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 2fyu_1_B DATA FIRST_RESID 17 DATA SEQUENCE VPPHPQDLEF TRLPNGLVIA SLENYAPASR IGLFIKAGSR YENSNNLGTS DATA SEQUENCE HLLRLASSLT TKGASSFKIT RGIEAVGGKL SVTSTRENMA YTVECLRDDV DATA SEQUENCE DILMEFLLNV TTAPEFRRWE VAALQPQLRI DKAVALQNPQ AHVIENLHAA DATA SEQUENCE AYRNALANSL YCPDYRIGKV TPVELHDYVQ NHFTSARMAL IGLGVSHPVL DATA SEQUENCE KQVAEQFLNI RGGLGLSGAK AKYHGGEIRE QNGDSLVHAA LVAESAAIGS DATA SEQUENCE AEANAFSVLQ HVLGAGPHVK RGSNATSSLY QAVAKGVHQP FDVSAFNASY DATA SEQUENCE SDSGLFGFYT ISQAASAGDV IKAAYNQVKT IAQGNLSNPD VQAAKNKLKA DATA SEQUENCE GYLMSVESSE GFLDEVGSQA LAAGSYTPPS TVLQQIDAVA DADVINAAKK DATA SEQUENCE FVSGRKSMAA SGNLGHTPFI DEL 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 17 V HA 0.000 nan 4.120 nan 0.000 0.244 17 V C 0.000 176.087 176.094 -0.011 0.000 1.182 17 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 17 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 18 P HA 0.614 nan 4.420 nan 0.000 0.276 18 P C -2.679 174.622 177.300 0.002 0.000 1.261 18 P CA -0.957 62.138 63.100 -0.008 0.000 0.800 18 P CB -0.045 31.648 31.700 -0.011 0.000 1.066 19 P HA -0.050 nan 4.420 nan 0.000 0.257 19 P C 0.005 177.355 177.300 0.084 0.000 1.162 19 P CA 0.461 63.580 63.100 0.032 0.000 0.762 19 P CB -0.184 31.522 31.700 0.011 0.000 0.753 20 H N 5.103 124.181 119.070 0.013 0.000 3.192 20 H HA 0.016 4.572 4.556 -0.000 0.000 0.295 20 H C -1.219 174.141 175.328 0.054 0.000 0.943 20 H CA -0.945 55.118 56.048 0.025 0.000 1.416 20 H CB 0.077 29.851 29.762 0.020 0.000 1.434 20 H HN 0.321 nan 8.280 nan 0.000 0.565 21 P HA -0.047 nan 4.420 nan 0.000 0.267 21 P C -0.563 176.850 177.300 0.188 0.000 1.205 21 P CA -0.155 63.034 63.100 0.149 0.000 0.765 21 P CB 0.802 32.529 31.700 0.045 0.000 0.828 22 Q N 1.894 121.778 119.800 0.140 0.000 2.386 22 Q HA 0.030 4.370 4.340 -0.000 0.000 0.282 22 Q C -0.170 175.862 176.000 0.052 0.000 1.050 22 Q CA 0.640 56.492 55.803 0.081 0.000 0.918 22 Q CB 0.259 29.006 28.738 0.015 0.000 1.266 22 Q HN 0.451 nan 8.270 nan 0.000 0.423 23 D N 1.147 121.578 120.400 0.052 0.000 2.345 23 D HA 0.154 4.794 4.640 -0.000 0.000 0.247 23 D C 0.019 176.335 176.300 0.026 0.000 1.108 23 D CA -0.392 53.641 54.000 0.056 0.000 0.894 23 D CB 0.562 41.399 40.800 0.062 0.000 1.203 23 D HN 0.337 nan 8.370 nan 0.000 0.430 24 L N 2.068 123.316 121.223 0.042 0.000 2.615 24 L HA -0.049 4.291 4.340 -0.000 0.000 0.284 24 L C 0.269 177.133 176.870 -0.010 0.000 1.237 24 L CA 0.681 55.520 54.840 -0.001 0.000 0.905 24 L CB 0.210 42.195 42.059 -0.124 0.000 1.149 24 L HN 0.270 nan 8.230 nan 0.000 0.499 25 E N 5.386 125.528 120.200 -0.097 0.000 2.183 25 E HA 0.344 4.694 4.350 -0.000 0.000 0.271 25 E C -1.360 175.108 176.600 -0.221 0.000 0.919 25 E CA -0.505 55.715 56.400 -0.299 0.000 0.781 25 E CB 2.460 31.726 29.700 -0.723 0.000 1.140 25 E HN 0.432 nan 8.360 nan 0.000 0.402 26 F N 0.754 120.555 119.950 -0.250 0.000 2.574 26 F HA 0.333 4.860 4.527 -0.000 0.000 0.313 26 F C -1.068 174.789 175.800 0.095 0.000 1.130 26 F CA -0.215 57.789 58.000 0.007 0.000 0.936 26 F CB 2.222 41.244 39.000 0.036 0.000 1.219 26 F HN 0.186 nan 8.300 nan 0.000 0.445 27 T N 5.602 120.083 114.554 -0.121 0.000 3.109 27 T HA 0.384 4.734 4.350 -0.000 0.000 0.311 27 T C -0.785 173.806 174.700 -0.181 0.000 1.011 27 T CA -0.731 61.374 62.100 0.008 0.000 1.026 27 T CB 1.357 70.307 68.868 0.136 0.000 1.047 27 T HN 0.461 nan 8.240 nan 0.000 0.448 28 R N 2.702 123.195 120.500 -0.012 0.000 2.308 28 R HA 0.503 4.843 4.340 -0.000 0.000 0.305 28 R C -0.228 176.073 176.300 0.002 0.000 1.053 28 R CA -0.571 55.528 56.100 -0.000 0.000 0.957 28 R CB 1.040 31.399 30.300 0.098 0.000 1.022 28 R HN 0.497 nan 8.270 nan 0.000 0.461 29 L N 4.479 125.690 121.223 -0.021 0.000 2.421 29 L HA 0.253 4.593 4.340 -0.000 0.000 0.263 29 L C -1.224 175.646 176.870 0.001 0.000 1.122 29 L CA -2.009 52.823 54.840 -0.013 0.000 0.804 29 L CB 0.923 42.964 42.059 -0.029 0.000 1.150 29 L HN 0.319 nan 8.230 nan 0.000 0.457 30 P HA -0.171 nan 4.420 nan 0.000 0.217 30 P C 0.785 178.086 177.300 0.002 0.000 1.148 30 P CA 1.201 64.304 63.100 0.005 0.000 0.828 30 P CB -0.052 31.649 31.700 0.002 0.000 0.783 31 N N -1.322 117.376 118.700 -0.004 0.000 2.494 31 N HA 0.003 4.743 4.740 -0.000 0.000 0.182 31 N C 1.323 176.832 175.510 -0.002 0.000 1.076 31 N CA 1.357 54.404 53.050 -0.005 0.000 0.908 31 N CB -0.956 37.525 38.487 -0.010 0.000 0.967 31 N HN 0.233 nan 8.380 nan 0.000 0.449 32 G N -0.551 108.249 108.800 0.000 0.000 2.213 32 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.226 32 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.226 32 G C -0.228 174.670 174.900 -0.004 0.000 0.992 32 G CA 0.057 45.161 45.100 0.006 0.000 0.632 32 G HN 0.456 nan 8.290 nan 0.000 0.511 33 L N 2.040 123.252 121.223 -0.018 0.000 2.513 33 L HA 0.508 4.848 4.340 -0.000 0.000 0.272 33 L C 0.630 177.456 176.870 -0.074 0.000 1.187 33 L CA -0.063 54.755 54.840 -0.037 0.000 0.895 33 L CB 0.911 42.949 42.059 -0.035 0.000 1.147 33 L HN 0.052 nan 8.230 nan 0.000 0.483 34 V N 6.782 126.631 119.914 -0.108 0.000 2.481 34 V HA 0.363 4.483 4.120 -0.000 0.000 0.286 34 V C 0.012 175.947 176.094 -0.265 0.000 1.042 34 V CA -0.354 61.798 62.300 -0.246 0.000 0.928 34 V CB 1.575 33.253 31.823 -0.242 0.000 0.986 34 V HN 0.544 nan 8.190 nan 0.000 0.462 35 I N 4.191 124.551 120.570 -0.350 0.000 2.436 35 I HA 0.777 4.947 4.170 -0.000 0.000 0.289 35 I C 0.073 176.042 176.117 -0.246 0.000 1.010 35 I CA -0.351 60.793 61.300 -0.259 0.000 1.098 35 I CB 1.859 39.704 38.000 -0.260 0.000 1.266 35 I HN 0.610 nan 8.210 nan 0.000 0.434 36 A N 4.311 127.050 122.820 -0.135 0.000 2.343 36 A HA 0.886 5.206 4.320 -0.000 0.000 0.308 36 A C -0.424 177.209 177.584 0.083 0.000 1.092 36 A CA -0.480 51.556 52.037 -0.002 0.000 0.751 36 A CB 1.387 20.362 19.000 -0.041 0.000 1.203 36 A HN 0.725 nan 8.150 nan 0.000 0.452 37 S N 1.710 117.515 115.700 0.175 0.000 2.541 37 S HA 0.775 5.245 4.470 -0.000 0.000 0.280 37 S C -1.206 173.437 174.600 0.072 0.000 1.112 37 S CA -0.630 57.656 58.200 0.143 0.000 0.925 37 S CB 1.506 64.838 63.200 0.220 0.000 1.067 37 S HN 1.463 nan 8.310 nan 0.000 0.479 38 L N 1.604 122.870 121.223 0.071 0.000 2.362 38 L HA 0.717 5.057 4.340 -0.000 0.000 0.275 38 L C -0.494 176.343 176.870 -0.054 0.000 0.998 38 L CA -0.325 54.529 54.840 0.023 0.000 0.820 38 L CB 1.830 43.938 42.059 0.082 0.000 1.270 38 L HN 0.910 nan 8.230 nan 0.000 0.415 39 E N 3.188 123.301 120.200 -0.146 0.000 2.028 39 E HA 0.155 4.505 4.350 -0.000 0.000 0.275 39 E C -0.545 175.808 176.600 -0.413 0.000 1.171 39 E CA -0.105 56.092 56.400 -0.338 0.000 1.186 39 E CB -0.360 29.055 29.700 -0.475 0.000 1.256 39 E HN 0.628 nan 8.360 nan 0.000 0.474 40 N N 1.464 120.024 118.700 -0.233 0.000 2.420 40 N HA -0.030 4.710 4.740 -0.000 0.000 0.262 40 N C -0.660 174.782 175.510 -0.113 0.000 1.144 40 N CA -0.462 52.504 53.050 -0.140 0.000 0.952 40 N CB 0.394 38.819 38.487 -0.103 0.000 1.081 40 N HN 0.196 nan 8.380 nan 0.000 0.480 41 Y N 2.217 122.513 120.300 -0.006 0.000 3.096 41 Y HA 0.145 4.695 4.550 -0.000 0.000 0.377 41 Y C 0.873 176.773 175.900 0.000 0.000 1.107 41 Y CA -0.421 57.681 58.100 0.002 0.000 2.045 41 Y CB -0.635 37.828 38.460 0.005 0.000 2.203 41 Y HN 0.667 nan 8.280 nan 0.000 0.408 42 A N 1.045 123.915 122.820 0.084 0.000 2.295 42 A HA 0.466 4.786 4.320 -0.000 0.000 0.318 42 A C -1.530 176.083 177.584 0.049 0.000 1.134 42 A CA -1.640 50.428 52.037 0.052 0.000 0.827 42 A CB 0.836 19.848 19.000 0.019 0.000 1.136 42 A HN 0.255 nan 8.150 nan 0.000 0.493 43 P HA 0.051 nan 4.420 nan 0.000 0.221 43 P C 0.337 177.654 177.300 0.029 0.000 1.150 43 P CA 1.553 64.674 63.100 0.035 0.000 0.800 43 P CB 0.189 31.906 31.700 0.028 0.000 0.787 44 A N -0.843 121.992 122.820 0.025 0.000 2.325 44 A HA 0.621 4.941 4.320 -0.000 0.000 0.333 44 A C 0.011 177.610 177.584 0.024 0.000 1.155 44 A CA -0.254 51.797 52.037 0.024 0.000 0.814 44 A CB 0.838 19.852 19.000 0.023 0.000 1.206 44 A HN -0.061 nan 8.150 nan 0.000 0.482 45 S N 0.218 115.933 115.700 0.025 0.000 2.593 45 S HA 0.681 5.151 4.470 -0.000 0.000 0.297 45 S C -0.181 174.441 174.600 0.036 0.000 1.112 45 S CA -0.618 57.598 58.200 0.027 0.000 1.043 45 S CB 1.346 64.559 63.200 0.022 0.000 1.054 45 S HN 0.651 nan 8.310 nan 0.000 0.516 46 R N 1.986 122.515 120.500 0.048 0.000 2.513 46 R HA 0.520 4.860 4.340 -0.000 0.000 0.301 46 R C -1.432 174.909 176.300 0.068 0.000 0.968 46 R CA -0.457 55.679 56.100 0.060 0.000 0.872 46 R CB 0.644 30.990 30.300 0.076 0.000 1.177 46 R HN 0.533 nan 8.270 nan 0.000 0.444 47 I N 2.781 123.387 120.570 0.060 0.000 2.406 47 I HA 0.454 4.624 4.170 -0.000 0.000 0.290 47 I C 0.312 176.469 176.117 0.068 0.000 0.999 47 I CA -0.703 60.636 61.300 0.065 0.000 1.124 47 I CB 1.640 39.666 38.000 0.043 0.000 1.289 47 I HN 0.704 nan 8.210 nan 0.000 0.441 48 G N 5.862 114.732 108.800 0.117 0.000 2.530 48 G HA2 0.589 4.549 3.960 -0.000 0.000 0.316 48 G HA3 0.589 4.549 3.960 -0.000 0.000 0.316 48 G C -1.530 173.443 174.900 0.121 0.000 1.298 48 G CA -0.468 44.671 45.100 0.065 0.000 0.948 48 G HN 0.438 nan 8.290 nan 0.000 0.486 49 L N 2.459 123.679 121.223 -0.005 0.000 2.262 49 L HA 0.674 5.014 4.340 -0.000 0.000 0.288 49 L C -1.251 175.583 176.870 -0.060 0.000 1.035 49 L CA -0.743 54.116 54.840 0.032 0.000 0.820 49 L CB 0.313 42.360 42.059 -0.020 0.000 1.204 49 L HN 0.350 nan 8.230 nan 0.000 0.424 50 F N 5.968 125.905 119.950 -0.023 0.000 2.427 50 F HA 0.605 5.132 4.527 -0.000 0.000 0.346 50 F C -0.027 175.728 175.800 -0.074 0.000 1.120 50 F CA -0.331 57.653 58.000 -0.026 0.000 1.033 50 F CB 1.204 40.196 39.000 -0.013 0.000 1.126 50 F HN 0.232 nan 8.300 nan 0.000 0.462 51 I N 2.910 123.507 120.570 0.045 0.000 2.647 51 I HA 0.296 4.466 4.170 -0.000 0.000 0.295 51 I C -0.382 175.723 176.117 -0.020 0.000 1.078 51 I CA -0.957 60.281 61.300 -0.103 0.000 1.048 51 I CB 2.121 39.837 38.000 -0.472 0.000 1.239 51 I HN 0.372 nan 8.210 nan 0.000 0.421 52 K N 4.701 125.079 120.400 -0.036 0.000 2.278 52 K HA 0.450 4.770 4.320 -0.000 0.000 0.237 52 K C 0.311 176.776 176.600 -0.224 0.000 1.229 52 K CA -0.004 56.265 56.287 -0.029 0.000 1.155 52 K CB 0.320 32.767 32.500 -0.089 0.000 1.590 52 K HN 0.785 nan 8.250 nan 0.000 0.290 53 A N 1.185 124.031 122.820 0.042 0.000 2.665 53 A HA 0.210 4.530 4.320 -0.000 0.000 0.268 53 A C 0.791 178.603 177.584 0.379 0.000 1.044 53 A CA -0.296 51.809 52.037 0.114 0.000 0.993 53 A CB 0.511 19.639 19.000 0.213 0.000 1.229 53 A HN 0.554 nan 8.150 nan 0.000 0.576 54 G N 0.228 109.237 108.800 0.347 0.000 2.716 54 G HA2 0.304 4.264 3.960 -0.000 0.000 0.251 54 G HA3 0.304 4.264 3.960 -0.000 0.000 0.251 54 G C 1.237 176.230 174.900 0.155 0.000 1.224 54 G CA 0.493 45.710 45.100 0.195 0.000 0.891 54 G HN 0.844 nan 8.290 nan 0.000 0.561 55 S N -0.481 115.216 115.700 -0.005 0.000 2.440 55 S HA -0.236 4.234 4.470 -0.000 0.000 0.238 55 S C 2.096 176.633 174.600 -0.105 0.000 1.010 55 S CA 1.389 59.559 58.200 -0.051 0.000 0.972 55 S CB -0.361 62.762 63.200 -0.129 0.000 0.774 55 S HN 0.843 nan 8.310 nan 0.000 0.501 56 R N 0.607 120.945 120.500 -0.269 0.000 2.211 56 R HA -0.134 4.206 4.340 -0.000 0.000 0.240 56 R C 1.227 177.256 176.300 -0.452 0.000 1.144 56 R CA 1.623 57.458 56.100 -0.441 0.000 0.992 56 R CB -0.853 29.068 30.300 -0.632 0.000 0.869 56 R HN 0.565 nan 8.270 nan 0.000 0.462 57 Y N 1.157 121.439 120.300 -0.031 0.000 2.490 57 Y HA 0.200 4.750 4.550 -0.000 0.000 0.281 57 Y C 0.220 176.175 175.900 0.092 0.000 1.174 57 Y CA -0.401 57.658 58.100 -0.068 0.000 1.295 57 Y CB 0.214 38.407 38.460 -0.444 0.000 1.062 57 Y HN 0.133 nan 8.280 nan 0.000 0.522 58 E N 1.533 121.884 120.200 0.251 0.000 2.366 58 E HA 0.094 4.444 4.350 -0.000 0.000 0.266 58 E C -0.334 176.345 176.600 0.132 0.000 1.051 58 E CA -0.399 56.144 56.400 0.238 0.000 0.884 58 E CB 0.514 30.289 29.700 0.125 0.000 1.006 58 E HN 0.400 nan 8.360 nan 0.000 0.417 59 N N -0.602 118.179 118.700 0.136 0.000 2.741 59 N HA 0.174 4.914 4.740 -0.000 0.000 0.310 59 N C 0.213 175.774 175.510 0.084 0.000 1.295 59 N CA -0.742 52.363 53.050 0.093 0.000 0.893 59 N CB 0.578 39.121 38.487 0.093 0.000 1.247 59 N HN 0.142 nan 8.380 nan 0.000 0.596 60 S N -0.766 114.979 115.700 0.074 0.000 2.420 60 S HA -0.129 4.341 4.470 -0.000 0.000 0.237 60 S C 0.931 175.592 174.600 0.102 0.000 1.023 60 S CA 1.029 59.279 58.200 0.084 0.000 0.991 60 S CB -0.647 62.590 63.200 0.062 0.000 0.792 60 S HN 0.533 nan 8.310 nan 0.000 0.488 61 N N 1.980 120.732 118.700 0.087 0.000 2.422 61 N HA 0.017 4.757 4.740 -0.000 0.000 0.181 61 N C 0.496 176.052 175.510 0.076 0.000 1.080 61 N CA 0.462 53.562 53.050 0.084 0.000 0.893 61 N CB -0.011 38.517 38.487 0.068 0.000 0.973 61 N HN 0.626 nan 8.380 nan 0.000 0.456 62 N N 0.019 118.762 118.700 0.073 0.000 2.475 62 N HA 0.045 4.785 4.740 -0.000 0.000 0.272 62 N C -0.767 174.744 175.510 0.001 0.000 1.482 62 N CA -0.187 52.887 53.050 0.041 0.000 0.863 62 N CB -0.582 37.951 38.487 0.078 0.000 1.400 62 N HN -0.047 nan 8.380 nan 0.000 0.489 63 L N 0.511 121.736 121.223 0.003 0.000 2.490 63 L HA 0.357 4.697 4.340 -0.000 0.000 0.274 63 L C 1.549 178.359 176.870 -0.100 0.000 1.201 63 L CA 1.216 56.040 54.840 -0.027 0.000 0.869 63 L CB 0.266 42.338 42.059 0.021 0.000 1.123 63 L HN 0.510 nan 8.230 nan 0.000 0.484 64 G N 1.450 110.194 108.800 -0.093 0.000 2.195 64 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.246 64 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.246 64 G C 0.875 175.684 174.900 -0.151 0.000 0.984 64 G CA 0.464 45.511 45.100 -0.088 0.000 0.633 64 G HN 0.623 nan 8.290 nan 0.000 0.525 65 T N 1.385 115.803 114.554 -0.228 0.000 2.699 65 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 65 T C 2.749 177.160 174.700 -0.481 0.000 1.036 65 T CA 2.973 64.859 62.100 -0.355 0.000 1.147 65 T CB -0.386 68.258 68.868 -0.374 0.000 0.862 65 T HN 1.294 nan 8.240 nan 0.000 0.446 66 S N 0.391 115.761 115.700 -0.551 0.000 2.436 66 S HA -0.103 4.367 4.470 -0.000 0.000 0.228 66 S C 1.812 176.328 174.600 -0.140 0.000 1.014 66 S CA 0.898 58.841 58.200 -0.428 0.000 0.950 66 S CB -0.685 62.309 63.200 -0.344 0.000 0.784 66 S HN 0.741 nan 8.310 nan 0.000 0.504 67 H N 0.460 119.392 119.070 -0.230 0.000 2.270 67 H HA -0.043 4.513 4.556 -0.000 0.000 0.299 67 H C 2.187 177.434 175.328 -0.135 0.000 1.077 67 H CA 1.480 57.425 56.048 -0.173 0.000 1.294 67 H CB -0.195 29.482 29.762 -0.141 0.000 1.371 67 H HN 0.384 nan 8.280 nan 0.000 0.491 68 L N 1.130 122.267 121.223 -0.144 0.000 2.079 68 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 68 L C 2.439 179.227 176.870 -0.136 0.000 1.081 68 L CA 1.169 55.888 54.840 -0.203 0.000 0.752 68 L CB -0.776 41.146 42.059 -0.228 0.000 0.896 68 L HN 0.383 nan 8.230 nan 0.000 0.433 69 L N -0.647 120.493 121.223 -0.139 0.000 2.012 69 L HA -0.278 4.062 4.340 -0.000 0.000 0.210 69 L C 2.821 179.752 176.870 0.103 0.000 1.073 69 L CA 1.831 56.658 54.840 -0.020 0.000 0.748 69 L CB -0.330 41.723 42.059 -0.010 0.000 0.891 69 L HN 0.362 nan 8.230 nan 0.000 0.431 70 R N 0.157 120.687 120.500 0.051 0.000 