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 4gsa_1_B DATA FIRST_RESID 7 DATA SEQUENCE FKTIKSDEIF AAAQKLMPGG VSSPVRAFKS VGGQPIVFDR VKDAYAWDVD DATA SEQUENCE GNRYIDYVGT WGPAICGHAH PEVIEALKVA MEKGTSFGAP CALENVLAEM DATA SEQUENCE VNDAVPSIEM VRFVNSGTEA CMAVLRLMRA YTGRDKIIKF EGCYHGHADM DATA SEQUENCE FLVKAGSGVA TLGLPSSPGV PKKTTANTLT TPYNDLEAVK ALFAENPGEI DATA SEQUENCE AGVILEPIVG NSGFIVPDAG FLEGLREITL EHDALLVFDE VMTGFRIAYG DATA SEQUENCE GVQEKFGVTP DLTTLGKIIG GGLPVGAYGG KREIMQLVAP AGPMYQAGTL DATA SEQUENCE SGNPLAMTAG IKTLELLRQP GTYEYLDQIT KRLSDGLLAI AQETGHAACG DATA SEQUENCE GQVSGMFGFF FTEGPVHNYE DAKKSDLQKF SRFHRGMLEQ GIYLAPSQFE DATA SEQUENCE AGFTSLAHTE EDIDATLAAA RTVMSAL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 F HA 0.000 nan 4.527 nan 0.000 0.279 7 F C 0.000 175.821 175.800 0.036 0.000 0.967 7 F CA 0.000 58.011 58.000 0.019 0.000 1.383 7 F CB 0.000 39.017 39.000 0.029 0.000 1.145 8 K N 1.536 121.760 120.400 -0.293 0.000 2.138 8 K HA 0.796 6.049 4.320 1.556 0.000 0.263 8 K C -0.113 176.251 176.600 -0.394 0.000 0.965 8 K CA -0.081 56.044 56.287 -0.271 0.000 0.868 8 K CB 1.778 34.211 32.500 -0.112 0.000 1.083 8 K HN 0.401 nan 8.250 nan 0.000 0.443 9 T N 0.242 114.622 114.554 -0.289 0.000 3.393 9 T HA 0.199 5.482 4.350 1.556 0.000 0.298 9 T C 1.089 175.739 174.700 -0.084 0.000 1.004 9 T CA -0.517 61.454 62.100 -0.215 0.000 0.956 9 T CB -0.291 68.437 68.868 -0.233 0.000 1.182 9 T HN 0.492 nan 8.240 nan 0.000 0.497 10 I N 1.877 122.409 120.570 -0.063 0.000 2.113 10 I HA -0.182 4.922 4.170 1.556 0.000 0.242 10 I C 2.396 178.512 176.117 -0.002 0.000 1.064 10 I CA 1.520 62.807 61.300 -0.022 0.000 1.320 10 I CB -0.822 37.167 38.000 -0.018 0.000 1.028 10 I HN 0.299 nan 8.210 nan 0.000 0.406 11 K N 0.538 120.937 120.400 -0.002 0.000 2.057 11 K HA -0.023 5.230 4.320 1.556 0.000 0.206 11 K C 2.303 178.924 176.600 0.036 0.000 1.050 11 K CA 1.060 57.358 56.287 0.018 0.000 0.935 11 K CB -0.652 31.860 32.500 0.020 0.000 0.715 11 K HN 0.221 nan 8.250 nan 0.000 0.439 12 S N 1.831 117.548 115.700 0.028 0.000 2.370 12 S HA -0.146 5.257 4.470 1.556 0.000 0.226 12 S C 1.443 176.088 174.600 0.075 0.000 1.033 12 S CA 1.534 59.759 58.200 0.042 0.000 1.011 12 S CB -0.234 62.971 63.200 0.008 0.000 0.852 12 S HN 0.272 nan 8.310 nan 0.000 0.457 13 D N 1.270 121.706 120.400 0.060 0.000 2.117 13 D HA -0.138 5.435 4.640 1.556 0.000 0.197 13 D C 2.163 178.525 176.300 0.104 0.000 0.987 13 D CA 1.419 55.478 54.000 0.097 0.000 0.829 13 D CB -0.416 40.419 40.800 0.059 0.000 0.961 13 D HN 0.755 nan 8.370 nan 0.000 0.460 14 E N 0.514 120.753 120.200 0.066 0.000 2.107 14 E HA -0.085 5.199 4.350 1.556 0.000 0.191 14 E C 2.280 178.912 176.600 0.054 0.000 0.982 14 E CA 0.532 56.960 56.400 0.048 0.000 0.809 14 E CB -0.397 29.320 29.700 0.030 0.000 0.756 14 E HN 0.241 nan 8.360 nan 0.000 0.459 15 I N 0.341 120.957 120.570 0.077 0.000 2.202 15 I HA -0.190 4.913 4.170 1.556 0.000 0.242 15 I C 2.312 178.502 176.117 0.122 0.000 1.091 15 I CA 1.022 62.372 61.300 0.084 0.000 1.368 15 I CB -0.238 37.814 38.000 0.086 0.000 1.058 15 I HN 0.099 nan 8.210 nan 0.000 0.410 16 F N 1.765 121.712 119.950 -0.005 0.000 2.293 16 F HA -0.115 5.351 4.527 1.565 0.000 0.300 16 F C 2.335 178.134 175.800 -0.002 0.000 1.086 16 F CA 0.912 58.906 58.000 -0.009 0.000 1.375 16 F CB -0.385 38.601 39.000 -0.024 0.000 1.045 16 F HN -0.013 nan 8.300 nan 0.000 0.516 17 A N 0.464 123.248 122.820 -0.061 0.000 1.855 17 A HA -0.020 5.233 4.320 1.556 0.000 0.215 17 A C 2.476 179.971 177.584 -0.148 0.000 1.191 17 A CA 1.785 53.738 52.037 -0.140 0.000 0.613 17 A CB -1.570 17.411 19.000 -0.031 0.000 0.829 17 A HN 0.424 nan 8.150 nan 0.000 0.442 18 A N -0.151 122.624 122.820 -0.074 0.000 1.933 18 A HA 0.140 5.394 4.320 1.556 0.000 0.218 18 A C 2.487 180.021 177.584 -0.084 0.000 1.175 18 A CA 2.131 54.133 52.037 -0.058 0.000 0.628 18 A CB -1.028 17.959 19.000 -0.020 0.000 0.814 18 A HN 1.108 nan 8.150 nan 0.000 0.444 19 A N -0.524 122.235 122.820 -0.101 0.000 1.908 19 A HA -0.271 4.983 4.320 1.556 0.000 0.218 19 A C 2.074 179.562 177.584 -0.160 0.000 1.181 19 A CA 1.795 53.773 52.037 -0.098 0.000 0.627 19 A CB -0.654 18.324 19.000 -0.036 0.000 0.818 19 A HN 0.664 nan 8.150 nan 0.000 0.445 20 Q N -0.424 119.198 119.800 -0.296 0.000 2.234 20 Q HA -0.179 5.094 4.340 1.556 0.000 0.206 20 Q C 1.719 177.637 176.000 -0.136 0.000 0.980 20 Q CA 1.663 57.309 55.803 -0.261 0.000 0.869 20 Q CB -0.185 28.343 28.738 -0.350 0.000 0.912 20 Q HN 0.695 nan 8.270 nan 0.000 0.436 21 K N -0.489 119.846 120.400 -0.108 0.000 2.432 21 K HA -0.032 5.222 4.320 1.556 0.000 0.196 21 K C 1.185 177.757 176.600 -0.045 0.000 1.038 21 K CA 0.389 56.637 56.287 -0.065 0.000 0.986 21 K CB 0.367 32.835 32.500 -0.052 0.000 0.782 21 K HN 0.063 nan 8.250 nan 0.000 0.485 22 L N -0.325 120.871 121.223 -0.046 0.000 2.388 22 L HA 0.284 5.558 4.340 1.556 0.000 0.209 22 L C 0.609 177.468 176.870 -0.019 0.000 1.061 22 L CA 1.062 55.887 54.840 -0.026 0.000 0.834 22 L CB -0.176 41.873 42.059 -0.018 0.000 1.029 22 L HN 0.097 nan 8.230 nan 0.000 0.473 23 M N -0.628 118.957 119.600 -0.025 0.000 2.591 23 M HA 0.404 5.818 4.480 1.556 0.000 0.306 23 M C -2.320 173.971 176.300 -0.016 0.000 1.190 23 M CA -1.679 53.614 55.300 -0.011 0.000 0.889 23 M CB 1.871 34.474 32.600 0.005 0.000 1.728 23 M HN -0.300 nan 8.290 nan 0.000 0.458 24 P HA 0.059 nan 4.420 nan 0.000 0.254 24 P C 0.697 178.003 177.300 0.009 0.000 1.186 24 P CA 1.187 64.287 63.100 -0.001 0.000 0.868 24 P CB -0.102 31.600 31.700 0.003 0.000 0.856 25 G N 3.485 112.283 108.800 -0.004 0.000 2.162 25 G HA2 -0.191 4.703 3.960 1.556 0.000 0.260 25 G HA3 -0.191 4.703 3.960 1.556 0.000 0.260 25 G C 0.907 175.817 174.900 0.016 0.000 0.976 25 G CA 0.315 45.427 45.100 0.020 0.000 0.655 25 G HN 0.955 nan 8.290 nan 0.000 0.533 26 G N -2.426 106.350 108.800 -0.040 0.000 2.153 26 G HA2 0.123 5.016 3.960 1.556 0.000 0.252 26 G HA3 0.123 5.016 3.960 1.556 0.000 0.252 26 G C 0.894 175.890 174.900 0.161 0.000 0.994 26 G CA 1.697 46.764 45.100 -0.054 0.000 0.698 26 G HN 2.417 nan 8.290 nan 0.000 0.521 27 V N -4.894 115.105 119.914 0.142 0.000 3.181 27 V HA 0.914 5.968 4.120 1.556 0.000 0.308 27 V C 0.747 176.877 176.094 0.060 0.000 1.214 27 V CA 0.286 62.666 62.300 0.133 0.000 1.053 27 V CB 1.479 33.393 31.823 0.151 0.000 1.069 27 V HN 0.242 nan 8.190 nan 0.000 0.441 28 S N 0.227 115.951 115.700 0.040 0.000 2.535 28 S HA 0.359 5.762 4.470 1.556 0.000 0.214 28 S C 0.585 175.169 174.600 -0.026 0.000 0.980 28 S CA 0.740 58.946 58.200 0.010 0.000 0.907 28 S CB 0.101 63.311 63.200 0.017 0.000 0.790 28 S HN 1.002 nan 8.310 nan 0.000 0.510 29 S N 0.329 116.011 115.700 -0.031 0.000 2.566 29 S HA 0.422 5.826 4.470 1.556 0.000 0.273 29 S C -2.449 172.110 174.600 -0.068 0.000 1.157 29 S CA -1.341 56.807 58.200 -0.088 0.000 0.938 29 S CB 1.372 64.494 63.200 -0.130 0.000 1.087 29 S HN -0.176 nan 8.310 nan 0.000 0.474 30 P HA -0.148 nan 4.420 nan 0.000 0.215 30 P C 1.520 178.797 177.300 -0.038 0.000 1.163 30 P CA 0.951 64.021 63.100 -0.050 0.000 0.894 30 P CB 0.056 31.707 31.700 -0.081 0.000 0.791 31 V N -0.059 119.782 119.914 -0.121 0.000 2.660 31 V HA -0.261 4.793 4.120 1.556 0.000 0.257 31 V C 1.987 178.122 176.094 0.068 0.000 1.088 31 V CA 1.772 64.014 62.300 -0.096 0.000 1.106 31 V CB -0.862 30.779 31.823 -0.305 0.000 0.686 31 V HN 0.099 nan 8.190 nan 0.000 0.481 32 R N -0.055 120.494 120.500 0.082 0.000 2.307 32 R HA 0.147 5.421 4.340 1.556 0.000 0.199 32 R C 2.118 178.508 176.300 0.151 0.000 1.000 32 R CA 0.857 57.068 56.100 0.184 0.000 1.023 32 R CB -0.338 30.025 30.300 0.104 0.000 0.908 32 R HN 0.549 nan 8.270 nan 0.000 0.473 33 A N 0.517 123.427 122.820 0.150 0.000 2.119 33 A HA -0.039 5.214 4.320 1.556 0.000 0.216 33 A C 0.349 178.052 177.584 0.198 0.000 1.152 33 A CA 0.346 52.465 52.037 0.136 0.000 0.708 33 A CB -0.270 18.857 19.000 0.212 0.000 0.805 33 A HN 0.373 nan 8.150 nan 0.000 0.460 34 F N -1.997 