126.129 121.223 0.072 0.000 2.462 185 L HA 0.127 4.466 4.340 -0.001 0.000 0.272 185 L C 0.167 177.058 176.870 0.035 0.000 1.166 185 L CA 0.615 55.336 54.840 -0.197 0.000 0.880 185 L CB 0.310 42.123 42.059 -0.411 0.000 1.142 185 L HN 0.577 nan 8.230 nan 0.000 0.473 186 K N 3.712 124.104 120.400 -0.013 0.000 2.292 186 K HA 0.374 4.693 4.320 -0.001 0.000 0.257 186 K C -0.857 175.840 176.600 0.161 0.000 0.940 186 K CA -0.769 55.541 56.287 0.040 0.000 0.811 186 K CB 1.071 33.562 32.500 -0.015 0.000 1.120 186 K HN 0.574 nan 8.250 nan 0.000 0.428 187 D N 1.381 121.911 120.400 0.218 0.000 2.411 187 D HA 0.026 4.665 4.640 -0.001 0.000 0.251 187 D C -0.700 175.767 176.300 0.280 0.000 1.201 187 D CA 0.077 54.293 54.000 0.361 0.000 0.996 187 D CB 0.837 41.829 40.800 0.321 0.000 1.101 187 D HN 0.558 nan 8.370 nan 0.000 0.504 188 D N 0.800 121.399 120.400 0.332 0.000 2.249 188 D HA -0.054 4.585 4.640 -0.001 0.000 0.246 188 D C 1.166 177.574 176.300 0.179 0.000 1.114 188 D CA -0.201 53.943 54.000 0.241 0.000 0.854 188 D CB 0.872 41.781 40.800 0.181 0.000 1.132 188 D HN 0.493 nan 8.370 nan 0.000 0.461 189 E N 3.734 123.957 120.200 0.039 0.000 2.533 189 E HA -0.376 3.974 4.350 -0.001 0.000 0.234 189 E C -0.124 176.449 176.600 -0.045 0.000 1.163 189 E CA 1.636 57.894 56.400 -0.236 0.000 0.894 189 E CB 0.096 29.470 29.700 -0.544 0.000 0.761 189 E HN 0.368 nan 8.360 nan 0.000 0.477 190 N N -0.941 117.832 118.700 0.121 0.000 2.382 190 N HA 0.125 4.864 4.740 -0.001 0.000 0.200 190 N C -0.528 175.183 175.510 0.335 0.000 1.122 190 N CA -0.094 53.074 53.050 0.195 0.000 0.870 190 N CB 0.258 38.876 38.487 0.218 0.000 1.176 190 N HN 0.167 nan 8.380 nan 0.000 0.474 191 F N 2.019 122.048 119.950 0.132 0.000 2.490 191 F HA 0.067 4.594 4.527 -0.001 0.000 0.357 191 F C 1.388 177.080 175.800 -0.181 0.000 1.166 191 F CA 0.067 58.105 58.000 0.064 0.000 1.116 191 F CB 0.492 39.577 39.000 0.141 0.000 1.171 191 F HN 0.085 nan 8.300 nan 0.000 0.576 192 T N 0.332 114.547 114.554 -0.564 0.000 3.463 192 T HA 0.234 4.584 4.350 -0.001 0.000 0.203 192 T C 0.103 174.368 174.700 -0.725 0.000 0.955 192 T CA -0.280 61.524 62.100 -0.494 0.000 1.230 192 T CB 0.620 69.310 68.868 -0.295 0.000 1.392 192 T HN 0.319 nan 8.240 nan 0.000 0.361 193 S N 0.230 115.425 115.700 -0.841 0.000 2.619 193 S HA 0.721 5.190 4.470 -0.001 0.000 0.280 193 S C -1.986 172.191 174.600 -0.706 0.000 1.150 193 S CA -0.872 56.890 58.200 -0.730 0.000 0.978 193 S CB 0.505 63.544 63.200 -0.268 0.000 1.041 193 S HN 0.431 nan 8.310 nan 0.000 0.485 194 F N 3.520 123.228 119.950 -0.404 0.000 2.565 194 F HA 0.396 4.922 4.527 -0.001 0.000 0.313 194 F C -1.584 173.800 175.800 -0.693 0.000 1.091 194 F CA -2.279 55.353 58.000 -0.613 0.000 0.915 194 F CB 1.928 40.234 39.000 -1.157 0.000 1.208 194 F HN 0.354 nan 8.300 nan 0.000 0.453 195 P HA -0.312 nan 4.420 nan 0.000 0.229 195 P C 1.214 178.457 177.300 -0.095 0.000 1.147 195 P CA 2.293 65.319 63.100 -0.123 0.000 0.949 195 P CB -0.178 31.538 31.700 0.025 0.000 0.786 196 F N -4.153 115.899 119.950 0.169 0.000 2.748 196 F HA 0.236 4.763 4.527 -0.001 0.000 0.299 196 F C 0.508 176.408 175.800 0.167 0.000 1.154 196 F CA 0.115 58.205 58.000 0.151 0.000 1.446 196 F CB -0.645 38.441 39.000 0.143 0.000 1.112 196 F HN -0.173 nan 8.300 nan 0.000 0.584 197 N N 1.173 119.947 118.700 0.124 0.000 2.793 197 N HA 0.200 4.939 4.740 -0.001 0.000 0.251 197 N C -1.464 173.929 175.510 -0.195 0.000 1.308 197 N CA -0.270 52.809 53.050 0.048 0.000 0.781 197 N CB 0.984 39.623 38.487 0.254 0.000 1.439 197 N HN 0.211 nan 8.380 nan 0.000 0.562 198 R N 1.532 121.948 120.500 -0.140 0.000 2.500 198 R HA 0.329 4.668 4.340 -0.001 0.000 0.277 198 R C 1.054 177.251 176.300 -0.171 0.000 1.026 198 R CA -0.473 55.546 56.100 -0.136 0.000 1.058 198 R CB 0.894 31.161 30.300 -0.054 0.000 1.078 198 R HN 0.319 nan 8.270 nan 0.000 0.509 199 F N 1.836 121.653 119.950 -0.221 0.000 2.026 199 F HA -0.235 4.291 4.527 -0.001 0.000 0.296 199 F C 2.170 177.905 175.800 -0.109 0.000 1.133 199 F CA 2.260 60.138 58.000 -0.204 0.000 1.188 199 F CB -0.147 38.735 39.000 -0.198 0.000 0.968 199 F HN 0.739 nan 8.300 nan 0.000 0.476 200 E N 0.134 120.462 120.200 0.214 0.000 2.035 200 E HA -0.321 4.028 4.350 -0.001 0.000 0.204 200 E C 2.066 178.687 176.600 0.035 0.000 1.025 200 E CA 2.254 58.744 56.400 0.151 0.000 0.835 200 E CB -0.333 29.427 29.700 0.100 0.000 0.764 200 E HN 0.579 nan 8.360 nan 0.000 0.457 201 E N -0.205 119.997 120.200 0.003 0.000 2.267 201 E HA -0.239 4.110 4.350 -0.001 0.000 0.197 201 E C 2.194 178.777 176.600 -0.028 0.000 0.998 201 E CA 0.778 57.178 56.400 -0.000 0.000 0.830 201 E CB -0.170 29.534 29.700 0.007 0.000 0.751 201 E HN 0.192 nan 8.360 nan 0.000 0.491 202 R N 1.062 121.492 120.500 -0.117 0.000 2.090 202 R HA -0.101 4.238 4.340 -0.001 0.000 0.228 202 R C 2.492 178.743 176.300 -0.082 0.000 1.110 202 R CA 1.135 57.133 56.100 -0.170 0.000 0.973 202 R CB -0.060 29.999 30.300 -0.401 0.000 0.869 202 R HN 0.230 nan 8.270 nan 0.000 0.440 203 V N -0.204 119.678 119.914 -0.054 0.000 2.379 203 V HA -0.113 4.006 4.120 -0.001 0.000 0.245 203 V C 1.942 178.196 176.094 0.267 0.000 1.044 203 V CA 1.309 63.721 62.300 0.185 0.000 1.036 203 V CB -0.470 31.469 31.823 0.194 0.000 0.664 203 V HN 0.278 nan 8.190 nan 0.000 0.453 204 R N 0.460 121.043 120.500 0.138 0.000 2.117 204 R HA -0.182 4.157 4.340 -0.001 0.000 0.243 204 R C 2.382 178.755 176.300 0.121 0.000 1.143 204 R CA 1.932 58.104 56.100 0.120 0.000 0.968 204 R CB -0.483 29.860 30.300 0.071 0.000 0.863 204 R HN 0.491 nan 8.270 nan 0.000 0.444 205 K N 1.015 121.473 120.400 0.097 0.000 1.995 205 K HA -0.014 4.305 4.320 -0.001 0.000 0.207 205 K C 1.921 178.570 176.600 0.082 0.000 1.041 205 K CA 1.006 57.339 56.287 0.076 0.000 0.942 205 K CB -0.495 32.038 32.500 0.055 0.000 0.731 205 K HN -0.042 nan 8.250 nan 0.000 0.439 206 L N 0.693 121.950 121.223 0.056 0.000 2.079 206 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 206 L C 2.339 179.173 176.870 -0.061 0.000 1.081 206 L CA 1.796 56.631 54.840 -0.009 0.000 0.752 206 L CB -1.123 40.837 42.059 -0.165 0.000 0.896 206 L HN 0.273 nan 8.230 nan 0.000 0.433 207 Y N 0.329 120.687 120.300 0.097 0.000 2.181 207 Y HA -0.222 4.327 4.550 -0.001 0.000 0.288 207 Y C 2.758 178.652 175.900 -0.009 0.000 1.146 207 Y CA 1.251 59.376 58.100 0.041 0.000 1.164 207 Y CB -0.168 38.323 38.460 0.052 0.000 0.982 207 Y HN 0.174 nan 8.280 nan 0.000 0.515 208 R N -0.628 119.953 120.500 0.135 0.000 2.092 208 R HA -0.107 4.232 4.340 -0.001 0.000 0.231 208 R C 2.020 178.343 176.300 0.039 0.000 1.119 208 R CA 1.491 57.635 56.100 0.072 0.000 0.970 208 R CB -0.736 29.603 30.300 0.065 0.000 0.864 208 R HN 0.194 nan 8.270 nan 0.000 0.440 209 V N 1.311 121.258 119.914 0.055 0.000 2.358 209 V HA -0.221 3.898 4.120 -0.001 0.000 0.246 209 V C 2.521 178.633 176.094 0.030 0.000 1.047 209 V CA 1.597 63.962 62.300 0.109 0.000 1.035 209 V CB -0.730 31.223 31.823 0.218 0.000 0.658 209 V HN 0.270 nan 8.190 nan 0.000 0.452 210 R N 1.002 121.370 120.500 -0.220 0.000 2.097 210 R HA -0.218 4.121 4.340 -0.001 0.000 0.236 210 R C 1.997 178.073 176.300 -0.374 0.000 1.135 210 R CA 2.648 58.316 56.100 -0.721 0.000 0.934 210 R CB -0.883 29.024 30.300 -0.654 0.000 0.846 210 R HN 0.641 nan 8.270 nan 0.000 0.431 211 D N -0.063 120.244 120.400 -0.156 0.000 2.084 211 D HA -0.194 4.446 4.640 -0.001 0.000 0.196 211 D C 2.011 178.284 176.300 -0.044 0.000 0.985 211 D CA 1.085 55.035 54.000 -0.083 0.000 0.826 211 D CB -0.417 40.369 40.800 -0.023 0.000 0.978 211 D HN 0.295 nan 8.370 nan 0.000 0.456 212 R N 1.316 121.815 120.500 -0.002 0.000 2.174 212 R HA -0.179 4.160 4.340 -0.001 0.000 0.253 212 R C 2.086 178.436 176.300 0.083 0.000 1.165 212 R CA 1.253 57.377 56.100 0.040 0.000 0.984 212 R CB -0.325 30.009 30.300 0.057 0.000 0.873 212 R HN 0.025 nan 8.270 nan 0.000 0.456 213 V N 0.961 120.916 119.914 0.069 0.000 2.453 213 V HA -0.153 3.966 4.120 -0.001 0.000 0.247 213 V C 2.068 178.151 176.094 -0.018 0.000 1.048 213 V CA 1.924 64.264 62.300 0.067 0.000 1.049 213 V CB -0.305 31.546 31.823 0.047 0.000 0.672 213 V HN 0.434 nan 8.190 nan 0.000 0.457 214 E N 0.346 120.499 120.200 -0.078 0.000 2.049 214 E HA -0.275 4.074 4.350 -0.001 0.000 0.198 214 E C 2.337 178.929 176.600 -0.013 0.000 1.007 214 E CA 1.519 57.885 56.400 -0.057 0.000 0.809 214 E CB -0.360 29.302 29.700 -0.063 0.000 0.749 214 E HN 0.599 nan 8.360 nan 0.000 0.450 215 A N 1.703 124.522 122.820 -0.002 