2.127 70 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 70 R C 2.007 178.310 176.300 0.006 0.000 1.134 70 R CA 1.342 57.444 56.100 0.004 0.000 0.975 70 R CB -0.187 30.106 30.300 -0.012 0.000 0.865 70 R HN 0.399 nan 8.270 nan 0.000 0.447 71 L N -0.063 121.172 121.223 0.020 0.000 2.554 71 L HA 0.147 4.487 4.340 -0.000 0.000 0.226 71 L C 1.581 178.462 176.870 0.017 0.000 1.137 71 L CA 0.402 55.242 54.840 -0.001 0.000 0.863 71 L CB 0.065 42.089 42.059 -0.059 0.000 0.985 71 L HN 0.232 nan 8.230 nan 0.000 0.451 72 A N -0.505 122.355 122.820 0.067 0.000 2.500 72 A HA 0.111 4.431 4.320 -0.000 0.000 0.267 72 A C 2.036 179.710 177.584 0.151 0.000 1.290 72 A CA 0.460 52.569 52.037 0.120 0.000 0.928 72 A CB -0.138 18.982 19.000 0.200 0.000 1.066 72 A HN 0.351 nan 8.150 nan 0.000 0.516 73 S N 0.135 115.913 115.700 0.130 0.000 2.428 73 S HA -0.102 4.368 4.470 -0.000 0.000 0.230 73 S C 1.600 176.241 174.600 0.069 0.000 1.014 73 S CA 1.302 59.602 58.200 0.167 0.000 0.957 73 S CB -0.543 62.764 63.200 0.177 0.000 0.784 73 S HN 0.896 nan 8.310 nan 0.000 0.499 74 S N 1.058 116.768 115.700 0.016 0.000 2.622 74 S HA 0.432 4.902 4.470 -0.000 0.000 0.236 74 S C 0.328 174.911 174.600 -0.028 0.000 0.956 74 S CA -0.806 57.374 58.200 -0.034 0.000 0.971 74 S CB -0.604 62.559 63.200 -0.062 0.000 0.782 74 S HN 0.443 nan 8.310 nan 0.000 0.468 75 L N 1.605 122.818 121.223 -0.016 0.000 2.439 75 L HA 0.344 4.684 4.340 -0.000 0.000 0.259 75 L C 0.509 177.333 176.870 -0.075 0.000 1.129 75 L CA -0.687 54.133 54.840 -0.034 0.000 0.803 75 L CB 0.444 42.489 42.059 -0.022 0.000 1.161 75 L HN 0.127 nan 8.230 nan 0.000 0.462 76 T N 0.909 115.421 114.554 -0.071 0.000 2.902 76 T HA 0.182 4.532 4.350 -0.000 0.000 0.301 76 T C 0.381 175.001 174.700 -0.134 0.000 1.012 76 T CA -0.169 61.894 62.100 -0.062 0.000 1.151 76 T CB 0.327 69.187 68.868 -0.014 0.000 0.946 76 T HN 0.775 nan 8.240 nan 0.000 0.542 77 T N 0.449 114.949 114.554 -0.089 0.000 2.940 77 T HA 0.494 4.844 4.350 -0.000 0.000 0.288 77 T C 1.108 175.778 174.700 -0.050 0.000 1.045 77 T CA -1.127 60.909 62.100 -0.107 0.000 1.018 77 T CB 1.481 70.304 68.868 -0.075 0.000 1.151 77 T HN 0.291 nan 8.240 nan 0.000 0.529 78 K N 0.282 120.652 120.400 -0.050 0.000 2.209 78 K HA 0.129 4.449 4.320 -0.000 0.000 0.204 78 K C 2.037 178.638 176.600 0.003 0.000 1.048 78 K CA 1.570 57.847 56.287 -0.018 0.000 0.940 78 K CB -0.443 32.047 32.500 -0.016 0.000 0.729 78 K HN 0.779 nan 8.250 nan 0.000 0.451 79 G N -1.360 107.442 108.800 0.003 0.000 2.850 79 G HA2 0.388 4.348 3.960 -0.000 0.000 0.211 79 G HA3 0.388 4.348 3.960 -0.000 0.000 0.211 79 G C -0.293 174.636 174.900 0.049 0.000 1.124 79 G CA 0.290 45.396 45.100 0.010 0.000 0.769 79 G HN 0.274 nan 8.290 nan 0.000 0.535 80 A N 0.453 123.324 122.820 0.084 0.000 2.459 80 A HA 0.674 4.994 4.320 -0.000 0.000 0.296 80 A C 0.083 177.727 177.584 0.101 0.000 1.039 80 A CA -0.033 52.099 52.037 0.158 0.000 0.698 80 A CB 1.060 20.266 19.000 0.343 0.000 1.261 80 A HN 0.781 nan 8.150 nan 0.000 0.405 81 S N 1.492 117.259 115.700 0.113 0.000 2.589 81 S HA 0.284 4.754 4.470 -0.000 0.000 0.265 81 S C 1.407 176.048 174.600 0.068 0.000 1.342 81 S CA 0.499 58.760 58.200 0.102 0.000 1.005 81 S CB 1.161 64.451 63.200 0.149 0.000 0.909 81 S HN 1.461 nan 8.310 nan 0.000 0.555 82 S N 0.881 116.622 115.700 0.068 0.000 2.368 82 S HA -0.199 4.271 4.470 -0.000 0.000 0.226 82 S C 1.442 176.066 174.600 0.040 0.000 1.044 82 S CA 1.869 60.094 58.200 0.042 0.000 1.062 82 S CB -0.983 62.258 63.200 0.068 0.000 0.931 82 S HN 0.725 nan 8.310 nan 0.000 0.440 83 F N 1.999 121.934 119.950 -0.025 0.000 2.095 83 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 83 F C 2.351 178.119 175.800 -0.054 0.000 1.104 83 F CA 2.281 60.263 58.000 -0.029 0.000 1.232 83 F CB -0.443 38.557 39.000 -0.000 0.000 0.987 83 F HN 0.169 nan 8.300 nan 0.000 0.475 84 K N 0.435 120.854 120.400 0.032 0.000 2.026 84 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 84 K C 2.120 178.503 176.600 -0.362 0.000 1.048 84 K CA 2.056 58.315 56.287 -0.048 0.000 0.929 84 K CB -0.381 32.225 32.500 0.176 0.000 0.713 84 K HN 0.361 nan 8.250 nan 0.000 0.439 85 I N 0.621 120.908 120.570 -0.472 0.000 2.118 85 I HA -0.328 3.842 4.170 -0.000 0.000 0.241 85 I C 2.213 177.923 176.117 -0.678 0.000 1.070 85 I CA 1.706 62.486 61.300 -0.868 0.000 1.327 85 I CB -0.490 37.232 38.000 -0.463 0.000 1.034 85 I HN 0.239 nan 8.210 nan 0.000 0.405 86 T N 0.273 114.573 114.554 -0.424 0.000 2.737 86 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 86 T C 2.057 176.546 174.700 -0.351 0.000 1.038 86 T CA 0.991 62.893 62.100 -0.330 0.000 1.144 86 T CB -0.114 68.603 68.868 -0.253 0.000 0.866 86 T HN 0.190 nan 8.240 nan 0.000 0.434 87 R N 0.770 120.995 120.500 -0.459 0.000 2.075 87 R HA 0.132 4.472 4.340 -0.000 0.000 0.226 87 R C 2.866 179.032 176.300 -0.223 0.000 1.114 87 R CA 1.253 57.112 56.100 -0.402 0.000 0.972 87 R CB -1.292 28.616 30.300 -0.653 0.000 0.869 87 R HN 0.484 nan 8.270 nan 0.000 0.437 88 G N 1.333 110.016 108.800 -0.194 0.000 2.418 88 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 88 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 88 G C 1.629 176.571 174.900 0.069 0.000 1.158 88 G CA 0.469 45.598 45.100 0.049 0.000 0.771 88 G HN 0.194 nan 8.290 nan 0.000 0.545 89 I N 0.428 120.908 120.570 -0.149 0.000 2.179 89 I HA -0.141 4.029 4.170 -0.000 0.000 0.242 89 I C 2.748 178.834 176.117 -0.051 0.000 1.088 89 I CA 1.261 62.517 61.300 -0.073 0.000 1.357 89 I CB -0.253 37.647 38.000 -0.167 0.000 1.051 89 I HN 0.218 nan 8.210 nan 0.000 0.409 90 E N 0.836 120.977 120.200 -0.097 0.000 2.150 90 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 90 E C 2.343 178.917 176.600 -0.043 0.000 0.985 90 E CA 1.072 57.428 56.400 -0.073 0.000 0.814 90 E CB -0.133 29.508 29.700 -0.097 0.000 0.752 90 E HN 0.510 nan 8.360 nan 0.000 0.466 91 A N 1.198 123.996 122.820 -0.037 0.000 1.940 91 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 91 A C 2.372 179.960 177.584 0.007 0.000 1.176 91 A CA 1.671 53.702 52.037 -0.011 0.000 0.631 91 A CB -0.524 18.477 19.000 0.001 0.000 0.814 91 A HN 0.241 nan 8.150 nan 0.000 0.446 92 V N -3.868 116.057 119.914 0.018 0.000 3.647 92 V HA 0.526 4.646 4.120 -0.000 0.000 0.279 92 V C 1.238 177.341 176.094 0.015 0.000 1.314 92 V CA 0.512 62.826 62.300 0.024 0.000 1.125 92 V CB -0.938 30.909 31.823 0.040 0.000 0.907 92 V HN 1.525 nan 8.190 nan 0.000 0.434 93 G N -0.037 108.765 108.800 0.004 0.000 2.221 93 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.265 93 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.265 93 G C 0.506 175.406 174.900 0.001 0.000 1.041 93 G CA 0.248 45.347 45.100 -0.002 0.000 0.807 93 G HN 1.318 nan 8.290 nan 0.000 0.502 94 G N -0.994 107.808 108.800 0.003 0.000 2.588 94 G HA2 0.649 4.609 3.960 -0.000 0.000 0.281 94 G HA3 0.649 4.609 3.960 -0.000 0.000 0.281 94 G C -0.125 174.771 174.900 -0.007 0.000 1.236 94 G CA -0.499 44.606 45.100 0.009 0.000 0.969 94 G HN 0.467 nan 8.290 nan 0.000 0.504 95 K N -1.095 119.304 120.400 -0.002 0.000 2.464 95 K HA 0.511 4.831 4.320 -0.000 0.000 0.253 95 K C -1.636 174.958 176.600 -0.010 0.000 0.933 95 K CA -0.681 55.598 56.287 -0.014 0.000 0.801 95 K CB 2.553 35.045 32.500 -0.012 0.000 1.271 95 K HN 0.277 nan 8.250 nan 0.000 0.430 96 L N 1.353 122.561 121.223 -0.025 0.000 2.349 96 L HA 0.527 4.867 4.340 -0.000 0.000 0.278 96 L C -1.452 175.394 176.870 -0.040 0.000 0.996 96 L CA 0.161 54.991 54.840 -0.017 0.000 0.825 96 L CB 1.772 43.823 42.059 -0.013 0.000 1.243 96 L HN 0.601 nan 8.230 nan 0.000 0.412 97 S N 3.661 119.325 115.700 -0.061 0.000 2.542 97 S HA 0.740 5.210 4.470 -0.000 0.000 0.293 97 S C -1.077 173.391 174.600 -0.219 0.000 1.089 97 S CA -0.717 57.416 58.200 -0.111 0.000 0.961 97 S CB 2.072 65.218 63.200 -0.089 0.000 1.062 97 S HN 0.649 nan 8.310 nan 0.000 0.483 98 V N 2.397 122.142 119.914 -0.282 0.000 2.376 98 V HA 0.628 4.748 4.120 -0.000 0.000 0.287 98 V C -0.879 175.039 176.094 -0.293 0.000 1.015 98 V CA 0.026 62.052 62.300 -0.456 0.000 0.834 98 V CB 1.074 32.371 31.823 -0.878 0.000 1.001 98 V HN 0.934 nan 8.190 nan 0.000 0.428 99 T N 5.795 120.182 114.554 -0.278 0.000 2.758 99 T HA 0.510 4.860 4.350 -0.000 0.000 0.285 99 T C -0.126 174.479 174.700 -0.158 0.000 0.981 99 T CA -0.174 61.821 62.100 -0.174 0.000 0.965 99 T CB 1.168 69.958 68.868 -0.130 0.000 0.927 99 T HN 0.740 nan 8.240 nan 0.000 0.448 100 S N 2.487 118.110 115.700 -0.128 0.000 2.472 100 S HA 0.725 5.195 4.470 -0.000 0.000 0.303 100 S C 0.551 175.106 174.600 -0.077 0.000 1.099 100 S CA -0.949 57.191 58.200 -0.100 0.000 1.077 100 S CB 1.529 64.650 63.200 -0.131 0.000 1.031 100 S HN 0.880 nan 8.310 nan 0.000 0.487 101 T N -0.075 114.464 114.554 -0.025 0.000 2.870 101 T HA 0.469 4.819 4.350 -0.000 0.000 0.277 101 T C 0.913 175.594 174.700 -0.032 0.000 1.000 101 T CA -0.979 61.117 62.100 -0.006 0.000 0.982 101 T CB 0.774 69.683 68.868 0.068 0.000 1.249 101 T HN 0.436 nan 8.240 nan 0.000 0.589 102 R N 0.195 120.670 120.500 -0.042 0.000 2.241 102 R HA 0.003 4.343 4.340 -0.000 0.000 0.224 102 R C 1.876 178.104 176.300 -0.121 0.000 1.101 102 R CA 1.289 57.306 56.100 -0.138 0.000 0.995 102 R CB -0.026 30.110 30.300 -0.273 0.000 0.870 102 R HN 0.702 nan 8.270 nan 0.000 0.463 103 E N -0.542 119.666 120.200 0.013 0.000 2.306 103 E HA 0.077 4.427 4.350 -0.000 0.000 0.201 103 E C -0.040 176.689 176.600 0.214 0.000 0.874 103 E CA 0.250 56.705 56.400 0.091 0.000 0.972 103 E CB 0.435 30.220 29.700 0.143 0.000 0.957 103 E HN 0.348 nan 8.360 nan 0.000 0.492 104 N N 0.933 119.725 118.700 0.153 0.000 2.269 104 N HA 0.390 5.130 4.740 -0.000 0.000 0.304 104 N C -0.757 174.804 175.510 0.086 0.000 1.072 104 N CA -0.346 52.794 53.050 0.149 0.000 0.802 104 N CB 2.024 40.622 38.487 0.185 0.000 1.348 104 N HN -0.150 nan 8.380 nan 0.000 0.484 105 M N 1.543 121.181 119.600 0.063 0.000 2.363 105 M HA 0.577 5.057 4.480 -0.000 0.000 0.343 105 M C -0.663 175.583 176.300 -0.089 0.000 1.165 105 M CA -0.709 54.584 55.300 -0.012 0.000 1.046 105 M CB 1.685 34.333 32.600 0.080 0.000 1.648 105 M HN 0.582 nan 8.290 nan 0.000 0.452 106 A N 3.116 125.783 122.820 -0.255 0.000 2.457 106 A HA 0.613 4.933 4.320 -0.000 0.000 0.283 106 A C -1.794 175.509 177.584 -0.468 0.000 1.166 106 A CA -0.522 51.191 52.037 -0.540 0.000 0.740 106 A CB 0.456 18.977 19.000 -0.799 0.000 1.181 106 A HN 0.743 nan 8.150 nan 0.000 0.446 107 Y N 2.258 122.325 120.300 -0.389 0.000 2.535 107 Y HA 0.420 4.970 4.550 -0.000 0.000 0.349 107 Y C 1.276 177.038 175.900 -0.229 0.000 0.992 107 Y CA 0.212 58.178 58.100 -0.223 0.000 1.248 107 Y CB 1.193 39.578 38.460 -0.124 0.000 1.124 107 Y HN 0.669 nan 8.280 nan 0.000 0.520 108 T N -0.253 114.233 114.554 -0.114 0.000 2.925 108 T HA 0.804 5.154 4.350 -0.000 0.000 0.285 108 T C -0.871 173.823 174.700 -0.010 0.000 1.021 108 T CA -0.894 61.163 62.100 -0.071 0.000 1.042 108 T CB 1.889 70.702 68.868 -0.092 0.000 1.037 108 T HN 0.275 nan 8.240 nan 0.000 0.481 109 V N 2.684 122.607 119.914 0.014 0.000 2.610 109 V HA 0.456 4.576 4.120 -0.000 0.000 0.298 109 V C -0.871 175.242 176.094 0.032 0.000 1.067 109 V CA -0.723 61.597 62.300 0.032 0.000 0.894 109 V CB 1.659 33.514 31.823 0.054 0.000 1.015 109 V HN 1.113 nan 8.190 nan 0.000 0.432 110 E N 5.393 125.610 120.200 0.027 0.000 2.222 110 E HA 0.813 5.163 4.350 -0.000 0.000 0.267 110 E C -0.830 175.787 176.600 0.028 0.000 0.884 110 E CA -0.630 55.787 56.400 0.028 0.000 0.764 110 E CB 2.215 31.930 29.700 0.024 0.000 1.169 110 E HN 0.736 nan 8.360 nan 0.000 0.413 111 C N 0.643 119.960 119.300 0.029 0.000 3.321 111 C HA 0.578 5.038 4.460 -0.000 0.000 0.329 111 C C -0.265 174.739 174.990 0.025 0.000 1.394 111 C CA -1.243 57.792 59.018 0.028 0.000 1.291 111 C CB -0.216 27.545 27.740 0.035 0.000 1.606 111 C HN 0.886 nan 8.230 nan 0.000 0.463 112 L N 1.735 122.972 121.223 0.022 0.000 2.483 112 L HA 0.242 4.582 4.340 -0.000 0.000 0.276 112 L C 2.184 179.067 176.870 0.022 0.000 1.213 112 L CA -0.038 54.815 54.840 0.022 0.000 0.843 112 L CB 0.054 42.125 42.059 0.020 0.000 1.107 112 L HN 0.952 nan 8.230 nan 0.000 0.487 113 R N 1.170 121.684 120.500 0.023 0.000 2.227 113 R HA -0.256 4.084 4.340 -0.000 0.000 0.259 113 R C 1.281 177.593 176.300 0.020 0.000 1.139 113 R CA 2.562 58.676 56.100 0.024 0.000 0.969 113 R CB -0.109 30.210 30.300 0.032 0.000 0.903 113 R HN 0.757 nan 8.270 nan 0.000 0.452 114 D N -0.398 120.014 120.400 0.019 0.000 2.348 114 D HA -0.078 4.562 4.640 -0.000 0.000 0.216 114 D C 0.387 176.692 176.300 0.008 0.000 0.970 114 D CA 0.863 54.872 54.000 0.014 0.000 0.889 114 D CB 0.024 40.833 40.800 0.015 0.000 0.912 114 D HN 0.361 nan 8.370 nan 0.000 0.524 115 D N -0.113 120.293 120.400 0.010 0.000 2.431 115 D HA -0.002 4.638 4.640 -0.000 0.000 0.213 115 D C 2.214 178.516 176.300 0.003 0.000 1.130 115 D CA 0.080 54.085 54.000 0.009 0.000 0.834 115 D CB 1.031 41.844 40.800 0.021 0.000 0.985 115 D HN 0.106 nan 8.370 nan 0.000 0.504 116 V N -0.703 119.211 119.914 0.001 0.000 2.380 116 V HA -0.241 3.879 4.120 -0.000 0.000 0.251 116 V C 1.709 177.786 176.094 -0.028 0.000 1.063 116 V CA 1.648 63.946 62.300 -0.004 0.000 1.055 116 V CB -0.402 31.421 31.823 0.000 0.000 0.657 116 V HN -0.075 nan 8.190 nan 0.000 0.455 117 D N 0.271 120.644 120.400 -0.045 0.000 2.097 117 D HA -0.093 4.547 4.640 -0.000 0.000 0.195 117 D C 2.054 178.264 176.300 -0.149 0.000 0.989 117 D CA 1.865 55.816 54.000 -0.081 0.000 0.827 117 D CB -0.171 40.588 40.800 -0.068 0.000 0.966 117 D HN 0.548 nan 8.370 nan 0.000 0.456 118 I N 0.629 121.106 120.570 -0.154 0.000 2.286 118 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 118 I C 2.094 178.043 176.117 -0.280 0.000 1.115 118 I CA 0.696 61.820 61.300 -0.293 0.000 1.392 118 I CB 0.181 38.053 38.000 -0.213 0.000 1.065 118 I HN -0.032 nan 8.210 nan 0.000 0.418 119 L N -0.834 120.368 121.223 -0.034 0.000 2.109 119 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 119 L C 2.412 179.303 176.870 0.035 0.000 1.086 119 L CA 1.529 56.425 54.840 0.093 0.000 0.760 119 L CB -1.033 41.081 42.059 0.091 0.000 0.910 119 L HN 0.366 nan 8.230 nan 0.000 0.437 120 M N 0.394 119.968 119.600 -0.044 0.000 2.065 120 M HA -0.249 4.231 4.480 -0.000 0.000 0.259 120 M C 2.174 178.386 176.300 -0.148 0.000 1.069 120 M CA 1.852 57.106 55.300 -0.077 0.000 1.110 120 M CB -0.504 32.046 32.600 -0.084 0.000 1.328 120 M HN 0.188 nan 8.290 nan 0.000 0.405 121 E N -0.830 119.220 120.200 -0.250 0.000 2.070 121 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 121 E C 1.976 178.438 176.600 -0.229 0.000 1.004 121 E CA 1.976 58.166 56.400 -0.349 0.000 0.805 121 E CB -0.374 29.052 29.700 -0.457 0.000 0.744 121 E HN 0.662 nan 8.360 nan 0.000 0.451 122 F N 0.585 120.475 119.950 -0.100 0.000 2.134 122 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 122 F C 2.538 178.298 175.800 -0.065 0.000 1.097 122 F CA 0.249 58.205 58.000 -0.073 0.000 1.264 122 F CB -0.128 38.843 39.000 -0.049 0.000 1.001 122 F HN 0.158 nan 8.300 nan 0.000 0.479 123 L N 0.501 121.799 121.223 0.124 0.000 