117.936 119.950 -0.029 0.000 2.953 34 F HA -0.235 5.277 4.527 1.643 0.000 0.292 34 F C 1.409 177.219 175.800 0.016 0.000 0.747 34 F CA 0.763 58.751 58.000 -0.020 0.000 1.222 34 F CB -1.659 37.315 39.000 -0.043 0.000 1.457 34 F HN 0.211 nan 8.300 nan 0.000 0.383 35 K N -0.173 120.332 120.400 0.174 0.000 2.211 35 K HA -0.063 5.190 4.320 1.556 0.000 0.204 35 K C 1.678 178.331 176.600 0.089 0.000 1.047 35 K CA 1.509 57.873 56.287 0.129 0.000 0.935 35 K CB -0.384 32.182 32.500 0.110 0.000 0.728 35 K HN 0.509 nan 8.250 nan 0.000 0.452 36 S N -0.371 115.362 115.700 0.054 0.000 2.583 36 S HA 0.195 5.599 4.470 1.556 0.000 0.239 36 S C 0.732 175.357 174.600 0.041 0.000 0.966 36 S CA -0.499 57.732 58.200 0.051 0.000 0.973 36 S CB 0.578 63.807 63.200 0.048 0.000 0.794 36 S HN -0.046 nan 8.310 nan 0.000 0.463 37 V N 0.143 120.070 119.914 0.021 0.000 3.590 37 V HA 0.508 5.561 4.120 1.556 0.000 0.389 37 V C 1.061 177.202 176.094 0.079 0.000 1.545 37 V CA 0.318 62.616 62.300 -0.004 0.000 1.448 37 V CB 0.288 31.934 31.823 -0.294 0.000 1.105 37 V HN 0.660 nan 8.190 nan 0.000 0.537 38 G N -0.016 108.858 108.800 0.123 0.000 2.541 38 G HA2 0.114 5.008 3.960 1.556 0.000 0.201 38 G HA3 0.114 5.008 3.960 1.556 0.000 0.201 38 G C 1.237 176.247 174.900 0.184 0.000 1.026 38 G CA 0.477 45.673 45.100 0.159 0.000 0.687 38 G HN 1.759 nan 8.290 nan 0.000 0.492 39 G N -0.872 108.069 108.800 0.234 0.000 2.157 39 G HA2 -0.120 4.774 3.960 1.556 0.000 0.239 39 G HA3 -0.120 4.774 3.960 1.556 0.000 0.239 39 G C 0.057 175.065 174.900 0.180 0.000 0.982 39 G CA 0.964 46.197 45.100 0.222 0.000 0.650 39 G HN 1.172 nan 8.290 nan 0.000 0.527 40 Q N 0.602 120.510 119.800 0.181 0.000 2.523 40 Q HA 0.379 5.653 4.340 1.556 0.000 0.251 40 Q C -2.593 173.219 176.000 -0.314 0.000 1.033 40 Q CA -1.452 54.352 55.803 0.002 0.000 0.746 40 Q CB 2.129 30.928 28.738 0.101 0.000 1.189 40 Q HN 0.333 nan 8.270 nan 0.000 0.508 41 P HA 0.266 nan 4.420 nan 0.000 0.274 41 P C -0.024 176.846 177.300 -0.716 0.000 1.231 41 P CA -0.374 61.870 63.100 -1.427 0.000 0.790 41 P CB 0.677 31.615 31.700 -1.271 0.000 0.951 42 I N -1.478 118.787 120.570 -0.508 0.000 2.460 42 I HA 0.547 5.651 4.170 1.556 0.000 0.298 42 I C -0.755 175.341 176.117 -0.034 0.000 0.989 42 I CA -1.253 59.984 61.300 -0.104 0.000 1.173 42 I CB 1.793 39.868 38.000 0.125 0.000 1.338 42 I HN -0.091 nan 8.210 nan 0.000 0.456 43 V N 5.777 125.728 119.914 0.061 0.000 2.432 43 V HA 0.303 5.356 4.120 1.556 0.000 0.275 43 V C -0.009 176.273 176.094 0.314 0.000 1.043 43 V CA -0.247 62.123 62.300 0.117 0.000 0.925 43 V CB 0.658 32.537 31.823 0.093 0.000 0.985 43 V HN 0.453 nan 8.190 nan 0.000 0.466 44 F N 2.864 122.804 119.950 -0.018 0.000 2.389 44 F HA 0.280 5.739 4.527 1.554 0.000 0.337 44 F C 1.052 176.872 175.800 0.032 0.000 1.112 44 F CA -0.841 57.158 58.000 -0.001 0.000 1.192 44 F CB 1.033 40.000 39.000 -0.055 0.000 1.185 44 F HN 0.651 nan 8.300 nan 0.000 0.552 45 D N 0.123 120.630 120.400 0.179 0.000 2.597 45 D HA 0.134 5.708 4.640 1.556 0.000 0.261 45 D C -0.087 176.259 176.300 0.076 0.000 1.023 45 D CA 0.346 54.411 54.000 0.108 0.000 0.927 45 D CB 0.666 41.508 40.800 0.071 0.000 1.168 45 D HN 0.556 nan 8.370 nan 0.000 0.491 46 R N -0.626 119.921 120.500 0.078 0.000 2.716 46 R HA 0.570 5.843 4.340 1.556 0.000 0.271 46 R C -1.657 174.700 176.300 0.095 0.000 1.028 46 R CA -0.986 55.146 56.100 0.054 0.000 0.883 46 R CB 1.325 31.603 30.300 -0.037 0.000 1.250 46 R HN -0.069 nan 8.270 nan 0.000 0.465 47 V N -1.446 118.496 119.914 0.047 0.000 2.841 47 V HA 0.845 5.899 4.120 1.556 0.000 0.310 47 V C -0.955 175.222 176.094 0.138 0.000 1.090 47 V CA -0.889 61.392 62.300 -0.032 0.000 0.930 47 V CB 1.865 33.342 31.823 -0.575 0.000 1.014 47 V HN 0.957 nan 8.190 nan 0.000 0.425 48 K N 2.453 123.042 120.400 0.316 0.000 2.550 48 K HA 0.528 5.781 4.320 1.556 0.000 0.252 48 K C -0.222 176.543 176.600 0.275 0.000 0.943 48 K CA 0.076 56.550 56.287 0.312 0.000 0.806 48 K CB 1.677 34.376 32.500 0.331 0.000 1.289 48 K HN 0.939 nan 8.250 nan 0.000 0.435 49 D N 1.728 122.209 120.400 0.135 0.000 4.259 49 D HA -0.315 5.259 4.640 1.556 0.000 0.150 49 D C 0.376 176.518 176.300 -0.263 0.000 0.731 49 D CA 2.464 56.432 54.000 -0.053 0.000 1.138 49 D CB -1.107 39.672 40.800 -0.035 0.000 0.540 49 D HN 0.598 nan 8.370 nan 0.000 0.507 50 A N 0.022 122.434 122.820 -0.679 0.000 2.430 50 A HA 0.394 5.648 4.320 1.556 0.000 0.243 50 A C -0.233 176.772 177.584 -0.964 0.000 1.254 50 A CA 0.040 51.443 52.037 -1.057 0.000 0.914 50 A CB 0.121 18.197 19.000 -1.541 0.000 0.998 50 A HN 0.336 nan 8.150 nan 0.000 0.515 51 Y N -1.432 118.805 120.300 -0.105 0.000 2.650 51 Y HA 0.770 6.253 4.550 1.554 0.000 0.331 51 Y C 0.372 176.127 175.900 -0.242 0.000 1.082 51 Y CA -1.212 56.738 58.100 -0.250 0.000 1.171 51 Y CB 1.315 39.464 38.460 -0.519 0.000 1.326 51 Y HN 0.135 nan 8.280 nan 0.000 0.513 52 A N 0.268 122.892 122.820 -0.326 0.000 2.549 52 A HA 0.691 5.945 4.320 1.556 0.000 0.297 52 A C -1.969 175.289 177.584 -0.544 0.000 1.061 52 A CA -0.700 51.058 52.037 -0.464 0.000 0.690 52 A CB 1.302 19.807 19.000 -0.825 0.000 1.287 52 A HN 0.696 nan 8.150 nan 0.000 0.402 53 W N 0.805 121.866 121.300 -0.398 0.000 2.761 53 W HA 0.384 5.981 4.660 1.561 0.000 0.340 53 W C -0.940 175.446 176.519 -0.221 0.000 1.072 53 W CA -0.301 56.911 57.345 -0.222 0.000 1.215 53 W CB 2.147 31.520 29.460 -0.145 0.000 1.420 53 W HN 0.750 nan 8.180 nan 0.000 0.519 54 D N 0.163 120.672 120.400 0.181 0.000 2.348 54 D HA 0.158 5.731 4.640 1.556 0.000 0.249 54 D C 0.832 177.222 176.300 0.149 0.000 1.110 54 D CA -0.225 53.890 54.000 0.191 0.000 0.967 54 D CB 2.279 43.211 40.800 0.220 0.000 1.139 54 D HN -0.032 nan 8.370 nan 0.000 0.466 55 V N 1.494 121.484 119.914 0.126 0.000 3.510 55 V HA -0.062 4.992 4.120 1.556 0.000 0.270 55 V C 0.966 177.094 176.094 0.057 0.000 1.201 55 V CA 1.166 63.518 62.300 0.085 0.000 1.166 55 V CB -0.270 31.601 31.823 0.080 0.000 0.825 55 V HN 0.466 nan 8.190 nan 0.000 0.484 56 D N -0.331 120.104 120.400 0.059 0.000 2.407 56 D HA 0.229 5.803 4.640 1.556 0.000 0.208 56 D C 1.758 178.076 176.300 0.031 0.000 1.083 56 D CA 1.050 55.063 54.000 0.022 0.000 0.844 56 D CB 1.382 42.168 40.800 -0.023 0.000 0.967 56 D HN 0.465 nan 8.370 nan 0.000 0.506 57 G N 1.392 110.238 108.800 0.077 0.000 2.195 57 G HA2 -0.237 4.657 3.960 1.556 0.000 0.224 57 G HA3 -0.237 4.657 3.960 1.556 0.000 0.224 57 G C 0.130 175.096 174.900 0.111 0.000 0.990 57 G CA -0.418 44.747 45.100 0.107 0.000 0.639 57 G HN 0.290 nan 8.290 nan 0.000 0.514 58 N N 0.445 119.156 118.700 0.019 0.000 2.518 58 N HA 0.491 6.164 4.740 1.556 0.000 0.266 58 N C 0.224 175.485 175.510 -0.415 0.000 1.196 58 N CA -0.004 52.940 53.050 -0.177 0.000 0.947 58 N CB 0.674 39.059 38.487 -0.170 0.000 1.098 58 N HN 0.509 nan 8.380 nan 0.000 0.450 59 R N 1.810 121.903 120.500 -0.679 0.000 2.637 59 R HA 0.404 5.678 4.340 1.556 0.000 0.291 59 R C -1.501 174.249 176.300 -0.917 0.000 0.963 59 R CA -0.500 55.009 56.100 -0.984 0.000 0.901 59 R CB 0.678 30.393 30.300 -0.974 0.000 1.160 59 R HN 0.554 nan 8.270 nan 0.000 0.457 60 Y N 2.617 122.664 120.300 -0.422 0.000 2.576 60 Y HA 0.450 5.937 4.550 1.562 0.000 0.346 60 Y C 0.053 175.915 175.900 -0.063 0.000 1.018 60 Y CA -1.014 56.994 58.100 -0.153 0.000 1.050 60 Y CB 1.835 40.278 38.460 -0.027 0.000 1.280 60 Y HN 0.352 nan 8.280 nan 0.000 0.474 61 I N 2.336 123.053 120.570 0.244 0.000 2.312 61 I HA 0.123 5.227 4.170 1.556 0.000 0.291 61 I C -0.474 175.746 176.117 0.172 0.000 1.031 61 I CA -0.305 61.112 61.300 0.195 0.000 1.293 61 I CB 0.620 38.772 38.000 0.252 0.000 1.403 61 I HN 0.541 nan 8.210 nan 0.000 0.484 62 D N 5.555 125.959 120.400 0.007 0.000 2.264 62 D HA 0.124 5.698 4.640 1.556 0.000 0.250 62 D C -0.242 176.002 176.300 -0.093 0.000 1.113 62 D CA 0.233 54.298 54.000 0.108 0.000 0.871 62 D CB 0.898 41.802 40.800 0.173 0.000 1.167 62 D HN 0.339 nan 8.370 nan 0.000 0.447 63 Y N 1.828 122.315 