0.000 1.859 215 A HA -0.260 4.059 4.320 -0.001 0.000 0.217 215 A C 2.038 179.639 177.584 0.029 0.000 1.198 215 A CA 1.562 53.608 52.037 0.015 0.000 0.629 215 A CB -0.513 18.498 19.000 0.018 0.000 0.830 215 A HN 0.100 nan 8.150 nan 0.000 0.446 216 E N -0.496 119.734 120.200 0.051 0.000 2.002 216 E HA -0.202 4.147 4.350 -0.001 0.000 0.213 216 E C 2.475 179.099 176.600 0.041 0.000 1.024 216 E CA 2.214 58.658 56.400 0.073 0.000 0.876 216 E CB -1.341 28.456 29.700 0.161 0.000 0.799 216 E HN 0.726 nan 8.360 nan 0.000 0.497 217 T N -2.266 112.305 114.554 0.028 0.000 2.624 217 T HA -0.206 4.143 4.350 -0.001 0.000 0.268 217 T C 1.663 176.371 174.700 0.013 0.000 1.041 217 T CA 3.449 65.558 62.100 0.014 0.000 1.159 217 T CB -0.507 68.362 68.868 0.001 0.000 0.863 217 T HN 0.491 nan 8.240 nan 0.000 0.434 218 G N 0.831 109.638 108.800 0.011 0.000 2.259 218 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.217 218 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.217 218 G C -0.015 174.894 174.900 0.016 0.000 1.001 218 G CA 0.177 45.285 45.100 0.014 0.000 0.627 218 G HN 0.773 nan 8.290 nan 0.000 0.501 219 E N 0.566 120.774 120.200 0.013 0.000 2.292 219 E HA 0.600 4.949 4.350 -0.001 0.000 0.258 219 E C -0.129 176.477 176.600 0.009 0.000 1.115 219 E CA -0.267 56.145 56.400 0.020 0.000 0.929 219 E CB 0.866 30.581 29.700 0.025 0.000 1.161 219 E HN 0.090 nan 8.360 nan 0.000 0.453 220 T N 1.382 115.954 114.554 0.031 0.000 2.918 220 T HA 0.357 4.706 4.350 -0.001 0.000 0.283 220 T C -0.466 174.233 174.700 -0.001 0.000 1.001 220 T CA -0.733 61.381 62.100 0.024 0.000 1.041 220 T CB 0.579 69.497 68.868 0.084 0.000 1.028 220 T HN 0.189 nan 8.240 nan 0.000 0.511 221 K N 2.541 122.891 120.400 -0.083 0.000 2.553 221 K HA 0.451 4.770 4.320 -0.001 0.000 0.250 221 K C -0.661 175.853 176.600 -0.143 0.000 0.953 221 K CA -0.758 55.412 56.287 -0.195 0.000 0.800 221 K CB 2.756 34.809 32.500 -0.745 0.000 1.243 221 K HN 0.508 nan 8.250 nan 0.000 0.435 222 E N 0.907 121.183 120.200 0.127 0.000 2.412 222 E HA 0.419 4.768 4.350 -0.001 0.000 0.255 222 E C -1.351 175.504 176.600 0.424 0.000 0.933 222 E CA -0.761 55.780 56.400 0.235 0.000 0.823 222 E CB 1.986 31.914 29.700 0.380 0.000 1.352 222 E HN 0.409 nan 8.360 nan 0.000 0.406 223 Y N 0.983 121.402 120.300 0.199 0.000 2.322 223 Y HA 0.329 4.878 4.550 -0.001 0.000 0.324 223 Y C -1.260 174.643 175.900 0.004 0.000 1.027 223 Y CA -0.841 57.345 58.100 0.143 0.000 1.179 223 Y CB 0.339 38.866 38.460 0.112 0.000 1.136 223 Y HN 0.357 nan 8.280 nan 0.000 0.449 224 L N 8.657 129.818 121.223 -0.104 0.000 2.384 224 L HA 0.271 4.610 4.340 -0.001 0.000 0.258 224 L C 0.645 177.323 176.870 -0.321 0.000 1.266 224 L CA -0.102 54.545 54.840 -0.322 0.000 1.162 224 L CB -0.345 41.398 42.059 -0.525 0.000 1.375 224 L HN 0.661 nan 8.230 nan 0.000 0.420 225 I N 1.397 121.652 120.570 -0.524 0.000 2.882 225 I HA 0.034 4.203 4.170 -0.001 0.000 0.286 225 I C 0.441 176.434 176.117 -0.206 0.000 1.139 225 I CA 0.195 61.089 61.300 -0.677 0.000 1.379 225 I CB 0.666 38.165 38.000 -0.835 0.000 1.410 225 I HN 0.562 nan 8.210 nan 0.000 0.594 226 N N 6.792 125.425 118.700 -0.112 0.000 2.706 226 N HA 0.241 4.980 4.740 -0.001 0.000 0.240 226 N C 0.455 176.003 175.510 0.063 0.000 1.039 226 N CA -0.552 52.492 53.050 -0.011 0.000 0.888 226 N CB 0.747 39.229 38.487 -0.009 0.000 1.128 226 N HN 0.761 nan 8.380 nan 0.000 0.512 227 I N 0.515 121.094 120.570 0.016 0.000 3.686 227 I HA 0.150 4.319 4.170 -0.001 0.000 0.308 227 I C -0.088 175.951 176.117 -0.129 0.000 1.254 227 I CA -0.142 61.096 61.300 -0.104 0.000 1.175 227 I CB -0.399 37.512 38.000 -0.148 0.000 1.009 227 I HN 0.124 nan 8.210 nan 0.000 0.459 228 T N 2.051 116.555 114.554 -0.082 0.000 2.926 228 T HA 0.568 4.917 4.350 -0.001 0.000 0.307 228 T C 0.423 175.060 174.700 -0.106 0.000 1.059 228 T CA 0.500 62.551 62.100 -0.083 0.000 1.122 228 T CB 1.063 69.892 68.868 -0.065 0.000 0.972 228 T HN 0.780 nan 8.240 nan 0.000 0.545 229 G N 2.181 110.922 108.800 -0.099 0.000 2.361 229 G HA2 0.340 4.300 3.960 -0.001 0.000 0.305 229 G HA3 0.340 4.300 3.960 -0.001 0.000 0.305 229 G C -3.327 171.512 174.900 -0.102 0.000 1.367 229 G CA -1.298 43.741 45.100 -0.102 0.000 0.951 229 G HN 0.548 nan 8.290 nan 0.000 0.615 230 P HA 0.158 nan 4.420 nan 0.000 0.266 230 P C 1.667 178.888 177.300 -0.132 0.000 1.186 230 P CA 0.343 63.385 63.100 -0.096 0.000 0.767 230 P CB 0.593 32.243 31.700 -0.083 0.000 0.820 231 V N 1.614 121.435 119.914 -0.155 0.000 2.282 231 V HA -0.369 3.750 4.120 -0.001 0.000 0.249 231 V C 1.842 177.786 176.094 -0.250 0.000 1.057 231 V CA 2.462 64.624 62.300 -0.230 0.000 1.032 231 V CB -2.067 29.555 31.823 -0.335 0.000 0.645 231 V HN 0.537 nan 8.190 nan 0.000 0.447 232 N N 2.078 120.648 118.700 -0.217 0.000 2.096 232 N HA -0.236 4.503 4.740 -0.001 0.000 0.195 232 N C 1.607 177.018 175.510 -0.164 0.000 1.017 232 N CA 2.545 55.487 53.050 -0.180 0.000 0.870 232 N CB -0.702 37.706 38.487 -0.131 0.000 1.024 232 N HN 0.495 nan 8.380 nan 0.000 0.434 233 I N -0.355 120.114 120.570 -0.169 0.000 2.400 233 I HA -0.006 4.163 4.170 -0.001 0.000 0.248 233 I C 2.273 178.243 176.117 -0.246 0.000 1.109 233 I CA 0.793 61.975 61.300 -0.196 0.000 1.425 233 I CB -0.748 37.136 38.000 -0.194 0.000 1.094 233 I HN 0.201 nan 8.210 nan 0.000 0.425 234 M N 0.610 120.081 119.600 -0.214 0.000 2.144 234 M HA -0.263 4.216 4.480 -0.001 0.000 0.260 234 M C 2.213 178.406 176.300 -0.177 0.000 1.067 234 M CA 1.888 57.066 55.300 -0.203 0.000 1.095 234 M CB -0.382 32.130 32.600 -0.147 0.000 1.365 234 M HN 0.299 nan 8.290 nan 0.000 0.406 235 E N 0.489 120.595 120.200 -0.157 0.000 2.028 235 E HA -0.166 4.183 4.350 -0.001 0.000 0.190 235 E C 1.812 178.348 176.600 -0.108 0.000 0.984 235 E CA 1.078 57.422 56.400 -0.093 0.000 0.800 235 E CB 0.114 29.772 29.700 -0.071 0.000 0.758 235 E HN 0.393 nan 8.360 nan 0.000 0.448 236 K N 0.214 120.532 120.400 -0.136 0.000 2.152 236 K HA -0.150 4.169 4.320 -0.001 0.000 0.206 236 K C 2.228 178.713 176.600 -0.193 0.000 1.048 236 K CA 1.386 57.591 56.287 -0.136 0.000 0.933 236 K CB -0.132 32.289 32.500 -0.132 0.000 0.721 236 K HN 0.138 nan 8.250 nan 0.000 0.447 237 R N 0.143 120.453 120.500 -0.316 0.000 2.240 237 R HA 0.065 4.404 4.340 -0.001 0.000 0.203 237 R C 2.233 178.384 176.300 -0.248 0.000 1.011 237 R CA 0.688 56.499 56.100 -0.483 0.000 1.007 237 R CB -0.073 29.534 30.300 -1.155 0.000 0.911 237 R HN 0.149 nan 8.270 nan 0.000 0.468 238 A N 1.796 124.520 122.820 -0.160 0.000 1.897 238 A HA -0.132 4.187 4.320 -0.001 0.000 0.215 238 A C 1.751 179.304 177.584 -0.051 0.000 1.181 238 A CA 0.923 52.917 52.037 -0.071 0.000 0.620 238 A CB -0.152 18.826 19.000 -0.036 0.000 0.821 238 A HN 0.270 nan 8.150 nan 0.000 0.443 239 E N 0.099 120.266 120.200 -0.055 0.000 2.333 239 E HA -0.177 4.172 4.350 -0.001 0.000 0.198 239 E C 1.837 178.411 176.600 -0.043 0.000 1.007 239 E CA 1.402 57.777 56.400 -0.041 0.000 0.845 239 E CB -0.370 29.310 29.700 -0.034 0.000 0.766 239 E HN 0.791 nan 8.360 nan 0.000 0.507 240 M N -0.350 119.228 119.600 -0.036 0.000 2.486 240 M HA 0.030 4.509 4.480 -0.001 0.000 0.264 240 M C 2.089 178.368 176.300 -0.036 0.000 1.125 240 M CA 0.600 55.894 55.300 -0.010 0.000 1.144 240 M CB 0.106 32.742 32.600 0.059 0.000 1.353 240 M HN -0.084 nan 8.290 nan 0.000 0.466 241 V N 1.244 121.142 119.914 -0.025 0.000 2.970 241 V HA -0.097 4.022 4.120 -0.001 0.000 0.260 241 V C 2.648 178.593 176.094 -0.249 0.000 1.100 241 V CA 1.735 63.961 62.300 -0.124 0.000 1.122 241 V CB -0.860 30.968 31.823 0.009 0.000 0.721 241 V HN 0.517 nan 8.190 nan 0.000 0.483 242 A N -0.036 122.703 122.820 -0.136 0.000 1.975 242 A HA -0.079 4.240 4.320 -0.001 0.000 0.215 242 A C 2.020 179.524 177.584 -0.133 0.000 1.170 242 A CA 1.389 53.355 52.037 -0.118 0.000 0.656 242 A CB -0.443 18.519 19.000 -0.063 0.000 0.821 242 A HN 0.543 nan 8.150 nan 0.000 0.449 243 N N 0.769 119.397 118.700 -0.120 0.000 2.051 243 N HA -0.119 4.620 4.740 -0.001 0.000 0.192 243 N C 1.352 176.784 175.510 -0.130 0.000 1.049 243 N CA 1.607 54.598 53.050 -0.098 0.000 0.845 243 N CB -0.244 38.208 38.487 -0.058 0.000 1.031 243 N HN 0.513 nan 8.380 nan 0.000 0.425 244 E N -0.098 119.987 120.200 -0.191 0.000 2.526 244 E HA 0.082 4.431 4.350 -0.001 0.000 0.198 244 E C 0.275 176.696 176.600 -0.298 0.000 1.091 244 E CA 0.602 56.880 56.400 -0.204 0.000 0.880 244 E CB -0.334 29.263 29.700 -0.171 0.000 0.873 244 E HN 0.403 nan 8.360 nan 0.000 0.527 245 G N 0.864 