2.042 123 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 123 L C 2.202 179.061 176.870 -0.017 0.000 1.076 123 L CA 1.860 56.733 54.840 0.056 0.000 0.749 123 L CB -0.648 41.433 42.059 0.036 0.000 0.893 123 L HN 0.247 nan 8.230 nan 0.000 0.432 124 L N -0.391 120.788 121.223 -0.073 0.000 2.093 124 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 124 L C 2.369 179.182 176.870 -0.094 0.000 1.085 124 L CA 0.984 55.754 54.840 -0.117 0.000 0.755 124 L CB -0.593 41.308 42.059 -0.264 0.000 0.904 124 L HN 0.360 nan 8.230 nan 0.000 0.435 125 N N -0.349 118.308 118.700 -0.073 0.000 2.216 125 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 125 N C 1.891 177.369 175.510 -0.053 0.000 1.017 125 N CA 1.158 54.179 53.050 -0.048 0.000 0.861 125 N CB -0.019 38.470 38.487 0.003 0.000 0.986 125 N HN 0.120 nan 8.380 nan 0.000 0.428 126 V N 1.267 121.165 119.914 -0.026 0.000 2.295 126 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 126 V C 2.503 178.536 176.094 -0.101 0.000 1.049 126 V CA 2.278 64.557 62.300 -0.035 0.000 1.024 126 V CB -0.924 30.938 31.823 0.064 0.000 0.648 126 V HN 0.523 nan 8.190 nan 0.000 0.447 127 T N -2.919 111.559 114.554 -0.126 0.000 3.044 127 T HA -0.051 4.299 4.350 -0.000 0.000 0.255 127 T C 1.531 176.256 174.700 0.043 0.000 1.073 127 T CA 1.264 63.315 62.100 -0.082 0.000 1.125 127 T CB -0.015 68.735 68.868 -0.196 0.000 0.908 127 T HN 0.595 nan 8.240 nan 0.000 0.480 128 T N -1.985 112.560 114.554 -0.015 0.000 2.958 128 T HA 0.611 4.961 4.350 -0.000 0.000 0.256 128 T C 1.253 175.937 174.700 -0.026 0.000 0.983 128 T CA 0.198 62.302 62.100 0.008 0.000 0.924 128 T CB 0.154 69.048 68.868 0.042 0.000 1.136 128 T HN 0.402 nan 8.240 nan 0.000 0.506 129 A N 2.525 125.304 122.820 -0.068 0.000 2.705 129 A HA 0.574 4.894 4.320 -0.000 0.000 0.294 129 A C -2.767 174.710 177.584 -0.177 0.000 1.039 129 A CA -1.195 50.792 52.037 -0.084 0.000 1.005 129 A CB 0.228 19.200 19.000 -0.046 0.000 1.192 129 A HN 0.395 nan 8.150 nan 0.000 0.513 130 P HA 0.188 nan 4.420 nan 0.000 0.275 130 P C 0.099 176.990 177.300 -0.682 0.000 1.227 130 P CA 0.237 62.951 63.100 -0.643 0.000 0.781 130 P CB 1.383 32.424 31.700 -1.097 0.000 0.906 131 E N 1.439 121.296 120.200 -0.573 0.000 2.276 131 E HA 0.067 4.417 4.350 -0.000 0.000 0.193 131 E C -0.050 176.387 176.600 -0.271 0.000 0.983 131 E CA -0.060 56.169 56.400 -0.285 0.000 0.861 131 E CB -0.368 29.230 29.700 -0.169 0.000 0.817 131 E HN 0.418 nan 8.360 nan 0.000 0.485 132 F N 1.530 121.320 119.950 -0.267 0.000 2.861 132 F HA -0.279 4.248 4.527 -0.000 0.000 0.230 132 F C 0.108 175.740 175.800 -0.280 0.000 1.020 132 F CA -0.018 57.792 58.000 -0.317 0.000 0.852 132 F CB -1.599 37.106 39.000 -0.492 0.000 0.724 132 F HN -0.076 nan 8.300 nan 0.000 0.843 133 R N 1.042 121.372 120.500 -0.284 0.000 2.502 133 R HA 0.001 4.341 4.340 -0.000 0.000 0.292 133 R C 1.711 177.627 176.300 -0.639 0.000 0.998 133 R CA 0.053 55.756 56.100 -0.662 0.000 1.056 133 R CB 0.313 29.933 30.300 -1.134 0.000 0.939 133 R HN 0.470 nan 8.270 nan 0.000 0.411 134 R N 3.152 123.368 120.500 -0.474 0.000 2.140 134 R HA -0.245 4.095 4.340 -0.000 0.000 0.250 134 R C 1.462 177.727 176.300 -0.059 0.000 1.150 134 R CA 2.631 58.635 56.100 -0.160 0.000 0.966 134 R CB -0.162 30.140 30.300 0.004 0.000 0.869 134 R HN 0.849 nan 8.270 nan 0.000 0.445 135 W N 0.356 121.676 121.300 0.033 0.000 2.443 135 W HA 0.068 4.728 4.660 -0.000 0.000 0.296 135 W C 1.457 177.989 176.519 0.022 0.000 1.202 135 W CA 0.834 58.193 57.345 0.022 0.000 1.312 135 W CB -0.459 29.012 29.460 0.017 0.000 1.120 135 W HN 0.026 nan 8.180 nan 0.000 0.536 136 E N 1.127 121.203 120.200 -0.207 0.000 2.106 136 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 136 E C 2.270 178.843 176.600 -0.045 0.000 0.984 136 E CA 1.707 58.064 56.400 -0.071 0.000 0.806 136 E CB -0.462 29.153 29.700 -0.142 0.000 0.750 136 E HN 0.206 nan 8.360 nan 0.000 0.458 137 V N 1.797 121.659 119.914 -0.086 0.000 2.295 137 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 137 V C 2.447 178.523 176.094 -0.030 0.000 1.049 137 V CA 1.963 64.233 62.300 -0.051 0.000 1.024 137 V CB -0.814 30.969 31.823 -0.066 0.000 0.648 137 V HN 0.322 nan 8.190 nan 0.000 0.447 138 A N 0.059 122.879 122.820 0.000 0.000 1.883 138 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 138 A C 2.418 180.018 177.584 0.025 0.000 1.186 138 A CA 2.333 54.384 52.037 0.023 0.000 0.624 138 A CB -0.916 18.122 19.000 0.064 0.000 0.822 138 A HN 0.611 nan 8.150 nan 0.000 0.444 139 A N -1.083 121.766 122.820 0.048 0.000 1.972 139 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 139 A C 2.087 179.681 177.584 0.016 0.000 1.169 139 A CA 1.700 53.764 52.037 0.045 0.000 0.635 139 A CB -0.463 18.583 19.000 0.077 0.000 0.810 139 A HN 0.582 nan 8.150 nan 0.000 0.446 140 L N -0.359 120.865 121.223 0.000 0.000 2.179 140 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 140 L C 2.429 179.268 176.870 -0.052 0.000 1.096 140 L CA 1.598 56.423 54.840 -0.024 0.000 0.779 140 L CB -0.578 41.464 42.059 -0.028 0.000 0.922 140 L HN 0.404 nan 8.230 nan 0.000 0.443 141 Q N 0.161 119.928 119.800 -0.054 0.000 2.156 141 Q HA -0.219 4.121 4.340 -0.000 0.000 0.211 141 Q C -0.288 175.670 176.000 -0.070 0.000 0.995 141 Q CA 2.250 58.008 55.803 -0.074 0.000 0.877 141 Q CB -1.964 26.737 28.738 -0.061 0.000 0.920 141 Q HN 0.475 nan 8.270 nan 0.000 0.416 142 P HA -0.114 nan 4.420 nan 0.000 0.226 142 P C 1.211 178.483 177.300 -0.046 0.000 1.153 142 P CA 1.037 64.114 63.100 -0.039 0.000 0.777 142 P CB -0.045 31.643 31.700 -0.021 0.000 0.794 143 Q N -0.069 119.698 119.800 -0.056 0.000 2.170 143 Q HA -0.106 4.234 4.340 -0.000 0.000 0.203 143 Q C 1.904 177.851 176.000 -0.089 0.000 0.976 143 Q CA 1.283 57.051 55.803 -0.059 0.000 0.858 143 Q CB -1.224 27.482 28.738 -0.054 0.000 0.907 143 Q HN 0.187 nan 8.270 nan 0.000 0.433 144 L N -0.370 120.755 121.223 -0.162 0.000 2.043 144 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 144 L C 2.609 179.446 176.870 -0.056 0.000 1.075 144 L CA 1.922 56.623 54.840 -0.233 0.000 0.752 144 L CB -0.435 41.465 42.059 -0.264 0.000 0.891 144 L HN 0.198 nan 8.230 nan 0.000 0.432 145 R N -0.074 120.399 120.500 -0.044 0.000 2.075 145 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 145 R C 2.289 178.580 176.300 -0.014 0.000 1.126 145 R CA 1.105 57.193 56.100 -0.020 0.000 0.963 145 R CB 0.048 30.332 30.300 -0.026 0.000 0.858 145 R HN 0.188 nan 8.270 nan 0.000 0.435 146 I N 1.123 121.684 120.570 -0.014 0.000 2.163 146 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 146 I C 1.951 178.069 176.117 0.003 0.000 1.081 146 I CA 1.540 62.834 61.300 -0.010 0.000 1.353 146 I CB -1.339 36.655 38.000 -0.010 0.000 1.054 146 I HN 0.208 nan 8.210 nan 0.000 0.407 147 D N 0.829 121.255 120.400 0.042 0.000 2.104 147 D HA -0.228 4.412 4.640 -0.000 0.000 0.194 147 D C 2.288 178.630 176.300 0.071 0.000 0.994 147 D CA 1.402 55.469 54.000 0.112 0.000 0.830 147 D CB 0.045 40.989 40.800 0.240 0.000 0.959 147 D HN 0.140 nan 8.370 nan 0.000 0.452 148 K N -0.385 120.069 120.400 0.090 0.000 2.032 148 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 148 K C 2.022 178.498 176.600 -0.206 0.000 1.048 148 K CA 1.247 57.463 56.287 -0.119 0.000 0.927 148 K CB -0.188 32.330 32.500 0.030 0.000 0.712 148 K HN 0.150 nan 8.250 nan 0.000 0.441 149 A N 0.480 123.236 122.820 -0.106 0.000 1.898 149 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 149 A C 2.230 179.746 177.584 -0.113 0.000 1.181 149 A CA 1.423 53.397 52.037 -0.106 0.000 0.620 149 A CB -0.556 18.405 19.000 -0.066 0.000 0.819 149 A HN 0.165 nan 8.150 nan 0.000 0.442 150 V N -0.122 119.736 119.914 -0.093 0.000 2.261 150 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 150 V C 3.089 179.113 176.094 -0.116 0.000 1.047 150 V CA 2.036 64.289 62.300 -0.078 0.000 1.015 150 V CB -1.204 30.596 31.823 -0.039 0.000 0.642 150 V HN 0.614 nan 8.190 nan 0.000 0.446 151 A N -0.679 122.024 122.820 -0.196 0.000 1.940 151 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 151 A C 1.909 179.329 177.584 -0.272 0.000 1.176 151 A CA 1.737 53.600 52.037 -0.290 0.000 0.631 151 A CB -0.459 18.140 19.000 -0.668 0.000 0.814 151 A HN 0.442 nan 8.150 nan 0.000 0.446 152 L N 0.183 121.236 121.223 -0.283 0.000 2.627 152 L HA 0.031 4.371 4.340 -0.000 0.000 0.232 152 L C 2.318 179.103 176.870 -0.140 0.000 1.150 152 L CA 1.117 55.831 54.840 -0.211 0.000 0.917 152 L CB -0.166 41.742 42.059 -0.251 0.000 1.104 152 L HN 0.725 nan 8.230 nan 0.000 0.445 153 Q N -0.870 118.861 119.800 -0.115 0.000 2.389 153 Q HA -0.002 4.338 4.340 -0.000 0.000 0.204 153 Q C -0.198 175.766 176.000 -0.061 0.000 0.944 153 Q CA 0.351 56.106 55.803 -0.079 0.000 0.908 153 Q CB -0.010 28.689 28.738 -0.063 0.000 1.002 153 Q HN 0.463 nan 8.270 nan 0.000 0.493 154 N N 3.198 121.862 118.700 -0.060 0.000 2.420 154 N HA 0.083 4.823 4.740 -0.000 0.000 0.262 154 N C -2.163 173.302 175.510 -0.076 0.000 1.144 154 N CA -1.052 51.970 53.050 -0.046 0.000 0.952 154 N CB 1.402 39.878 38.487 -0.018 0.000 1.081 154 N HN 0.134 nan 8.380 nan 0.000 0.480 155 P HA -0.154 nan 4.420 nan 0.000 0.218 155 P C 1.001 178.214 177.300 -0.145 0.000 1.146 155 P CA 1.321 64.262 63.100 -0.266 0.000 0.813 155 P CB 0.384 31.637 31.700 -0.745 0.000 0.778 156 Q N -0.411 119.367 119.800 -0.036 0.000 2.124 156 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 156 Q C 2.285 178.366 176.000 0.137 0.000 0.977 156 Q CA 1.915 57.806 55.803 0.148 0.000 0.850 156 Q CB -1.193 27.582 28.738 0.062 0.000 0.901 156 Q HN 0.209 nan 8.270 nan 0.000 0.429 157 A N 0.275 123.146 122.820 0.085 0.000 1.877 157 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 157 A C 1.956 179.631 177.584 0.151 0.000 1.186 157 A CA 1.640 53.741 52.037 0.108 0.000 0.620 157 A CB -0.859 18.160 19.000 0.032 0.000 0.822 157 A HN 0.511 nan 8.150 nan 0.000 0.443 158 H N -0.674 118.398 119.070 0.003 0.000 2.387 158 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 158 H C 2.090 177.440 175.328 0.036 0.000 1.090 158 H CA 1.574 57.627 56.048 0.008 0.000 1.332 158 H CB 0.222 29.967 29.762 -0.029 0.000 1.386 158 H HN 0.286 nan 8.280 nan 0.000 0.516 159 V N 0.937 120.873 119.914 0.036 0.000 2.261 159 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 159 V C 2.586 178.702 176.094 0.038 0.000 1.047 159 V CA 1.791 64.093 62.300 0.004 0.000 1.015 159 V CB -0.421 31.451 31.823 0.083 0.000 0.642 159 V HN 0.340 nan 8.190 nan 0.000 0.446 160 I N -0.302 120.357 120.570 0.148 0.000 2.394 160 I HA -0.164 4.006 4.170 -0.000 0.000 0.251 160 I C 2.609 178.887 176.117 0.269 0.000 1.136 160 I CA 1.174 62.605 61.300 0.218 0.000 1.425 160 I CB -0.341 37.840 38.000 0.302 0.000 1.079 160 I HN 0.332 nan 8.210 nan 0.000 0.425 161 E N 0.675 120.968 120.200 0.155 0.000 2.047 161 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 161 E C 1.797 178.438 176.600 0.068 0.000 0.987 161 E CA 1.325 57.796 56.400 0.119 0.000 0.799 161 E CB -0.568 29.219 29.700 0.144 0.000 0.752 161 E HN 0.639 nan 8.360 nan 0.000 0.449 162 N N 0.767 119.429 118.700 -0.064 0.000 2.166 162 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 162 N C 1.978 177.466 175.510 -0.036 0.000 1.019 162 N CA 0.359 53.347 53.050 -0.104 0.000 0.856 162 N CB -0.099 38.244 38.487 -0.240 0.000 0.993 162 N HN -0.025 nan 8.380 nan 0.000 0.426 163 L N 0.798 122.014 121.223 -0.012 0.000 2.042 163 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 163 L C 1.716 178.565 176.870 -0.035 0.000 1.076 163 L CA 1.897 56.701 54.840 -0.060 0.000 0.749 163 L CB -0.389 41.593 42.059 -0.129 0.000 0.893 163 L HN 0.186 nan 8.230 nan 0.000 0.432 164 H N -1.145 117.970 119.070 0.075 0.000 2.363 164 H HA 0.093 4.649 4.556 -0.000 0.000 0.301 164 H C 2.165 177.583 175.328 0.149 0.000 1.074 164 H CA 1.249 57.407 56.048 0.184 0.000 1.354 164 H CB -0.342 29.523 29.762 0.172 0.000 1.397 164 H HN 0.467 nan 8.280 nan 0.000 0.516 165 A N 0.840 123.769 122.820 0.182 0.000 1.933 165 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 165 A C 2.499 180.109 177.584 0.044 0.000 1.175 165 A CA 1.513 53.612 52.037 0.103 0.000 0.628 165 A CB -1.016 18.024 19.000 0.067 0.000 0.814 165 A HN 0.463 nan 8.150 nan 0.000 0.444 166 A N -0.130 122.678 122.820 -0.020 0.000 1.902 166 A HA 0.156 4.476 4.320 -0.000 0.000 0.217 166 A C 2.487 179.939 177.584 -0.220 0.000 1.181 166 A CA 2.092 54.067 52.037 -0.103 0.000 0.623 166 A CB -0.943 17.975 19.000 -0.137 0.000 0.818 166 A HN 1.027 nan 8.150 nan 0.000 0.443 167 A N -1.983 120.672 122.820 -0.274 0.000 1.929 167 A HA 0.217 4.537 4.320 -0.000 0.000 0.216 167 A C 0.685 177.769 177.584 -0.832 0.000 1.176 167 A CA 0.715 52.359 52.037 -0.654 0.000 0.628 167 A CB -0.297 18.340 19.000 -0.606 0.000 0.816 167 A HN 0.506 nan 8.150 nan 0.000 0.444 168 Y N -2.061 118.167 120.300 -0.121 0.000 2.446 168 Y HA 0.477 5.027 4.550 -0.000 0.000 0.345 168 Y C 1.142 177.028 175.900 -0.024 0.000 0.984 168 Y CA -0.921 57.147 58.100 -0.054 0.000 1.058 168 Y CB 1.597 40.050 38.460 -0.011 0.000 1.220 168 Y HN 0.001 nan 8.280 nan 0.000 0.455 169 R N 0.588 121.162 120.500 0.123 0.000 2.237 169 R HA -0.107 4.233 4.340 -0.000 0.000 0.219 169 R C 0.947 177.262 176.300 0.026 0.000 1.080 169 R CA 1.213 57.310 56.100 -0.006 0.000 0.995 169 R CB 0.171 30.439 30.300 -0.054 0.000 0.875 169 R HN 0.741 nan 8.270 nan 0.000 0.462 170 N N -2.444 116.301 118.700 0.074 0.000 3.342 170 N HA 0.098 4.838 4.740 -0.000 0.000 0.211 170 N C 0.330 175.834 175.510 -0.010 0.000 1.380 170 N CA 0.593 53.661 53.050 0.031 0.000 1.192 170 N CB 0.545 39.057 38.487 0.041 0.000 1.060 170 N HN 0.048 nan 8.380 nan 0.000 0.743 171 A N 0.490 123.263 122.820 -0.079 0.000 1.690 171 A HA 0.352 4.672 4.320 -0.000 0.000 0.213 171 A C 1.567 178.982 177.584 -0.282 0.000 1.785 171 A CA -0.184 51.751 52.037 -0.170 0.000 1.230 171 A CB -0.430 18.455 19.000 -0.192 0.000 1.175 171 A HN 0.195 nan 8.150 nan 0.000 0.468 172 L N 0.794 121.744 121.223 -0.454 0.000 2.362 172 L HA -0.082 4.258 4.340 -0.000 0.000 0.219 172 L C 2.805 179.541 176.870 -0.223 0.000 1.134 172 L CA 0.842 55.330 54.840 -0.587 0.000 0.807 172 L CB -0.397 40.939 42.059 -1.206 0.000 0.927 172 L HN 0.481 nan 8.230 nan 0.000 0.447 173 A N 0.204 123.004 122.820 -0.033 0.000 1.978 173 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 173 A C 0.922 178.532 177.584 0.043 0.000 1.170 173 A CA 0.896 53.002 52.037 0.116 0.000 0.636 173 A CB -0.959 18.118 19.000 0.128 0.000 0.810 173 A HN 0.545 nan 8.150 nan 0.000 0.448 174 N N 0.605 119.285 118.700 -0.035 0.000 2.458 174 N HA 0.199 4.939 4.740 -0.000 0.000 0.258 174 N C -0.102 175.372 175.510 -0.059 0.000 1.219 174 N CA -0.127 52.900 53.050 -0.040 0.000 0.902 174 N CB 0.388 38.835 38.487 -0.067 0.000 1.076 174 N HN 0.224 nan 8.380 nan 0.000 0.455 175 S N 1.709 117.397 115.700 -0.021 0.000 2.562 175 S HA 0.048 4.518 4.470 -0.000 0.000 0.281 175 S C 1.337 175.860 174.600 -0.129 0.000 1.333 175 S CA -0.772 57.412 58.200 -0.027 0.000 1.052 175 S CB 0.403 63.637 63.200 0.056 0.000 0.884 175 S HN 0.373 nan 8.310 nan 0.000 0.506 