120.300 0.312 0.000 2.527 63 Y HA 0.120 5.604 4.550 1.556 0.000 0.247 63 Y C 1.714 177.717 175.900 0.172 0.000 1.138 63 Y CA -0.145 58.095 58.100 0.234 0.000 1.228 63 Y CB 0.778 39.367 38.460 0.215 0.000 1.252 63 Y HN 0.270 nan 8.280 nan 0.000 0.531 64 V N -0.866 119.187 119.914 0.232 0.000 2.500 64 V HA 0.092 5.146 4.120 1.556 0.000 0.243 64 V C 1.718 177.823 176.094 0.019 0.000 1.039 64 V CA 1.362 63.650 62.300 -0.020 0.000 1.053 64 V CB -0.788 30.903 31.823 -0.220 0.000 0.695 64 V HN 0.498 nan 8.190 nan 0.000 0.463 65 G N 0.800 109.648 108.800 0.080 0.000 2.323 65 G HA2 -0.360 4.533 3.960 1.556 0.000 0.292 65 G HA3 -0.360 4.533 3.960 1.556 0.000 0.292 65 G C 0.572 175.478 174.900 0.010 0.000 1.040 65 G CA 1.249 46.363 45.100 0.024 0.000 0.942 65 G HN 0.901 nan 8.290 nan 0.000 0.506 66 T N -2.093 112.487 114.554 0.043 0.000 4.040 66 T HA -0.305 4.979 4.350 1.556 0.000 0.341 66 T C 1.101 175.872 174.700 0.118 0.000 0.758 66 T CA 2.160 64.296 62.100 0.059 0.000 1.893 66 T CB -1.784 67.201 68.868 0.194 0.000 1.886 66 T HN 2.113 nan 8.240 nan 0.000 0.833 67 W N -2.862 118.489 121.300 0.085 0.000 4.034 67 W HA -0.117 5.460 4.660 1.529 0.000 0.345 67 W C 1.293 177.638 176.519 -0.290 0.000 1.308 67 W CA 0.763 58.125 57.345 0.028 0.000 0.740 67 W CB -1.957 27.567 29.460 0.108 0.000 2.404 67 W HN 1.267 nan 8.180 nan 0.000 1.353 68 G N -4.068 104.432 108.800 -0.501 0.000 3.031 68 G HA2 -0.249 4.644 3.960 1.556 0.000 0.198 68 G HA3 -0.249 4.644 3.960 1.556 0.000 0.198 68 G C -0.540 174.214 174.900 -0.243 0.000 1.242 68 G CA -0.009 44.723 45.100 -0.614 0.000 0.878 68 G HN 0.166 nan 8.290 nan 0.000 0.493 69 P HA 0.036 nan 4.420 nan 0.000 0.216 69 P C 1.621 178.908 177.300 -0.023 0.000 1.157 69 P CA 2.522 65.616 63.100 -0.009 0.000 0.880 69 P CB -0.138 31.591 31.700 0.049 0.000 0.791 70 A N -1.045 121.747 122.820 -0.047 0.000 2.604 70 A HA 0.022 5.275 4.320 1.556 0.000 0.248 70 A C 1.621 179.149 177.584 -0.093 0.000 1.466 70 A CA -0.050 51.934 52.037 -0.089 0.000 1.222 70 A CB -1.970 16.888 19.000 -0.238 0.000 0.945 70 A HN 0.207 nan 8.150 nan 0.000 0.600 71 I N -1.478 119.069 120.570 -0.038 0.000 2.530 71 I HA -0.256 4.848 4.170 1.556 0.000 0.257 71 I C 1.513 177.631 176.117 0.002 0.000 1.179 71 I CA 1.399 62.703 61.300 0.007 0.000 1.440 71 I CB 0.095 38.126 38.000 0.052 0.000 1.087 71 I HN 0.487 nan 8.210 nan 0.000 0.440 72 C N 1.647 120.938 119.300 -0.015 0.000 2.697 72 C HA 0.467 5.860 4.460 1.556 0.000 0.267 72 C C 1.035 176.061 174.990 0.060 0.000 1.278 72 C CA 0.417 59.438 59.018 0.005 0.000 1.708 72 C CB -1.615 26.087 27.740 -0.065 0.000 1.860 72 C HN 0.773 nan 8.230 nan 0.000 0.589 73 G N -0.082 108.698 108.800 -0.033 0.000 2.697 73 G HA2 -0.068 4.826 3.960 1.556 0.000 0.686 73 G HA3 -0.068 4.826 3.960 1.556 0.000 0.686 73 G C -0.909 173.957 174.900 -0.055 0.000 1.179 73 G CA -0.932 44.104 45.100 -0.107 0.000 0.765 73 G HN 0.602 nan 8.290 nan 0.000 0.649 74 H N 0.484 119.552 119.070 -0.004 0.000 2.897 74 H HA 0.426 5.914 4.556 1.554 0.000 0.347 74 H C 1.356 176.710 175.328 0.043 0.000 1.068 74 H CA 1.124 57.190 56.048 0.030 0.000 1.426 74 H CB 0.988 30.771 29.762 0.035 0.000 1.410 74 H HN 2.132 nan 8.280 nan 0.000 0.597 75 A N 2.057 124.996 122.820 0.198 0.000 2.466 75 A HA -0.255 4.998 4.320 1.556 0.000 0.295 75 A C 0.266 177.908 177.584 0.096 0.000 1.465 75 A CA 0.570 52.680 52.037 0.121 0.000 0.744 75 A CB -2.144 16.908 19.000 0.088 0.000 1.098 75 A HN 0.823 nan 8.150 nan 0.000 0.402 76 H N 0.606 119.693 119.070 0.029 0.000 2.964 76 H HA 0.141 5.630 4.556 1.555 0.000 0.328 76 H C -1.199 174.131 175.328 0.003 0.000 1.030 76 H CA -0.533 55.519 56.048 0.005 0.000 1.445 76 H CB 0.748 30.504 29.762 -0.011 0.000 1.449 76 H HN 0.228 nan 8.280 nan 0.000 0.581 77 P HA -0.156 nan 4.420 nan 0.000 0.216 77 P C 0.930 178.296 177.300 0.109 0.000 1.153 77 P CA 1.584 64.672 63.100 -0.020 0.000 0.858 77 P CB 0.276 31.904 31.700 -0.120 0.000 0.789 78 E N -1.020 119.362 120.200 0.303 0.000 2.274 78 E HA -0.065 5.219 4.350 1.556 0.000 0.194 78 E C 1.822 178.492 176.600 0.116 0.000 0.996 78 E CA 0.579 57.100 56.400 0.202 0.000 0.840 78 E CB -0.273 29.546 29.700 0.198 0.000 0.772 78 E HN 0.099 nan 8.360 nan 0.000 0.491 79 V N 1.932 121.934 119.914 0.148 0.000 2.379 79 V HA -0.171 4.882 4.120 1.556 0.000 0.243 79 V C 2.361 178.480 176.094 0.042 0.000 1.035 79 V CA 1.433 63.761 62.300 0.047 0.000 1.035 79 V CB -0.367 31.476 31.823 0.032 0.000 0.673 79 V HN 0.375 nan 8.190 nan 0.000 0.457 80 I N -0.968 119.637 120.570 0.059 0.000 2.614 80 I HA -0.137 4.967 4.170 1.556 0.000 0.258 80 I C 2.229 178.359 176.117 0.022 0.000 1.189 80 I CA 1.887 63.208 61.300 0.034 0.000 1.462 80 I CB -0.390 37.630 38.000 0.033 0.000 1.092 80 I HN 0.392 nan 8.210 nan 0.000 0.442 81 E N 2.089 122.304 120.200 0.026 0.000 2.112 81 E HA -0.155 5.129 4.350 1.556 0.000 0.190 81 E C 2.246 178.852 176.600 0.010 0.000 0.979 81 E CA 1.191 57.600 56.400 0.016 0.000 0.814 81 E CB 0.026 29.737 29.700 0.019 0.000 0.762 81 E HN 0.621 nan 8.360 nan 0.000 0.460 82 A N 1.371 124.197 122.820 0.009 0.000 1.933 82 A HA -0.115 5.138 4.320 1.556 0.000 0.218 82 A C 2.286 179.865 177.584 -0.008 0.000 1.175 82 A CA 0.976 53.012 52.037 -0.003 0.000 0.628 82 A CB -0.526 18.467 19.000 -0.011 0.000 0.814 82 A HN 0.292 nan 8.150 nan 0.000 0.444 83 L N -0.926 120.293 121.223 -0.006 0.000 2.131 83 L HA -0.120 5.154 4.340 1.556 0.000 0.206 83 L C 2.488 179.355 176.870 -0.005 0.000 1.087 83 L CA 1.216 56.050 54.840 -0.011 0.000 0.767 83 L CB -0.379 41.675 42.059 -0.008 0.000 0.917 83 L HN 0.336 nan 8.230 nan 0.000 0.441 84 K N -0.277 120.123 120.400 0.001 0.000 2.097 84 K HA -0.124 5.130 4.320 1.556 0.000 0.206 84 K C 2.035 178.638 176.600 0.004 0.000 1.049 84 K CA 1.067 57.356 56.287 0.002 0.000 0.933 84 K CB -0.160 32.342 32.500 0.003 0.000 0.717 84 K HN 0.136 nan 8.250 nan 0.000 0.442 85 V N 1.319 121.234 119.914 0.003 0.000 2.323 85 V HA -0.208 4.846 4.120 1.556 0.000 0.244 85 V C 2.382 178.481 176.094 0.009 0.000 1.041 85 V CA 1.922 64.226 62.300 0.006 0.000 1.025 85 V CB -0.553 31.272 31.823 0.004 0.000 0.656 85 V HN 0.325 nan 8.190 nan 0.000 0.451 86 A N 1.200 124.021 122.820 0.001 0.000 1.877 86 A HA -0.273 4.980 4.320 1.556 0.000 0.216 86 A C 2.256 179.847 177.584 0.011 0.000 1.186 86 A CA 2.418 54.455 52.037 0.001 0.000 0.620 86 A CB -0.601 18.383 19.000 -0.026 0.000 0.822 86 A HN 0.664 nan 8.150 nan 0.000 0.443 87 M N 0.338 119.941 119.600 0.005 0.000 2.435 87 M HA -0.148 5.266 4.480 1.556 0.000 0.262 87 M C 1.461 177.780 176.300 0.031 0.000 1.065 87 M CA 2.005 57.313 55.300 0.014 0.000 1.076 87 M CB -0.974 31.629 32.600 0.006 0.000 1.403 87 M HN 0.615 nan 8.290 nan 0.000 0.454 88 E N 1.719 121.937 120.200 0.030 0.000 2.478 88 E HA -0.100 5.184 4.350 1.556 0.000 0.198 88 E C 1.032 177.662 176.600 0.049 0.000 1.046 88 E CA 0.673 57.093 56.400 0.032 0.000 0.870 88 E CB -0.268 29.446 29.700 0.022 0.000 0.818 88 E HN 0.661 nan 8.360 nan 0.000 0.527 89 K N 0.736 121.182 120.400 0.076 0.000 2.372 89 K HA 0.210 5.463 4.320 1.556 0.000 0.200 89 K C 0.137 176.865 176.600 0.212 0.000 1.022 89 K CA 0.341 56.702 56.287 0.122 0.000 1.125 89 K CB 1.234 33.828 32.500 0.157 0.000 0.855 89 K HN 0.234 nan 8.250 nan 0.000 0.524 90 G N 0.960 109.856 108.800 0.159 0.000 2.697 90 G HA2 -0.226 4.668 3.960 1.556 0.000 0.686 90 G HA3 -0.226 4.668 3.960 1.556 0.000 0.686 90 G C 0.425 175.392 174.900 0.111 0.000 1.179 90 G CA -0.238 44.974 45.100 0.187 0.000 0.765 90 G HN 0.085 nan 8.290 nan 0.000 0.649 91 T N -2.476 112.105 114.554 0.044 0.000 3.044 91 T HA 0.569 5.853 4.350 1.556 0.000 0.255 91 T C 1.118 175.740 174.700 -0.131 0.000 1.073 91 T CA 1.409 63.479 62.100 -0.050 0.000 1.125 91 T CB 0.438 69.291 68.868 -0.025 0.000 0.908 91 T HN 1.728 nan 8.240 nan 0.000 0.480 92 S N -0.576 115.094 115.700 -0.050 0.000 2.575 92 S HA 0.633 6.037 4.470 1.556 0.000 0.278 92 S C -0.794 173.909 174.600 0.171 