109.480 108.800 -0.308 0.000 2.520 245 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.264 245 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.264 245 G C 0.132 174.856 174.900 -0.293 0.000 1.140 245 G CA -0.224 44.722 45.100 -0.256 0.000 1.012 245 G HN 0.522 nan 8.290 nan 0.000 0.511 246 G N -1.012 107.591 108.800 -0.328 0.000 2.452 246 G HA2 0.600 4.559 3.960 -0.001 0.000 0.324 246 G HA3 0.600 4.559 3.960 -0.001 0.000 0.324 246 G C 0.249 175.091 174.900 -0.097 0.000 1.214 246 G CA -0.573 44.455 45.100 -0.121 0.000 0.947 246 G HN 0.290 nan 8.290 nan 0.000 0.478 247 Q N 0.233 119.942 119.800 -0.152 0.000 2.246 247 Q HA 0.250 4.589 4.340 -0.001 0.000 0.202 247 Q C -0.919 174.916 176.000 -0.274 0.000 0.883 247 Q CA 0.237 55.802 55.803 -0.397 0.000 0.952 247 Q CB 0.349 28.492 28.738 -0.992 0.000 1.078 247 Q HN 0.620 nan 8.270 nan 0.000 0.493 248 Y N -0.613 119.654 120.300 -0.055 0.000 2.499 248 Y HA 0.529 5.078 4.550 -0.001 0.000 0.347 248 Y C -0.523 175.387 175.900 0.017 0.000 0.987 248 Y CA -1.498 56.605 58.100 0.006 0.000 1.044 248 Y CB 2.167 40.673 38.460 0.076 0.000 1.245 248 Y HN -0.168 nan 8.280 nan 0.000 0.461 249 V N 2.548 122.615 119.914 0.255 0.000 2.498 249 V HA 0.400 4.519 4.120 -0.001 0.000 0.283 249 V C -0.529 175.640 176.094 0.126 0.000 1.015 249 V CA -1.078 61.304 62.300 0.137 0.000 0.867 249 V CB 1.100 32.971 31.823 0.080 0.000 1.025 249 V HN 0.898 nan 8.190 nan 0.000 0.441 250 M N 6.689 126.319 119.600 0.051 0.000 2.336 250 M HA 0.323 4.803 4.480 -0.001 0.000 0.371 250 M C -1.119 175.239 176.300 0.096 0.000 1.542 250 M CA 1.392 56.748 55.300 0.095 0.000 0.959 250 M CB -0.209 32.383 32.600 -0.013 0.000 2.033 250 M HN 0.699 nan 8.290 nan 0.000 0.472 251 I N 4.656 125.301 120.570 0.125 0.000 2.533 251 I HA 0.266 4.436 4.170 -0.001 0.000 0.290 251 I C -0.912 175.220 176.117 0.025 0.000 1.056 251 I CA -0.951 60.381 61.300 0.053 0.000 1.057 251 I CB 2.035 40.064 38.000 0.049 0.000 1.240 251 I HN 0.577 nan 8.210 nan 0.000 0.423 252 D N 6.981 127.365 120.400 -0.026 0.000 2.470 252 D HA 0.131 4.770 4.640 -0.001 0.000 0.226 252 D C 1.669 177.931 176.300 -0.063 0.000 1.196 252 D CA -0.059 53.912 54.000 -0.048 0.000 0.979 252 D CB 0.942 41.692 40.800 -0.083 0.000 1.059 252 D HN 0.520 nan 8.370 nan 0.000 0.515 253 I N -0.970 119.558 120.570 -0.070 0.000 2.335 253 I HA -0.251 3.918 4.170 -0.001 0.000 0.251 253 I C 1.293 177.265 176.117 -0.241 0.000 1.129 253 I CA 1.163 62.368 61.300 -0.159 0.000 1.402 253 I CB -0.386 37.510 38.000 -0.173 0.000 1.069 253 I HN 0.003 nan 8.210 nan 0.000 0.424 254 V N 1.327 121.153 119.914 -0.146 0.000 2.719 254 V HA -0.117 4.002 4.120 -0.001 0.000 0.252 254 V C 2.734 178.766 176.094 -0.103 0.000 1.065 254 V CA 1.246 63.467 62.300 -0.132 0.000 1.086 254 V CB -0.589 31.222 31.823 -0.020 0.000 0.700 254 V HN 0.336 nan 8.190 nan 0.000 0.467 255 V N 1.129 120.992 119.914 -0.084 0.000 2.221 255 V HA -0.193 3.926 4.120 -0.001 0.000 0.242 255 V C 2.866 178.926 176.094 -0.057 0.000 1.041 255 V CA 2.034 64.298 62.300 -0.060 0.000 0.995 255 V CB -1.607 30.184 31.823 -0.053 0.000 0.635 255 V HN 0.475 nan 8.190 nan 0.000 0.448 256 A N -0.045 122.734 122.820 -0.069 0.000 1.881 256 A HA 0.178 4.498 4.320 -0.001 0.000 0.219 256 A C 1.501 179.047 177.584 -0.063 0.000 1.215 256 A CA 2.434 54.431 52.037 -0.065 0.000 0.648 256 A CB -1.173 17.785 19.000 -0.069 0.000 0.832 256 A HN 1.787 nan 8.150 nan 0.000 0.455 257 G N -5.258 103.474 108.800 -0.113 0.000 2.440 257 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.684 257 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.684 257 G C -0.015 174.840 174.900 -0.076 0.000 1.309 257 G CA -0.040 45.008 45.100 -0.087 0.000 0.931 257 G HN 0.437 nan 8.290 nan 0.000 0.612 258 W N 0.193 121.525 121.300 0.053 0.000 2.444 258 W HA 0.097 4.756 4.660 -0.002 0.000 0.308 258 W C 3.055 179.584 176.519 0.017 0.000 1.183 258 W CA 1.847 59.204 57.345 0.020 0.000 1.340 258 W CB -0.147 29.285 29.460 -0.046 0.000 1.138 258 W HN 0.836 nan 8.180 nan 0.000 0.510 259 S N 0.506 116.366 115.700 0.266 0.000 2.440 259 S HA -0.189 4.280 4.470 -0.001 0.000 0.238 259 S C 1.729 176.423 174.600 0.157 0.000 1.010 259 S CA 1.568 59.875 58.200 0.177 0.000 0.972 259 S CB -0.337 62.944 63.200 0.135 0.000 0.774 259 S HN 0.144 nan 8.310 nan 0.000 0.501 260 A N 0.696 123.593 122.820 0.129 0.000 1.984 260 A HA 0.383 4.702 4.320 -0.001 0.000 0.214 260 A C 2.166 179.819 177.584 0.116 0.000 1.173 260 A CA 0.574 52.654 52.037 0.072 0.000 0.673 260 A CB -0.553 18.458 19.000 0.018 0.000 0.830 260 A HN 0.554 nan 8.150 nan 0.000 0.453 261 L N -0.649 120.669 121.223 0.158 0.000 2.109 261 L HA -0.173 4.166 4.340 -0.001 0.000 0.207 261 L C 2.770 179.765 176.870 0.208 0.000 1.086 261 L CA 0.965 55.913 54.840 0.180 0.000 0.760 261 L CB -0.283 41.937 42.059 0.267 0.000 0.910 261 L HN 0.464 nan 8.230 nan 0.000 0.437 262 Q N -0.699 119.233 119.800 0.220 0.000 1.948 262 Q HA -0.326 4.013 4.340 -0.001 0.000 0.205 262 Q C 2.058 178.155 176.000 0.161 0.000 0.992 262 Q CA 2.515 58.412 55.803 0.156 0.000 0.849 262 Q CB -0.810 27.986 28.738 0.096 0.000 0.918 262 Q HN 0.554 nan 8.270 nan 0.000 0.421 263 Y N 0.857 121.171 120.300 0.024 0.000 2.139 263 Y HA -0.281 4.268 4.550 -0.002 0.000 0.282 263 Y C 2.199 178.103 175.900 0.006 0.000 1.179 263 Y CA 1.362 59.464 58.100 0.003 0.000 1.161 263 Y CB 0.002 38.464 38.460 0.002 0.000 0.970 263 Y HN 0.126 nan 8.280 nan 0.000 0.511 264 M N -0.120 119.735 119.600 0.425 0.000 2.549 264 M HA -0.135 4.344 4.480 -0.001 0.000 0.260 264 M C 2.021 178.410 176.300 0.149 0.000 1.076 264 M CA 1.217 56.690 55.300 0.287 0.000 1.090 264 M CB -0.840 31.869 32.600 0.182 0.000 1.418 264 M HN 0.281 nan 8.290 nan 0.000 0.486 265 R N 1.126 121.691 120.500 0.109 0.000 2.062 265 R HA -0.079 4.261 4.340 -0.001 0.000 0.231 265 R C 1.835 178.152 176.300 0.027 0.000 1.136 265 R CA 1.810 57.956 56.100 0.076 0.000 0.948 265 R CB -0.456 29.872 30.300 0.046 0.000 0.845 265 R HN 0.375 nan 8.270 nan 0.000 0.430 266 E N -0.563 119.606 120.200 -0.051 0.000 2.077 266 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 266 E C 1.924 178.470 176.600 -0.089 0.000 0.989 266 E CA 1.569 57.897 56.400 -0.120 0.000 0.800 266 E CB -0.037 29.515 29.700 -0.247 0.000 0.746 266 E HN 0.136 nan 8.360 nan 0.000 0.452 267 V N 1.145 121.031 119.914 -0.046 0.000 2.255 267 V HA -0.292 3.827 4.120 -0.001 0.000 0.247 267 V C 2.734 178.852 176.094 0.040 0.000 1.051 267 V CA 2.255 64.571 62.300 0.026 0.000 1.018 267 V CB -0.955 30.962 31.823 0.156 0.000 0.641 267 V HN 0.539 nan 8.190 nan 0.000 0.445 268 T N -2.034 112.561 114.554 0.069 0.000 2.996 268 T HA -0.226 4.123 4.350 -0.001 0.000 0.271 268 T C 1.651 176.409 174.700 0.098 0.000 1.126 268 T CA 1.603 63.756 62.100 0.087 0.000 1.103 268 T CB -0.276 68.657 68.868 0.108 0.000 0.870 268 T HN 0.417 nan 8.240 nan 0.000 0.528 269 E N 2.071 122.302 120.200 0.052 0.000 2.023 269 E HA -0.129 4.221 4.350 -0.001 0.000 0.196 269 E C 1.806 178.416 176.600 0.018 0.000 1.003 269 E CA 1.800 58.216 56.400 0.026 0.000 0.809 269 E CB -0.800 28.884 29.700 -0.026 0.000 0.755 269 E HN 0.538 nan 8.360 nan 0.000 0.449 270 D N -0.082 120.317 120.400 -0.002 0.000 2.108 270 D HA -0.175 4.464 4.640 -0.001 0.000 0.190 270 D C 2.006 178.308 176.300 0.003 0.000 0.995 270 D CA 1.673 55.667 54.000 -0.011 0.000 0.834 270 D CB -0.388 40.397 40.800 -0.026 0.000 0.967 270 D HN 0.270 nan 8.370 nan 0.000 0.446 271 L N -1.251 119.982 121.223 0.017 0.000 2.492 271 L HA 0.266 4.605 4.340 -0.001 0.000 0.223 271 L C 1.390 178.283 176.870 0.037 0.000 1.132 271 L CA 0.436 55.283 54.840 0.013 0.000 0.850 271 L CB -0.300 41.761 42.059 0.004 0.000 0.966 271 L HN 0.134 nan 8.230 nan 0.000 0.454 272 G N 1.135 109.991 108.800 0.093 0.000 2.204 272 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.244 272 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.244 272 G C -0.139 174.915 174.900 0.257 0.000 1.062 272 G CA -0.318 44.899 45.100 0.194 0.000 0.798 272 G HN 0.204 nan 8.290 nan 0.000 0.496 273 L N 0.634 121.955 121.223 0.162 0.000 2.264 273 L HA 0.671 5.010 4.340 -0.001 0.000 0.289 273 L C 0.943 177.769 176.870 -0.073 0.000 1.044 273 L CA -0.478 54.364 54.840 0.003 0.000 0.807 273 L CB 1.669 43.746 42.059 0.031 0.000 1.192 273 L HN 0.371 nan 8.230 nan 0.000 0.425 274 A N 6.142 128.688 122.820 -0.456 0.000 2.347 274 A HA 0.494 4.813 4.320 -0.001 0.000 0.287 274 A C -0.048 177.505 177.584 -0.053 0.000 