176 L N 4.514 125.599 121.223 -0.230 0.000 2.191 176 L HA 0.105 4.445 4.340 -0.000 0.000 0.212 176 L C 0.022 176.408 176.870 -0.807 0.000 1.103 176 L CA 1.471 56.006 54.840 -0.508 0.000 0.769 176 L CB -1.071 40.595 42.059 -0.654 0.000 0.908 176 L HN 0.651 nan 8.230 nan 0.000 0.438 177 Y N -2.457 117.703 120.300 -0.235 0.000 2.387 177 Y HA 0.282 4.832 4.550 -0.000 0.000 0.336 177 Y C 0.634 176.519 175.900 -0.025 0.000 1.067 177 Y CA -1.024 56.904 58.100 -0.287 0.000 1.114 177 Y CB 1.071 39.425 38.460 -0.177 0.000 1.208 177 Y HN -0.224 nan 8.280 nan 0.000 0.458 178 C N 5.782 125.288 119.300 0.343 0.000 2.633 178 C HA 0.185 4.645 4.460 -0.000 0.000 0.415 178 C C -2.126 172.914 174.990 0.083 0.000 1.393 178 C CA -1.568 57.550 59.018 0.166 0.000 1.700 178 C CB -0.747 27.075 27.740 0.137 0.000 2.541 178 C HN 0.521 nan 8.230 nan 0.000 0.603 179 P HA 0.081 nan 4.420 nan 0.000 0.264 179 P C 0.397 177.647 177.300 -0.082 0.000 1.193 179 P CA 0.416 63.516 63.100 -0.000 0.000 0.763 179 P CB 0.515 32.214 31.700 -0.000 0.000 0.810 180 D N 2.083 122.500 120.400 0.027 0.000 2.149 180 D HA -0.235 4.405 4.640 -0.000 0.000 0.194 180 D C 1.686 177.987 176.300 0.002 0.000 1.001 180 D CA 1.824 55.836 54.000 0.020 0.000 0.849 180 D CB -0.911 39.923 40.800 0.056 0.000 0.939 180 D HN 0.613 nan 8.370 nan 0.000 0.449 181 Y N 0.493 120.802 120.300 0.016 0.000 2.315 181 Y HA -0.049 4.501 4.550 -0.000 0.000 0.288 181 Y C 1.814 177.717 175.900 0.006 0.000 1.154 181 Y CA 1.006 59.112 58.100 0.010 0.000 1.229 181 Y CB -0.228 38.239 38.460 0.012 0.000 0.980 181 Y HN -0.203 nan 8.280 nan 0.000 0.540 182 R N 1.136 121.203 120.500 -0.722 0.000 2.240 182 R HA 0.201 4.541 4.340 -0.000 0.000 0.203 182 R C 0.269 176.423 176.300 -0.244 0.000 1.011 182 R CA 0.130 55.901 56.100 -0.548 0.000 1.007 182 R CB -0.444 29.475 30.300 -0.636 0.000 0.911 182 R HN 0.404 nan 8.270 nan 0.000 0.468 183 I N 1.039 121.510 120.570 -0.166 0.000 2.587 183 I HA -0.037 4.133 4.170 -0.000 0.000 0.284 183 I C 1.274 177.346 176.117 -0.075 0.000 1.134 183 I CA 1.024 62.261 61.300 -0.105 0.000 1.410 183 I CB 0.477 38.435 38.000 -0.070 0.000 1.392 183 I HN 0.398 nan 8.210 nan 0.000 0.545 184 G N 4.989 113.744 108.800 -0.075 0.000 2.194 184 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.236 184 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.236 184 G C 0.889 175.761 174.900 -0.047 0.000 0.987 184 G CA -0.130 44.940 45.100 -0.050 0.000 0.635 184 G HN 0.613 nan 8.290 nan 0.000 0.520 185 K N -0.409 119.950 120.400 -0.069 0.000 2.425 185 K HA 0.351 4.671 4.320 -0.000 0.000 0.201 185 K C 0.980 177.538 176.600 -0.070 0.000 1.128 185 K CA 0.435 56.688 56.287 -0.056 0.000 1.000 185 K CB 1.626 34.099 32.500 -0.045 0.000 0.961 185 K HN 0.494 nan 8.250 nan 0.000 0.555 186 V N 3.798 123.650 119.914 -0.103 0.000 2.479 186 V HA 0.052 4.172 4.120 -0.000 0.000 0.281 186 V C -0.077 175.951 176.094 -0.110 0.000 1.031 186 V CA 0.156 62.385 62.300 -0.118 0.000 1.038 186 V CB 0.344 32.071 31.823 -0.160 0.000 0.981 186 V HN 0.362 nan 8.190 nan 0.000 0.478 187 T N 5.004 119.501 114.554 -0.095 0.000 2.928 187 T HA 0.526 4.876 4.350 -0.000 0.000 0.284 187 T C -1.703 172.936 174.700 -0.102 0.000 1.008 187 T CA -1.792 60.266 62.100 -0.070 0.000 1.057 187 T CB 1.389 70.239 68.868 -0.030 0.000 1.018 187 T HN 0.469 nan 8.240 nan 0.000 0.493 188 P HA -0.189 nan 4.420 nan 0.000 0.218 188 P C 1.759 179.097 177.300 0.064 0.000 1.154 188 P CA 0.749 63.833 63.100 -0.028 0.000 0.872 188 P CB -0.145 31.591 31.700 0.061 0.000 0.790 189 V N -0.031 119.928 119.914 0.076 0.000 2.343 189 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 189 V C 2.030 178.155 176.094 0.052 0.000 1.051 189 V CA 2.032 64.389 62.300 0.095 0.000 1.036 189 V CB -0.914 30.937 31.823 0.047 0.000 0.654 189 V HN 0.092 nan 8.190 nan 0.000 0.451 190 E N -0.095 120.096 120.200 -0.015 0.000 2.110 190 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 190 E C 2.188 178.738 176.600 -0.084 0.000 0.988 190 E CA 1.705 58.089 56.400 -0.027 0.000 0.804 190 E CB -0.222 29.448 29.700 -0.051 0.000 0.745 190 E HN 0.612 nan 8.360 nan 0.000 0.458 191 L N 0.359 121.406 121.223 -0.293 0.000 2.056 191 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 191 L C 2.537 179.129 176.870 -0.463 0.000 1.078 191 L CA 0.970 55.413 54.840 -0.662 0.000 0.749 191 L CB -0.455 40.730 42.059 -1.458 0.000 0.901 191 L HN 0.255 nan 8.230 nan 0.000 0.433 192 H N -0.070 118.902 119.070 -0.163 0.000 2.321 192 H HA -0.151 4.405 4.556 -0.000 0.000 0.300 192 H C 1.844 177.182 175.328 0.018 0.000 1.087 192 H CA 1.631 57.727 56.048 0.080 0.000 1.319 192 H CB -0.075 29.748 29.762 0.102 0.000 1.379 192 H HN 0.336 nan 8.280 nan 0.000 0.501 193 D N 0.029 120.507 120.400 0.129 0.000 2.149 193 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 193 D C 2.050 178.384 176.300 0.055 0.000 0.990 193 D CA 0.826 54.865 54.000 0.064 0.000 0.839 193 D CB -0.530 40.305 40.800 0.057 0.000 0.948 193 D HN 0.383 nan 8.370 nan 0.000 0.460 194 Y N 0.855 121.139 120.300 -0.026 0.000 2.220 194 Y HA -0.169 4.381 4.550 -0.000 0.000 0.291 194 Y C 2.325 178.253 175.900 0.047 0.000 1.129 194 Y CA 0.897 59.048 58.100 0.085 0.000 1.161 194 Y CB -0.005 38.491 38.460 0.061 0.000 0.997 194 Y HN -0.217 nan 8.280 nan 0.000 0.522 195 V N 0.093 119.982 119.914 -0.041 0.000 2.307 195 V HA -0.335 3.785 4.120 -0.000 0.000 0.245 195 V C 2.061 178.073 176.094 -0.137 0.000 1.045 195 V CA 2.225 64.297 62.300 -0.380 0.000 1.024 195 V CB -0.638 30.919 31.823 -0.442 0.000 0.651 195 V HN 0.418 nan 8.190 nan 0.000 0.449 196 Q N -0.141 119.621 119.800 -0.063 0.000 2.084 196 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 196 Q C 2.164 178.091 176.000 -0.123 0.000 0.978 196 Q CA 1.618 57.389 55.803 -0.053 0.000 0.844 196 Q CB -0.202 28.518 28.738 -0.029 0.000 0.898 196 Q HN 0.593 nan 8.270 nan 0.000 0.426 197 N N -0.708 117.833 118.700 -0.264 0.000 2.331 197 N HA -0.090 4.650 4.740 -0.000 0.000 0.180 197 N C 0.784 175.939 175.510 -0.591 0.000 1.019 197 N CA 1.232 53.970 53.050 -0.520 0.000 0.881 197 N CB 0.140 38.131 38.487 -0.827 0.000 0.972 197 N HN 0.463 nan 8.380 nan 0.000 0.435 198 H N -2.643 116.371 119.070 -0.095 0.000 3.067 198 H HA 0.259 4.815 4.556 -0.000 0.000 0.241 198 H C -0.279 175.142 175.328 0.155 0.000 0.961 198 H CA -0.288 55.713 56.048 -0.078 0.000 1.123 198 H CB 0.275 29.898 29.762 -0.231 0.000 1.448 198 H HN -0.049 nan 8.280 nan 0.000 0.457 199 F N 3.493 123.446 119.950 0.005 0.000 2.669 199 F HA 0.217 4.744 4.527 -0.000 0.000 0.353 199 F C 0.668 176.455 175.800 -0.022 0.000 1.192 199 F CA -0.526 57.475 58.000 0.001 0.000 1.317 199 F CB -0.598 38.407 39.000 0.008 0.000 1.652 199 F HN 0.012 nan 8.300 nan 0.000 0.608 200 T N -4.212 110.411 114.554 0.116 0.000 2.942 200 T HA 0.336 4.686 4.350 -0.000 0.000 0.289 200 T C 1.310 176.023 174.700 0.021 0.000 1.044 200 T CA -0.631 61.498 62.100 0.048 0.000 1.023 200 T CB 1.709 70.582 68.868 0.008 0.000 1.123 200 T HN 0.027 nan 8.240 nan 0.000 0.512 201 S N 0.962 116.670 115.700 0.012 0.000 2.374 201 S HA -0.139 4.331 4.470 -0.000 0.000 0.227 201 S C 2.391 176.988 174.600 -0.004 0.000 1.037 201 S CA 1.444 59.645 58.200 0.002 0.000 1.024 201 S CB -0.963 62.236 63.200 -0.002 0.000 0.861 201 S HN 0.963 nan 8.310 nan 0.000 0.456 202 A N 1.095 123.912 122.820 -0.004 0.000 2.121 202 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 202 A C 1.808 179.390 177.584 -0.005 0.000 1.154 202 A CA 0.812 52.847 52.037 -0.003 0.000 0.679 202 A CB -0.206 18.792 19.000 -0.003 0.000 0.795 202 A HN 0.467 nan 8.150 nan 0.000 0.458 203 R N -1.919 118.573 120.500 -0.014 0.000 2.586 203 R HA 0.510 4.850 4.340 -0.000 0.000 0.336 203 R C -0.493 175.794 176.300 -0.021 0.000 1.060 203 R CA -0.031 56.052 56.100 -0.028 0.000 1.079 203 R CB 0.273 30.536 30.300 -0.063 0.000 1.317 203 R HN 0.435 nan 8.270 nan 0.000 0.568 204 M N 0.189 119.785 119.600 -0.008 0.000 2.484 204 M HA 0.569 5.049 4.480 -0.000 0.000 0.289 204 M C -1.827 174.477 176.300 0.007 0.000 1.206 204 M CA -0.580 54.717 55.300 -0.005 0.000 0.892 204 M CB 2.775 35.364 32.600 -0.018 0.000 1.712 204 M HN 0.058 nan 8.290 nan 0.000 0.462 205 A N 3.072 125.915 122.820 0.039 0.000 2.402 205 A HA 0.742 5.062 4.320 -0.000 0.000 0.291 205 A C -2.133 175.496 177.584 0.075 0.000 1.051 205 A CA -0.546 51.503 52.037 0.021 0.000 0.716 205 A CB 1.293 20.294 19.000 0.001 0.000 1.223 205 A HN 0.724 nan 8.150 nan 0.000 0.425 206 L N 4.676 125.904 121.223 0.009 0.000 2.262 206 L HA 0.629 4.969 4.340 -0.000 0.000 0.288 206 L C -1.039 175.842 176.870 0.019 0.000 1.035 206 L CA -0.321 54.538 54.840 0.033 0.000 0.820 206 L CB 0.659 42.713 42.059 -0.009 0.000 1.204 206 L HN 0.537 nan 8.230 nan 0.000 0.424 207 I N 4.575 125.205 120.570 0.101 0.000 2.433 207 I HA 0.665 4.835 4.170 -0.000 0.000 0.292 207 I C 0.499 176.670 176.117 0.090 0.000 1.001 207 I CA -0.559 60.784 61.300 0.072 0.000 1.119 207 I CB 1.191 39.227 38.000 0.059 0.000 1.289 207 I HN 0.666 nan 8.210 nan 0.000 0.438 208 G N 5.834 114.670 108.800 0.060 0.000 2.617 208 G HA2 0.680 4.640 3.960 -0.000 0.000 0.306 208 G HA3 0.680 4.640 3.960 -0.000 0.000 0.306 208 G C -1.760 173.185 174.900 0.075 0.000 1.360 208 G CA -0.350 44.788 45.100 0.063 0.000 0.983 208 G HN 0.294 nan 8.290 nan 0.000 0.496 209 L N 1.424 122.692 121.223 0.075 0.000 2.376 209 L HA 0.669 5.009 4.340 -0.000 0.000 0.275 209 L C 0.952 177.840 176.870 0.030 0.000 0.987 209 L CA 0.400 55.286 54.840 0.076 0.000 0.828 209 L CB 1.608 43.740 42.059 0.122 0.000 1.249 209 L HN 1.274 nan 8.230 nan 0.000 0.409 210 G N 2.970 111.762 108.800 -0.012 0.000 2.221 210 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.265 210 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.265 210 G C -0.102 174.780 174.900 -0.030 0.000 1.041 210 G CA 0.409 45.481 45.100 -0.047 0.000 0.807 210 G HN 0.831 nan 8.290 nan 0.000 0.502 211 V N -2.190 117.714 119.914 -0.017 0.000 2.769 211 V HA 0.915 5.035 4.120 -0.000 0.000 0.312 211 V C 0.697 176.789 176.094 -0.003 0.000 1.061 211 V CA -0.530 61.766 62.300 -0.008 0.000 0.931 211 V CB 1.617 33.443 31.823 0.006 0.000 1.010 211 V HN 1.387 nan 8.190 nan 0.000 0.433 212 S N 0.691 116.393 115.700 0.003 0.000 2.560 212 S HA 0.098 4.568 4.470 -0.000 0.000 0.284 212 S C 0.918 175.556 174.600 0.065 0.000 1.327 212 S CA 0.485 58.703 58.200 0.031 0.000 1.055 212 S CB 0.200 63.418 63.200 0.030 0.000 0.868 212 S HN 0.973 nan 8.310 nan 0.000 0.506 213 H N 3.818 122.879 119.070 -0.015 0.000 2.353 213 H HA 0.005 4.561 4.556 -0.000 0.000 0.298 213 H C -1.126 174.198 175.328 -0.008 0.000 1.103 213 H CA 2.520 58.562 56.048 -0.012 0.000 1.293 213 H CB -1.244 28.515 29.762 -0.006 0.000 1.372 213 H HN 0.569 nan 8.280 nan 0.000 0.501 214 P HA -0.147 nan 4.420 nan 0.000 0.216 214 P C 1.692 178.971 177.300 -0.035 0.000 1.150 214 P CA 1.108 64.204 63.100 -0.007 0.000 0.837 214 P CB 0.081 31.795 31.700 0.024 0.000 0.786 215 V N -0.619 119.282 119.914 -0.020 0.000 2.358 215 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 215 V C 2.427 178.501 176.094 -0.034 0.000 1.047 215 V CA 1.475 63.766 62.300 -0.015 0.000 1.035 215 V CB -1.030 30.793 31.823 -0.001 0.000 0.658 215 V HN 0.092 nan 8.190 nan 0.000 0.452 216 L N -0.601 120.576 121.223 -0.077 0.000 2.027 216 L HA -0.187 4.153 4.340 -0.000 0.000 0.206 216 L C 2.627 179.412 176.870 -0.142 0.000 1.074 216 L CA 1.753 56.527 54.840 -0.110 0.000 0.745 216 L CB -0.564 41.405 42.059 -0.150 0.000 0.898 216 L HN 0.288 nan 8.230 nan 0.000 0.433 217 K N -0.319 119.949 120.400 -0.219 0.000 2.063 217 K HA -0.279 4.041 4.320 -0.000 0.000 0.208 217 K C 2.129 178.675 176.600 -0.090 0.000 1.048 217 K CA 1.661 57.838 56.287 -0.183 0.000 0.928 217 K CB 0.015 32.399 32.500 -0.194 0.000 0.713 217 K HN 0.139 nan 8.250 nan 0.000 0.442 218 Q N 0.409 120.174 119.800 -0.058 0.000 2.050 218 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 218 Q C 1.844 177.852 176.000 0.013 0.000 0.980 218 Q CA 1.461 57.248 55.803 -0.027 0.000 0.840 218 Q CB -0.019 28.714 28.738 -0.009 0.000 0.898 218 Q HN 0.076 nan 8.270 nan 0.000 0.424 219 V N 0.470 120.418 119.914 0.057 0.000 2.332 219 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 219 V C 2.178 178.356 176.094 0.140 0.000 1.055 219 V CA 1.867 64.267 62.300 0.167 0.000 1.038 219 V CB -1.044 30.840 31.823 0.103 0.000 0.651 219 V HN 0.543 nan 8.190 nan 0.000 0.450 220 A N -0.642 122.195 122.820 0.028 0.000 1.897 220 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 220 A C 2.166 179.741 177.584 -0.015 0.000 1.181 220 A CA 1.595 53.633 52.037 0.001 0.000 0.620 220 A CB -0.349 18.620 19.000 -0.051 0.000 0.821 220 A HN 0.620 nan 8.150 nan 0.000 0.443 221 E N -0.551 119.622 120.200 -0.046 0.000 2.072 221 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 221 E C 2.288 178.812 176.600 -0.128 0.000 0.982 221 E CA 1.090 57.446 56.400 -0.073 0.000 0.803 221 E CB -0.154 29.502 29.700 -0.074 0.000 0.755 221 E HN 0.686 nan 8.360 nan 0.000 0.453 222 Q N -0.592 119.089 119.800 -0.199 0.000 2.083 222 Q HA -0.076 4.264 4.340 -0.000 0.000 0.198 222 Q C 1.329 176.982 176.000 -0.577 0.000 0.969 222 Q CA 1.283 56.786 55.803 -0.499 0.000 0.838 222 Q CB 0.167 28.430 28.738 -0.791 0.000 0.900 222 Q HN 0.276 nan 8.270 nan 0.000 0.436 223 F N -1.709 118.222 119.950 -0.031 0.000 2.752 223 F HA 0.203 4.730 4.527 -0.000 0.000 0.310 223 F C 0.903 176.689 175.800 -0.023 0.000 1.097 223 F CA -0.047 57.937 58.000 -0.027 0.000 1.238 223 F CB 0.821 39.804 39.000 -0.030 0.000 1.061 223 F HN -0.130 nan 8.300 nan 0.000 0.591 224 L N 0.226 121.522 121.223 0.123 0.000 3.062 224 L HA 0.267 4.607 4.340 -0.000 0.000 0.255 224 L C -0.073 176.813 176.870 0.027 0.000 1.274 224 L CA -0.126 54.755 54.840 0.068 0.000 1.047 224 L CB -0.186 41.903 42.059 0.050 0.000 1.402 224 L HN -0.061 nan 8.230 nan 0.000 0.550 225 N N 2.034 120.741 118.700 0.012 0.000 3.083 225 N HA 0.269 5.009 4.740 -0.000 0.000 0.260 225 N C -0.924 174.587 175.510 0.003 0.000 1.163 225 N CA -0.119 52.928 53.050 -0.005 0.000 1.060 225 N CB 0.310 38.780 38.487 -0.029 0.000 1.345 225 N HN 0.043 nan 8.380 nan 0.000 0.515 226 I N 1.708 122.285 120.570 0.012 0.000 2.436 226 I HA 0.485 4.655 4.170 -0.000 0.000 0.289 226 I C -0.040 176.080 176.117 0.005 0.000 1.010 226 I CA -0.581 60.727 61.300 0.015 0.000 1.098 226 I CB 1.346 39.368 38.000 0.036 0.000 1.266 226 I HN 0.211 nan 8.210 nan 0.000 0.434 227 R N 3.784 124.282 120.500 -0.003 0.000 2.549 227 R HA 0.528 4.868 4.340 -0.000 0.000 0.291 227 R C -0.338 175.952 176.300 -0.017 0.000 1.164 227 R CA -0.364 55.729 56.100 -0.011 0.000 0.973 227 R CB 2.136 32.429 30.300 -0.012 0.000 1.210 227 R HN 0.930 nan 8.270 nan 0.000 0.422 228 G N 1.344 110.129 108.800 -0.025 0.000 4.831 228 G HA2 0.327 4.287 3.960 -0.000 0.000 0.231 228 G HA3 0.327 4.287 3.960 -0.000 0.000 0.231 228 G C 0.064 174.931 174.900 -0.055 0.000 1.006 228 G CA 0.126 45.206 45.100 -0.034 0.000 0.792 228 G HN 0.619 nan 8.290 nan 0.000 0.546 229 G N -0.041 108.719 108.800 -0.066 0.000 3.271 229 G HA2 0.636 