0.000 1.139 92 S CA -0.812 57.353 58.200 -0.059 0.000 0.954 92 S CB 0.877 64.074 63.200 -0.004 0.000 1.054 92 S HN 0.090 nan 8.310 nan 0.000 0.483 93 F N 2.404 122.351 119.950 -0.004 0.000 2.399 93 F HA 0.431 5.892 4.527 1.557 0.000 0.282 93 F C 2.284 178.086 175.800 0.004 0.000 1.027 93 F CA 0.697 58.696 58.000 -0.001 0.000 1.333 93 F CB -0.876 38.122 39.000 -0.004 0.000 1.132 93 F HN 0.878 nan 8.300 nan 0.000 0.590 94 G N 0.011 108.937 108.800 0.210 0.000 2.179 94 G HA2 0.058 4.951 3.960 1.556 0.000 0.220 94 G HA3 0.058 4.951 3.960 1.556 0.000 0.220 94 G C 0.195 175.162 174.900 0.112 0.000 0.990 94 G CA 0.118 45.291 45.100 0.121 0.000 0.646 94 G HN 0.734 nan 8.290 nan 0.000 0.517 95 A N -0.406 122.508 122.820 0.157 0.000 2.486 95 A HA 0.960 6.213 4.320 1.556 0.000 0.289 95 A C -2.556 175.116 177.584 0.146 0.000 1.176 95 A CA -1.095 51.012 52.037 0.116 0.000 0.757 95 A CB 0.801 19.849 19.000 0.080 0.000 1.337 95 A HN 0.129 nan 8.150 nan 0.000 0.423 96 P HA 0.428 nan 4.420 nan 0.000 0.270 96 P C -0.492 176.903 177.300 0.159 0.000 1.223 96 P CA -0.099 63.062 63.100 0.102 0.000 0.785 96 P CB 0.276 32.016 31.700 0.068 0.000 0.923 97 C N -1.507 117.874 119.300 0.134 0.000 3.173 97 C HA 0.804 6.198 4.460 1.556 0.000 0.310 97 C C 1.499 176.538 174.990 0.081 0.000 1.306 97 C CA -0.077 59.046 59.018 0.174 0.000 1.426 97 C CB 0.957 28.835 27.740 0.230 0.000 1.800 97 C HN 0.646 nan 8.230 nan 0.000 0.470 98 A N 0.759 123.625 122.820 0.077 0.000 1.972 98 A HA -0.003 5.250 4.320 1.556 0.000 0.219 98 A C 1.798 179.390 177.584 0.014 0.000 1.169 98 A CA 1.696 53.758 52.037 0.041 0.000 0.635 98 A CB -0.568 18.456 19.000 0.040 0.000 0.810 98 A HN 0.937 nan 8.150 nan 0.000 0.446 99 L N 0.051 121.268 121.223 -0.010 0.000 2.127 99 L HA -0.177 5.097 4.340 1.556 0.000 0.211 99 L C 2.272 179.086 176.870 -0.094 0.000 1.089 99 L CA 1.923 56.728 54.840 -0.059 0.000 0.757 99 L CB -1.104 40.897 42.059 -0.097 0.000 0.899 99 L HN 0.500 nan 8.230 nan 0.000 0.434 100 E N -0.820 119.328 120.200 -0.086 0.000 2.077 100 E HA -0.223 5.060 4.350 1.556 0.000 0.193 100 E C 1.916 178.544 176.600 0.047 0.000 0.989 100 E CA 1.213 57.562 56.400 -0.084 0.000 0.800 100 E CB -0.093 29.601 29.700 -0.010 0.000 0.746 100 E HN 0.473 nan 8.360 nan 0.000 0.452 101 N N 0.131 118.858 118.700 0.044 0.000 2.120 101 N HA -0.153 5.521 4.740 1.556 0.000 0.188 101 N C 1.878 177.422 175.510 0.057 0.000 1.024 101 N CA 1.206 54.292 53.050 0.060 0.000 0.852 101 N CB -0.220 38.291 38.487 0.040 0.000 1.003 101 N HN 0.148 nan 8.380 nan 0.000 0.424 102 V N -0.164 119.767 119.914 0.029 0.000 2.323 102 V HA -0.027 5.026 4.120 1.556 0.000 0.244 102 V C 1.886 178.006 176.094 0.043 0.000 1.041 102 V CA 1.186 63.502 62.300 0.027 0.000 1.025 102 V CB -0.560 31.268 31.823 0.008 0.000 0.656 102 V HN 0.295 nan 8.190 nan 0.000 0.451 103 L N 0.185 121.419 121.223 0.018 0.000 2.046 103 L HA -0.090 5.184 4.340 1.556 0.000 0.208 103 L C 2.829 179.840 176.870 0.234 0.000 1.077 103 L CA 2.081 56.950 54.840 0.049 0.000 0.747 103 L CB -0.810 41.171 42.059 -0.131 0.000 0.896 103 L HN 0.521 nan 8.230 nan 0.000 0.432 104 A N -0.395 122.617 122.820 0.320 0.000 1.883 104 A HA -0.305 4.948 4.320 1.556 0.000 0.217 104 A C 2.137 179.798 177.584 0.128 0.000 1.186 104 A CA 2.002 54.213 52.037 0.290 0.000 0.624 104 A CB -0.594 18.550 19.000 0.241 0.000 0.822 104 A HN 0.543 nan 8.150 nan 0.000 0.444 105 E N -0.708 119.552 120.200 0.100 0.000 2.077 105 E HA -0.179 5.105 4.350 1.556 0.000 0.193 105 E C 2.099 178.749 176.600 0.083 0.000 0.989 105 E CA 1.367 57.809 56.400 0.070 0.000 0.800 105 E CB -0.196 29.539 29.700 0.057 0.000 0.746 105 E HN 0.656 nan 8.360 nan 0.000 0.452 106 M N -0.136 119.523 119.600 0.099 0.000 2.080 106 M HA -0.180 5.234 4.480 1.556 0.000 0.260 106 M C 2.311 178.690 176.300 0.130 0.000 1.068 106 M CA 1.145 56.516 55.300 0.117 0.000 1.109 106 M CB -0.176 32.483 32.600 0.098 0.000 1.342 106 M HN 0.103 nan 8.290 nan 0.000 0.405 107 V N 0.954 120.946 119.914 0.132 0.000 2.343 107 V HA -0.260 4.793 4.120 1.556 0.000 0.247 107 V C 1.870 178.005 176.094 0.069 0.000 1.051 107 V CA 1.860 64.244 62.300 0.140 0.000 1.036 107 V CB -1.007 30.902 31.823 0.143 0.000 0.654 107 V HN 0.455 nan 8.190 nan 0.000 0.451 108 N N 0.507 119.233 118.700 0.042 0.000 2.084 108 N HA -0.157 5.517 4.740 1.556 0.000 0.190 108 N C 1.566 177.097 175.510 0.035 0.000 1.030 108 N CA 1.671 54.728 53.050 0.013 0.000 0.849 108 N CB -0.526 37.964 38.487 0.005 0.000 1.012 108 N HN 0.445 nan 8.380 nan 0.000 0.423 109 D N 0.394 120.836 120.400 0.069 0.000 2.117 109 D HA -0.061 5.513 4.640 1.556 0.000 0.197 109 D C 1.794 178.171 176.300 0.128 0.000 0.987 109 D CA 1.182 55.239 54.000 0.096 0.000 0.829 109 D CB -0.379 40.493 40.800 0.120 0.000 0.961 109 D HN 0.259 nan 8.370 nan 0.000 0.460 110 A N 0.628 123.532 122.820 0.140 0.000 1.845 110 A HA -0.082 5.171 4.320 1.556 0.000 0.215 110 A C 1.384 178.957 177.584 -0.019 0.000 1.195 110 A CA 1.059 53.148 52.037 0.087 0.000 0.616 110 A CB -0.448 18.498 19.000 -0.090 0.000 0.832 110 A HN 0.179 nan 8.150 nan 0.000 0.443 111 V N -0.015 119.862 119.914 -0.060 0.000 2.350 111 V HA 0.363 5.417 4.120 1.556 0.000 0.276 111 V C -1.772 174.283 176.094 -0.065 0.000 1.028 111 V CA -1.809 60.426 62.300 -0.107 0.000 0.860 111 V CB 1.220 32.929 31.823 -0.189 0.000 0.990 111 V HN 0.232 nan 8.190 nan 0.000 0.453 112 P HA -0.249 nan 4.420 nan 0.000 0.216 112 P C 1.878 179.139 177.300 -0.065 0.000 1.151 112 P CA 2.876 65.947 63.100 -0.048 0.000 0.953 112 P CB 0.001 31.671 31.700 -0.050 0.000 0.789 113 S N -1.461 114.183 115.700 -0.093 0.000 2.474 113 S HA -0.067 5.337 4.470 1.556 0.000 0.235 113 S C 0.974 175.516 174.600 -0.096 0.000 0.997 113 S CA 0.569 58.705 58.200 -0.108 0.000 0.949 113 S CB -1.178 61.932 63.200 -0.150 0.000 0.766 113 S HN 0.065 nan 8.310 nan 0.000 0.517 114 I N 2.313 122.831 120.570 -0.087 0.000 2.308 114 I HA 0.186 5.290 4.170 1.556 0.000 0.293 114 I C 0.861 176.934 176.117 -0.073 0.000 1.078 114 I CA -0.040 61.208 61.300 -0.088 0.000 1.292 114 I CB 0.802 38.747 38.000 -0.092 0.000 1.423 114 I HN 0.281 nan 8.210 nan 0.000 0.493 115 E N 5.529 125.681 120.200 -0.079 0.000 2.431 115 E HA 0.237 5.521 4.350 1.556 0.000 0.200 115 E C 0.124 176.679 176.600 -0.075 0.000 0.995 115 E CA 0.283 56.645 56.400 -0.065 0.000 0.915 115 E CB 0.990 30.654 29.700 -0.061 0.000 0.930 115 E HN 0.560 nan 8.360 nan 0.000 0.496 116 M N 1.060 120.597 119.600 -0.106 0.000 2.414 116 M HA 0.255 5.668 4.480 1.556 0.000 0.287 116 M C -1.945 174.232 176.300 -0.205 0.000 1.181 116 M CA -0.669 54.552 55.300 -0.131 0.000 0.933 116 M CB 2.193 34.724 32.600 -0.115 0.000 1.732 116 M HN -0.200 nan 8.290 nan 0.000 0.486 117 V N 1.196 120.943 119.914 -0.277 0.000 3.126 117 V HA 0.882 5.936 4.120 1.556 0.000 0.314 117 V C -1.177 174.571 176.094 -0.578 0.000 1.138 117 V CA -0.908 61.116 62.300 -0.460 0.000 1.034 117 V CB 1.992 33.446 31.823 -0.615 0.000 1.075 117 V HN 0.905 nan 8.190 nan 0.000 0.442 118 R N 0.698 120.719 120.500 -0.798 0.000 2.510 118 R HA 0.595 5.869 4.340 1.556 0.000 0.287 118 R C -1.981 173.914 176.300 -0.674 0.000 1.084 118 R CA -0.529 55.133 56.100 -0.731 0.000 0.934 118 R CB 0.878 30.612 30.300 -0.943 0.000 1.201 118 R HN 0.540 nan 8.270 nan 0.000 0.431 119 F N 4.155 124.002 119.950 -0.172 0.000 2.375 119 F HA 0.563 6.023 4.527 1.555 0.000 0.333 119 F C 0.916 176.697 175.800 -0.032 0.000 1.104 119 F CA 0.061 58.014 58.000 -0.078 0.000 1.149 119 F CB 1.342 40.308 39.000 -0.058 0.000 1.190 119 F HN 0.408 nan 8.300 nan 0.000 0.533 120 V N -0.401 119.637 119.914 0.207 0.000 3.069 120 V HA 0.539 5.593 4.120 1.556 0.000 0.312 120 V C -0.490 175.680 176.094 0.127 0.000 1.369 120 V CA -0.956 61.432 62.300 0.147 0.000 1.047 120 V CB 1.870 33.785 31.823 0.153 0.000 1.098 120 V HN 0.599 nan 8.190 nan 0.000 0.473 121 N N 0.661 119.417 118.700 0.092 0.000 2.205 121 N HA 0.425 6.099 4.740 1.556 0.000 0.201 121 N C -0.035 175.523 175.510 0.079 0.000 1.128 121 N CA 0.620 53.715 53.050 0.076 0.000 0.867 121 N CB 0.580 39.102 38.487 0.058 0.000 0.996 121 N HN 1.008 nan 8.380 nan 0.000 0.503 122 S N -3.171 112.580 115.700 0.085 0.000 2.615 122 S HA 0.454 5.857 4.470 1.556 0.000 0.268 122 S C 0.773 175.418 174.600 0.075 0.000 1.146 122 S CA -0.563 57.689 58.200 0.087 0.000 0.818 122 S CB 0.691 63.947 63.200 0.094 0.000 1.111 122 S HN -0.032 nan 8.310 nan 0.000 0.465 123 G N 0.614 109.458 108.800 0.074 0.000 2.422 123 G HA2 0.028 4.921 3.960 1.556 0.000 0.218 123 G HA3 0.028 4.921 3.960 1.556 0.000 0.218 123 G C 1.047 175.934 174.900 -0.021 0.000 1.140 123 G CA 1.437 46.564 45.100 0.044 0.000 0.775 123 G HN 0.791 nan 8.290 nan 0.000 0.545 124 T N 1.135 115.673 114.554 -0.027 0.000 2.652 124 T HA -0.107 5.176 4.350 1.556 0.000 0.267 124 T C 2.163 176.778 174.700 -0.143 0.000 1.039 124 T CA 1.561 63.585 62.100 -0.127 0.000 1.153 124 T CB -0.247 68.527 68.868 -0.155 0.000 0.863 124 T HN 0.458 nan 8.240 nan 0.000 0.428 125 E N 1.106 121.260 120.200 -0.077 0.000 2.097 125 E HA -0.156 5.127 4.350 1.556 0.000 0.196 125 E C 2.553 179.092 176.600 -0.101 0.000 1.000 125 E CA 1.113 57.469 56.400 -0.072 0.000 0.804 125 E CB -0.273 29.426 29.700 -0.002 0.000 0.740 125 E HN 0.493 nan 8.360 nan 0.000 0.454 126 A N 0.761 123.553 122.820 -0.046 0.000 1.933 126 A HA -0.194 5.060 4.320 1.556 0.000 0.218 126 A C 2.419 179.863 177.584 -0.233 0.000 1.175 126 A CA 1.263 53.268 52.037 -0.054 0.000 0.628 126 A CB -0.741 18.302 19.000 0.072 0.000 0.814 126 A HN 0.360 nan 8.150 nan 0.000 0.444 127 C N -1.231 117.944 119.300 -0.209 0.000 2.457 127 C HA -0.018 5.375 4.460 1.556 0.000 0.278 127 C C 2.827 177.596 174.990 -0.368 0.000 1.309 127 C CA 1.140 59.986 59.018 -0.287 0.000 1.735 127 C CB -1.260 26.325 27.740 -0.259 0.000 1.992 127 C HN 0.651 nan 8.230 nan 0.000 0.493 128 M N 1.221 120.630 119.600 -0.318 0.000 2.080 128 M HA -0.187 5.226 4.480 1.556 0.000 0.260 128 M C 2.517 178.622 176.300 -0.326 0.000 1.068 128 M CA 2.272 57.395 55.300 -0.295 0.000 1.109 128 M CB -0.512 31.956 32.600 -0.220 0.000 1.342 128 M HN 0.457 nan 8.290 nan 0.000 0.405 129 A N -0.749 121.822 122.820 -0.415 0.000 1.873 129 A HA -0.126 5.127 4.320 1.556 0.000 0.215 129 A C 2.268 179.479 177.584 -0.621 0.000 1.186 129 A CA 1.701 53.385 52.037 -0.588 0.000 0.616 129 A CB -1.100 17.293 19.000 -1.012 0.000 0.823 129 A HN 0.327 nan 8.150 nan 0.000 0.442 130 V N 0.106 119.650 119.914 -0.617 0.000 2.407 130 V HA -0.193 4.861 4.120 1.556 0.000 0.248 130 V C 2.413 178.338 176.094 -0.281 0.000 1.055 130 V CA 1.917 63.975 62.300 -0.404 0.000 1.049 130 V CB -0.418 31.231 31.823 -0.289 0.000 0.662 130 V HN 0.584 nan 8.190 nan 0.000 0.455 131 L N -0.500 120.531 121.223 -0.319 0.000 2.027 131 L HA -0.174 5.099 4.340 1.556 0.000 0.206 131 L C 2.707 179.474 176.870 -0.171 0.000 1.074 131 L CA 2.172 56.851 54.840 -0.268 0.000 0.745 131 L CB -0.648 41.188 42.059 -0.373 0.000 0.898 131 L HN 0.268 nan 8.230 nan 0.000 0.433 132 R N 0.147 120.539 120.500 -0.179 0.000 2.081 132 R HA -0.207 5.067 4.340 1.556 0.000 0.235 132 R C 2.303 178.559 176.300 -0.073 0.000 1.131 132 R CA 1.382 57.415 56.100 -0.111 0.000 0.960 132 R CB -0.236 29.995 30.300 -0.114 0.000 0.856 132 R HN 0.155 nan 8.270 nan 0.000 0.436 133 L N 1.283 122.445 121.223 -0.102 0.000 2.017 133 L HA -0.149 5.124 4.340 1.556 0.000 0.208 133 L C 2.346 179.223 176.870 0.011 0.000 1.073 133 L CA 1.994 56.811 54.840 -0.039 0.000 0.745 133 L CB -0.442 41.579 42.059 -0.064 0.000 0.894 133 L HN 0.371 nan 8.230 nan 0.000 0.432 134 M N -1.995 117.592 119.600 -0.022 0.000 2.213 134 M HA -0.180 5.234 4.480 1.556 0.000 0.263 134 M C 2.206 178.543 176.300 0.062 0.000 1.062 134 M CA 1.673 56.992 55.300 0.031 0.000 1.105 134 M CB -0.692 31.906 32.600 -0.003 0.000 1.385 134 M HN 0.137 nan 8.290 nan 0.000 0.417 135 R N 0.838 121.350 120.500 0.019 0.000 2.073 135 R HA 0.077 5.351 4.340 1.556 0.000 0.229 135 R C 2.580 178.899 176.300 0.032 0.000 1.120 135 R CA 1.386 57.497 56.100 0.017 0.000 0.967 135 R CB -0.424 29.872 30.300 -0.007 0.000 0.862 135 R HN 0.582 nan 8.270 nan 0.000 0.436 136 A N 0.212 123.059 122.820 0.044 0.000 1.898 136 A HA -0.194 5.059 4.320 1.556 0.000 0.216 136 A C 1.921 179.558 177.584 0.088 0.000 1.181 136 A CA 0.969 53.038 52.037 0.053 0.000 0.620 136 A CB -0.610 18.423 19.000 0.055 0.000 0.819 136 A HN 0.394 nan 8.150 nan 0.000 0.442 137 Y N 1.780 122.075 120.300 -0.008 0.000 2.200 137 Y HA -0.205 5.279 4.550 1.556 0.000 0.290 137 Y C 2.886 178.787 175.900 0.001 0.000 1.137 137 Y CA 2.383 60.481 58.100 -0.003 0.000 1.163 137 Y CB -0.510 37.948 38.460 -0.004 0.000 0.988 137 Y HN 0.447 nan 8.280 nan 0.000 0.518 138 T N -3.920 110.644 114.554 0.016 0.000 2.937 138 T HA 0.207 5.491 4.350 1.556 0.000 0.260 138 T C 1.793 176.452 174.700 -0.069 0.000 1.051 138 T CA 0.872 62.933 62.100 -0.064 0.000 1.141 138 T CB -0.623 68.267 68.868 0.037 0.000 0.879 138 T HN 0.673 nan 8.240 nan 0.000 0.459 139 G N 1.562 110.343 108.800 -0.032 0.000 2.132 139 G HA2 -0.201 4.693 3.960 1.556 0.000 0.234 139 G HA3 -0.201 4.693 3.960 1.556 0.000 0.234 139 G C 0.051 174.940 174.900 -0.018 0.000 0.989 139 G CA -0.046 45.036 45.100 -0.030 0.000 0.676 139 G HN 0.749 nan 8.290 nan 0.000 0.522 140 R N -0.751 119.744 120.500 -0.010 0.000 2.873 140 R HA 0.628 5.901 4.340 1.556 0.000 0.264 140 R C 0.010 176.303 176.300 -0.012 0.000 1.026 140 R CA -0.502 55.591 56.100 -0.011 0.000 1.002 140 R CB 0.985 31.280 30.300 -0.008 0.000 1.174 140 R HN 0.079 nan 8.270 nan 0.000 0.488 141 D N -0.123 120.265 120.400 -0.019 0.000 2.423 141 D HA 0.025 5.598 4.640 1.556 0.000 0.212 141 D C -0.354 175.932 176.300 -0.024 0.000 1.060 141 D CA 0.465 54.455 54.000 -0.018 0.000 0.872 141 D CB 0.490 41.280 40.800 -0.016 0.000 1.012 141 D HN 0.005 nan 8.370 nan 0.000 0.503 142 K N 1.167 121.540 120.400 -0.046 0.000 2.270 142 K HA 0.254 5.507 4.320 1.556 0.000 0.276 142 K C -0.131 176.427 176.600 -0.070 0.000 1.023 142 K CA -0.103 56.142 56.287 -0.070 0.000 0.955 142 K CB 1.559 33.988 32.500 -0.118 0.000 0.975 142 K HN 0.035 nan 8.250 nan 0.000 0.471 143 I N 3.739 124.277 120.570 -0.054 0.000 2.608 143 I HA 0.393 5.496 4.170 1.556 0.000 0.295 143 I C 0.088 176.145 176.117 -0.100 0.000 1.049 143 I CA -0.867 60.421 61.300 -0.020 0.000 1.063 143 I CB 1.754 39.836 38.000 0.137 0.000 1.248 143 I HN 0.426 nan 8.210 nan 0.000 0.424 144 I N 5.256 125.745 120.570 -0.134 0.000 2.339 144 I HA 0.347 5.451 4.170 1.556 0.000 0.290 144 I C 0.088 176.031 176.117 -0.289 0.000 0.994 144 I CA -0.480 60.670 61.300 -0.250 0.000 1.191 144 I CB 1.658 39.491 38.000 -0.279 0.000 1.343 144 I HN 0.512 nan 8.210 nan 0.000 0.458 145 K N 5.732 125.889 120.400 -0.405 0.000 2.346 145 K HA 0.658 5.911 4.320 1.556 0.000 0.238 145 K C -1.647 174.656 176.600 -0.496 0.000 1.039 145 K CA -0.514 55.558 56.287 -0.357 0.000 0.861 145 K CB 1.842 34.001 32.500 -0.568 0.000 1.278 145 K HN 0.265 nan 8.250 nan 0.000 0.460 146 F N 0.983 120.996 119.950 0.105 0.000 2.546 146 F HA 0.303 5.763 4.527 1.555 0.000 0.320 146 F C -0.004 175.830 175.800 0.057 0.000 1.076 146 F CA -0.745 57.338 58.000 0.139 0.000 0.928 146 F CB 1.851 41.042 39.000 0.319 0.000 1.189 146 F HN 0.491 nan 8.300 nan 0.000 0.465 147 E N 0.879 121.234 120.200 0.259 0.000 2.417 147 E HA 0.333 5.617 4.350 1.556 0.000 0.261 147 E C 0.821 177.435 176.600 0.024 0.000 1.000 147 E CA 1.023 57.493 56.400 0.116 0.000 0.919 147 E CB 0.412 30.216 29.700 0.174 0.000 0.955 147 E HN 0.930 nan 8.360 nan 0.000 0.455 148 G N 2.573 111.238 108.800 -0.224 0.000 2.195 148 G HA2 -0.286 4.607 3.960 1.556 0.000 0.246 148 G HA3 -0.286 4.607 3.960 1.556 0.000 0.246 148 G C 0.208 174.941 174.900 -0.278 0.000 0.984 148 G CA -0.169 44.656 45.100 -0.457 0.000 0.633 148 G HN 0.598 nan 8.290 nan 0.000 0.525 149 C N 1.117 120.323 119.300 -0.156 0.000 2.347 149 C HA 0.619 6.013 4.460 1.556 0.000 0.353 149 