1.199 274 A CA -0.359 51.344 52.037 -0.556 0.000 0.851 274 A CB -0.112 18.318 19.000 -0.951 0.000 1.118 274 A HN 0.654 nan 8.150 nan 0.000 0.525 275 I N 3.232 123.856 120.570 0.090 0.000 2.581 275 I HA 0.192 4.361 4.170 -0.001 0.000 0.288 275 I C 0.517 176.804 176.117 0.283 0.000 1.047 275 I CA -0.161 61.250 61.300 0.185 0.000 1.374 275 I CB 0.812 38.908 38.000 0.160 0.000 1.423 275 I HN 0.749 nan 8.210 nan 0.000 0.549 276 H N 5.422 124.582 119.070 0.149 0.000 2.538 276 H HA 0.704 5.259 4.556 -0.001 0.000 0.353 276 H C -1.502 173.855 175.328 0.049 0.000 1.109 276 H CA -0.695 55.424 56.048 0.118 0.000 1.192 276 H CB 1.940 31.774 29.762 0.119 0.000 1.555 276 H HN 0.709 nan 8.280 nan 0.000 0.518 277 A N 3.360 126.022 122.820 -0.262 0.000 2.299 277 A HA 0.479 4.799 4.320 -0.001 0.000 0.332 277 A C -1.309 176.131 177.584 -0.240 0.000 1.131 277 A CA -0.624 51.333 52.037 -0.134 0.000 0.844 277 A CB 0.943 19.883 19.000 -0.100 0.000 1.251 277 A HN 0.946 nan 8.150 nan 0.000 0.486 278 H N -0.163 118.771 119.070 -0.227 0.000 3.149 278 H HA 0.343 4.898 4.556 -0.001 0.000 0.334 278 H C 0.635 175.883 175.328 -0.134 0.000 1.000 278 H CA -0.642 55.254 56.048 -0.253 0.000 1.415 278 H CB 0.971 30.748 29.762 0.026 0.000 1.819 278 H HN 0.709 nan 8.280 nan 0.000 0.486 279 R N 3.267 123.779 120.500 0.020 0.000 2.339 279 R HA 0.255 4.595 4.340 -0.001 0.000 0.199 279 R C 0.584 176.889 176.300 0.009 0.000 1.018 279 R CA 0.392 56.425 56.100 -0.111 0.000 1.036 279 R CB 0.123 30.147 30.300 -0.460 0.000 0.899 279 R HN 0.330 nan 8.270 nan 0.000 0.473 280 A N 2.050 125.084 122.820 0.358 0.000 2.583 280 A HA 0.055 4.375 4.320 -0.001 0.000 0.249 280 A C 0.800 178.438 177.584 0.091 0.000 1.035 280 A CA 1.182 53.382 52.037 0.273 0.000 0.777 280 A CB -0.268 18.901 19.000 0.281 0.000 0.942 280 A HN 0.767 nan 8.150 nan 0.000 0.516 281 M N 0.739 120.387 119.600 0.080 0.000 3.130 281 M HA -0.213 4.267 4.480 -0.001 0.000 0.242 281 M C 0.794 176.998 176.300 -0.160 0.000 0.501 281 M CA 1.467 56.743 55.300 -0.040 0.000 0.926 281 M CB -2.004 30.539 32.600 -0.095 0.000 3.281 281 M HN 1.167 nan 8.290 nan 0.000 0.314 282 H N -0.945 117.993 119.070 -0.219 0.000 2.470 282 H HA 0.462 5.018 4.556 -0.001 0.000 0.289 282 H C 1.667 176.841 175.328 -0.258 0.000 1.033 282 H CA 1.010 56.884 56.048 -0.291 0.000 1.331 282 H CB -0.220 29.588 29.762 0.078 0.000 1.414 282 H HN 0.461 nan 8.280 nan 0.000 0.545 283 A N 1.431 123.950 122.820 -0.502 0.000 2.255 283 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 283 A C 2.400 179.811 177.584 -0.289 0.000 1.175 283 A CA 1.226 52.985 52.037 -0.463 0.000 0.682 283 A CB -1.029 17.869 19.000 -0.171 0.000 0.784 283 A HN 0.730 nan 8.150 nan 0.000 0.482 284 A N -1.573 120.993 122.820 -0.424 0.000 2.206 284 A HA 0.345 4.665 4.320 -0.001 0.000 0.211 284 A C 1.200 178.719 177.584 -0.109 0.000 1.158 284 A CA 1.267 53.101 52.037 -0.339 0.000 0.761 284 A CB -0.344 18.352 19.000 -0.506 0.000 0.801 284 A HN 1.108 nan 8.150 nan 0.000 0.473 285 F N -4.288 115.619 119.950 -0.073 0.000 2.764 285 F HA 0.113 4.639 4.527 -0.001 0.000 0.393 285 F C 1.301 177.072 175.800 -0.048 0.000 0.854 285 F CA 0.449 58.412 58.000 -0.062 0.000 1.003 285 F CB -0.790 38.182 39.000 -0.047 0.000 1.085 285 F HN -0.039 nan 8.300 nan 0.000 0.592 286 T N -0.913 113.884 114.554 0.405 0.000 3.215 286 T HA 0.146 4.495 4.350 -0.001 0.000 0.254 286 T C 1.580 176.308 174.700 0.046 0.000 1.149 286 T CA 0.719 62.943 62.100 0.207 0.000 1.042 286 T CB 0.173 69.142 68.868 0.169 0.000 0.966 286 T HN 0.367 nan 8.240 nan 0.000 0.534 287 R N 1.461 121.964 120.500 0.004 0.000 2.038 287 R HA 0.117 4.456 4.340 -0.001 0.000 0.214 287 R C 0.873 177.169 176.300 -0.006 0.000 1.249 287 R CA -0.092 55.990 56.100 -0.030 0.000 1.025 287 R CB -0.251 30.010 30.300 -0.065 0.000 0.911 287 R HN 0.250 nan 8.270 nan 0.000 0.456 288 N N 2.400 121.098 118.700 -0.004 0.000 2.256 288 N HA -0.074 4.665 4.740 -0.001 0.000 0.277 288 N C -2.117 173.379 175.510 -0.022 0.000 1.362 288 N CA -0.294 52.750 53.050 -0.010 0.000 0.861 288 N CB 1.085 39.572 38.487 0.000 0.000 1.136 288 N HN 0.111 nan 8.380 nan 0.000 0.492 289 P HA 0.047 nan 4.420 nan 0.000 0.249 289 P C 0.283 177.382 177.300 -0.335 0.000 1.241 289 P CA 0.617 63.646 63.100 -0.117 0.000 0.781 289 P CB 0.269 31.932 31.700 -0.063 0.000 1.088 290 R N -2.953 117.362 120.500 -0.310 0.000 2.446 290 R HA 0.253 4.592 4.340 -0.001 0.000 0.254 290 R C 0.167 176.383 176.300 -0.140 0.000 0.918 290 R CA 0.020 55.839 56.100 -0.468 0.000 1.069 290 R CB 0.323 30.503 30.300 -0.199 0.000 1.194 290 R HN 0.184 nan 8.270 nan 0.000 0.534 291 H N -0.236 118.762 119.070 -0.119 0.000 3.087 291 H HA 0.429 4.984 4.556 -0.001 0.000 0.348 291 H C -0.264 175.036 175.328 -0.048 0.000 1.092 291 H CA 0.688 56.723 56.048 -0.022 0.000 1.285 291 H CB 2.072 31.814 29.762 -0.033 0.000 1.875 291 H HN 0.286 nan 8.280 nan 0.000 0.512 292 G N 3.618 112.454 108.800 0.059 0.000 2.250 292 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.196 292 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.196 292 G C -1.751 173.189 174.900 0.066 0.000 1.308 292 G CA -0.181 44.899 45.100 -0.034 0.000 1.207 292 G HN 0.483 nan 8.290 nan 0.000 0.505 293 I N 1.549 122.113 120.570 -0.010 0.000 2.571 293 I HA 0.395 4.564 4.170 -0.001 0.000 0.289 293 I C 0.747 176.888 176.117 0.041 0.000 1.115 293 I CA 0.040 61.336 61.300 -0.008 0.000 1.045 293 I CB 1.340 39.216 38.000 -0.207 0.000 1.238 293 I HN 0.986 nan 8.210 nan 0.000 0.424 294 T N 3.037 117.619 114.554 0.047 0.000 2.916 294 T HA 0.055 4.404 4.350 -0.001 0.000 0.303 294 T C 1.202 175.952 174.700 0.082 0.000 1.025 294 T CA -0.296 61.835 62.100 0.051 0.000 1.142 294 T CB 0.704 69.578 68.868 0.009 0.000 0.947 294 T HN 0.571 nan 8.240 nan 0.000 0.544 295 M N 3.522 123.195 119.600 0.122 0.000 2.255 295 M HA -0.073 4.406 4.480 -0.001 0.000 0.259 295 M C 1.554 177.905 176.300 0.084 0.000 1.071 295 M CA 1.546 56.953 55.300 0.177 0.000 1.074 295 M CB -1.313 31.399 32.600 0.187 0.000 1.384 295 M HN 0.819 nan 8.290 nan 0.000 0.415 296 L N -0.124 121.088 121.223 -0.017 0.000 2.072 296 L HA 0.055 4.395 4.340 -0.001 0.000 0.205 296 L C 2.335 179.089 176.870 -0.193 0.000 1.079 296 L CA 1.680 56.416 54.840 -0.173 0.000 0.752 296 L CB -0.994 40.896 42.059 -0.282 0.000 0.906 296 L HN 0.323 nan 8.230 nan 0.000 0.436 297 A N 0.106 122.870 122.820 -0.094 0.000 1.896 297 A HA -0.307 4.013 4.320 -0.001 0.000 0.220 297 A C 2.350 180.095 177.584 0.269 0.000 1.206 297 A CA 2.532 54.587 52.037 0.031 0.000 0.647 297 A CB -1.282 17.769 19.000 0.085 0.000 0.828 297 A HN 0.621 nan 8.150 nan 0.000 0.455 298 L N -1.184 120.207 121.223 0.280 0.000 2.056 298 L HA -0.015 4.324 4.340 -0.001 0.000 0.207 298 L C 2.492 179.593 176.870 0.384 0.000 1.078 298 L CA 1.643 56.749 54.840 0.443 0.000 0.749 298 L CB -0.441 41.869 42.059 0.419 0.000 0.901 298 L HN 0.348 nan 8.230 nan 0.000 0.433 299 A N -0.117 122.828 122.820 0.209 0.000 2.225 299 A HA -0.206 4.113 4.320 -0.001 0.000 0.215 299 A C 2.182 179.949 177.584 0.305 0.000 1.164 299 A CA 1.742 53.906 52.037 0.211 0.000 0.710 299 A CB -0.347 18.719 19.000 0.110 0.000 0.780 299 A HN 0.616 nan 8.150 nan 0.000 0.473 300 K N -0.780 119.772 120.400 0.253 0.000 2.157 300 K HA 0.361 4.681 4.320 -0.001 0.000 0.207 300 K C 2.143 179.110 176.600 0.612 0.000 1.030 300 K CA 0.929 57.455 56.287 0.398 0.000 0.965 300 K CB -0.446 31.977 32.500 -0.128 0.000 0.877 300 K HN 0.134 nan 8.250 nan 0.000 0.460 301 A N 1.375 124.619 122.820 0.706 0.000 1.894 301 A HA -0.281 4.039 4.320 -0.001 0.000 0.220 301 A C 2.366 180.142 177.584 0.320 0.000 1.237 301 A CA 2.733 54.960 52.037 0.316 0.000 0.660 301 A CB -1.541 17.435 19.000 -0.040 0.000 0.835 301 A HN 0.550 nan 8.150 nan 0.000 0.461 302 A N -0.842 122.305 122.820 0.545 0.000 2.239 302 A HA 0.011 4.330 4.320 -0.001 0.000 0.209 302 A C 2.076 179.904 177.584 0.408 0.000 1.171 302 A CA 1.312 53.667 52.037 0.529 0.000 0.768 302 A CB -0.495 18.860 19.000 0.592 0.000 0.790 302 A HN 0.702 nan 8.150 nan 0.000 0.478 303 R N -0.978 119.782 120.500 0.434 0.000 2.127 303 R HA 0.122 4.462 4.340 -0.001 0.000 0.217 303 R C 1.890 178.376 176.300 0.310 0.000 1.074 303 R CA 1.099 57.411 56.100 0.354 0.000 0.991 303 R CB -0.352 30.154 30.300 0.342 0.000 0.895 303 R HN 0.452 nan 8.270 nan 0.000 0.450 304 M N 1.011 120.830 119.600 0.365 0.000 2.065 304 M HA -0.133 4.346 4.480 -0.001 0.000 0.259 304 M C 2.066 178.541 176.300 0.292 0.000 