4.596 3.960 -0.000 0.000 0.174 229 G HA3 0.636 4.596 3.960 -0.000 0.000 0.174 229 G C -0.564 174.267 174.900 -0.114 0.000 1.385 229 G CA -0.686 44.346 45.100 -0.115 0.000 0.979 229 G HN 0.328 nan 8.290 nan 0.000 0.610 230 L N 0.199 121.343 121.223 -0.131 0.000 2.346 230 L HA 0.615 4.955 4.340 -0.000 0.000 0.274 230 L C 0.887 177.729 176.870 -0.047 0.000 1.007 230 L CA -0.705 54.081 54.840 -0.089 0.000 0.818 230 L CB 2.111 44.107 42.059 -0.105 0.000 1.284 230 L HN 0.612 nan 8.230 nan 0.000 0.424 231 G N 2.439 111.229 108.800 -0.016 0.000 2.544 231 G HA2 0.355 4.315 3.960 -0.000 0.000 0.242 231 G HA3 0.355 4.315 3.960 -0.000 0.000 0.242 231 G C -0.553 174.363 174.900 0.027 0.000 1.247 231 G CA -0.432 44.672 45.100 0.005 0.000 0.840 231 G HN 0.437 nan 8.290 nan 0.000 0.578 232 L N 0.960 122.204 121.223 0.035 0.000 2.326 232 L HA 0.318 4.658 4.340 -0.000 0.000 0.278 232 L C 1.505 178.438 176.870 0.105 0.000 1.092 232 L CA 0.571 55.438 54.840 0.044 0.000 0.810 232 L CB 1.621 43.702 42.059 0.037 0.000 1.153 232 L HN 0.799 nan 8.230 nan 0.000 0.439 233 S N 0.848 116.647 115.700 0.166 0.000 2.596 233 S HA -0.139 4.331 4.470 -0.000 0.000 0.260 233 S C 0.043 174.828 174.600 0.308 0.000 1.282 233 S CA 1.005 59.373 58.200 0.282 0.000 1.357 233 S CB -1.084 62.218 63.200 0.170 0.000 1.674 233 S HN 1.297 nan 8.310 nan 0.000 0.641 234 G N -1.202 107.761 108.800 0.271 0.000 2.368 234 G HA2 0.621 4.581 3.960 -0.000 0.000 0.293 234 G HA3 0.621 4.581 3.960 -0.000 0.000 0.293 234 G C 0.176 175.156 174.900 0.133 0.000 1.467 234 G CA 0.148 45.356 45.100 0.179 0.000 0.804 234 G HN 0.960 nan 8.290 nan 0.000 0.535 235 A N -0.500 122.369 122.820 0.083 0.000 2.216 235 A HA 0.443 4.763 4.320 -0.000 0.000 0.214 235 A C 1.121 178.729 177.584 0.040 0.000 1.160 235 A CA 1.992 54.062 52.037 0.055 0.000 0.725 235 A CB -0.666 18.357 19.000 0.039 0.000 0.784 235 A HN 1.876 nan 8.150 nan 0.000 0.472 236 K N -2.162 118.257 120.400 0.032 0.000 6.958 236 K HA -0.094 4.226 4.320 -0.000 0.000 0.778 236 K C -0.226 176.392 176.600 0.030 0.000 2.415 236 K CA 0.731 57.038 56.287 0.035 0.000 1.749 236 K CB -1.306 31.227 32.500 0.055 0.000 2.102 236 K HN 0.957 nan 8.250 nan 0.000 0.285 237 A N 5.813 128.641 122.820 0.012 0.000 2.444 237 A HA 0.167 4.487 4.320 -0.000 0.000 0.287 237 A C -0.188 177.526 177.584 0.217 0.000 1.195 237 A CA 0.084 52.135 52.037 0.023 0.000 0.858 237 A CB 0.011 18.903 19.000 -0.179 0.000 1.117 237 A HN 0.442 nan 8.150 nan 0.000 0.521 238 K N 3.246 123.779 120.400 0.222 0.000 2.262 238 K HA 0.092 4.412 4.320 -0.000 0.000 0.288 238 K C -0.666 176.127 176.600 0.322 0.000 1.090 238 K CA -0.044 56.379 56.287 0.227 0.000 0.918 238 K CB 0.371 32.942 32.500 0.118 0.000 1.139 238 K HN 0.710 nan 8.250 nan 0.000 0.462 239 Y N 1.935 122.353 120.300 0.197 0.000 2.597 239 Y HA -0.169 4.381 4.550 -0.000 0.000 0.336 239 Y C 1.296 177.214 175.900 0.030 0.000 1.216 239 Y CA 1.119 59.195 58.100 -0.040 0.000 1.463 239 Y CB 0.426 38.830 38.460 -0.094 0.000 1.303 239 Y HN 0.666 nan 8.280 nan 0.000 0.576 240 H N 2.903 121.526 119.070 -0.744 0.000 2.276 240 H HA 0.330 4.886 4.556 -0.000 0.000 0.199 240 H C 0.458 175.463 175.328 -0.539 0.000 0.867 240 H CA 0.704 56.491 56.048 -0.435 0.000 0.948 240 H CB 0.274 29.856 29.762 -0.302 0.000 1.251 240 H HN 0.951 nan 8.280 nan 0.000 0.388 241 G N -0.295 107.822 108.800 -1.138 0.000 2.787 241 G HA2 0.392 4.352 3.960 -0.000 0.000 0.685 241 G HA3 0.392 4.352 3.960 -0.000 0.000 0.685 241 G C 0.328 174.782 174.900 -0.744 0.000 1.437 241 G CA 0.321 44.940 45.100 -0.801 0.000 0.872 241 G HN 1.510 nan 8.290 nan 0.000 0.566 242 G N -0.325 108.213 108.800 -0.437 0.000 2.340 242 G HA2 0.671 4.631 3.960 -0.000 0.000 0.282 242 G HA3 0.671 4.631 3.960 -0.000 0.000 0.282 242 G C -0.791 173.991 174.900 -0.197 0.000 1.312 242 G CA 0.705 45.620 45.100 -0.307 0.000 0.942 242 G HN 2.199 nan 8.290 nan 0.000 0.495 243 E N -0.938 119.188 120.200 -0.124 0.000 2.314 243 E HA 0.704 5.054 4.350 -0.000 0.000 0.272 243 E C -1.354 175.205 176.600 -0.069 0.000 0.884 243 E CA -1.003 55.340 56.400 -0.096 0.000 0.753 243 E CB 2.551 32.214 29.700 -0.063 0.000 1.213 243 E HN 0.560 nan 8.360 nan 0.000 0.432 244 I N 1.768 122.284 120.570 -0.091 0.000 2.474 244 I HA 0.445 4.615 4.170 -0.000 0.000 0.294 244 I C -0.144 175.910 176.117 -0.105 0.000 1.005 244 I CA -0.890 60.363 61.300 -0.079 0.000 1.113 244 I CB 1.826 39.776 38.000 -0.082 0.000 1.289 244 I HN 0.335 nan 8.210 nan 0.000 0.436 245 R N 4.653 125.104 120.500 -0.083 0.000 2.435 245 R HA 0.323 4.663 4.340 -0.000 0.000 0.308 245 R C -0.909 175.355 176.300 -0.060 0.000 0.975 245 R CA -0.638 55.400 56.100 -0.104 0.000 0.867 245 R CB 2.033 32.259 30.300 -0.124 0.000 1.171 245 R HN 0.536 nan 8.270 nan 0.000 0.470 246 E N 3.111 123.278 120.200 -0.055 0.000 2.121 246 E HA 0.074 4.424 4.350 -0.000 0.000 0.255 246 E C -0.582 176.015 176.600 -0.005 0.000 0.906 246 E CA -0.608 55.790 56.400 -0.004 0.000 0.745 246 E CB 1.097 30.824 29.700 0.045 0.000 1.155 246 E HN 0.296 nan 8.360 nan 0.000 0.424 247 Q N 1.753 121.548 119.800 -0.008 0.000 2.315 247 Q HA -0.001 4.339 4.340 -0.000 0.000 0.289 247 Q C 0.007 176.013 176.000 0.010 0.000 1.044 247 Q CA 0.951 56.752 55.803 -0.004 0.000 0.920 247 Q CB 0.824 29.560 28.738 -0.003 0.000 1.214 247 Q HN 0.633 nan 8.270 nan 0.000 0.392 248 N N -0.388 118.317 118.700 0.010 0.000 2.072 248 N HA 0.085 4.825 4.740 -0.000 0.000 0.246 248 N C 0.387 175.905 175.510 0.013 0.000 1.215 248 N CA 0.424 53.481 53.050 0.013 0.000 0.799 248 N CB 0.586 39.084 38.487 0.018 0.000 1.407 248 N HN 0.728 nan 8.380 nan 0.000 0.489 249 G N 1.508 110.317 108.800 0.016 0.000 2.296 249 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.282 249 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.282 249 G C 0.115 175.031 174.900 0.027 0.000 1.014 249 G CA 0.972 46.085 45.100 0.020 0.000 0.812 249 G HN 0.412 nan 8.290 nan 0.000 0.508 250 D N 0.242 120.662 120.400 0.033 0.000 2.344 250 D HA 0.282 4.922 4.640 -0.000 0.000 0.242 250 D C 1.907 178.239 176.300 0.053 0.000 1.159 250 D CA 1.539 55.563 54.000 0.039 0.000 0.859 250 D CB -0.470 40.355 40.800 0.042 0.000 0.925 250 D HN 1.027 nan 8.370 nan 0.000 0.510 251 S N -1.857 113.871 115.700 0.047 0.000 1.703 251 S HA -0.297 4.173 4.470 -0.000 0.000 0.232 251 S C 0.310 174.944 174.600 0.057 0.000 0.865 251 S CA 1.084 59.312 58.200 0.047 0.000 1.462 251 S CB -1.588 61.638 63.200 0.043 0.000 1.879 251 S HN 0.287 nan 8.310 nan 0.000 0.532 252 L N 2.064 123.338 121.223 0.085 0.000 2.346 252 L HA 0.777 5.117 4.340 -0.000 0.000 0.276 252 L C -0.100 176.850 176.870 0.133 0.000 1.006 252 L CA -1.151 53.747 54.840 0.096 0.000 0.817 252 L CB 1.914 44.037 42.059 0.106 0.000 1.272 252 L HN 0.214 nan 8.230 nan 0.000 0.421 253 V N 2.532 122.490 119.914 0.072 0.000 2.455 253 V HA 0.128 4.248 4.120 -0.000 0.000 0.273 253 V C 0.100 176.223 176.094 0.047 0.000 1.045 253 V CA -0.208 62.128 62.300 0.060 0.000 0.976 253 V CB 0.282 32.106 31.823 0.003 0.000 0.993 253 V HN 0.565 nan 8.190 nan 0.000 0.475 254 H N 3.823 122.865 119.070 -0.047 0.000 2.519 254 H HA 0.668 5.224 4.556 -0.000 0.000 0.316 254 H C -0.017 175.125 175.328 -0.309 0.000 1.065 254 H CA -0.253 55.722 56.048 -0.121 0.000 1.264 254 H CB 1.818 31.590 29.762 0.017 0.000 1.413 254 H HN 0.755 nan 8.280 nan 0.000 0.465 255 A N 2.598 125.172 122.820 -0.411 0.000 2.386 255 A HA 0.752 5.072 4.320 -0.000 0.000 0.311 255 A C -1.028 176.132 177.584 -0.707 0.000 1.068 255 A CA -0.595 51.176 52.037 -0.444 0.000 0.743 255 A CB 1.525 20.377 19.000 -0.246 0.000 1.258 255 A HN 0.720 nan 8.150 nan 0.000 0.429 256 A N 1.990 124.467 122.820 -0.572 0.000 2.353 256 A HA 0.693 5.013 4.320 -0.000 0.000 0.299 256 A C -1.238 176.059 177.584 -0.478 0.000 1.089 256 A CA -0.305 51.406 52.037 -0.543 0.000 0.736 256 A CB 0.961 19.665 19.000 -0.495 0.000 1.195 256 A HN 1.032 nan 8.150 nan 0.000 0.447 257 L N 3.700 124.556 121.223 -0.612 0.000 2.356 257 L HA 0.800 5.140 4.340 -0.000 0.000 0.277 257 L C -1.499 175.129 176.870 -0.403 0.000 0.996 257 L CA -0.624 53.867 54.840 -0.581 0.000 0.822 257 L CB 1.726 43.289 42.059 -0.825 0.000 1.256 257 L HN 0.548 nan 8.230 nan 0.000 0.413 258 V N 3.274 123.111 119.914 -0.128 0.000 3.049 258 V HA 0.862 4.982 4.120 -0.000 0.000 0.309 258 V C -0.617 175.579 176.094 0.171 0.000 1.148 258 V CA -0.433 61.918 62.300 0.085 0.000 0.990 258 V CB 2.262 34.061 31.823 -0.040 0.000 1.039 258 V HN 0.907 nan 8.190 nan 0.000 0.430 259 A N 2.269 125.272 122.820 0.305 0.000 2.479 259 A HA 0.761 5.081 4.320 -0.000 0.000 0.296 259 A C -0.488 177.053 177.584 -0.072 0.000 1.121 259 A CA -0.651 51.444 52.037 0.096 0.000 0.743 259 A CB 1.417 20.454 19.000 0.061 0.000 1.323 259 A HN 0.831 nan 8.150 nan 0.000 0.415 260 E N 0.495 120.367 120.200 -0.547 0.000 2.480 260 E HA 0.201 4.551 4.350 -0.000 0.000 0.258 260 E C 0.801 177.222 176.600 -0.299 0.000 0.984 260 E CA 0.574 56.622 56.400 -0.586 0.000 0.930 260 E CB 0.410 29.517 29.700 -0.988 0.000 0.936 260 E HN 0.732 nan 8.360 nan 0.000 0.466 261 S N 3.535 119.026 115.700 -0.347 0.000 3.446 261 S HA 0.695 5.165 4.470 -0.000 0.000 0.177 261 S C -0.089 174.271 174.600 -0.400 0.000 0.834 261 S CA -0.124 57.619 58.200 -0.761 0.000 1.201 261 S CB 0.501 62.856 63.200 -1.409 0.000 0.765 261 S HN 0.527 nan 8.310 nan 0.000 0.761 262 A N 0.250 122.859 122.820 -0.351 0.000 2.449 262 A HA 0.849 5.169 4.320 -0.000 0.000 0.302 262 A C -0.219 177.356 177.584 -0.017 0.000 1.048 262 A CA -0.490 51.515 52.037 -0.053 0.000 0.708 262 A CB 1.071 20.134 19.000 0.104 0.000 1.274 262 A HN 1.372 nan 8.150 nan 0.000 0.410 263 A N 1.673 124.515 122.820 0.036 0.000 2.511 263 A HA 0.447 4.767 4.320 -0.000 0.000 0.242 263 A C 0.431 178.037 177.584 0.036 0.000 1.069 263 A CA -0.020 52.050 52.037 0.056 0.000 0.763 263 A CB -0.240 18.803 19.000 0.071 0.000 1.001 263 A HN 1.140 nan 8.150 nan 0.000 0.498 264 I N 1.921 122.507 120.570 0.027 0.000 2.845 264 I HA 0.234 4.404 4.170 -0.000 0.000 0.296 264 I C 1.493 177.619 176.117 0.016 0.000 1.216 264 I CA 2.090 63.396 61.300 0.010 0.000 1.438 264 I CB 0.453 38.452 38.000 -0.001 0.000 1.342 264 I HN 1.175 nan 8.210 nan 0.000 0.577 265 G N 3.903 112.703 108.800 0.000 0.000 2.299 265 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.237 265 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.237 265 G C 0.398 175.297 174.900 -0.002 0.000 1.027 265 G CA 0.207 45.303 45.100 -0.007 0.000 0.619 265 G HN 1.040 nan 8.290 nan 0.000 0.513 266 S N 0.945 116.654 115.700 0.015 0.000 2.560 266 S HA 0.611 5.081 4.470 -0.000 0.000 0.284 266 S C 1.777 176.387 174.600 0.017 0.000 1.327 266 S CA 0.632 58.845 58.200 0.021 0.000 1.055 266 S CB 1.629 64.853 63.200 0.040 0.000 0.868 266 S HN 1.852 nan 8.310 nan 0.000 0.506 267 A N 1.995 124.820 122.820 0.007 0.000 1.948 267 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 267 A C 2.138 179.731 177.584 0.014 0.000 1.177 267 A CA 1.821 53.856 52.037 -0.002 0.000 0.636 267 A CB -1.083 17.910 19.000 -0.012 0.000 0.815 267 A HN 1.006 nan 8.150 nan 0.000 0.449 268 E N -0.404 119.824 120.200 0.046 0.000 2.118 268 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 268 E C 2.236 178.958 176.600 0.203 0.000 0.992 268 E CA 0.936 57.395 56.400 0.099 0.000 0.804 268 E CB -0.242 29.546 29.700 0.147 0.000 0.741 268 E HN 0.610 nan 8.360 nan 0.000 0.458 269 A N 1.280 124.199 122.820 0.165 0.000 1.917 269 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 269 A C 1.762 179.421 177.584 0.125 0.000 1.182 269 A CA 2.045 54.178 52.037 0.160 0.000 0.633 269 A CB -0.867 18.172 19.000 0.065 0.000 0.819 269 A HN 0.354 nan 8.150 nan 0.000 0.448 270 N N 0.273 119.002 118.700 0.047 0.000 2.166 270 N HA -0.054 4.686 4.740 -0.000 0.000 0.186 270 N C 1.876 177.378 175.510 -0.013 0.000 1.019 270 N CA 1.254 54.306 53.050 0.003 0.000 0.856 270 N CB -0.306 38.160 38.487 -0.035 0.000 0.993 270 N HN 0.511 nan 8.380 nan 0.000 0.426 271 A N 0.593 123.384 122.820 -0.048 0.000 1.902 271 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 271 A C 1.761 179.184 177.584 -0.268 0.000 1.181 271 A CA 1.121 53.056 52.037 -0.170 0.000 0.623 271 A CB -0.822 18.029 19.000 -0.248 0.000 0.818 271 A HN 0.204 nan 8.150 nan 0.000 0.443 272 F N 0.862 120.720 119.950 -0.154 0.000 2.134 272 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 272 F C 2.823 178.559 175.800 -0.108 0.000 1.097 272 F CA 1.675 59.519 58.000 -0.260 0.000 1.264 272 F CB -0.498 38.390 39.000 -0.187 0.000 1.001 272 F HN 0.146 nan 8.300 nan 0.000 0.479 273 S N -0.352 115.452 115.700 0.174 0.000 2.382 273 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 273 S C 2.292 177.026 174.600 0.224 0.000 1.027 273 S CA 1.222 59.541 58.200 0.198 0.000 0.991 273 S CB -0.530 62.746 63.200 0.127 0.000 0.823 273 S HN 0.143 nan 8.310 nan 0.000 0.469 274 V N 1.746 121.717 119.914 0.095 0.000 2.379 274 V HA -0.085 4.035 4.120 -0.000 0.000 0.245 274 V C 2.220 178.364 176.094 0.084 0.000 1.044 274 V CA 1.273 63.619 62.300 0.077 0.000 1.036 274 V CB -0.654 31.163 31.823 -0.010 0.000 0.664 274 V HN 0.356 nan 8.190 nan 0.000 0.453 275 L N 0.313 121.521 121.223 -0.025 0.000 2.012 275 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 275 L C 2.523 179.482 176.870 0.148 0.000 1.073 275 L CA 2.341 57.142 54.840 -0.065 0.000 0.748 275 L CB -0.909 40.910 42.059 -0.400 0.000 0.891 275 L HN 0.416 nan 8.230 nan 0.000 0.431 276 Q N -1.188 118.796 119.800 0.307 0.000 2.118 276 Q HA -0.319 4.021 4.340 -0.000 0.000 0.211 276 Q C 2.036 178.084 176.000 0.079 0.000 0.998 276 Q CA 2.533 58.545 55.803 0.348 0.000 0.872 276 Q CB -0.197 28.745 28.738 0.341 0.000 0.925 276 Q HN 0.722 nan 8.270 nan 0.000 0.414 277 H N -1.368 117.792 119.070 0.150 0.000 2.512 277 H HA 0.024 4.580 4.556 -0.000 0.000 0.279 277 H C 1.945 177.326 175.328 0.089 0.000 0.999 277 H CA 0.868 56.986 56.048 0.118 0.000 1.283 277 H CB 0.345 30.166 29.762 0.097 0.000 1.421 277 H HN 0.045 nan 8.280 nan 0.000 0.554 278 V N 0.540 120.550 119.914 0.160 0.000 2.261 278 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 278 V C 2.281 178.434 176.094 0.097 0.000 1.047 278 V CA 1.744 64.104 62.300 0.099 0.000 1.015 278 V CB -0.520 31.340 31.823 0.061 0.000 0.642 278 V HN 0.356 nan 8.190 nan 0.000 0.446 279 L N -0.302 120.993 121.223 0.120 0.000 2.072 279 L HA 0.240 4.580 4.340 -0.000 0.000 0.205 279 L C 1.074 178.008 176.870 0.108 0.000 1.079 279 L CA 1.197 56.109 54.840 0.119 0.000 0.752 279 L CB -0.442 41.723 42.059 0.176 0.000 0.906 279 L HN 0.608 nan 8.230 nan 0.000 0.436 280 G N -1.211 107.644 108.800 0.091 0.000 3.313 280 G HA2 0.213 4.173 3.960 -0.000 0.000 0.659 280 G HA3 0.213 4.173 3.960 -0.000 0.000 0.659 280 G C -0.409 174.514 174.900 0.037 0.000 1.286 280 G CA -0.465 44.682 45.100 0.079 0.000 1.077 280 G HN 0.291 nan 8.290 nan 0.000 0.551 281 A N 1.927 124.716 122.820 -0.052 0.000 3.754 281 A HA 0.977 5.297 4.320 -0.000 0.000 0.165 281 A C 1.697 179.283 177.584 0.004 0.000 1.775 281 A CA 0.923 52.912 52.037 -0.080 0.000 1.457 281 A CB -0.529 18.313 