C C 0.279 175.082 174.990 -0.312 0.000 1.273 149 C CA -0.902 57.981 59.018 -0.224 0.000 1.861 149 C CB -0.337 27.345 27.740 -0.097 0.000 2.420 149 C HN 0.367 nan 8.230 nan 0.000 0.542 150 Y N 2.429 122.479 120.300 -0.416 0.000 2.320 150 Y HA 0.376 5.865 4.550 1.565 0.000 0.334 150 Y C 0.481 176.188 175.900 -0.321 0.000 1.055 150 Y CA -0.383 57.557 58.100 -0.267 0.000 1.143 150 Y CB 0.377 38.760 38.460 -0.129 0.000 1.193 150 Y HN 0.828 nan 8.280 nan 0.000 0.477 151 H N 3.556 122.464 119.070 -0.269 0.000 2.767 151 H HA 0.466 5.957 4.556 1.560 0.000 0.235 151 H C 0.280 175.302 175.328 -0.511 0.000 1.256 151 H CA -0.165 55.725 56.048 -0.264 0.000 0.957 151 H CB 0.370 30.187 29.762 0.092 0.000 2.117 151 H HN 0.993 nan 8.280 nan 0.000 0.602 152 G N 1.858 110.004 108.800 -1.090 0.000 2.705 152 G HA2 -0.239 4.654 3.960 1.556 0.000 0.686 152 G HA3 -0.239 4.654 3.960 1.556 0.000 0.686 152 G C -0.291 174.495 174.900 -0.191 0.000 1.285 152 G CA -0.684 44.032 45.100 -0.639 0.000 0.800 152 G HN 0.649 nan 8.290 nan 0.000 0.611 153 H N 0.055 119.150 119.070 0.042 0.000 3.460 153 H HA 0.594 6.084 4.556 1.557 0.000 0.238 153 H C 0.507 175.871 175.328 0.060 0.000 1.752 153 H CA 0.499 56.630 56.048 0.138 0.000 1.503 153 H CB -0.721 29.132 29.762 0.152 0.000 1.830 153 H HN 1.286 nan 8.280 nan 0.000 0.614 154 A N 2.223 125.021 122.820 -0.036 0.000 2.299 154 A HA 0.276 5.529 4.320 1.556 0.000 0.332 154 A C 0.452 178.058 177.584 0.037 0.000 1.131 154 A CA -0.631 51.362 52.037 -0.072 0.000 0.844 154 A CB 1.100 20.017 19.000 -0.138 0.000 1.251 154 A HN 0.435 nan 8.150 nan 0.000 0.486 155 D N 0.343 120.754 120.400 0.018 0.000 2.081 155 D HA -0.145 5.429 4.640 1.556 0.000 0.194 155 D C 1.860 178.215 176.300 0.093 0.000 0.986 155 D CA 1.763 55.792 54.000 0.049 0.000 0.837 155 D CB -0.154 40.660 40.800 0.024 0.000 0.985 155 D HN 0.449 nan 8.370 nan 0.000 0.448 156 M N -0.446 119.216 119.600 0.103 0.000 2.260 156 M HA -0.133 5.280 4.480 1.556 0.000 0.261 156 M C 1.009 177.546 176.300 0.394 0.000 1.066 156 M CA 1.107 56.525 55.300 0.195 0.000 1.082 156 M CB -0.524 32.181 32.600 0.176 0.000 1.388 156 M HN 0.071 nan 8.290 nan 0.000 0.419 157 F N -0.881 119.066 119.950 -0.004 0.000 2.678 157 F HA 0.232 5.692 4.527 1.555 0.000 0.305 157 F C 0.976 176.804 175.800 0.046 0.000 1.090 157 F CA -0.661 57.355 58.000 0.026 0.000 1.272 157 F CB -0.008 39.018 39.000 0.044 0.000 1.060 157 F HN -0.118 nan 8.300 nan 0.000 0.576 158 L N 1.920 123.244 121.223 0.168 0.000 2.437 158 L HA 0.228 5.502 4.340 1.556 0.000 0.243 158 L C -0.333 176.563 176.870 0.044 0.000 1.346 158 L CA 0.259 55.167 54.840 0.113 0.000 1.233 158 L CB -0.466 41.658 42.059 0.107 0.000 1.436 158 L HN -0.153 nan 8.230 nan 0.000 0.416 159 V N 3.597 123.511 119.914 -0.000 0.000 2.555 159 V HA 0.331 5.384 4.120 1.556 0.000 0.283 159 V C -0.070 175.987 176.094 -0.062 0.000 1.020 159 V CA -0.624 61.652 62.300 -0.039 0.000 0.883 159 V CB 1.249 33.031 31.823 -0.068 0.000 1.030 159 V HN 0.657 nan 8.190 nan 0.000 0.448 160 K N 3.023 123.397 120.400 -0.043 0.000 3.096 160 K HA -0.166 5.087 4.320 1.556 0.000 0.266 160 K C 0.354 176.889 176.600 -0.108 0.000 1.043 160 K CA 1.220 57.473 56.287 -0.057 0.000 0.758 160 K CB -1.885 30.599 32.500 -0.026 0.000 1.260 160 K HN 1.327 nan 8.250 nan 0.000 0.481 161 A N -0.365 122.406 122.820 -0.081 0.000 2.296 161 A HA 0.783 6.037 4.320 1.556 0.000 0.276 161 A C 1.213 178.699 177.584 -0.164 0.000 1.356 161 A CA 0.219 52.225 52.037 -0.052 0.000 0.825 161 A CB 0.108 19.178 19.000 0.117 0.000 1.308 161 A HN 0.447 nan 8.150 nan 0.000 0.515 162 G N -2.527 106.226 108.800 -0.079 0.000 2.890 162 G HA2 0.565 5.458 3.960 1.556 0.000 0.189 162 G HA3 0.565 5.458 3.960 1.556 0.000 0.189 162 G C 0.643 175.341 174.900 -0.337 0.000 1.342 162 G CA 1.135 46.111 45.100 -0.207 0.000 1.026 162 G HN 2.353 nan 8.290 nan 0.000 0.579 163 S N -1.880 113.615 115.700 -0.342 0.000 4.139 163 S HA -0.270 5.133 4.470 1.556 0.000 0.603 163 S C 2.098 176.493 174.600 -0.342 0.000 1.897 163 S CA 1.987 59.917 58.200 -0.450 0.000 4.241 163 S CB -1.701 60.920 63.200 -0.965 0.000 0.221 163 S HN 2.142 nan 8.310 nan 0.000 0.488 164 G N 1.058 109.622 108.800 -0.393 0.000 2.421 164 G HA2 0.206 5.099 3.960 1.556 0.000 0.217 164 G HA3 0.206 5.099 3.960 1.556 0.000 0.217 164 G C 1.493 176.281 174.900 -0.186 0.000 1.143 164 G CA 1.209 46.164 45.100 -0.241 0.000 0.784 164 G HN 1.021 nan 8.290 nan 0.000 0.541 165 V N 1.490 121.274 119.914 -0.216 0.000 2.233 165 V HA -0.023 5.031 4.120 1.556 0.000 0.247 165 V C 2.388 178.364 176.094 -0.197 0.000 1.050 165 V CA 1.692 63.897 62.300 -0.159 0.000 1.010 165 V CB -0.711 31.032 31.823 -0.132 0.000 0.637 165 V HN 0.402 nan 8.190 nan 0.000 0.444 166 A N -1.019 121.621 122.820 -0.299 0.000 3.091 166 A HA 0.503 5.756 4.320 1.556 0.000 0.264 166 A C 0.811 178.220 177.584 -0.292 0.000 1.673 166 A CA 0.766 52.538 52.037 -0.442 0.000 1.362 166 A CB -0.190 18.355 19.000 -0.758 0.000 1.137 166 A HN 0.484 nan 8.150 nan 0.000 0.617 167 T N -0.297 114.132 114.554 -0.208 0.000 3.870 167 T HA 0.021 5.305 4.350 1.556 0.000 0.278 167 T C 0.536 175.262 174.700 0.043 0.000 0.880 167 T CA 0.628 62.756 62.100 0.047 0.000 1.182 167 T CB -0.558 68.332 68.868 0.037 0.000 1.010 167 T HN 0.590 nan 8.240 nan 0.000 0.424 168 L N 1.199 122.413 121.223 -0.015 0.000 2.728 168 L HA 0.777 6.050 4.340 1.556 0.000 0.235 168 L C 1.138 177.999 176.870 -0.015 0.000 1.197 168 L CA 0.173 55.016 54.840 0.005 0.000 0.992 168 L CB -0.613 41.450 42.059 0.006 0.000 1.263 168 L HN 0.468 nan 8.230 nan 0.000 0.484 169 G N 0.281 109.053 108.800 -0.047 0.000 2.249 169 G HA2 -0.250 4.644 3.960 1.556 0.000 0.273 169 G HA3 -0.250 4.644 3.960 1.556 0.000 0.273 169 G C 0.026 174.910 174.900 -0.027 0.000 1.036 169 G CA 0.344 45.421 45.100 -0.039 0.000 0.824 169 G HN 0.387 nan 8.290 nan 0.000 0.504 170 L N 1.166 122.366 121.223 -0.038 0.000 2.410 170 L HA 0.370 5.644 4.340 1.556 0.000 0.273 170 L C -0.387 176.469 176.870 -0.022 0.000 1.152 170 L CA -0.911 53.912 54.840 -0.029 0.000 0.855 170 L CB 0.599 42.634 42.059 -0.040 0.000 1.129 170 L HN 0.181 nan 8.230 nan 0.000 0.463 171 P HA 0.199 nan 4.420 nan 0.000 0.341 171 P C -0.605 176.693 177.300 -0.003 0.000 1.368 171 P CA -0.295 62.803 63.100 -0.004 0.000 0.835 171 P CB 0.420 32.119 31.700 -0.001 0.000 2.010 172 S N -2.438 113.262 115.700 -0.000 0.000 2.654 172 S HA 0.498 5.902 4.470 1.556 0.000 0.283 172 S C 0.779 175.386 174.600 0.010 0.000 1.180 172 S CA 0.409 58.610 58.200 0.002 0.000 1.021 172 S CB 0.918 64.114 63.200 -0.005 0.000 1.018 172 S HN 0.842 nan 8.310 nan 0.000 0.532 173 S N 1.058 116.769 115.700 0.019 0.000 2.858 173 S HA -0.112 5.291 4.470 1.556 0.000 0.251 173 S C -2.437 172.183 174.600 0.034 0.000 1.305 173 S CA 0.823 59.037 58.200 0.024 0.000 2.860 173 S CB -2.810 60.400 63.200 0.016 0.000 0.782 173 S HN 0.866 nan 8.310 nan 0.000 0.478 174 P HA -0.026 nan 4.420 nan 0.000 0.014 174 P C 0.591 177.916 177.300 0.041 0.000 0.516 174 P CA 2.623 65.743 63.100 0.034 0.000 1.034 174 P CB -1.738 29.985 31.700 0.040 0.000 1.907 175 G N -1.736 107.083 108.800 0.032 0.000 2.213 175 G HA2 -0.219 4.675 3.960 1.556 0.000 0.236 175 G HA3 -0.219 4.675 3.960 1.556 0.000 0.236 175 G C 0.068 174.987 174.900 0.031 0.000 0.991 175 G CA -0.082 45.037 45.100 0.033 0.000 0.629 175 G HN 0.942 nan 8.290 nan 0.000 0.517 176 V N -0.864 119.070 119.914 0.033 0.000 2.435 176 V HA 0.872 5.926 4.120 1.556 0.000 0.290 176 V C -1.933 174.174 176.094 0.022 0.000 1.030 176 V CA -2.261 60.057 62.300 0.030 0.000 0.881 176 V CB 1.886 33.733 31.823 0.041 0.000 0.983 176 V HN 0.054 nan 8.190 nan 0.000 0.445 177 P HA 0.440 nan 4.420 nan 0.000 0.279 177 P C -0.141 177.164 177.300 0.009 0.000 1.282 177 P CA -0.535 62.572 63.100 0.012 0.000 0.788 177 P CB 0.597 32.303 31.700 0.010 0.000 1.139 178 K N -0.252 120.151 120.400 0.005 0.000 2.439 178 K HA -0.032 5.222 4.320 1.556 0.000 0.197 178 K C 1.232 