1.069 304 M CA 1.890 57.324 55.300 0.224 0.000 1.110 304 M CB -0.057 32.650 32.600 0.178 0.000 1.328 304 M HN 0.193 nan 8.290 nan 0.000 0.405 305 I N -0.770 120.007 120.570 0.345 0.000 2.454 305 I HA -0.144 4.025 4.170 -0.001 0.000 0.254 305 I C 1.266 177.512 176.117 0.215 0.000 1.156 305 I CA 1.167 62.649 61.300 0.302 0.000 1.433 305 I CB -0.657 37.501 38.000 0.264 0.000 1.082 305 I HN 0.678 nan 8.210 nan 0.000 0.432 306 G N 1.361 110.296 108.800 0.224 0.000 2.189 306 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.113 306 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.113 306 G C 0.094 175.110 174.900 0.193 0.000 1.038 306 G CA -0.142 45.072 45.100 0.189 0.000 0.704 306 G HN 0.184 nan 8.290 nan 0.000 0.490 307 V N -1.715 118.320 119.914 0.203 0.000 2.715 307 V HA 0.529 4.648 4.120 -0.001 0.000 0.299 307 V C 0.713 176.912 176.094 0.175 0.000 1.054 307 V CA 0.151 62.558 62.300 0.178 0.000 1.077 307 V CB 1.457 33.376 31.823 0.159 0.000 0.972 307 V HN 0.160 nan 8.190 nan 0.000 0.484 308 D N 2.585 123.093 120.400 0.179 0.000 2.340 308 D HA 0.172 4.811 4.640 -0.001 0.000 0.217 308 D C 0.239 176.678 176.300 0.231 0.000 1.081 308 D CA 0.414 54.533 54.000 0.198 0.000 0.842 308 D CB 0.754 41.665 40.800 0.186 0.000 0.934 308 D HN 0.780 nan 8.370 nan 0.000 0.511 309 Q N 0.550 120.452 119.800 0.169 0.000 2.320 309 Q HA 0.545 4.885 4.340 -0.001 0.000 0.272 309 Q C -1.383 174.558 176.000 -0.099 0.000 1.023 309 Q CA -0.364 55.492 55.803 0.088 0.000 0.855 309 Q CB 3.199 31.975 28.738 0.063 0.000 1.367 309 Q HN 0.052 nan 8.270 nan 0.000 0.406 310 I N 0.330 120.853 120.570 -0.079 0.000 2.969 310 I HA 0.428 4.597 4.170 -0.001 0.000 0.307 310 I C -1.136 174.853 176.117 -0.212 0.000 1.149 310 I CA -0.802 60.378 61.300 -0.200 0.000 1.008 310 I CB 2.060 40.017 38.000 -0.072 0.000 1.232 310 I HN 0.736 nan 8.210 nan 0.000 0.435 311 H N 2.988 121.949 119.070 -0.181 0.000 2.610 311 H HA 0.252 4.807 4.556 -0.001 0.000 0.336 311 H C 0.360 175.616 175.328 -0.121 0.000 1.087 311 H CA 0.253 56.193 56.048 -0.180 0.000 1.405 311 H CB 1.315 30.921 29.762 -0.260 0.000 1.460 311 H HN 0.670 nan 8.280 nan 0.000 0.538 312 T N 0.160 114.732 114.554 0.030 0.000 3.238 312 T HA 0.523 4.872 4.350 -0.001 0.000 0.242 312 T C 0.965 175.671 174.700 0.011 0.000 0.980 312 T CA 0.236 62.344 62.100 0.013 0.000 1.235 312 T CB 0.573 69.436 68.868 -0.009 0.000 1.069 312 T HN 0.795 nan 8.240 nan 0.000 0.407 313 G N 0.372 109.140 108.800 -0.052 0.000 2.356 313 G HA2 0.418 4.378 3.960 -0.001 0.000 0.288 313 G HA3 0.418 4.378 3.960 -0.001 0.000 0.288 313 G C -0.730 174.062 174.900 -0.179 0.000 1.302 313 G CA -0.023 45.035 45.100 -0.069 0.000 0.887 313 G HN 1.032 nan 8.290 nan 0.000 0.521 314 T N -2.787 111.722 114.554 -0.076 0.000 2.831 314 T HA 0.850 5.199 4.350 -0.001 0.000 0.287 314 T C -0.244 174.571 174.700 0.193 0.000 1.070 314 T CA 0.403 62.487 62.100 -0.026 0.000 1.010 314 T CB 1.808 70.653 68.868 -0.038 0.000 1.264 314 T HN 2.272 nan 8.240 nan 0.000 0.532 315 A N 1.332 124.303 122.820 0.251 0.000 2.923 315 A HA 0.707 5.026 4.320 -0.001 0.000 0.343 315 A C -0.694 176.980 177.584 0.150 0.000 1.199 315 A CA -0.541 51.680 52.037 0.307 0.000 0.878 315 A CB -0.514 18.774 19.000 0.480 0.000 1.104 315 A HN 1.075 nan 8.150 nan 0.000 0.483 316 V N 0.225 120.200 119.914 0.102 0.000 2.966 316 V HA 0.374 4.494 4.120 -0.001 0.000 0.288 316 V C 1.408 177.536 176.094 0.057 0.000 1.380 316 V CA -0.293 62.040 62.300 0.054 0.000 0.966 316 V CB 1.228 33.065 31.823 0.024 0.000 1.115 316 V HN 0.792 nan 8.190 nan 0.000 0.436 317 G N 2.014 110.845 108.800 0.052 0.000 2.649 317 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.220 317 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.220 317 G C 1.441 176.369 174.900 0.047 0.000 1.189 317 G CA 1.641 46.771 45.100 0.049 0.000 0.777 317 G HN 0.653 nan 8.290 nan 0.000 0.602 318 K N -0.037 120.391 120.400 0.047 0.000 2.049 318 K HA -0.122 4.197 4.320 -0.001 0.000 0.219 318 K C 1.657 178.278 176.600 0.035 0.000 1.056 318 K CA 1.143 57.454 56.287 0.039 0.000 0.946 318 K CB -0.402 32.122 32.500 0.039 0.000 0.723 318 K HN 0.415 nan 8.250 nan 0.000 0.453 319 M N 0.845 120.467 119.600 0.038 0.000 2.901 319 M HA 0.180 4.659 4.480 -0.001 0.000 0.294 319 M C -0.337 176.002 176.300 0.066 0.000 1.255 319 M CA -0.139 55.187 55.300 0.043 0.000 1.274 319 M CB 0.663 33.280 32.600 0.029 0.000 1.173 319 M HN 0.046 nan 8.290 nan 0.000 0.525 320 A N 2.703 125.560 122.820 0.061 0.000 2.253 320 A HA 0.246 4.565 4.320 -0.001 0.000 0.225 320 A C 0.949 178.584 177.584 0.085 0.000 1.521 320 A CA 0.149 52.228 52.037 0.070 0.000 1.494 320 A CB -1.441 17.589 19.000 0.050 0.000 0.804 320 A HN 0.855 nan 8.150 nan 0.000 0.614 321 G N 0.418 109.279 108.800 0.101 0.000 2.298 321 G HA2 0.165 4.124 3.960 -0.001 0.000 0.263 321 G HA3 0.165 4.124 3.960 -0.001 0.000 0.263 321 G C 0.318 175.305 174.900 0.144 0.000 1.229 321 G CA -0.332 44.834 45.100 0.109 0.000 0.976 321 G HN 0.563 nan 8.290 nan 0.000 0.459 322 N N 1.928 120.700 118.700 0.120 0.000 2.095 322 N HA -0.222 4.518 4.740 -0.001 0.000 0.278 322 N C 1.054 176.684 175.510 0.199 0.000 1.338 322 N CA 0.055 53.187 53.050 0.137 0.000 1.091 322 N CB -0.458 38.090 38.487 0.102 0.000 1.500 322 N HN 0.622 nan 8.380 nan 0.000 0.478 323 Y N 1.935 122.288 120.300 0.089 0.000 2.588 323 Y HA -0.262 4.287 4.550 -0.001 0.000 0.279 323 Y C 1.280 177.220 175.900 0.066 0.000 1.171 323 Y CA 1.512 59.671 58.100 0.097 0.000 1.425 323 Y CB 0.249 38.728 38.460 0.032 0.000 0.960 323 Y HN 0.536 nan 8.280 nan 0.000 0.585 324 E N -0.071 120.272 120.200 0.238 0.000 2.140 324 E HA -0.113 4.236 4.350 -0.001 0.000 0.191 324 E C 1.913 178.537 176.600 0.040 0.000 0.973 324 E CA 1.102 57.590 56.400 0.147 0.000 0.829 324 E CB -0.304 29.474 29.700 0.131 0.000 0.781 324 E HN 0.729 nan 8.360 nan 0.000 0.466 325 E N 1.486 121.716 120.200 0.049 0.000 2.011 325 E HA -0.062 4.287 4.350 -0.001 0.000 0.191 325 E C 2.211 178.819 176.600 0.013 0.000 0.980 325 E CA 0.631 57.049 56.400 0.029 0.000 0.814 325 E CB -0.234 29.495 29.700 0.048 0.000 0.775 325 E HN 0.005 nan 8.360 nan 0.000 0.454 326 I N 1.147 121.738 120.570 0.036 0.000 2.130 326 I HA -0.404 3.765 4.170 -0.001 0.000 0.241 326 I C 2.651 178.781 176.117 0.022 0.000 1.023 326 I CA 1.824 63.150 61.300 0.043 0.000 1.293 326 I CB -0.676 37.387 38.000 0.105 0.000 1.001 326 I HN 0.283 nan 8.210 nan 0.000 0.407 327 K N 0.229 120.547 120.400 -0.136 0.000 2.280 327 K HA -0.187 4.133 4.320 -0.001 0.000 0.202 327 K C 2.113 178.682 176.600 -0.051 0.000 1.047 327 K CA 0.952 57.142 56.287 -0.160 0.000 0.942 327 K CB -0.093 32.097 32.500 -0.516 0.000 0.739 327 K HN 0.276 nan 8.250 nan 0.000 0.457 328 R N 0.871 121.350 120.500 -0.035 0.000 2.092 328 R HA -0.077 4.262 4.340 -0.001 0.000 0.226 328 R C 2.348 178.643 176.300 -0.008 0.000 1.140 328 R CA 1.467 57.553 56.100 -0.022 0.000 0.910 328 R CB -0.370 29.906 30.300 -0.041 0.000 0.822 328 R HN 0.056 nan 8.270 nan 0.000 0.433 329 I N 1.147 121.699 120.570 -0.030 0.000 2.094 329 I HA -0.468 3.701 4.170 -0.001 0.000 0.236 329 I C 2.160 178.323 176.117 0.076 0.000 1.016 329 I CA 2.105 63.393 61.300 -0.020 0.000 1.294 329 I CB -0.887 37.107 38.000 -0.009 0.000 1.006 329 I HN 0.483 nan 8.210 nan 0.000 0.397 330 N N 0.458 119.201 118.700 0.072 0.000 2.064 330 N HA -0.277 4.462 4.740 -0.001 0.000 0.200 330 N C 1.398 176.983 175.510 0.125 0.000 1.028 330 N CA 2.184 55.296 53.050 0.103 0.000 0.880 330 N CB -0.236 38.319 38.487 0.114 0.000 1.062 330 N HN 0.374 nan 8.380 nan 0.000 0.454 331 D N -0.087 120.375 120.400 0.103 0.000 2.218 331 D HA -0.132 4.507 4.640 -0.001 0.000 0.204 331 D C 1.546 177.916 176.300 0.117 0.000 0.976 331 D CA 0.498 54.549 54.000 0.084 0.000 0.853 331 D CB -0.300 40.531 40.800 0.051 0.000 0.939 331 D HN 0.311 nan 8.370 nan 0.000 0.481 332 F N 1.058 120.967 119.950 -0.067 0.000 2.084 332 F HA -0.097 4.429 4.527 -0.001 0.000 0.296 332 F C 2.050 177.791 175.800 -0.098 0.000 1.111 332 F CA 1.060 58.988 58.000 -0.121 0.000 1.224 332 F CB -0.353 38.552 39.000 -0.158 0.000 0.991 332 F HN -0.138 nan 8.300 nan 0.000 0.471 333 L N 0.130 121.498 121.223 0.242 0.000 2.012 333 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 333 L C 2.407 179.222 176.870 -0.091 0.000 1.073 333 L CA 1.484 56.356 54.840 0.053 0.000 0.748 333 L CB -0.750 41.423 42.059 0.190 0.000 0.891 333 L HN 0.263 nan 8.230 nan 0.000 0.431 334 L N -0.574 120.633 121.223 -0.027 0.000 2.478 334 L HA -0.027 4.312 4.340 -0.001 0.000 0.223 334 L C 1.558 178.378 176.870 -0.083 0.000 1.140 334 L CA -0.118 54.687 54.840 -0.057 0.000 0.842 334 L CB -0.194 41.854 42.059 -0.017 0.000 0.953 334 L HN 0.254 nan 8.230 nan 0.000 0.452 335 S N -0.094 115.534 115.700 -0.119 0.000 2.603 335 S HA 0.118 4.587 4.470 -0.001 0.000 0.268 335 S C 0.222 174.767 174.600 -0.091 0.000 1.317 335 S CA -0.693 57.444 58.200 -0.105 0.000 1.012 335 S CB 1.022 64.139 63.200 -0.139 0.000 0.926 335 S HN 0.045 nan 8.310 nan 0.000 0.539 336 K N 0.850 121.235 120.400 -0.024 0.000 2.219 336 K HA 0.121 4.440 4.320 -0.001 0.000 0.258 336 K C -1.297 175.389 176.600 0.143 0.000 1.008 336 K CA -0.238 56.075 56.287 0.044 0.000 0.928 336 K CB 0.482 33.015 32.500 0.055 0.000 0.983 336 K HN 0.864 nan 8.250 nan 0.000 0.484 337 W N 5.229 126.479 121.300 -0.083 0.000 1.768 337 W HA 0.167 4.826 4.660 -0.001 0.000 0.306 337 W C -0.516 175.963 176.519 -0.068 0.000 1.025 337 W CA -0.325 56.969 57.345 -0.086 0.000 0.993 337 W CB -0.498 28.857 29.460 -0.175 0.000 0.966 337 W HN 0.914 nan 8.180 nan 0.000 0.285 338 E N 0.448 120.754 120.200 0.176 0.000 3.132 338 E HA -0.396 3.953 4.350 -0.001 0.000 0.362 338 E C 1.786 178.444 176.600 0.096 0.000 1.473 338 E CA 2.185 58.663 56.400 0.129 0.000 1.471 338 E CB -1.261 28.451 29.700 0.021 0.000 1.727 338 E HN 0.722 nan 8.360 nan 0.000 0.509 339 H N 2.182 121.243 119.070 -0.015 0.000 2.395 339 H HA 0.083 4.639 4.556 -0.001 0.000 0.299 339 H C 1.308 176.594 175.328 -0.070 0.000 1.070 339 H CA 0.828 56.845 56.048 -0.051 0.000 1.356 339 H CB -0.180 29.533 29.762 -0.082 0.000 1.401 339 H HN 0.237 nan 8.280 nan 0.000 0.524 340 I N 4.352 124.654 120.570 -0.446 0.000 2.742 340 I HA -0.068 4.101 4.170 -0.001 0.000 0.287 340 I C 0.727 176.827 176.117 -0.027 0.000 1.186 340 I CA 0.526 61.688 61.300 -0.231 0.000 1.417 340 I CB -0.022 37.793 38.000 -0.310 0.000 1.377 340 I HN 0.295 nan 8.210 nan 0.000 0.556 341 R N 8.213 128.722 120.500 0.015 0.000 2.560 341 R HA 0.422 4.761 4.340 -0.001 0.000 0.270 341 R C -2.334 173.978 176.300 0.020 0.000 1.074 341 R CA -1.733 54.382 56.100 0.025 0.000 1.140 341 R CB -0.097 30.224 30.300 0.036 0.000 1.073 341 R HN 0.412 nan 8.270 nan 0.000 0.527 342 P HA -0.004 nan 4.420 nan 0.000 0.268 342 P C -0.184 177.100 177.300 -0.027 0.000 1.204 342 P CA -0.036 63.036 63.100 -0.046 0.000 0.768 342 P CB 0.888 32.540 31.700 -0.080 0.000 0.842 343 V N 4.382 124.294 119.914 -0.003 0.000 3.170 343 V HA 0.307 4.426 4.120 -0.001 0.000 0.309 343 V C 0.552 176.698 176.094 0.087 0.000 1.071 343 V CA -0.430 61.914 62.300 0.073 0.000 1.063 343 V CB 0.335 32.232 31.823 0.122 0.000 1.123 343 V HN 0.439 nan 8.190 nan 0.000 0.464 344 F N 1.763 121.741 119.950 0.047 0.000 2.450 344 F HA 0.510 5.036 4.527 -0.001 0.000 0.332 344 F C -2.286 173.531 175.800 0.027 0.000 1.093 344 F CA -2.056 55.968 58.000 0.040 0.000 1.003 344 F CB 2.463 41.496 39.000 0.056 0.000 1.151 344 F HN 0.281 nan 8.300 nan 0.000 0.474 345 P HA 0.303 nan 4.420 nan 0.000 0.293 345 P C -1.433 175.916 177.300 0.082 0.000 1.291 345 P CA -0.453 62.723 63.100 0.126 0.000 0.867 345 P CB 1.864 33.605 31.700 0.069 0.000 1.074 346 V N 2.492 122.427 119.914 0.034 0.000 2.334 346 V HA 0.482 4.601 4.120 -0.001 0.000 0.281 346 V C 0.213 176.309 176.094 0.003 0.000 1.016 346 V CA -0.656 61.675 62.300 0.051 0.000 0.832 346 V CB 1.002 32.906 31.823 0.136 0.000 0.999 346 V HN 0.621 nan 8.190 nan 0.000 0.439 347 A N 4.748 127.530 122.820 -0.063 0.000 2.671 347 A HA 0.589 4.909 4.320 -0.001 0.000 0.306 347 A C 0.582 178.094 177.584 -0.120 0.000 1.473 347 A CA -0.198 51.763 52.037 -0.127 0.000 1.155 347 A CB -0.321 18.599 19.000 -0.133 0.000 1.123 347 A HN 0.859 nan 8.150 nan 0.000 0.545 348 S N 1.001 116.613 115.700 -0.146 0.000 2.501 348 S HA 0.825 5.294 4.470 -0.001 0.000 0.301 348 S C 0.364 174.886 174.600 -0.129 0.000 1.096 348 S CA -0.159 57.921 58.200 -0.200 0.000 1.063 348 S CB 1.817 64.750 63.200 -0.446 0.000 1.042 348 S HN 1.786 nan 8.310 nan 0.000 0.494 349 G N 0.236 108.979 108.800 -0.095 0.000 3.442 349 G HA2 0.453 4.412 3.960 -0.001 0.000 0.224 349 G HA3 0.453 4.412 3.960 -0.001 0.000 0.224 349 G C 0.482 175.371 174.900 -0.017 0.000 0.988 349 G CA 0.081 45.151 45.100 -0.049 0.000 1.133 349 G HN 1.869 nan 8.290 nan 0.000 0.659 350 G N -0.320 108.472 108.800 -0.014 0.000 2.331 350 G HA2 0.085 4.044 3.960 -0.001 0.000 0.254 350 G HA3 0.085 4.044 3.960 -0.001 0.000 0.254 350 G C -0.083 174.837 174.900 0.034 0.000 0.879 350 G CA 0.714 45.829 45.100 0.026 0.000 1.287 350 G HN 1.116 nan 8.290 nan 0.000 0.383 351 L N 2.842 124.068 121.223 0.005 0.000 2.298 351 L HA 0.942 5.281 4.340 -0.001 0.000 0.268 351 L C 0.627 177.464 176.870 -0.055 0.000 1.010 351 L CA -0.969 53.820 54.840 -0.085 0.000 0.812 351 L CB 1.659 43.667 42.059 -0.084 0.000 1.331 351 L HN 0.804 nan 8.230 nan 0.000 0.450 352 H N -2.629 116.448 119.070 0.012 0.000 2.935 352 H HA 0.206 4.761 4.556 -0.001 0.000 0.297 352 H C -2.767 172.575 175.328 0.023 0.000 1.423 352 H CA -1.409 54.648 56.048 0.015 0.000 1.161 352 H CB 0.872 30.645 29.762 0.018 0.000 1.841 352 H HN 0.326 nan 8.280 nan 0.000 0.506 353 P HA -0.289 nan 4.420 nan 0.000 0.225 353 P C 1.481 178.832 177.300 0.086 0.000 1.154 353 P CA 2.979 66.152 63.100 0.121 0.000 0.933 353 P CB -0.740 31.046 31.700 0.144 0.000 0.790 354 G N -0.429 108.472 108.800 0.169 0.000 2.443 354 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.219 354 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.219 354 G C 1.718 176.592 174.900 -0.043 0.000 1.131 354 G CA 0.484 45.632 45.100 0.081 0.000 0.775 354 G HN 0.290 nan 8.290 nan 0.000 0.547 355 L N 0.120 121.207 121.223 -0.226 0.000 2.395 355 L HA 0.025 4.365 4.340 -0.001 0.000 0.218 355 L C 2.740 179.574 176.870 -0.060 0.000 1.130 355 L CA -0.193 54.553 54.840 -0.156 0.000 0.826 355 L CB -0.467 41.447 42.059 -0.242 0.000 0.941 355 L HN 0.041 nan 8.230 nan 0.000 0.451 356 M N 0.449 120.023 119.600 -0.044 0.000 2.894 356 M HA -0.220 4.260 4.480 -0.001 0.000 0.268 356 M C 0.006 176.325 176.300 0.032 0.000 1.054 356 M CA 2.486 57.788 55.300 0.004 0.000 1.062 356 M CB -2.708 29.900 32.600 0.014 0.000 1.242 356 M HN 0.082 nan 8.290 nan 0.000 0.508 357 P HA -0.187 nan 4.420 nan 0.000 0.216 357 P C 1.509 178.840 177.300 0.051 0.000 1.157 357 P CA 1.714 64.838 63.100 0.040 0.000 0.880 357 P CB -0.327 31.392 31.700 0.031 0.000 0.791 358 E N -0.876 119.351 120.200 0.046 0.000 2.110 358 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 358 E C 1.885 178.554 176.600 0.116 0.000 0.988 358 E CA 0.679 57.113 56.400 0.058 0.000 0.804 358 E CB -0.469 29.256 29.700 0.042 0.000 0.745 358 E HN -0.018 nan 8.360 nan 0.000 0.458 359 L N 1.782 123.089 121.223 0.140 0.000 1.990 359 L HA -0.238 4.102 4.340 -0.001 0.000 0.213 359 L C 2.213 179.280 176.870 0.328 0.000 1.072 359 L CA 1.641 56.626 54.840 0.241 0.000 0.755 359 L CB -0.868 41.264 42.059 0.122 0.000 0.889 359 L HN 0.230 nan 8.230 nan 0.000 0.432 360 I N -0.841 119.841 120.570 0.186 0.000 2.076 360 I HA -0.341 3.828 4.170 -0.001 0.000 0.237 360 I C 2.608 178.824 176.117 0.166 0.000 1.059 360 I CA 1.716 63.118 61.300 0.170 0.000 1.317 360 I CB -0.946 37.119 38.000 0.109 0.000 1.037 360 I HN 0.352 nan 8.210 nan 0.000 0.398 361 R N 1.400 121.965 120.500 0.108 0.000 2.133 361 R HA -0.195 4.144 4.340 -0.001 0.000 0.247 361 R C 2.226 178.555 176.300 0.049 0.000 1.151 361 R CA 1.625 57.765 56.100 0.066 0.000 0.971 361 R CB -0.230 30.095 30.300 0.042 0.000 0.866 361 R HN 0.410 nan 8.270 nan 0.000 0.447 362 L N -0.596 120.659 121.223 0.054 0.000 2.341 362 L HA 0.015 4.354 4.340 -0.001 0.000 0.214 362 L C 0.606 177.256 176.870 -0.367 0.000 1.115 362 L CA 0.626 55.388 54.840 -0.130 0.000 0.820 362 L CB 0.225 42.160 42.059 -0.208 0.000 0.944 362 L HN 0.170 nan 8.230 nan 0.000 0.452 363 F N -0.575 119.432 119.950 0.094 0.000 2.791 363 F HA 0.495 5.021 4.527 -0.001 0.000 0.316 363 F C 0.968 176.800 175.800 0.055 0.000 1.134 363 F CA -0.339 57.694 58.000 0.055 0.000 1.222 363 F CB 0.098 39.118 39.000 0.034 0.000 1.034 363 F HN -0.039 nan 8.300 nan 0.000 0.516 364 G N 1.026 109.958 108.800 0.219 0.000 2.733 364 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.686 364 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.686 364 G C 0.186 175.169 174.900 0.137 0.000 1.373 364 G CA -0.769 44.419 45.100 0.145 0.000 0.838 364 G HN 0.225 nan 8.290 nan 0.000 0.588 365 