19.000 -0.262 0.000 1.597 281 A HN 2.336 nan 8.150 nan 0.000 0.658 282 G N -0.587 108.198 108.800 -0.026 0.000 2.651 282 G HA2 0.477 4.437 3.960 -0.000 0.000 0.260 282 G HA3 0.477 4.437 3.960 -0.000 0.000 0.260 282 G C -2.323 172.545 174.900 -0.053 0.000 1.216 282 G CA -0.588 44.489 45.100 -0.039 0.000 0.913 282 G HN 0.552 nan 8.290 nan 0.000 0.535 283 P HA 0.321 nan 4.420 nan 0.000 0.277 283 P C -0.615 176.597 177.300 -0.147 0.000 1.240 283 P CA -0.276 62.790 63.100 -0.056 0.000 0.798 283 P CB 1.370 33.027 31.700 -0.072 0.000 0.979 284 H N -0.988 118.065 119.070 -0.029 0.000 2.604 284 H HA 0.226 4.782 4.556 -0.000 0.000 0.273 284 H C 0.150 175.465 175.328 -0.021 0.000 0.971 284 H CA 0.397 56.438 56.048 -0.012 0.000 1.249 284 H CB 0.454 30.215 29.762 -0.001 0.000 1.449 284 H HN 0.028 nan 8.280 nan 0.000 0.512 285 V N 1.463 121.416 119.914 0.065 0.000 2.495 285 V HA 0.149 4.269 4.120 -0.000 0.000 0.298 285 V C 0.070 176.157 176.094 -0.012 0.000 1.031 285 V CA -1.387 60.925 62.300 0.021 0.000 0.871 285 V CB 2.164 33.993 31.823 0.011 0.000 0.988 285 V HN 0.128 nan 8.190 nan 0.000 0.432 286 K N 4.286 124.679 120.400 -0.012 0.000 2.351 286 K HA 0.203 4.523 4.320 -0.000 0.000 0.287 286 K C 0.569 177.154 176.600 -0.023 0.000 1.068 286 K CA 0.271 56.546 56.287 -0.019 0.000 0.998 286 K CB -0.177 32.315 32.500 -0.013 0.000 0.968 286 K HN 0.685 nan 8.250 nan 0.000 0.464 287 R N 0.838 121.317 120.500 -0.035 0.000 3.854 287 R HA -0.126 4.214 4.340 -0.000 0.000 0.430 287 R C 0.483 176.752 176.300 -0.052 0.000 1.068 287 R CA 0.542 56.619 56.100 -0.040 0.000 1.104 287 R CB -2.033 28.252 30.300 -0.025 0.000 1.729 287 R HN 0.820 nan 8.270 nan 0.000 0.533 288 G N 0.279 109.040 108.800 -0.065 0.000 2.569 288 G HA2 0.213 4.173 3.960 -0.000 0.000 0.249 288 G HA3 0.213 4.173 3.960 -0.000 0.000 0.249 288 G C 0.875 175.695 174.900 -0.133 0.000 1.216 288 G CA 0.144 45.198 45.100 -0.076 0.000 0.845 288 G HN 0.263 nan 8.290 nan 0.000 0.568 289 S N 0.113 115.749 115.700 -0.107 0.000 2.607 289 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 289 S C 0.887 175.354 174.600 -0.222 0.000 0.969 289 S CA 0.460 58.589 58.200 -0.119 0.000 0.927 289 S CB -0.471 62.717 63.200 -0.020 0.000 0.772 289 S HN 0.759 nan 8.310 nan 0.000 0.533 290 N N 0.951 119.504 118.700 -0.246 0.000 2.696 290 N HA -0.203 4.537 4.740 -0.000 0.000 0.256 290 N C 0.827 176.286 175.510 -0.086 0.000 1.031 290 N CA 0.673 53.583 53.050 -0.233 0.000 0.730 290 N CB -1.655 36.535 38.487 -0.495 0.000 0.894 290 N HN 0.631 nan 8.380 nan 0.000 0.544 291 A N 0.750 123.544 122.820 -0.042 0.000 1.940 291 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 291 A C 2.235 179.826 177.584 0.012 0.000 1.176 291 A CA 2.257 54.294 52.037 -0.000 0.000 0.631 291 A CB -0.478 18.518 19.000 -0.006 0.000 0.814 291 A HN 0.706 nan 8.150 nan 0.000 0.446 292 T N -3.381 111.169 114.554 -0.007 0.000 3.144 292 T HA 0.248 4.598 4.350 -0.000 0.000 0.249 292 T C 0.606 175.322 174.700 0.026 0.000 1.089 292 T CA 0.599 62.698 62.100 -0.002 0.000 0.989 292 T CB -0.275 68.571 68.868 -0.037 0.000 0.992 292 T HN 0.200 nan 8.240 nan 0.000 0.540 293 S N 0.818 116.547 115.700 0.048 0.000 2.399 293 S HA 0.393 4.863 4.470 -0.000 0.000 0.301 293 S C 1.371 176.043 174.600 0.120 0.000 1.093 293 S CA -0.544 57.712 58.200 0.093 0.000 1.077 293 S CB 0.629 63.895 63.200 0.110 0.000 0.980 293 S HN 0.389 nan 8.310 nan 0.000 0.494 294 S N 4.361 120.116 115.700 0.093 0.000 2.359 294 S HA -0.070 4.400 4.470 -0.000 0.000 0.224 294 S C 1.748 176.389 174.600 0.069 0.000 1.035 294 S CA 1.382 59.626 58.200 0.073 0.000 1.018 294 S CB -0.384 62.849 63.200 0.056 0.000 0.876 294 S HN 0.792 nan 8.310 nan 0.000 0.448 295 L N -0.742 120.527 121.223 0.076 0.000 2.056 295 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 295 L C 2.238 179.147 176.870 0.066 0.000 1.078 295 L CA 1.530 56.383 54.840 0.021 0.000 0.749 295 L CB -0.548 41.511 42.059 -0.000 0.000 0.901 295 L HN 0.379 nan 8.230 nan 0.000 0.433 296 Y N 0.348 120.693 120.300 0.076 0.000 2.145 296 Y HA -0.270 4.280 4.550 -0.000 0.000 0.286 296 Y C 2.837 178.840 175.900 0.171 0.000 1.145 296 Y CA 1.429 59.640 58.100 0.184 0.000 1.148 296 Y CB 0.148 38.702 38.460 0.157 0.000 0.981 296 Y HN 0.166 nan 8.280 nan 0.000 0.507 297 Q N -0.412 119.562 119.800 0.291 0.000 2.167 297 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 297 Q C 2.426 178.466 176.000 0.068 0.000 0.970 297 Q CA 1.201 57.115 55.803 0.186 0.000 0.855 297 Q CB -0.622 28.197 28.738 0.134 0.000 0.911 297 Q HN 0.593 nan 8.270 nan 0.000 0.438 298 A N 0.216 123.042 122.820 0.009 0.000 1.897 298 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 298 A C 2.409 179.899 177.584 -0.155 0.000 1.181 298 A CA 1.187 53.186 52.037 -0.063 0.000 0.620 298 A CB -0.465 18.492 19.000 -0.072 0.000 0.821 298 A HN 0.190 nan 8.150 nan 0.000 0.443 299 V N -0.033 119.727 119.914 -0.257 0.000 2.358 299 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 299 V C 3.024 178.792 176.094 -0.542 0.000 1.047 299 V CA 1.800 63.782 62.300 -0.532 0.000 1.035 299 V CB -1.214 30.077 31.823 -0.887 0.000 0.658 299 V HN 0.580 nan 8.190 nan 0.000 0.452 300 A N -0.377 122.311 122.820 -0.220 0.000 2.019 300 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 300 A C 2.265 179.830 177.584 -0.032 0.000 1.164 300 A CA 2.120 54.194 52.037 0.063 0.000 0.644 300 A CB -0.483 18.712 19.000 0.325 0.000 0.805 300 A HN 0.528 nan 8.150 nan 0.000 0.449 301 K N -1.015 119.350 120.400 -0.059 0.000 2.032 301 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 301 K C 1.594 178.140 176.600 -0.090 0.000 1.048 301 K CA 1.643 57.911 56.287 -0.032 0.000 0.927 301 K CB -0.323 32.161 32.500 -0.027 0.000 0.712 301 K HN 0.430 nan 8.250 nan 0.000 0.441 302 G N -1.144 107.521 108.800 -0.224 0.000 3.192 302 G HA2 0.223 4.183 3.960 -0.000 0.000 0.239 302 G HA3 0.223 4.183 3.960 -0.000 0.000 0.239 302 G C -0.776 173.822 174.900 -0.504 0.000 1.084 302 G CA -0.290 44.655 45.100 -0.258 0.000 0.784 302 G HN 0.061 nan 8.290 nan 0.000 0.540 303 V N 1.354 120.873 119.914 -0.657 0.000 2.483 303 V HA 0.380 4.500 4.120 -0.000 0.000 0.297 303 V C -0.084 175.725 176.094 -0.475 0.000 1.027 303 V CA -0.792 61.169 62.300 -0.564 0.000 0.855 303 V CB 1.469 32.987 31.823 -0.508 0.000 0.995 303 V HN 0.339 nan 8.190 nan 0.000 0.424 304 H N 1.977 121.084 119.070 0.061 0.000 2.827 304 H HA 0.280 4.836 4.556 -0.000 0.000 0.269 304 H C 0.473 175.865 175.328 0.106 0.000 1.031 304 H CA -0.097 56.005 56.048 0.090 0.000 1.202 304 H CB 0.904 30.692 29.762 0.045 0.000 1.511 304 H HN 0.560 nan 8.280 nan 0.000 0.517 305 Q N 2.005 121.905 119.800 0.167 0.000 2.249 305 Q HA 0.237 4.577 4.340 -0.000 0.000 0.226 305 Q C -2.133 173.971 176.000 0.173 0.000 0.983 305 Q CA -1.742 54.145 55.803 0.140 0.000 0.930 305 Q CB 0.350 29.144 28.738 0.093 0.000 1.193 305 Q HN 0.118 nan 8.270 nan 0.000 0.508 306 P HA 0.005 nan 4.420 nan 0.000 0.264 306 P C -1.253 176.102 177.300 0.093 0.000 1.193 306 P CA 0.453 63.565 63.100 0.019 0.000 0.763 306 P CB -0.003 31.703 31.700 0.009 0.000 0.810 307 F N -0.064 119.853 119.950 -0.055 0.000 2.711 307 F HA 0.753 5.280 4.527 -0.000 0.000 0.313 307 F C -1.534 174.220 175.800 -0.077 0.000 1.141 307 F CA -1.187 56.753 58.000 -0.100 0.000 0.941 307 F CB 1.469 40.364 39.000 -0.175 0.000 1.349 307 F HN 0.073 nan 8.300 nan 0.000 0.464 308 D N 0.657 121.138 120.400 0.134 0.000 2.601 308 D HA 0.725 5.365 4.640 -0.000 0.000 0.230 308 D C -1.513 174.952 176.300 0.274 0.000 1.106 308 D CA -0.326 53.770 54.000 0.161 0.000 0.873 308 D CB 2.743 43.625 40.800 0.137 0.000 1.515 308 D HN 0.698 nan 8.370 nan 0.000 0.468 309 V N -0.036 120.047 119.914 0.282 0.000 2.925 309 V HA 0.864 4.984 4.120 -0.000 0.000 0.311 309 V C -0.434 175.824 176.094 0.275 0.000 1.104 309 V CA -0.822 61.627 62.300 0.248 0.000 0.954 309 V CB 1.642 33.542 31.823 0.127 0.000 1.022 309 V HN 0.493 nan 8.190 nan 0.000 0.427 310 S N 1.393 117.246 115.700 0.255 0.000 2.536 310 S HA 0.792 5.262 4.470 -0.000 0.000 0.271 310 S C -0.285 174.438 174.600 0.204 0.000 1.134 310 S CA 0.079 58.400 58.200 0.201 0.000 0.897 310 S CB 1.772 65.068 63.200 0.159 0.000 1.094 310 S HN 1.876 nan 8.310 nan 0.000 0.473 311 A N 3.262 126.155 122.820 0.121 0.000 2.488 311 A HA 0.527 4.847 4.320 -0.000 0.000 0.249 311 A C -0.605 176.991 177.584 0.019 0.000 1.083 311 A CA 0.075 52.130 52.037 0.029 0.000 0.768 311 A CB -0.387 18.646 19.000 0.054 0.000 1.017 311 A HN 0.842 nan 8.150 nan 0.000 0.496 312 F N 3.226 123.002 119.950 -0.290 0.000 2.436 312 F HA 0.495 5.022 4.527 -0.000 0.000 0.340 312 F C 0.056 175.667 175.800 -0.316 0.000 1.113 312 F CA -0.538 57.332 58.000 -0.217 0.000 1.022 312 F CB 1.223 40.146 39.000 -0.127 0.000 1.128 312 F HN 0.645 nan 8.300 nan 0.000 0.466 313 N N 4.818 123.183 118.700 -0.558 0.000 2.558 313 N HA 0.573 5.313 4.740 -0.000 0.000 0.285 313 N C -2.054 173.163 175.510 -0.489 0.000 1.112 313 N CA -0.278 52.613 53.050 -0.265 0.000 0.857 313 N CB 1.491 40.035 38.487 0.095 0.000 1.376 313 N HN 0.746 nan 8.380 nan 0.000 0.526 314 A N 2.462 125.030 122.820 -0.420 0.000 2.340 314 A HA 0.518 4.838 4.320 -0.000 0.000 0.297 314 A C -0.824 176.483 177.584 -0.461 0.000 1.195 314 A CA -0.503 51.264 52.037 -0.449 0.000 0.769 314 A CB 1.400 20.263 19.000 -0.230 0.000 1.163 314 A HN 0.406 nan 8.150 nan 0.000 0.472 315 S N 1.414 116.783 115.700 -0.552 0.000 2.472 315 S HA 0.825 5.295 4.470 -0.000 0.000 0.303 315 S C -1.043 173.204 174.600 -0.588 0.000 1.099 315 S CA -0.208 57.744 58.200 -0.414 0.000 1.077 315 S CB 0.416 63.510 63.200 -0.178 0.000 1.031 315 S HN 0.531 nan 8.310 nan 0.000 0.487 316 Y N 0.374 120.697 120.300 0.038 0.000 2.790 316 Y HA 0.288 4.838 4.550 -0.000 0.000 0.323 316 Y C 1.805 177.720 175.900 0.025 0.000 1.230 316 Y CA -0.779 57.337 58.100 0.026 0.000 1.121 316 Y CB 0.820 39.285 38.460 0.009 0.000 1.328 316 Y HN 0.657 nan 8.280 nan 0.000 0.514 317 S N -0.583 115.244 115.700 0.212 0.000 2.419 317 S HA -0.160 4.310 4.470 -0.000 0.000 0.233 317 S C 0.489 175.154 174.600 0.109 0.000 1.016 317 S CA 1.859 60.136 58.200 0.129 0.000 0.974 317 S CB -0.283 62.988 63.200 0.118 0.000 0.786 317 S HN 0.837 nan 8.310 nan 0.000 0.492 318 D N -1.306 119.167 120.400 0.122 0.000 2.480 318 D HA 0.345 4.985 4.640 -0.000 0.000 0.276 318 D C 0.101 176.482 176.300 0.135 0.000 1.294 318 D CA -0.063 53.998 54.000 0.103 0.000 0.829 318 D CB 0.041 40.887 40.800 0.076 0.000 1.242 318 D HN 0.293 nan 8.370 nan 0.000 0.513 319 S N -1.561 114.253 115.700 0.190 0.000 2.643 319 S HA 0.768 5.237 4.470 -0.000 0.000 0.270 319 S C -1.263 173.515 174.600 0.297 0.000 1.166 319 S CA -0.151 58.203 58.200 0.258 0.000 0.815 319 S CB 1.496 64.941 63.200 0.409 0.000 1.139 319 S HN 0.456 nan 8.310 nan 0.000 0.472 320 G N 0.660 109.609 108.800 0.248 0.000 2.704 320 G HA2 0.655 4.615 3.960 -0.000 0.000 0.293 320 G HA3 0.655 4.615 3.960 -0.000 0.000 0.293 320 G C -2.203 172.797 174.900 0.167 0.000 1.421 320 G CA -0.606 44.594 45.100 0.166 0.000 0.870 320 G HN 0.707 nan 8.290 nan 0.000 0.492 321 L N 0.696 122.034 121.223 0.191 0.000 2.356 321 L HA 0.637 4.977 4.340 -0.000 0.000 0.277 321 L C -1.309 175.671 176.870 0.183 0.000 0.996 321 L CA -0.736 54.223 54.840 0.198 0.000 0.822 321 L CB 2.182 44.444 42.059 0.339 0.000 1.256 321 L HN 0.506 nan 8.230 nan 0.000 0.413 322 F N 1.889 121.854 119.950 0.026 0.000 2.540 322 F HA 0.855 5.382 4.527 -0.000 0.000 0.317 322 F C 0.254 176.140 175.800 0.144 0.000 1.104 322 F CA 0.129 58.173 58.000 0.074 0.000 0.913 322 F CB 2.049 41.022 39.000 -0.046 0.000 1.170 322 F HN 0.518 nan 8.300 nan 0.000 0.450 323 G N 3.857 112.145 108.800 -0.853 0.000 2.667 323 G HA2 0.308 4.268 3.960 -0.000 0.000 0.081 323 G HA3 0.308 4.268 3.960 -0.000 0.000 0.081 323 G C -1.512 173.004 174.900 -0.639 0.000 1.105 323 G CA 0.082 44.601 45.100 -0.968 0.000 1.326 323 G HN 0.940 nan 8.290 nan 0.000 0.603 324 F N -1.241 118.533 119.950 -0.293 0.000 2.643 324 F HA 0.881 5.408 4.527 -0.000 0.000 0.314 324 F C -1.581 174.214 175.800 -0.009 0.000 1.096 324 F CA -1.975 55.957 58.000 -0.114 0.000 0.953 324 F CB 1.796 40.743 39.000 -0.087 0.000 1.345 324 F HN 0.561 nan 8.300 nan 0.000 0.468 325 Y N 1.000 121.419 120.300 0.198 0.000 2.406 325 Y HA 0.619 5.168 4.550 -0.000 0.000 0.340 325 Y C -0.838 175.163 175.900 0.169 0.000 0.975 325 Y CA -0.525 57.629 58.100 0.090 0.000 1.056 325 Y CB 2.129 40.625 38.460 0.060 0.000 1.210 325 Y HN 0.950 nan 8.280 nan 0.000 0.448 326 T N 4.630 119.223 114.554 0.064 0.000 2.841 326 T HA 0.662 5.012 4.350 -0.000 0.000 0.285 326 T C -0.911 173.766 174.700 -0.039 0.000 0.991 326 T CA -0.636 61.515 62.100 0.084 0.000 0.966 326 T CB 0.927 69.828 68.868 0.055 0.000 0.962 326 T HN 0.475 nan 8.240 nan 0.000 0.438 327 I N 3.413 123.993 120.570 0.017 0.000 2.354 327 I HA 0.636 4.806 4.170 -0.000 0.000 0.292 327 I C 0.323 176.433 176.117 -0.012 0.000 0.989 327 I CA -0.468 60.747 61.300 -0.142 0.000 1.188 327 I CB 1.706 39.544 38.000 -0.269 0.000 1.342 327 I HN 0.981 nan 8.210 nan 0.000 0.457 328 S N 4.281 119.965 115.700 -0.027 0.000 2.596 328 S HA 0.412 4.882 4.470 -0.000 0.000 0.270 328 S C -1.019 173.590 174.600 0.015 0.000 1.155 328 S CA -1.164 57.052 58.200 0.025 0.000 0.827 328 S CB 1.663 64.861 63.200 -0.003 0.000 1.130 328 S HN 0.467 nan 8.310 nan 0.000 0.467 329 Q N 0.797 120.613 119.800 0.026 0.000 2.304 329 Q HA 0.183 4.523 4.340 -0.000 0.000 0.301 329 Q C 1.776 177.776 176.000 0.000 0.000 1.063 329 Q CA 0.700 56.512 55.803 0.015 0.000 0.947 329 Q CB 0.744 29.489 28.738 0.012 0.000 1.201 329 Q HN 0.984 nan 8.270 nan 0.000 0.389 330 A N 3.721 126.548 122.820 0.011 0.000 1.909 330 A HA -0.318 4.002 4.320 -0.000 0.000 0.221 330 A C 1.967 179.559 177.584 0.013 0.000 1.223 330 A CA 2.618 54.669 52.037 0.023 0.000 0.658 330 A CB -0.736 18.289 19.000 0.043 0.000 0.831 330 A HN 0.851 nan 8.150 nan 0.000 0.462 331 A N -1.654 121.123 122.820 -0.071 0.000 2.015 331 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 331 A C 2.204 179.685 177.584 -0.172 0.000 1.163 331 A CA 1.784 53.666 52.037 -0.258 0.000 0.646 331 A CB -0.459 18.364 19.000 -0.296 0.000 0.806 331 A HN 0.451 nan 8.150 nan 0.000 0.448 332 S N -0.700 114.948 115.700 -0.087 0.000 2.575 332 S HA 0.340 4.810 4.470 -0.000 0.000 0.215 332 S C 1.911 176.472 174.600 -0.066 0.000 0.966 332 S CA 0.411 58.564 58.200 -0.078 0.000 0.911 332 S CB 0.026 63.185 63.200 -0.069 0.000 0.780 332 S HN 0.720 nan 8.310 nan 0.000 0.514 333 A N 1.772 124.573 122.820 -0.031 0.000 1.902 333 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 333 A C 2.241 179.810 177.584 -0.025 0.000 1.181 333 A CA 1.781 53.801 52.037 -0.028 0.000 0.623 333 A CB -1.321 17.669 19.000 -0.016 0.000 0.818 333 A HN 0.510 nan 8.150 nan 0.000 0.443 334 G N -0.143 108.658 108.800 0.001 0.000 2.433 334 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 334 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 334 G C 1.145 176.040 174.900 -0.008 0.000 1.186 334 G CA 1.170 46.279 45.100 0.013 0.000 0.779 334 G HN 0.459 nan 8.290 