177.832 176.600 -0.000 0.000 1.041 178 K CA 1.204 57.492 56.287 0.001 0.000 0.970 178 K CB -0.362 32.136 32.500 -0.002 0.000 0.773 178 K HN 0.336 nan 8.250 nan 0.000 0.479 179 K N -0.148 120.254 120.400 0.003 0.000 2.418 179 K HA 0.018 5.272 4.320 1.556 0.000 0.195 179 K C 1.450 178.053 176.600 0.005 0.000 1.035 179 K CA 1.275 57.563 56.287 0.002 0.000 1.003 179 K CB 0.297 32.798 32.500 0.002 0.000 0.793 179 K HN 0.314 nan 8.250 nan 0.000 0.494 180 T N -1.760 112.800 114.554 0.011 0.000 3.053 180 T HA -0.068 5.216 4.350 1.556 0.000 0.236 180 T C 1.591 176.305 174.700 0.024 0.000 0.996 180 T CA 0.384 62.496 62.100 0.020 0.000 1.185 180 T CB -0.534 68.350 68.868 0.027 0.000 0.892 180 T HN 0.049 nan 8.240 nan 0.000 0.432 181 T N 0.784 115.349 114.554 0.019 0.000 4.320 181 T HA 0.720 6.004 4.350 1.556 0.000 0.221 181 T C 0.794 175.487 174.700 -0.012 0.000 0.896 181 T CA -0.024 62.080 62.100 0.007 0.000 0.928 181 T CB -0.257 68.613 68.868 0.003 0.000 1.369 181 T HN 0.579 nan 8.240 nan 0.000 0.836 182 A N 1.336 124.149 122.820 -0.011 0.000 2.591 182 A HA 0.284 5.538 4.320 1.556 0.000 0.204 182 A C 1.601 179.168 177.584 -0.028 0.000 1.410 182 A CA -0.497 51.527 52.037 -0.022 0.000 1.065 182 A CB 0.386 19.377 19.000 -0.016 0.000 1.362 182 A HN 0.477 nan 8.150 nan 0.000 0.566 183 N N 1.545 120.235 118.700 -0.017 0.000 2.270 183 N HA 0.053 5.727 4.740 1.556 0.000 0.198 183 N C -0.367 175.130 175.510 -0.022 0.000 1.117 183 N CA 0.996 54.035 53.050 -0.019 0.000 0.845 183 N CB 0.726 39.212 38.487 -0.001 0.000 0.980 183 N HN 0.547 nan 8.380 nan 0.000 0.486 184 T N -0.622 113.908 114.554 -0.039 0.000 2.833 184 T HA 0.423 5.707 4.350 1.556 0.000 0.297 184 T C -0.242 174.377 174.700 -0.134 0.000 1.015 184 T CA -0.816 61.234 62.100 -0.083 0.000 0.963 184 T CB 1.529 70.335 68.868 -0.103 0.000 0.955 184 T HN -0.256 nan 8.240 nan 0.000 0.449 185 L N 3.063 124.189 121.223 -0.161 0.000 2.375 185 L HA 0.631 5.905 4.340 1.556 0.000 0.271 185 L C 0.757 177.501 176.870 -0.209 0.000 1.107 185 L CA -0.062 54.678 54.840 -0.167 0.000 0.806 185 L CB 0.936 42.887 42.059 -0.180 0.000 1.146 185 L HN 0.808 nan 8.230 nan 0.000 0.447 186 T N 0.917 115.371 114.554 -0.167 0.000 2.861 186 T HA 0.648 5.932 4.350 1.556 0.000 0.287 186 T C -0.075 174.563 174.700 -0.104 0.000 1.003 186 T CA -0.536 61.466 62.100 -0.163 0.000 0.977 186 T CB 2.021 70.822 68.868 -0.111 0.000 0.996 186 T HN 0.764 nan 8.240 nan 0.000 0.448 187 T N 1.600 116.102 114.554 -0.087 0.000 2.883 187 T HA 0.679 5.962 4.350 1.556 0.000 0.296 187 T C -3.124 171.737 174.700 0.268 0.000 1.117 187 T CA -2.458 59.678 62.100 0.059 0.000 1.006 187 T CB 1.680 70.576 68.868 0.047 0.000 1.191 187 T HN 0.184 nan 8.240 nan 0.000 0.508 188 P HA 0.236 nan 4.420 nan 0.000 0.280 188 P C -1.174 176.305 177.300 0.298 0.000 1.244 188 P CA -0.367 62.879 63.100 0.245 0.000 0.784 188 P CB -0.006 31.761 31.700 0.111 0.000 0.913 189 Y N 3.677 124.046 120.300 0.114 0.000 2.712 189 Y HA -0.122 5.365 4.550 1.560 0.000 0.333 189 Y C 1.365 177.025 175.900 -0.399 0.000 1.225 189 Y CA 1.275 59.269 58.100 -0.176 0.000 1.499 189 Y CB -0.533 37.850 38.460 -0.128 0.000 1.288 189 Y HN 0.632 nan 8.280 nan 0.000 0.575 190 N N 1.143 118.863 118.700 -1.635 0.000 2.965 190 N HA -0.273 5.401 4.740 1.556 0.000 0.232 190 N C -1.069 173.853 175.510 -0.980 0.000 0.913 190 N CA 0.924 52.899 53.050 -1.790 0.000 0.981 190 N CB -0.791 37.166 38.487 -0.883 0.000 1.077 190 N HN 0.613 nan 8.380 nan 0.000 0.589 191 D N 1.442 121.560 120.400 -0.470 0.000 2.522 191 D HA 0.079 5.653 4.640 1.556 0.000 0.218 191 D C 1.162 177.510 176.300 0.079 0.000 1.149 191 D CA -0.249 53.671 54.000 -0.133 0.000 0.981 191 D CB 0.325 41.120 40.800 -0.008 0.000 1.041 191 D HN 0.179 nan 8.370 nan 0.000 0.518 192 L N 2.564 123.845 121.223 0.096 0.000 2.081 192 L HA -0.163 5.111 4.340 1.556 0.000 0.212 192 L C 1.685 178.651 176.870 0.160 0.000 1.080 192 L CA 1.602 56.599 54.840 0.261 0.000 0.754 192 L CB -0.055 42.139 42.059 0.225 0.000 0.893 192 L HN 0.373 nan 8.230 nan 0.000 0.433 193 E N -0.242 120.012 120.200 0.089 0.000 2.106 193 E HA -0.117 5.167 4.350 1.556 0.000 0.192 193 E C 2.157 178.807 176.600 0.083 0.000 0.984 193 E CA 1.173 57.613 56.400 0.067 0.000 0.806 193 E CB -0.162 29.557 29.700 0.031 0.000 0.750 193 E HN 0.511 nan 8.360 nan 0.000 0.458 194 A N 1.151 124.028 122.820 0.094 0.000 1.969 194 A HA -0.096 5.157 4.320 1.556 0.000 0.218 194 A C 2.570 180.225 177.584 0.119 0.000 1.169 194 A CA 1.088 53.181 52.037 0.092 0.000 0.635 194 A CB -0.458 18.598 19.000 0.094 0.000 0.810 194 A HN 0.119 nan 8.150 nan 0.000 0.445 195 V N 0.257 120.282 119.914 0.185 0.000 2.270 195 V HA -0.247 4.806 4.120 1.556 0.000 0.245 195 V C 2.388 178.633 176.094 0.251 0.000 1.043 195 V CA 2.175 64.612 62.300 0.228 0.000 1.014 195 V CB -0.690 31.321 31.823 0.314 0.000 0.645 195 V HN 0.517 nan 8.190 nan 0.000 0.447 196 K N 0.434 120.932 120.400 0.164 0.000 2.074 196 K HA -0.215 5.039 4.320 1.556 0.000 0.209 196 K C 2.315 179.000 176.600 0.141 0.000 1.048 196 K CA 1.607 57.964 56.287 0.116 0.000 0.926 196 K CB -0.498 32.041 32.500 0.065 0.000 0.713 196 K HN 0.483 nan 8.250 nan 0.000 0.444 197 A N 1.783 124.666 122.820 0.106 0.000 1.865 197 A HA -0.170 5.084 4.320 1.556 0.000 0.217 197 A C 2.179 179.802 177.584 0.066 0.000 1.191 197 A CA 1.409 53.491 52.037 0.075 0.000 0.623 197 A CB -0.816 18.213 19.000 0.050 0.000 0.826 197 A HN 0.188 nan 8.150 nan 0.000 0.444 198 L N -2.197 119.056 121.223 0.049 0.000 2.127 198 L HA -0.204 5.069 4.340 1.556 0.000 0.211 198 L C 2.456 179.273 176.870 -0.089 0.000 1.089 198 L CA 1.273 56.090 54.840 -0.038 0.000 0.757 198 L CB -0.508 41.492 42.059 -0.099 0.000 0.899 198 L HN 0.395 nan 8.230 nan 0.000 0.434 199 F N -0.425 119.478 119.950 -0.079 0.000 2.234 199 F HA -0.078 5.382 4.527 1.555 0.000 0.296 199 F C 2.513 178.306 175.800 -0.012 0.000 1.089 199 F CA 1.089 59.019 58.000 -0.116 0.000 1.343 199 F CB -0.338 38.453 39.000 -0.350 0.000 1.040 199 F HN -0.028 nan 8.300 nan 0.000 0.498 200 A N -0.852 122.081 122.820 0.188 0.000 2.016 200 A HA -0.129 5.125 4.320 1.556 0.000 0.217 200 A C 2.073 179.704 177.584 0.079 0.000 1.162 200 A CA 1.327 53.450 52.037 0.144 0.000 0.662 200 A CB -0.574 18.497 19.000 0.119 0.000 0.812 200 A HN 0.400 nan 8.150 nan 0.000 0.450 201 E N -0.145 120.082 120.200 0.046 0.000 2.299 201 E HA -0.039 5.245 4.350 1.556 0.000 0.193 201 E C -0.308 176.288 176.600 -0.008 0.000 0.998 201 E CA 0.337 56.745 56.400 0.013 0.000 0.851 201 E CB 0.068 29.767 29.700 -0.002 0.000 0.795 201 E HN 0.503 nan 8.360 nan 0.000 0.492 202 N N 1.954 120.638 118.700 -0.026 0.000 2.765 202 N HA 0.202 5.875 4.740 1.556 0.000 0.277 202 N C -2.746 172.750 175.510 -0.024 0.000 1.750 202 N CA -0.973 52.047 53.050 -0.049 0.000 0.827 202 N CB 1.762 40.183 38.487 -0.110 0.000 1.200 202 N HN 0.161 nan 8.380 nan 0.000 0.494 203 P HA 0.124 nan 4.420 nan 0.000 0.275 203 P C 0.834 178.170 177.300 0.061 0.000 1.227 203 P CA 0.643 63.795 63.100 0.087 0.000 0.781 203 P CB 1.055 32.811 31.700 0.093 0.000 0.906 204 G N 2.684 111.541 108.800 0.095 0.000 2.168 204 G HA2 -0.258 4.635 3.960 1.556 0.000 0.257 204 G HA3 -0.258 4.635 3.960 1.556 0.000 0.257 204 G C 0.364 175.279 174.900 0.026 0.000 0.997 204 G CA 0.701 45.838 45.100 0.062 0.000 0.708 204 G HN 0.737 nan 8.290 nan 0.000 0.520 205 E N -1.112 119.088 120.200 -0.000 0.000 2.789 205 E HA 0.327 5.611 4.350 1.556 0.000 0.217 205 E C 0.215 176.770 176.600 -0.075 0.000 0.970 205 E CA -0.758 55.622 56.400 -0.032 0.000 1.201 205 E CB 0.545 30.223 29.700 -0.036 0.000 1.069 205 E HN 0.320 nan 8.360 nan 0.000 0.499 206 I N 2.201 122.704 120.570 -0.111 0.000 2.315 206 I HA 0.273 5.377 4.170 1.556 0.000 0.291 206 I C 1.253 177.335 176.117 -0.057 0.000 1.006 206 I CA -0.274 60.905 61.300 -0.202 0.000 1.265 206 I CB 0.991 38.644 38.000 -0.579 0.000 1.387 206 I HN 0.144 nan 8.210 nan 0.000 0.475 207 A N 5.191 127.991 