K N -0.013 120.452 120.400 0.108 0.000 2.555 365 K HA 0.169 4.488 4.320 -0.001 0.000 0.193 365 K C 0.392 177.087 176.600 0.159 0.000 1.032 365 K CA 0.965 57.320 56.287 0.115 0.000 1.004 365 K CB 0.207 32.761 32.500 0.090 0.000 0.804 365 K HN 0.455 nan 8.250 nan 0.000 0.496 366 D N 1.048 121.540 120.400 0.154 0.000 2.499 366 D HA 0.305 4.944 4.640 -0.001 0.000 0.225 366 D C -0.592 175.882 176.300 0.290 0.000 1.124 366 D CA -0.012 54.114 54.000 0.210 0.000 0.938 366 D CB 0.327 41.133 40.800 0.009 0.000 1.014 366 D HN -0.012 nan 8.370 nan 0.000 0.517 367 L N 0.600 122.050 121.223 0.379 0.000 2.466 367 L HA 0.471 4.811 4.340 -0.001 0.000 0.258 367 L C -0.822 176.080 176.870 0.053 0.000 0.973 367 L CA -1.278 53.703 54.840 0.234 0.000 0.826 367 L CB 2.617 44.731 42.059 0.091 0.000 1.372 367 L HN -0.064 nan 8.230 nan 0.000 0.409 368 V N 1.047 120.910 119.914 -0.086 0.000 2.328 368 V HA 0.479 4.598 4.120 -0.001 0.000 0.278 368 V C -0.063 175.989 176.094 -0.070 0.000 1.021 368 V CA -0.512 61.674 62.300 -0.190 0.000 0.838 368 V CB 0.946 32.638 31.823 -0.218 0.000 0.999 368 V HN 0.439 nan 8.190 nan 0.000 0.447 369 I N 4.143 124.678 120.570 -0.057 0.000 2.342 369 I HA 0.370 4.539 4.170 -0.001 0.000 0.291 369 I C 0.322 176.410 176.117 -0.048 0.000 1.010 369 I CA 0.119 61.391 61.300 -0.048 0.000 1.308 369 I CB 1.090 39.070 38.000 -0.033 0.000 1.400 369 I HN 0.618 nan 8.210 nan 0.000 0.488 370 Q N 5.895 125.663 119.800 -0.054 0.000 2.357 370 Q HA 0.614 4.953 4.340 -0.001 0.000 0.266 370 Q C -0.886 175.076 176.000 -0.064 0.000 1.021 370 Q CA -0.498 55.271 55.803 -0.058 0.000 0.784 370 Q CB 1.859 30.552 28.738 -0.075 0.000 1.243 370 Q HN 0.827 nan 8.270 nan 0.000 0.465 371 A N 3.359 126.150 122.820 -0.048 0.000 2.992 371 A HA 0.400 4.719 4.320 -0.001 0.000 0.263 371 A C 1.051 178.622 177.584 -0.023 0.000 0.928 371 A CA 0.192 52.210 52.037 -0.030 0.000 1.061 371 A CB 0.168 19.160 19.000 -0.013 0.000 1.173 371 A HN 0.888 nan 8.150 nan 0.000 0.482 372 G N 1.198 109.976 108.800 -0.037 0.000 2.759 372 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.224 372 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.224 372 G C 1.524 176.414 174.900 -0.016 0.000 1.173 372 G CA 1.737 46.815 45.100 -0.036 0.000 0.770 372 G HN 1.049 nan 8.290 nan 0.000 0.626 373 G N 0.756 109.557 108.800 0.002 0.000 2.806 373 G HA2 0.001 3.960 3.960 -0.001 0.000 0.214 373 G HA3 0.001 3.960 3.960 -0.001 0.000 0.214 373 G C 1.918 176.838 174.900 0.034 0.000 1.331 373 G CA 1.656 46.767 45.100 0.018 0.000 0.807 373 G HN 1.065 nan 8.290 nan 0.000 0.644 374 G N -0.560 108.283 108.800 0.072 0.000 2.605 374 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.222 374 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.222 374 G C 1.526 176.476 174.900 0.082 0.000 1.092 374 G CA 1.684 46.851 45.100 0.112 0.000 0.730 374 G HN 0.454 nan 8.290 nan 0.000 0.588 375 V N 0.137 120.074 119.914 0.037 0.000 2.581 375 V HA 0.074 4.193 4.120 -0.001 0.000 0.240 375 V C 2.707 178.808 176.094 0.011 0.000 1.054 375 V CA 0.984 63.292 62.300 0.013 0.000 1.076 375 V CB -0.196 31.605 31.823 -0.037 0.000 0.748 375 V HN 0.197 nan 8.190 nan 0.000 0.474 376 M N 1.107 120.705 119.600 -0.004 0.000 2.279 376 M HA -0.026 4.453 4.480 -0.001 0.000 0.264 376 M C 2.207 178.523 176.300 0.026 0.000 1.062 376 M CA 1.840 57.141 55.300 0.002 0.000 1.099 376 M CB -1.409 31.194 32.600 0.005 0.000 1.394 376 M HN 0.483 nan 8.290 nan 0.000 0.426 377 G N -1.243 107.573 108.800 0.027 0.000 2.484 377 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.218 377 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.218 377 G C 0.728 175.648 174.900 0.034 0.000 1.130 377 G CA 0.014 45.123 45.100 0.014 0.000 0.784 377 G HN 0.467 nan 8.290 nan 0.000 0.543 378 H N 2.032 121.082 119.070 -0.032 0.000 3.064 378 H HA -0.002 4.553 4.556 -0.001 0.000 0.329 378 H C -0.888 174.423 175.328 -0.029 0.000 1.020 378 H CA -0.649 55.380 56.048 -0.031 0.000 1.402 378 H CB 1.699 31.445 29.762 -0.026 0.000 1.379 378 H HN 0.077 nan 8.280 nan 0.000 0.594 379 P HA -0.142 nan 4.420 nan 0.000 0.218 379 P C 0.638 177.901 177.300 -0.061 0.000 1.148 379 P CA 1.070 64.055 63.100 -0.191 0.000 0.822 379 P CB 0.450 31.965 31.700 -0.308 0.000 0.784 380 D N -0.505 119.939 120.400 0.073 0.000 2.340 380 D HA 0.231 4.870 4.640 -0.001 0.000 0.220 380 D C 1.232 177.654 176.300 0.203 0.000 1.039 380 D CA 0.844 54.994 54.000 0.250 0.000 0.866 380 D CB 0.157 41.222 40.800 0.442 0.000 0.913 380 D HN 0.216 nan 8.370 nan 0.000 0.523 381 G N 0.909 109.825 108.800 0.193 0.000 2.555 381 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.686 381 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.686 381 G C -2.056 172.869 174.900 0.041 0.000 1.275 381 G CA -0.351 44.796 45.100 0.079 0.000 0.871 381 G HN -0.153 nan 8.290 nan 0.000 0.603 382 P HA -0.135 nan 4.420 nan 0.000 0.218 382 P C 1.514 178.745 177.300 -0.115 0.000 1.149 382 P CA 1.368 64.432 63.100 -0.060 0.000 0.817 382 P CB 0.057 31.706 31.700 -0.084 0.000 0.785 383 R N 0.298 120.734 120.500 -0.108 0.000 2.189 383 R HA 0.043 4.382 4.340 -0.001 0.000 0.218 383 R C 1.905 178.100 176.300 -0.175 0.000 1.074 383 R CA 1.108 57.123 56.100 -0.141 0.000 0.991 383 R CB -0.452 29.774 30.300 -0.124 0.000 0.883 383 R HN 0.080 nan 8.270 nan 0.000 0.457 384 A N -0.302 122.378 122.820 -0.234 0.000 2.178 384 A HA 0.149 4.469 4.320 -0.001 0.000 0.211 384 A C 2.008 179.224 177.584 -0.614 0.000 1.157 384 A CA 0.665 52.481 52.037 -0.368 0.000 0.780 384 A CB -0.135 18.658 19.000 -0.345 0.000 0.828 384 A HN 0.476 nan 8.150 nan 0.000 0.476 385 G N -0.404 108.106 108.800 -0.484 0.000 2.448 385 G HA2 0.109 4.068 3.960 -0.001 0.000 0.218 385 G HA3 0.109 4.068 3.960 -0.001 0.000 0.218 385 G C 1.519 176.317 174.900 -0.169 0.000 1.135 385 G CA 1.128 46.045 45.100 -0.305 0.000 0.784 385 G HN 0.639 nan 8.290 nan 0.000 0.543 386 A N 0.590 123.310 122.820 -0.166 0.000 1.903 386 A HA 0.216 4.535 4.320 -0.001 0.000 0.213 386 A C 2.170 179.688 177.584 -0.110 0.000 1.185 386 A CA 1.802 53.768 52.037 -0.119 0.000 0.628 386 A CB -0.261 18.664 19.000 -0.125 0.000 0.830 386 A HN 0.271 nan 8.150 nan 0.000 0.446 387 K N 0.258 120.575 120.400 -0.137 0.000 2.113 387 K HA -0.102 4.218 4.320 -0.001 0.000 0.208 387 K C 2.003 178.559 176.600 -0.073 0.000 1.047 387 K CA 1.311 57.541 56.287 -0.096 0.000 0.928 387 K CB -0.421 32.020 32.500 -0.098 0.000 0.716 387 K HN 0.434 nan 8.250 nan 0.000 0.446 388 A N 0.908 123.665 122.820 -0.105 0.000 1.844 388 A HA -0.229 4.090 4.320 -0.001 0.000 0.214 388 A C 1.912 179.494 177.584 -0.002 0.000 1.217 388 A CA 1.857 53.872 52.037 -0.036 0.000 0.644 388 A CB -1.235 17.759 19.000 -0.010 0.000 0.850 388 A HN 0.346 nan 8.150 nan 0.000 0.456 389 L N -0.801 120.421 121.223 -0.001 0.000 2.302 389 L HA -0.224 4.115 4.340 -0.001 0.000 0.218 389 L C 2.323 179.194 176.870 0.001 0.000 1.100 389 L CA 2.028 56.873 54.840 0.008 0.000 0.774 389 L CB -0.702 41.354 42.059 -0.005 0.000 0.896 389 L HN 0.320 nan 8.230 nan 0.000 0.439 390 R N -0.417 120.078 120.500 -0.009 0.000 2.075 390 R HA -0.033 4.306 4.340 -0.001 0.000 0.226 390 R C 1.919 178.224 176.300 0.007 0.000 1.114 390 R CA 1.347 57.446 56.100 -0.003 0.000 0.972 390 R CB -0.767 29.527 30.300 -0.009 0.000 0.869 390 R HN 0.441 nan 8.270 nan 0.000 0.437 391 D N 0.346 120.750 120.400 0.006 0.000 2.149 391 D HA -0.017 4.622 4.640 -0.001 0.000 0.201 391 D C 1.690 178.003 176.300 0.021 0.000 0.972 391 D CA 1.206 55.214 54.000 0.013 0.000 0.835 391 D CB -0.055 40.752 40.800 0.011 0.000 0.966 391 D HN 0.129 nan 8.370 nan 0.000 0.476 392 A N 0.911 123.745 122.820 0.024 0.000 1.902 392 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 392 A C 2.316 179.917 177.584 0.027 0.000 1.181 392 A CA 1.025 53.080 52.037 0.031 0.000 0.623 392 A CB -0.624 18.400 19.000 0.040 0.000 0.818 392 A HN 0.207 nan 8.150 nan 0.000 0.443 393 I N -0.547 120.038 120.570 0.024 0.000 2.333 393 I HA -0.145 4.025 4.170 -0.001 0.000 0.246 393 I C 1.850 177.985 176.117 0.030 0.000 1.106 393 I CA 1.015 62.332 61.300 0.028 0.000 1.411 393 I CB -0.601 37.415 38.000 0.027 0.000 1.082 393 I HN 0.212 nan 8.210 nan 0.000 0.420 394 D N 1.878 122.294 120.400 0.027 0.000 2.108 394 D HA -0.219 4.420 4.640 -0.001 0.000 0.190 394 D C 2.308 178.624 176.300 0.028 0.000 0.995 394 D CA 1.985 56.001 54.000 0.027 0.000 0.834 394 D CB -0.344 40.470 40.800 0.023 0.000 0.967 394 D HN 0.336 nan 8.370 nan 0.000 0.446 395 