nan 0.000 0.543 335 D N 0.316 120.693 120.400 -0.040 0.000 2.123 335 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 335 D C 2.750 178.969 176.300 -0.136 0.000 0.992 335 D CA 0.976 54.927 54.000 -0.082 0.000 0.833 335 D CB -0.511 40.226 40.800 -0.106 0.000 0.954 335 D HN 0.217 nan 8.370 nan 0.000 0.455 336 V N 1.048 120.863 119.914 -0.166 0.000 2.307 336 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 336 V C 2.525 178.523 176.094 -0.160 0.000 1.045 336 V CA 1.045 63.198 62.300 -0.246 0.000 1.024 336 V CB -0.340 31.330 31.823 -0.254 0.000 0.651 336 V HN 0.138 nan 8.190 nan 0.000 0.449 337 I N -0.373 120.178 120.570 -0.031 0.000 2.226 337 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 337 I C 2.497 178.687 176.117 0.121 0.000 1.100 337 I CA 1.696 63.069 61.300 0.123 0.000 1.374 337 I CB -0.397 37.697 38.000 0.156 0.000 1.057 337 I HN 0.221 nan 8.210 nan 0.000 0.413 338 K N 0.789 121.232 120.400 0.072 0.000 2.031 338 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 338 K C 2.338 178.954 176.600 0.026 0.000 1.049 338 K CA 1.304 57.655 56.287 0.106 0.000 0.939 338 K CB -0.316 32.227 32.500 0.071 0.000 0.717 338 K HN 0.278 nan 8.250 nan 0.000 0.438 339 A N 1.714 124.488 122.820 -0.076 0.000 1.892 339 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 339 A C 2.395 179.869 177.584 -0.182 0.000 1.188 339 A CA 2.261 54.215 52.037 -0.138 0.000 0.631 339 A CB -0.953 17.921 19.000 -0.210 0.000 0.822 339 A HN 0.364 nan 8.150 nan 0.000 0.447 340 A N -1.849 120.788 122.820 -0.305 0.000 1.877 340 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 340 A C 2.181 179.486 177.584 -0.465 0.000 1.186 340 A CA 1.759 53.453 52.037 -0.572 0.000 0.620 340 A CB -0.838 17.494 19.000 -1.112 0.000 0.822 340 A HN 0.686 nan 8.150 nan 0.000 0.443 341 Y N 1.447 121.555 120.300 -0.321 0.000 2.181 341 Y HA -0.208 4.342 4.550 -0.000 0.000 0.288 341 Y C 2.046 178.022 175.900 0.125 0.000 1.146 341 Y CA 1.708 59.910 58.100 0.169 0.000 1.164 341 Y CB -0.872 37.796 38.460 0.346 0.000 0.982 341 Y HN 0.499 nan 8.280 nan 0.000 0.515 342 N N -0.686 118.015 118.700 0.002 0.000 2.244 342 N HA -0.213 4.527 4.740 -0.000 0.000 0.183 342 N C 1.729 177.207 175.510 -0.053 0.000 1.016 342 N CA 0.854 53.853 53.050 -0.085 0.000 0.866 342 N CB -0.188 38.260 38.487 -0.065 0.000 0.980 342 N HN 0.277 nan 8.380 nan 0.000 0.430 343 Q N 1.272 121.045 119.800 -0.045 0.000 2.119 343 Q HA -0.052 4.288 4.340 -0.000 0.000 0.201 343 Q C 1.806 177.818 176.000 0.020 0.000 0.972 343 Q CA 1.209 56.995 55.803 -0.029 0.000 0.847 343 Q CB -0.131 28.572 28.738 -0.058 0.000 0.903 343 Q HN 0.166 nan 8.270 nan 0.000 0.433 344 V N 0.597 120.558 119.914 0.077 0.000 2.343 344 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 344 V C 2.142 178.321 176.094 0.141 0.000 1.051 344 V CA 2.129 64.535 62.300 0.177 0.000 1.036 344 V CB -0.612 31.439 31.823 0.380 0.000 0.654 344 V HN 0.309 nan 8.190 nan 0.000 0.451 345 K N 0.282 120.718 120.400 0.060 0.000 2.074 345 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 345 K C 2.221 178.815 176.600 -0.011 0.000 1.048 345 K CA 2.078 58.351 56.287 -0.025 0.000 0.926 345 K CB -0.548 31.856 32.500 -0.160 0.000 0.713 345 K HN 0.534 nan 8.250 nan 0.000 0.444 346 T N 1.104 115.652 114.554 -0.010 0.000 2.759 346 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 346 T C 1.844 176.546 174.700 0.004 0.000 1.042 346 T CA 1.253 63.349 62.100 -0.007 0.000 1.140 346 T CB -0.174 68.688 68.868 -0.010 0.000 0.864 346 T HN 0.131 nan 8.240 nan 0.000 0.455 347 I N 1.180 121.762 120.570 0.019 0.000 2.333 347 I HA -0.037 4.133 4.170 -0.000 0.000 0.246 347 I C 2.836 178.960 176.117 0.011 0.000 1.106 347 I CA 0.813 62.123 61.300 0.016 0.000 1.411 347 I CB -0.397 37.618 38.000 0.025 0.000 1.082 347 I HN 0.163 nan 8.210 nan 0.000 0.420 348 A N 0.009 122.849 122.820 0.034 0.000 1.940 348 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 348 A C 2.196 179.785 177.584 0.008 0.000 1.176 348 A CA 1.566 53.621 52.037 0.030 0.000 0.631 348 A CB -0.589 18.452 19.000 0.068 0.000 0.814 348 A HN 0.476 nan 8.150 nan 0.000 0.446 349 Q N -1.887 117.914 119.800 0.002 0.000 2.515 349 Q HA 0.226 4.566 4.340 -0.000 0.000 0.212 349 Q C 1.163 177.158 176.000 -0.008 0.000 0.970 349 Q CA 0.545 56.344 55.803 -0.006 0.000 0.941 349 Q CB 0.025 28.756 28.738 -0.012 0.000 0.998 349 Q HN 0.908 nan 8.270 nan 0.000 0.518 350 G N 0.693 109.487 108.800 -0.009 0.000 2.179 350 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 350 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 350 G C -0.375 174.518 174.900 -0.012 0.000 0.990 350 G CA -0.279 44.813 45.100 -0.013 0.000 0.646 350 G HN 0.362 nan 8.290 nan 0.000 0.517 351 N N 0.461 119.156 118.700 -0.008 0.000 2.605 351 N HA 0.547 5.287 4.740 -0.000 0.000 0.258 351 N C -0.609 174.898 175.510 -0.005 0.000 1.156 351 N CA 0.092 53.138 53.050 -0.007 0.000 1.008 351 N CB 1.002 39.486 38.487 -0.005 0.000 1.354 351 N HN 0.414 nan 8.380 nan 0.000 0.509 352 L N 1.430 122.648 121.223 -0.008 0.000 2.596 352 L HA 0.336 4.676 4.340 -0.000 0.000 0.265 352 L C -0.290 176.574 176.870 -0.010 0.000 0.962 352 L CA -0.539 54.296 54.840 -0.008 0.000 0.891 352 L CB 1.317 43.368 42.059 -0.015 0.000 1.248 352 L HN 0.358 nan 8.230 nan 0.000 0.410 353 S N 2.925 118.621 115.700 -0.007 0.000 2.585 353 S HA 0.153 4.623 4.470 -0.000 0.000 0.273 353 S C 1.017 175.610 174.600 -0.010 0.000 1.339 353 S CA 0.208 58.403 58.200 -0.008 0.000 1.028 353 S CB 0.769 63.966 63.200 -0.005 0.000 0.906 353 S HN 0.844 nan 8.310 nan 0.000 0.528 354 N N 2.530 121.223 118.700 -0.012 0.000 2.104 354 N HA -0.065 4.675 4.740 -0.000 0.000 0.190 354 N C -1.068 174.435 175.510 -0.012 0.000 1.024 354 N CA 1.480 54.522 53.050 -0.014 0.000 0.853 354 N CB -1.361 37.117 38.487 -0.015 0.000 1.008 354 N HN 0.485 nan 8.380 nan 0.000 0.424 355 P HA -0.114 nan 4.420 nan 0.000 0.217 355 P C 0.702 177.997 177.300 -0.007 0.000 1.151 355 P CA 1.276 64.370 63.100 -0.009 0.000 0.849 355 P CB -0.104 31.591 31.700 -0.008 0.000 0.787 356 D N -1.083 119.315 120.400 -0.004 0.000 2.097 356 D HA -0.102 4.538 4.640 -0.000 0.000 0.195 356 D C 2.034 178.336 176.300 0.004 0.000 0.989 356 D CA 1.050 55.051 54.000 0.002 0.000 0.827 356 D CB -0.886 39.918 40.800 0.006 0.000 0.966 356 D HN 0.001 nan 8.370 nan 0.000 0.456 357 V N 0.775 120.687 119.914 -0.004 0.000 2.343 357 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 357 V C 2.498 178.585 176.094 -0.010 0.000 1.051 357 V CA 1.509 63.804 62.300 -0.008 0.000 1.036 357 V CB -0.525 31.285 31.823 -0.021 0.000 0.654 357 V HN 0.084 nan 8.190 nan 0.000 0.451 358 Q N 0.402 120.194 119.800 -0.013 0.000 2.079 358 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 358 Q C 2.197 178.188 176.000 -0.017 0.000 0.974 358 Q CA 2.018 57.811 55.803 -0.016 0.000 0.840 358 Q CB -0.669 28.059 28.738 -0.016 0.000 0.898 358 Q HN 0.599 nan 8.270 nan 0.000 0.430 359 A N 0.158 122.970 122.820 -0.013 0.000 1.877 359 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 359 A C 2.264 179.844 177.584 -0.008 0.000 1.186 359 A CA 1.986 54.013 52.037 -0.017 0.000 0.620 359 A CB -1.169 17.819 19.000 -0.019 0.000 0.822 359 A HN 0.474 nan 8.150 nan 0.000 0.443 360 A N -0.428 122.403 122.820 0.018 0.000 1.933 360 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 360 A C 2.097 179.678 177.584 -0.006 0.000 1.175 360 A CA 1.897 53.970 52.037 0.061 0.000 0.628 360 A CB -0.396 18.659 19.000 0.091 0.000 0.814 360 A HN 0.539 nan 8.150 nan 0.000 0.444 361 K N -0.147 120.238 120.400 -0.025 0.000 2.097 361 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 361 K C 1.784 178.347 176.600 -0.062 0.000 1.050 361 K CA 1.598 57.854 56.287 -0.052 0.000 0.938 361 K CB -0.269 32.208 32.500 -0.039 0.000 0.718 361 K HN 0.639 nan 8.250 nan 0.000 0.442 362 N N 0.448 119.122 118.700 -0.043 0.000 2.166 362 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 362 N C 1.491 176.979 175.510 -0.038 0.000 1.019 362 N CA 1.011 54.040 53.050 -0.034 0.000 0.856 362 N CB 0.065 38.537 38.487 -0.025 0.000 0.993 362 N HN 0.124 nan 8.380 nan 0.000 0.426 363 K N 0.525 120.893 120.400 -0.052 0.000 2.057 363 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 363 K C 1.915 178.389 176.600 -0.210 0.000 1.050 363 K CA 0.659 56.932 56.287 -0.023 0.000 0.935 363 K CB -0.189 32.380 32.500 0.116 0.000 0.715 363 K HN 0.051 nan 8.250 nan 0.000 0.439 364 L N 2.172 123.120 121.223 -0.458 0.000 1.989 364 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 364 L C 1.896 178.702 176.870 -0.108 0.000 1.071 364 L CA 1.881 56.463 54.840 -0.430 0.000 0.749 364 L CB -0.291 41.565 42.059 -0.339 0.000 0.890 364 L HN 0.038 nan 8.230 nan 0.000 0.431 365 K N -1.009 119.356 120.400 -0.058 0.000 2.026 365 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 365 K C 2.028 178.670 176.600 0.070 0.000 1.048 365 K CA 1.338 57.639 56.287 0.024 0.000 0.929 365 K CB -0.358 32.143 32.500 0.002 0.000 0.713 365 K HN 0.462 nan 8.250 nan 0.000 0.439 366 A N 1.120 123.962 122.820 0.038 0.000 1.930 366 A HA -0.068 4.251 4.320 -0.000 0.000 0.217 366 A C 2.397 180.016 177.584 0.058 0.000 1.175 366 A CA 1.835 53.901 52.037 0.049 0.000 0.627 366 A CB -1.038 17.992 19.000 0.049 0.000 0.815 366 A HN 0.427 nan 8.150 nan 0.000 0.443 367 G N -1.773 107.065 108.800 0.063 0.000 2.422 367 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 367 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 367 G C 1.550 176.500 174.900 0.083 0.000 1.146 367 G CA 1.284 46.429 45.100 0.075 0.000 0.769 367 G HN 0.568 nan 8.290 nan 0.000 0.547 368 Y N 1.027 121.330 120.300 0.006 0.000 2.184 368 Y HA 0.090 4.640 4.550 -0.000 0.000 0.290 368 Y C 2.585 178.508 175.900 0.038 0.000 1.129 368 Y CA 1.106 59.218 58.100 0.020 0.000 1.144 368 Y CB -0.287 38.175 38.460 0.004 0.000 0.995 368 Y HN 0.080 nan 8.280 nan 0.000 0.513 369 L N -0.557 120.653 121.223 -0.020 0.000 2.131 369 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 369 L C 2.431 179.252 176.870 -0.082 0.000 1.092 369 L CA 1.626 56.431 54.840 -0.058 0.000 0.759 369 L CB -0.479 41.608 42.059 0.047 0.000 0.903 369 L HN 0.344 nan 8.230 nan 0.000 0.435 370 M N -1.205 118.365 119.600 -0.050 0.000 2.200 370 M HA -0.170 4.310 4.480 -0.000 0.000 0.265 370 M C 2.552 178.816 176.300 -0.060 0.000 1.066 370 M CA 1.515 56.792 55.300 -0.038 0.000 1.127 370 M CB -0.245 32.349 32.600 -0.010 0.000 1.379 370 M HN 0.191 nan 8.290 nan 0.000 0.420 371 S N 0.344 115.985 115.700 -0.098 0.000 2.419 371 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 371 S C 1.440 175.970 174.600 -0.117 0.000 1.019 371 S CA 1.440 59.577 58.200 -0.106 0.000 0.982 371 S CB -0.342 62.785 63.200 -0.121 0.000 0.789 371 S HN 0.436 nan 8.310 nan 0.000 0.490 372 V N -1.852 117.965 119.914 -0.160 0.000 3.376 372 V HA 0.455 4.575 4.120 -0.000 0.000 0.313 372 V C 1.515 177.622 176.094 0.021 0.000 1.393 372 V CA 0.157 62.436 62.300 -0.034 0.000 1.125 372 V CB -0.354 31.443 31.823 -0.043 0.000 1.037 372 V HN 0.295 nan 8.190 nan 0.000 0.440 373 E N 2.192 122.380 120.200 -0.019 0.000 2.028 373 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 373 E C 1.415 178.007 176.600 -0.015 0.000 0.988 373 E CA 1.357 57.741 56.400 -0.026 0.000 0.799 373 E CB 0.012 29.698 29.700 -0.024 0.000 0.755 373 E HN 0.853 nan 8.360 nan 0.000 0.447 374 S N -0.452 115.256 115.700 0.013 0.000 2.592 374 S HA 0.121 4.591 4.470 -0.000 0.000 0.271 374 S C 1.065 175.708 174.600 0.071 0.000 1.326 374 S CA -0.334 57.883 58.200 0.028 0.000 1.024 374 S CB 1.824 65.042 63.200 0.030 0.000 0.921 374 S HN 0.026 nan 8.310 nan 0.000 0.527 375 S N 1.003 116.743 115.700 0.066 0.000 2.380 375 S HA -0.242 4.228 4.470 -0.000 0.000 0.229 375 S C 1.770 176.460 174.600 0.150 0.000 1.043 375 S CA 1.872 60.142 58.200 0.118 0.000 1.038 375 S CB -0.673 62.573 63.200 0.076 0.000 0.872 375 S HN 0.924 nan 8.310 nan 0.000 0.456 376 E N 0.454 120.714 120.200 0.101 0.000 2.058 376 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 376 E C 2.214 178.877 176.600 0.105 0.000 0.997 376 E CA 1.261 57.716 56.400 0.091 0.000 0.801 376 E CB -0.491 29.244 29.700 0.057 0.000 0.746 376 E HN 0.510 nan 8.360 nan 0.000 0.450 377 G N -0.117 108.740 108.800 0.095 0.000 2.403 377 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 377 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 377 G C 1.335 176.294 174.900 0.099 0.000 1.154 377 G CA 0.451 45.597 45.100 0.076 0.000 0.784 377 G HN 0.348 nan 8.290 nan 0.000 0.538 378 F N 0.924 120.866 119.950 -0.012 0.000 2.102 378 F HA 0.040 4.567 4.527 -0.000 0.000 0.298 378 F C 2.291 178.094 175.800 0.005 0.000 1.105 378 F CA 1.247 59.239 58.000 -0.013 0.000 1.239 378 F CB -0.257 38.730 39.000 -0.021 0.000 0.991 378 F HN 0.099 nan 8.300 nan 0.000 0.474 379 L N 0.335 121.574 121.223 0.026 0.000 2.056 379 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 379 L C 2.068 178.942 176.870 0.007 0.000 1.078 379 L CA 2.213 57.046 54.840 -0.010 0.000 0.749 379 L CB -0.797 41.363 42.059 0.168 0.000 0.901 379 L HN 0.200 nan 8.230 nan 0.000 0.433 380 D N -0.865 119.614 120.400 0.131 0.000 2.117 380 D HA -0.259 4.381 4.640 -0.000 0.000 0.197 380 D C 2.059 178.320 176.300 -0.066 0.000 0.987 380 D CA 1.232 55.347 54.000 0.191 0.000 0.829 380 D CB 0.061 40.980 40.800 0.199 0.000 0.961 380 D HN 0.346 nan 8.370 nan 0.000 0.460 381 E N -0.128 120.018 120.200 -0.090 0.000 2.058 381 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 381 E C 2.126 178.613 176.600 -0.189 0.000 0.997 381 E CA 1.190 57.534 56.400 -0.092 0.000 0.801 381 E CB -0.472 29.204 29.700 -0.040 0.000 0.746 381 E HN 0.207 nan 8.360 nan 0.000 0.450 382 V N 0.223 119.908 119.914 -0.381 0.000 2.407 382 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 382 V C 2.271 178.104 176.094 -0.434 0.000 1.055 382 V CA 1.878 63.939 62.300 -0.397 0.000 1.049 382 V CB -1.094 30.319 31.823 -0.683 0.000 0.662 382 V HN 0.480 nan 8.190 nan 0.000 0.455 383 G N -0.208 108.077 108.800 -0.858 0.000 2.433 383 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 383 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 383 G C 1.823 176.189 174.900 -0.890 0.000 1.186 383 G CA 1.145 45.255 45.100 -1.651 0.000 0.779 383 G HN 0.532 nan 8.290 nan 0.000 0.543 384 S N 0.495 115.877 115.700 -0.530 0.000 2.359 384 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 384 S C 2.272 176.829 174.600 -0.073 0.000 1.035 384 S CA 1.397 59.512 58.200 -0.142 0.000 1.018 384 S CB -0.443 62.741 63.200 -0.026 0.000 0.876 384 S HN 0.475 nan 8.310 nan 0.000 0.448 385 Q N 0.749 120.507 119.800 -0.069 0.000 2.096 385 Q HA -0.212 4.128 4.340 -0.000 0.000 0.208 385 Q C 2.539 178.562 176.000 0.039 0.000 0.993 385 Q CA 1.693 57.496 55.803 -0.000 0.000 0.862 385 Q CB -0.452 28.311 28.738 0.041 0.000 0.915 385 Q HN 0.642 nan 8.270 nan 0.000 0.416 386 A N 0.185 123.026 122.820 0.035 0.000 1.933 386 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 386 A C 1.933 179.562 177.584 0.076 0.000 1.175 386 A CA 1.038 53.149 52.037 0.123 0.000 0.628 386 A CB -0.338 18.688 19.000 0.042 0.000 0.814 386 A HN 0.232 nan 8.150 nan 0.000 0.444 387 L N -0.726 120.511 121.223 0.023 0.000 2.044 387 L HA 0.011 4.351 4.340 -0.000 0.000 0.205 387 L C 2.906 179.817 176.870 0.067 0.000 1.075 387 L CA 1.926 56.797 54.840 0.053 0.000 0.747 387 L CB -1.223 40.878 42.059 0.069 0.000 0.903 387 L HN 0.386 nan 8.230 nan 0.000 0.435 388 A N -1.443 121.411 122.820 0.057 0.000 1.898 388 A HA 0.146 4.466 4.320 -0.000 0.000 0.214 388 A C 2.220 179.834 177.584 0.050 0.000 1.183 388 A CA 1.532 53.605 52.037 0.058 0.000 0.622 388 A CB -0.503 18.525 19.000 0.046 0.000 0.824 388 A HN 0.363 nan 8.150 nan 0.000 0.444 389 A N -2.808 120.038 122.820 0.044 0.000 2.127 389 A HA 0.456 4.776 4.320 -0.000 0.000 0.204 389 A C 1.749 179.363 177.584 0.050 0.000 1.243 389 A CA 1.156 53.211 52.037 0.029 0.000 0.887 389 A CB -0.329 18.667 19.000 -0.006 0.000 0.933 389 A HN 1.878 nan 8.150 nan 0.000 0.479 390 G N -0.082 108.782 108.800 0.105 0.000 2.147 390 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.244 390 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.244 390 G C 0.240 175.284 174.900 0.241 0.000 1.005 390 G CA 1.037 46.251 45.100 0.190 0.000 0.713 390 G HN 1.909 nan 8.290 nan 0.000 0.515 391 S N -1.609 114.125 115.700 0.058 0.000 2.607 391 S HA 0.681 5.151 4.470 -0.000 0.000 0.273 391 S C -0.936 173.426 174.600 -0.397 0.000 1.148 391 S CA -0.840 57.095 58.200 -0.441 0.000 0.833 391 S CB 2.238 65.259 63.200 -0.298 0.000 1.130 391 S HN 1.313 nan 8.310 nan 0.000 0.470 392 Y N 1.180 120.981 120.300 -0.832 0.000 2.328 392 Y HA 0.569 5.119 4.550 -0.000 0.000 0.337 392 Y C -0.524 175.233 175.900 -0.240 0.000 1.008 392 Y CA -0.212 57.672 58.100 -0.360 0.000 1.129 392 Y CB 1.647 39.973 38.460 -0.222 0.000 1.185 392 Y HN 0.794 nan 8.280 nan 0.000 0.476 393 T N 9.276 123.357 114.554 -0.788 0.000 2.770 393 T HA 0.308 4.658 4.350 -0.000 0.000 0.297 393 T C -2.637 171.492 174.700 -0.953 0.000 0.997 393 T CA -1.479 60.234 62.100 -0.645 0.000 0.949 393 T CB 0.893 69.556 68.868 -0.341 0.000 0.941 393 T HN 0.446 nan 8.240 nan 0.000 0.457 394 P HA 0.139 nan 4.420 nan 0.000 0.269 394 P C -1.949 175.287 177.300 -0.107 0.000 1.217 394 P CA -1.407 61.467 63.100 -0.376 0.000 0.783 394 P CB 0.140 31.771 31.700 -0.115 0.000 0.898 395 P HA -0.207 nan 4.420 nan 0.000 0.216 395 P C 1.649 178.989 177.300 0.066 0.000 1.150 395 P CA 2.027 65.233 63.100 0.177 0.000 0.843 395 P CB -0.356 31.467 31.700 0.205 0.000 0.787 396 S N -2.114 113.602 115.700 0.027 0.000 2.447 396 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 396 S C 2.004 176.582 174.600 -0.037 0.000 1.006 396 S CA 1.749 59.949 58.200 -0.001 0.000 0.957 396 S CB -1.633 61.569 63.200 0.004 0.000 0.773 396 S HN 0.230 nan 8.310 nan 0.000 0.507 397 T N 0.392 114.905 114.554 -0.069 0.000 3.044 397 T HA 0.132 4.482 4.350 -0.000 0.000 0.255 397 T C 1.692 176.315 174.700 -0.129 0.000 1.073 397 T CA 0.822 62.863 62.100 -0.098 0.000 1.125 397 T CB -0.506 68.296 68.868 -0.111 0.000 0.908 397 T HN 0.220 nan 8.240 nan 0.000 0.480 398 V N 2.272 122.087 119.914 -0.164 0.000 2.282 398 V HA -0.126 3.994 4.120 -0.000 0.000 0.249 398 V C 2.751 178.728 176.094 -0.195 0.000 1.057 398 V CA 1.770 63.919 62.300 -0.253 0.000 1.032 398 V CB -0.737 30.805 31.823 -0.469 0.000 0.645 398 V HN 0.496 nan 8.190 nan 0.000 0.447 399 L N -0.413 120.743 121.223 -0.112 0.000 2.093 399 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 399 L C 2.624 179.455 176.870 -0.065 0.000 1.085 399 L CA 2.011 56.810 54.840 -0.068 0.000 0.755 399 L CB -0.673 41.376 42.059 -0.018 0.000 0.904 399 L HN 0.479 nan 8.230 nan 0.000 0.435 400 Q N 0.205 119.966 119.800 -0.066 0.000 2.050 400 Q HA -0.261 4.079 4.340 -0.000 0.000 0.202 400 Q C 2.197 178.157 176.000 -0.068 0.000 0.980 400 Q CA 1.653 57.420 55.803 -0.059 0.000 0.840 400 Q CB 0.046 28.750 28.738 -0.056 0.000 0.898 400 Q HN 0.473 nan 8.270 nan 0.000 0.424 401 Q N 0.133 119.881 119.800 -0.087 0.000 2.096 401 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 401 Q C 2.058 178.007 176.000 -0.085 0.000 0.982 401 Q CA 1.802 57.551 55.803 -0.089 0.000 0.850 401 Q CB -0.093 28.578 28.738 -0.112 0.000 0.901 401 Q HN 0.459 nan 8.270 nan 0.000 0.422 402 I N 0.765 121.277 120.570 -0.097 0.000 2.163 402 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 402 I C 1.674 177.753 176.117 -0.063 0.000 1.085 402 I CA 1.161 62.410 61.300 -0.084 0.000 1.347 402 I CB -0.225 37.718 38.000 -0.094 0.000 1.044 402 I HN 0.169 nan 8.210 nan 0.000 0.408 403 D N 0.830 121.196 120.400 -0.057 0.000 2.178 403 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 403 D C 2.177 178.451 176.300 -0.043 0.000 0.980 403 D CA 1.486 55.459 54.000 -0.045 0.000 0.842 403 D CB -0.086 40.690 40.800 -0.039 0.000 0.948 403 D HN 0.381 nan 8.370 nan 0.000 0.472 404 A N 0.414 123.206 122.820 -0.047 0.000 2.168 404 A HA -0.003 4.317 4.320 -0.000 0.000 0.215 404 A C 1.142 178.699 177.584 -0.045 0.000 1.152 404 A CA 0.103 52.115 52.037 -0.043 0.000 0.716 404 A CB -0.039 18.935 19.000 -0.044 0.000 0.794 404 A HN 0.053 nan 8.150 nan 0.000 0.465 405 V N 1.576 121.460 119.914 -0.050 0.000 2.409 405 V HA 0.302 4.422 4.120 -0.000 0.000 0.270 405 V C 0.984 177.046 176.094 -0.052 0.000 1.019 405 V CA -0.170 62.097 62.300 -0.056 0.000 1.066 405 V CB -0.677 31.108 31.823 -0.063 0.000 1.021 405 V HN 0.509 nan 8.190 nan 0.000 0.476 406 A N 3.934 126.723 122.820 -0.052 0.000 2.366 406 A HA 0.280 4.600 4.320 -0.000 0.000 0.249 406 A C 1.179 178.730 177.584 -0.056 0.000 1.084 406 A CA -0.367 51.642 52.037 -0.048 0.000 0.794 406 A CB 0.120 19.094 19.000 -0.042 0.000 1.034 406 A HN 0.812 nan 8.150 nan 0.000 0.491 407 D N 0.985 121.356 120.400 -0.048 0.000 2.133 407 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 407 D C 2.100 178.363 176.300 -0.061 0.000 0.997 407 D CA 2.243 56.213 54.000 -0.050 0.000 0.840 407 D CB -0.298 40.480 40.800 -0.037 0.000 0.947 407 D HN 0.639 nan 8.370 nan 0.000 0.452 408 A N 0.950 123.736 122.820 -0.056 0.000 1.933 408 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 408 A C 1.750 179.285 177.584 -0.082 0.000 1.175 408 A CA 1.726 53.728 52.037 -0.059 0.000 0.628 408 A CB -0.372 18.601 19.000 -0.045 0.000 0.814 408 A HN 0.099 nan 8.150 nan 0.000 0.444 409 D N 0.005 120.349 120.400 -0.093 0.000 2.117 409 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 409 D C 2.100 178.280 176.300 -0.201 0.000 0.987 409 D CA 1.599 55.522 54.000 -0.128 0.000 0.829 409 D CB -0.569 40.165 40.800 -0.111 0.000 0.961 409 D HN 0.264 nan 8.370 nan 0.000 0.460 410 V N 1.493 121.299 119.914 -0.180 0.000 2.343 410 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 410 V C 2.587 178.557 176.094 -0.208 0.000 1.051 410 V CA 1.153 63.323 62.300 -0.215 0.000 1.036 410 V CB -0.439 31.304 31.823 -0.134 0.000 0.654 410 V HN 0.138 nan 8.190 nan 0.000 0.451 411 I N 0.491 120.980 120.570 -0.135 0.000 2.142 411 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 411 I C 2.427 178.479 176.117 -0.108 0.000 1.078 411 I CA 1.625 62.868 61.300 -0.096 0.000 1.343 411 I CB -0.576 37.389 38.000 -0.059 0.000 1.046 411 I HN 0.327 nan 8.210 nan 0.000 0.405 412 N N 1.149 119.774 118.700 -0.124 0.000 2.104 412 N HA -0.185 4.555 4.740 -0.000 0.000 0.190 412 N C 1.859 177.259 175.510 -0.183 0.000 1.024 412 N CA 1.717 54.697 53.050 -0.118 0.000 0.853 412 N CB -0.556 37.873 38.487 -0.097 0.000 1.008 412 N HN 0.407 nan 8.380 nan 0.000 0.424 413 A N 0.882 123.457 122.820 -0.408 0.000 1.877 413 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 413 A C 2.363 179.672 177.584 -0.459 0.000 1.186 413 A CA 2.043 53.545 52.037 -0.891 0.000 0.620 413 A CB -0.945 17.074 19.000 -1.635 0.000 0.822 413 A HN 0.324 nan 8.150 nan 0.000 0.443 414 A N -0.510 122.153 122.820 -0.260 0.000 1.933 414 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 414 A C 2.122 179.810 177.584 0.173 0.000 1.175 414 A CA 1.747 53.802 52.037 0.030 0.000 0.628 414 A CB -0.394 18.613 19.000 0.013 0.000 0.814 414 A HN 0.503 nan 8.150 nan 0.000 0.444 415 K N -0.497 119.946 120.400 0.071 0.000 2.097 415 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 415 K C 2.121 178.796 176.600 0.126 0.000 1.050 415 K CA 1.378 57.716 56.287 0.085 0.000 0.938 415 K CB -0.129 32.388 32.500 0.029 0.000 0.718 415 K HN 0.458 nan 8.250 nan 0.000 0.442 416 K N 0.198 120.692 120.400 0.156 0.000 2.097 416 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 416 K C 2.021 178.787 176.600 0.277 0.000 1.050 416 K CA 0.865 57.278 56.287 0.210 0.000 0.938 416 K CB -0.110 32.562 32.500 0.288 0.000 0.718 416 K HN -0.003 nan 8.250 nan 0.000 0.442 417 F N 1.229 121.344 119.950 0.275 0.000 2.075 417 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 417 F C 1.817 177.785 175.800 0.279 0.000 1.113 417 F CA 1.350 59.544 58.000 0.323 0.000 1.218 417 F CB -0.496 38.797 39.000 0.488 0.000 0.984 417 F HN -0.244 nan 8.300 nan 0.000 0.472 418 V N 0.334 120.338 119.914 0.150 0.000 2.343 418 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 418 V C 2.532 178.635 176.094 0.015 0.000 1.051 418 V CA 2.148 64.497 62.300 0.082 0.000 1.036 418 V CB -1.123 30.781 31.823 0.134 0.000 0.654 418 V HN 0.586 nan 8.190 nan 0.000 0.451 419 S N 0.031 115.748 115.700 0.028 0.000 2.527 419 S HA 0.145 4.614 4.470 -0.000 0.000 0.222 419 S C 1.204 175.800 174.600 -0.007 0.000 0.985 419 S CA 0.395 58.604 58.200 0.016 0.000 0.921 419 S CB -0.306 62.912 63.200 0.029 0.000 0.772 419 S HN 0.551 nan 8.310 nan 0.000 0.529 420 G N 1.291 110.071 108.800 -0.033 0.000 2.432 420 G HA2 0.442 4.402 3.960 -0.000 0.000 0.257 420 G HA3 0.442 4.402 3.960 -0.000 0.000 0.257 420 G C -0.364 174.499 174.900 -0.062 0.000 1.238 420 G CA -0.937 44.136 45.100 -0.045 0.000 0.838 420 G HN 0.412 nan 8.290 nan 0.000 0.547 421 R N 1.028 121.524 120.500 -0.006 0.000 2.504 421 R HA 0.074 4.414 4.340 -0.000 0.000 0.291 421 R C 0.407 176.742 176.300 0.058 0.000 0.974 421 R CA 0.587 56.706 56.100 0.032 0.000 1.077 421 R CB 0.189 30.552 30.300 0.106 0.000 0.926 421 R HN 0.441 nan 8.270 nan 0.000 0.407 422 K N 1.451 121.824 120.400 -0.045 0.000 2.098 422 K HA 0.316 4.636 4.320 -0.000 0.000 0.261 422 K C -0.768 175.777 176.600 -0.091 0.000 0.987 422 K CA -0.339 55.895 56.287 -0.090 0.000 0.916 422 K CB 1.702 34.073 32.500 -0.215 0.000 1.039 422 K HN 0.498 nan 8.250 nan 0.000 0.455 423 S N 1.940 117.588 115.700 -0.086 0.000 2.513 423 S HA 0.552 5.022 4.470 -0.000 0.000 0.299 423 S C -1.035 173.449 174.600 -0.193 0.000 1.087 423 S CA -0.807 57.293 58.200 -0.167 0.000 1.012 423 S CB 1.193 64.284 63.200 -0.182 0.000 1.044 423 S HN 0.536 nan 8.310 nan 0.000 0.485 424 M N 2.667 122.145 119.600 -0.203 0.000 2.386 424 M HA 0.708 5.188 4.480 -0.000 0.000 0.293 424 M C -1.772 174.406 176.300 -0.204 0.000 1.120 424 M CA -0.482 54.685 55.300 -0.223 0.000 0.909 424 M CB 1.757 34.231 32.600 -0.210 0.000 1.661 424 M HN 0.789 nan 8.290 nan 0.000 0.452 425 A N 3.095 125.778 122.820 -0.228 0.000 2.393 425 A HA 0.990 5.310 4.320 -0.000 0.000 0.306 425 A C -1.542 175.907 177.584 -0.224 0.000 1.050 425 A CA -0.501 51.414 52.037 -0.204 0.000 0.724 425 A CB 1.573 20.465 19.000 -0.179 0.000 1.248 425 A HN 0.985 nan 8.150 nan 0.000 0.424 426 A N 1.345 124.053 122.820 -0.188 0.000 2.455 426 A HA 0.835 5.155 4.320 -0.000 0.000 0.300 426 A C -0.301 177.216 177.584 -0.111 0.000 1.040 426 A CA 0.107 52.044 52.037 -0.167 0.000 0.697 426 A CB 1.312 20.201 19.000 -0.185 0.000 1.265 426 A HN 2.125 nan 8.150 nan 0.000 0.407 427 S N 1.143 116.806 115.700 -0.061 0.000 2.526 427 S HA 0.979 5.449 4.470 -0.000 0.000 0.293 427 S C 0.070 174.679 174.600 0.016 0.000 1.092 427 S CA 0.046 58.237 58.200 -0.016 0.000 0.980 427 S CB 1.591 64.797 63.200 0.011 0.000 1.048 427 S HN 2.708 nan 8.310 nan 0.000 0.483 428 G N 1.767 110.575 108.800 0.012 0.000 2.320 428 G HA2 0.082 4.042 3.960 -0.000 0.000 0.274 428 G HA3 0.082 4.042 3.960 -0.000 0.000 0.274 428 G C -1.603 173.303 174.900 0.010 0.000 1.324 428 G CA -1.022 44.094 45.100 0.028 0.000 0.957 428 G HN 0.809 nan 8.290 nan 0.000 0.481 429 N N 1.026 119.737 118.700 0.019 0.000 2.405 429 N HA 0.320 5.060 4.740 -0.000 0.000 0.260 429 N C 1.195 176.709 175.510 0.007 0.000 1.152 429 N CA -0.138 52.922 53.050 0.017 0.000 0.948 429 N CB 0.412 38.919 38.487 0.034 0.000 1.111 429 N HN 0.441 nan 8.380 nan 0.000 0.485 430 L N 1.968 123.175 121.223 -0.026 0.000 2.667 430 L HA 0.254 4.594 4.340 -0.000 0.000 0.232 430 L C 2.034 178.846 176.870 -0.097 0.000 1.138 430 L CA -0.169 54.624 54.840 -0.078 0.000 0.921 430 L CB 0.148 42.127 42.059 -0.134 0.000 1.180 430 L HN 0.527 nan 8.230 nan 0.000 0.487 431 G N -0.528 108.236 108.800 -0.060 0.000 2.516 431 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.221 431 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.221 431 G C 0.874 175.544 174.900 -0.383 0.000 1.107 431 G CA 0.810 45.815 45.100 -0.158 0.000 0.747 431 G HN 0.510 nan 8.290 nan 0.000 0.567 432 H N -1.580 117.467 119.070 -0.038 0.000 2.916 432 H HA 0.259 4.815 4.556 -0.000 0.000 0.262 432 H C -0.102 175.192 175.328 -0.057 0.000 1.178 432 H CA -0.229 55.800 56.048 -0.032 0.000 1.090 432 H CB 0.857 30.607 29.762 -0.021 0.000 1.657 432 H HN 0.070 nan 8.280 nan 0.000 0.601 433 T N 4.578 119.106 114.554 -0.042 0.000 2.728 433 T HA 0.198 4.548 4.350 -0.000 0.000 0.296 433 T C -2.225 172.360 174.700 -0.192 0.000 0.940 433 T CA -1.387 60.647 62.100 -0.111 0.000 1.013 433 T CB 1.583 70.358 68.868 -0.155 0.000 0.912 433 T HN 0.145 nan 8.240 nan 0.000 0.484 434 P HA 0.314 nan 4.420 nan 0.000 0.277 434 P C -0.506 176.727 177.300 -0.112 0.000 1.276 434 P CA -0.553 62.517 63.100 -0.051 0.000 0.788 434 P CB 0.771 32.489 31.700 0.028 0.000 1.114 435 F N -0.739 119.181 119.950 -0.050 0.000 2.881 435 F HA 0.289 4.816 4.527 -0.000 0.000 0.343 435 F C 1.555 177.309 175.800 -0.078 0.000 1.233 435 F CA -0.092 57.870 58.000 -0.064 0.000 1.262 435 F CB -0.530 38.439 39.000 -0.053 0.000 0.980 435 F HN 0.187 nan 8.300 nan 0.000 0.506 436 I N -1.585 119.022 120.570 0.061 0.000 4.672 436 I HA -0.612 3.558 4.170 -0.000 0.000 0.049 436 I C 1.902 178.027 176.117 0.013 0.000 0.624 436 I CA 1.765 63.054 61.300 -0.018 0.000 0.742 436 I CB -0.905 37.060 38.000 -0.059 0.000 0.689 436 I HN 0.086 nan 8.210 nan 0.000 0.160 437 D N 0.619 121.037 120.400 0.031 0.000 4.228 437 D HA -0.259 4.381 4.640 -0.000 0.000 0.194 437 D C 1.577 177.905 176.300 0.046 0.000 1.356 437 D CA 2.511 56.527 54.000 0.026 0.000 0.871 437 D CB -0.228 40.574 40.800 0.003 0.000 0.889 437 D HN 0.709 nan 8.370 nan 0.000 0.585 438 E N -1.080 119.168 120.200 0.079 0.000 2.501 438 E HA 0.219 4.569 4.350 -0.000 0.000 0.200 438 E C 0.342 176.997 176.600 0.093 0.000 1.016 438 E CA -0.263 56.189 56.400 0.086 0.000 0.921 438 E CB 0.748 30.520 29.700 0.120 0.000 1.034 438 E HN 0.264 nan 8.360 nan 0.000 0.468 439 L N 0.000 121.284 121.223 0.102 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.943 54.840 0.172 0.000 0.813 439 L CB 0.000 42.111 42.059 0.086 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502