A N 1.335 124.170 122.820 0.025 0.000 1.948 395 A HA -0.176 4.144 4.320 -0.001 0.000 0.220 395 A C 2.342 179.943 177.584 0.028 0.000 1.177 395 A CA 2.834 54.887 52.037 0.025 0.000 0.636 395 A CB -0.812 18.203 19.000 0.025 0.000 0.815 395 A HN 0.288 nan 8.150 nan 0.000 0.449 396 A N -0.006 122.833 122.820 0.031 0.000 1.851 396 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 396 A C 2.149 179.754 177.584 0.035 0.000 1.195 396 A CA 1.557 53.614 52.037 0.033 0.000 0.622 396 A CB -0.688 18.335 19.000 0.038 0.000 0.831 396 A HN 0.486 nan 8.150 nan 0.000 0.444 397 I N 0.043 120.635 120.570 0.038 0.000 2.145 397 I HA -0.293 3.876 4.170 -0.001 0.000 0.244 397 I C 1.840 177.977 176.117 0.033 0.000 1.075 397 I CA 1.997 63.320 61.300 0.039 0.000 1.332 397 I CB -0.602 37.423 38.000 0.042 0.000 1.033 397 I HN 0.491 nan 8.210 nan 0.000 0.410 398 E N 0.330 120.548 120.200 0.030 0.000 2.485 398 E HA 0.082 4.431 4.350 -0.001 0.000 0.194 398 E C 1.424 178.038 176.600 0.023 0.000 1.098 398 E CA 0.552 56.967 56.400 0.026 0.000 0.878 398 E CB -0.017 29.697 29.700 0.024 0.000 0.939 398 E HN 0.651 nan 8.360 nan 0.000 0.503 399 G N 0.629 109.444 108.800 0.024 0.000 2.640 399 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.226 399 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.226 399 G C 0.606 175.519 174.900 0.021 0.000 1.222 399 G CA -0.009 45.105 45.100 0.022 0.000 0.729 399 G HN 0.227 nan 8.290 nan 0.000 0.516 400 V N 2.978 122.905 119.914 0.020 0.000 2.839 400 V HA 0.036 4.156 4.120 -0.001 0.000 0.296 400 V C 0.998 177.104 176.094 0.020 0.000 1.239 400 V CA 0.733 63.045 62.300 0.019 0.000 1.349 400 V CB 0.466 32.301 31.823 0.019 0.000 0.852 400 V HN 0.561 nan 8.190 nan 0.000 0.504 401 D N 3.451 123.863 120.400 0.019 0.000 2.450 401 D HA 0.021 4.660 4.640 -0.001 0.000 0.247 401 D C 1.138 177.451 176.300 0.022 0.000 1.162 401 D CA -0.053 53.959 54.000 0.019 0.000 0.879 401 D CB 0.935 41.745 40.800 0.017 0.000 1.163 401 D HN 0.570 nan 8.370 nan 0.000 0.472 402 L N 3.339 124.576 121.223 0.024 0.000 2.189 402 L HA -0.204 4.136 4.340 -0.001 0.000 0.214 402 L C 1.634 178.521 176.870 0.028 0.000 1.097 402 L CA 1.139 55.996 54.840 0.029 0.000 0.764 402 L CB -0.045 42.033 42.059 0.033 0.000 0.900 402 L HN 0.467 nan 8.230 nan 0.000 0.436 403 D N -1.017 119.397 120.400 0.024 0.000 2.347 403 D HA -0.087 4.552 4.640 -0.001 0.000 0.213 403 D C 1.939 178.251 176.300 0.019 0.000 0.985 403 D CA 0.531 54.544 54.000 0.022 0.000 0.879 403 D CB 0.386 41.197 40.800 0.019 0.000 0.919 403 D HN 0.323 nan 8.370 nan 0.000 0.526 404 E N 0.512 120.723 120.200 0.019 0.000 2.099 404 E HA -0.058 4.291 4.350 -0.001 0.000 0.191 404 E C 1.898 178.509 176.600 0.019 0.000 0.962 404 E CA 0.386 56.797 56.400 0.017 0.000 0.826 404 E CB -0.147 29.562 29.700 0.016 0.000 0.788 404 E HN -0.016 nan 8.360 nan 0.000 0.461 405 K N 1.831 122.244 120.400 0.021 0.000 2.089 405 K HA -0.103 4.216 4.320 -0.001 0.000 0.210 405 K C 1.858 178.472 176.600 0.023 0.000 1.048 405 K CA 1.591 57.891 56.287 0.022 0.000 0.926 405 K CB -0.620 31.895 32.500 0.025 0.000 0.714 405 K HN 0.088 nan 8.250 nan 0.000 0.448 406 A N 0.565 123.400 122.820 0.025 0.000 2.019 406 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 406 A C 1.801 179.399 177.584 0.023 0.000 1.164 406 A CA 1.653 53.706 52.037 0.028 0.000 0.644 406 A CB -0.395 18.622 19.000 0.029 0.000 0.805 406 A HN 0.376 nan 8.150 nan 0.000 0.449 407 K N 0.073 120.485 120.400 0.020 0.000 2.365 407 K HA -0.061 4.258 4.320 -0.001 0.000 0.199 407 K C 1.751 178.360 176.600 0.016 0.000 1.045 407 K CA 1.402 57.699 56.287 0.016 0.000 0.962 407 K CB -0.005 32.504 32.500 0.015 0.000 0.759 407 K HN 0.682 nan 8.250 nan 0.000 0.469 408 S N -1.148 114.562 115.700 0.017 0.000 2.575 408 S HA 0.056 4.526 4.470 -0.001 0.000 0.230 408 S C 0.920 175.529 174.600 0.016 0.000 1.062 408 S CA -0.508 57.701 58.200 0.015 0.000 0.913 408 S CB 0.662 63.871 63.200 0.014 0.000 0.837 408 S HN -0.025 nan 8.310 nan 0.000 0.487 409 S N 4.008 119.720 115.700 0.019 0.000 2.512 409 S HA 0.392 4.861 4.470 -0.001 0.000 0.291 409 S C -1.576 173.043 174.600 0.030 0.000 1.151 409 S CA -1.935 56.277 58.200 0.020 0.000 1.120 409 S CB 0.986 64.198 63.200 0.019 0.000 1.029 409 S HN 0.188 nan 8.310 nan 0.000 0.485 410 P HA -0.161 nan 4.420 nan 0.000 0.214 410 P C 0.686 178.032 177.300 0.076 0.000 1.163 410 P CA 1.407 64.532 63.100 0.042 0.000 0.883 410 P CB 0.169 31.889 31.700 0.032 0.000 0.788 411 E N -0.346 119.897 120.200 0.071 0.000 2.265 411 E HA -0.117 4.233 4.350 -0.001 0.000 0.196 411 E C 2.052 178.754 176.600 0.169 0.000 0.996 411 E CA 0.466 56.947 56.400 0.134 0.000 0.832 411 E CB -0.989 28.642 29.700 -0.115 0.000 0.756 411 E HN 0.185 nan 8.360 nan 0.000 0.491 412 L N 1.012 122.284 121.223 0.082 0.000 2.007 412 L HA -0.062 4.278 4.340 -0.001 0.000 0.205 412 L C 2.008 178.931 176.870 0.088 0.000 1.073 412 L CA 1.835 56.724 54.840 0.082 0.000 0.744 412 L CB -0.465 41.624 42.059 0.050 0.000 0.898 412 L HN -0.083 nan 8.230 nan 0.000 0.435 413 K N 0.176 120.615 120.400 0.065 0.000 1.981 413 K HA -0.340 3.979 4.320 -0.001 0.000 0.228 413 K C 2.194 178.816 176.600 0.038 0.000 1.050 413 K CA 2.531 58.845 56.287 0.044 0.000 1.001 413 K CB -0.461 32.059 32.500 0.034 0.000 0.738 413 K HN 0.231 nan 8.250 nan 0.000 0.447 414 K N -0.048 120.375 120.400 0.039 0.000 2.588 414 K HA -0.153 4.166 4.320 -0.001 0.000 0.196 414 K C 1.615 178.171 176.600 -0.073 0.000 1.044 414 K CA 1.452 57.733 56.287 -0.011 0.000 0.934 414 K CB -0.105 32.392 32.500 -0.005 0.000 0.773 414 K HN 0.152 nan 8.250 nan 0.000 0.489 415 S N -0.896 114.809 115.700 0.008 0.000 2.506 415 S HA 0.192 4.661 4.470 -0.001 0.000 0.219 415 S C 1.385 175.987 174.600 0.002 0.000 1.031 415 S CA -0.390 57.812 58.200 0.003 0.000 0.911 415 S CB 0.224 63.549 63.200 0.209 0.000 0.812 415 S HN 0.269 nan 8.310 nan 0.000 0.497 416 L N 0.968 122.207 121.223 0.026 0.000 2.115 416 L HA 0.245 4.584 4.340 -0.001 0.000 0.200 416 L C 2.757 179.628 176.870 0.001 0.000 1.094 416 L CA 0.741 55.603 54.840 0.037 0.000 0.769 416 L CB -0.697 41.389 42.059 0.045 0.000 0.931 416 L HN 0.220 nan 8.230 nan 0.000 0.455 417 R N 0.326 120.824 120.500 -0.005 0.000 2.134 417 R HA -0.253 4.086 4.340 -0.001 0.000 0.248 417 R C 2.159 178.435 176.300 -0.040 0.000 1.143 417 R CA 2.009 58.098 56.100 -0.018 0.000 0.957 417 R CB -0.216 30.074 30.300 -0.017 0.000 0.867 417 R HN 0.315 nan 8.270 nan 0.000 0.441 418 E N 0.097 120.257 120.200 -0.067 0.000 2.047 418 E HA -0.104 4.245 4.350 -0.001 0.000 0.191 418 E C 1.936 178.476 176.600 -0.099 0.000 0.987 418 E CA 1.315 57.658 56.400 -0.095 0.000 0.799 418 E CB -0.047 29.564 29.700 -0.148 0.000 0.752 418 E HN 0.249 nan 8.360 nan 0.000 0.449 419 V N 0.624 120.469 119.914 -0.116 0.000 3.186 419 V HA -0.153 3.966 4.120 -0.001 0.000 0.270 419 V C 2.165 178.210 176.094 -0.082 0.000 1.149 419 V CA 1.378 63.581 62.300 -0.161 0.000 1.160 419 V CB -0.837 30.801 31.823 -0.308 0.000 0.758 419 V HN 0.256 nan 8.190 nan 0.000 0.516 420 G N 0.220 108.990 108.800 -0.050 0.000 2.404 420 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.214 420 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.214 420 G C 1.266 176.148 174.900 -0.030 0.000 1.189 420 G CA 0.179 45.263 45.100 -0.025 0.000 0.789 420 G HN 0.493 nan 8.290 nan 0.000 0.533 421 L N 1.499 122.698 121.223 -0.041 0.000 2.784 421 L HA 0.060 4.399 4.340 -0.001 0.000 0.247 421 L C 1.889 178.733 176.870 -0.043 0.000 1.162 421 L CA 0.225 55.041 54.840 -0.040 0.000 0.881 421 L CB -0.041 41.991 42.059 -0.045 0.000 1.032 421 L HN 0.206 nan 8.230 nan 0.000 0.446 422 S N -1.427 114.246 115.700 -0.046 0.000 2.619 422 S HA 0.081 4.551 4.470 -0.001 0.000 0.238 422 S C 0.525 175.107 174.600 -0.030 0.000 1.068 422 S CA -0.263 57.910 58.200 -0.045 0.000 0.926 422 S CB 0.582 63.743 63.200 -0.065 0.000 0.864 422 S HN 0.422 nan 8.310 nan 0.000 0.493 423 K N 1.354 121.741 120.400 -0.021 0.000 2.159 423 K HA 0.856 5.176 4.320 -0.001 0.000 0.266 423 K C -0.581 176.014 176.600 -0.007 0.000 0.975 423 K CA -0.691 55.592 56.287 -0.007 0.000 0.865 423 K CB 1.792 34.295 32.500 0.006 0.000 1.087 423 K HN 0.091 nan 8.250 nan 0.000 0.446 424 A N 0.000 122.817 122.820 -0.005 0.000 2.254 424 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 424 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 424 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 424 A HN 0.000 nan 8.150 nan 0.000 0.486