122.820 -0.033 0.000 1.929 207 A HA 0.433 5.686 4.320 1.556 0.000 0.216 207 A C 1.094 178.719 177.584 0.068 0.000 1.176 207 A CA 1.233 53.286 52.037 0.027 0.000 0.628 207 A CB -0.124 18.888 19.000 0.019 0.000 0.816 207 A HN 0.912 nan 8.150 nan 0.000 0.444 208 G N -3.125 105.703 108.800 0.047 0.000 2.317 208 G HA2 0.437 5.331 3.960 1.556 0.000 0.293 208 G HA3 0.437 5.331 3.960 1.556 0.000 0.293 208 G C -1.612 173.339 174.900 0.085 0.000 1.287 208 G CA -0.018 45.148 45.100 0.109 0.000 0.850 208 G HN 0.565 nan 8.290 nan 0.000 0.515 209 V N 0.523 120.519 119.914 0.137 0.000 2.628 209 V HA 0.793 5.846 4.120 1.556 0.000 0.306 209 V C -0.228 175.964 176.094 0.162 0.000 1.045 209 V CA -0.731 61.650 62.300 0.134 0.000 0.905 209 V CB 1.676 33.628 31.823 0.216 0.000 0.997 209 V HN 0.854 nan 8.190 nan 0.000 0.436 210 I N 5.705 126.377 120.570 0.171 0.000 2.582 210 I HA 0.796 5.899 4.170 1.556 0.000 0.292 210 I C -1.352 174.956 176.117 0.319 0.000 1.066 210 I CA -0.640 60.757 61.300 0.162 0.000 1.053 210 I CB 1.723 39.713 38.000 -0.017 0.000 1.241 210 I HN 0.781 nan 8.210 nan 0.000 0.421 211 L N 3.042 124.493 121.223 0.381 0.000 2.838 211 L HA 0.603 5.877 4.340 1.556 0.000 0.266 211 L C -1.644 175.434 176.870 0.347 0.000 1.040 211 L CA -0.956 54.214 54.840 0.550 0.000 0.906 211 L CB 1.989 44.377 42.059 0.548 0.000 1.501 211 L HN 0.494 nan 8.230 nan 0.000 0.407 212 E N 1.604 121.970 120.200 0.276 0.000 2.152 212 E HA 0.240 5.524 4.350 1.556 0.000 0.285 212 E C -1.946 174.622 176.600 -0.053 0.000 1.043 212 E CA -1.644 54.801 56.400 0.076 0.000 0.839 212 E CB 1.430 31.138 29.700 0.013 0.000 1.069 212 E HN 0.472 nan 8.360 nan 0.000 0.399 213 P HA -0.122 nan 4.420 nan 0.000 0.220 213 P C -0.151 177.093 177.300 -0.094 0.000 1.144 213 P CA 1.295 64.132 63.100 -0.438 0.000 0.800 213 P CB 0.364 31.604 31.700 -0.767 0.000 0.772 214 I N -1.073 119.455 120.570 -0.070 0.000 2.610 214 I HA 0.152 5.256 4.170 1.556 0.000 0.289 214 I C -0.505 175.549 176.117 -0.105 0.000 1.163 214 I CA -1.348 59.920 61.300 -0.053 0.000 1.044 214 I CB 3.003 40.993 38.000 -0.018 0.000 1.251 214 I HN -0.367 nan 8.210 nan 0.000 0.424 215 V N 4.433 124.202 119.914 -0.243 0.000 2.546 215 V HA 0.752 5.806 4.120 1.556 0.000 0.284 215 V C 0.590 176.631 176.094 -0.087 0.000 1.050 215 V CA 0.521 62.679 62.300 -0.236 0.000 0.981 215 V CB 1.358 32.889 31.823 -0.488 0.000 0.990 215 V HN 0.947 nan 8.190 nan 0.000 0.474 216 G N 3.564 112.374 108.800 0.017 0.000 3.146 216 G HA2 0.096 4.990 3.960 1.556 0.000 0.238 216 G HA3 0.096 4.990 3.960 1.556 0.000 0.238 216 G C 0.673 175.623 174.900 0.082 0.000 1.022 216 G CA -0.090 45.069 45.100 0.098 0.000 0.880 216 G HN 0.658 nan 8.290 nan 0.000 0.533 217 N N 0.860 119.585 118.700 0.043 0.000 2.322 217 N HA 0.075 5.749 4.740 1.556 0.000 0.194 217 N C 0.391 175.886 175.510 -0.024 0.000 1.126 217 N CA 0.258 53.318 53.050 0.016 0.000 0.845 217 N CB 0.743 39.242 38.487 0.021 0.000 0.976 217 N HN 0.074 nan 8.380 nan 0.000 0.475 218 S N -0.209 115.511 115.700 0.035 0.000 2.977 218 S HA 0.403 5.806 4.470 1.556 0.000 0.250 218 S C 0.435 175.270 174.600 0.392 0.000 1.005 218 S CA -0.203 58.101 58.200 0.173 0.000 1.081 218 S CB 1.366 64.577 63.200 0.018 0.000 1.018 218 S HN 0.534 nan 8.310 nan 0.000 0.539 219 G N 1.888 110.824 108.800 0.227 0.000 2.757 219 G HA2 -0.145 4.749 3.960 1.556 0.000 0.638 219 G HA3 -0.145 4.749 3.960 1.556 0.000 0.638 219 G C -0.794 174.218 174.900 0.187 0.000 1.344 219 G CA -0.971 44.200 45.100 0.119 0.000 0.855 219 G HN 0.359 nan 8.290 nan 0.000 0.537 220 F N 0.933 120.856 119.950 -0.045 0.000 2.444 220 F HA 0.720 6.177 4.527 1.550 0.000 0.360 220 F C 0.606 176.518 175.800 0.187 0.000 1.106 220 F CA -0.874 57.133 58.000 0.011 0.000 1.170 220 F CB 0.190 39.136 39.000 -0.091 0.000 1.113 220 F HN 0.427 nan 8.300 nan 0.000 0.521 221 I N 7.312 127.658 120.570 -0.374 0.000 2.478 221 I HA 0.286 5.390 4.170 1.556 0.000 0.287 221 I C -0.935 174.939 176.117 -0.406 0.000 1.042 221 I CA -1.001 60.118 61.300 -0.300 0.000 1.067 221 I CB 1.800 39.692 38.000 -0.180 0.000 1.233 221 I HN 0.181 nan 8.210 nan 0.000 0.431 222 V N 7.502 127.214 119.914 -0.337 0.000 2.743 222 V HA 0.396 5.450 4.120 1.556 0.000 0.301 222 V C -1.899 174.233 176.094 0.063 0.000 1.057 222 V CA -1.447 60.757 62.300 -0.160 0.000 1.006 222 V CB 1.433 33.186 31.823 -0.117 0.000 1.024 222 V HN 0.586 nan 8.190 nan 0.000 0.473 223 P HA 0.254 nan 4.420 nan 0.000 0.277 223 P C -1.033 176.289 177.300 0.036 0.000 1.240 223 P CA -0.482 62.700 63.100 0.137 0.000 0.798 223 P CB 0.868 32.730 31.700 0.271 0.000 0.979 224 D N 0.343 120.729 120.400 -0.024 0.000 2.358 224 D HA 0.195 5.768 4.640 1.556 0.000 0.244 224 D C 1.636 177.938 176.300 0.004 0.000 1.163 224 D CA -0.169 53.823 54.000 -0.013 0.000 0.945 224 D CB 0.475 41.249 40.800 -0.043 0.000 1.152 224 D HN 0.354 nan 8.370 nan 0.000 0.451 225 A N 1.669 124.479 122.820 -0.016 0.000 1.827 225 A HA -0.239 5.014 4.320 1.556 0.000 0.262 225 A C 1.569 179.147 177.584 -0.009 0.000 2.408 225 A CA 2.792 54.813 52.037 -0.026 0.000 0.827 225 A CB -1.140 17.849 19.000 -0.017 0.000 0.840 225 A HN 0.647 nan 8.150 nan 0.000 0.513 226 G N -3.737 105.080 108.800 0.030 0.000 4.432 226 G HA2 0.409 5.303 3.960 1.556 0.000 0.294 226 G HA3 0.409 5.303 3.960 1.556 0.000 0.294 226 G C 0.441 175.407 174.900 0.110 0.000 1.141 226 G CA 0.628 45.756 45.100 0.046 0.000 0.895 226 G HN 0.350 nan 8.290 nan 0.000 0.548 227 F N 1.343 121.254 119.950 -0.066 0.000 2.039 227 F HA 0.093 5.554 4.527 1.556 0.000 0.294 227 F C 2.296 178.075 175.800 -0.036 0.000 1.130 227 F CA 1.109 59.056 58.000 -0.088 0.000 1.189 227 F CB -0.293 38.599 39.000 -0.181 0.000 0.983 227 F HN 0.101 nan 8.300 nan 0.000 0.471 228 L N -0.023 121.123 121.223 -0.129 0.000 2.042 228 L HA -0.231 5.043 4.340 1.556 0.000 0.210 228 L C 2.296 179.140 176.870 -0.043 0.000 1.076 228 L CA 1.757 56.514 54.840 -0.138 0.000 0.749 228 L CB -0.900 41.223 42.059 0.106 0.000 0.893 228 L HN 0.127 nan 8.230 nan 0.000 0.432 229 E N 0.334 120.536 120.200 0.004 0.000 2.110 229 E HA -0.149 5.135 4.350 1.556 0.000 0.193 229 E C 2.221 178.808 176.600 -0.021 0.000 0.988 229 E CA 1.199 57.604 56.400 0.008 0.000 0.804 229 E CB -0.451 29.260 29.700 0.019 0.000 0.745 229 E HN 0.486 nan 8.360 nan 0.000 0.458 230 G N 0.652 109.432 108.800 -0.032 0.000 2.433 230 G HA2 -0.238 4.656 3.960 1.556 0.000 0.216 230 G HA3 -0.238 4.656 3.960 1.556 0.000 0.216 230 G C 1.525 176.380 174.900 -0.075 0.000 1.186 230 G CA 0.660 45.741 45.100 -0.030 0.000 0.779 230 G HN 0.145 nan 8.290 nan 0.000 0.543 231 L N 0.085 121.219 121.223 -0.150 0.000 2.042 231 L HA -0.127 5.147 4.340 1.556 0.000 0.210 231 L C 2.943 179.772 176.870 -0.068 0.000 1.076 231 L CA 1.446 56.211 54.840 -0.125 0.000 0.749 231 L CB -0.383 41.563 42.059 -0.188 0.000 0.893 231 L HN 0.170 nan 8.230 nan 0.000 0.432 232 R N 0.723 121.194 120.500 -0.048 0.000 2.091 232 R HA -0.214 5.059 4.340 1.556 0.000 0.238 232 R C 2.048 178.319 176.300 -0.048 0.000 1.136 232 R CA 1.959 58.034 56.100 -0.042 0.000 0.959 232 R CB -0.616 29.663 30.300 -0.036 0.000 0.856 232 R HN 0.454 nan 8.270 nan 0.000 0.437 233 E N -0.225 119.947 120.200 -0.047 0.000 2.047 233 E HA -0.158 5.125 4.350 1.556 0.000 0.191 233 E C 2.092 178.655 176.600 -0.062 0.000 0.987 233 E CA 1.370 57.744 56.400 -0.043 0.000 0.799 233 E CB -0.248 29.433 29.700 -0.031 0.000 0.752 233 E HN 0.477 nan 8.360 nan 0.000 0.449 234 I N 1.192 121.695 120.570 -0.111 0.000 2.226 234 I HA -0.264 4.840 4.170 1.556 0.000 0.245 234 I C 2.469 178.413 176.117 -0.288 0.000 1.100 234 I CA 2.037 63.210 61.300 -0.211 0.000 1.374 234 I CB -0.318 37.476 38.000 -0.342 0.000 1.057 234 I HN 0.248 nan 8.210 nan 0.000 0.413 235 T N -0.291 114.115 114.554 -0.246 0.000 2.788 235 T HA -0.194 5.089 4.350 1.556 0.000 0.268 235 T C 1.978 176.680 174.700 0.002 0.000 1.044 235 T CA 1.421 63.445 62.100 -0.128 0.000 1.139 235 T CB -0.898 67.974 68.868 0.007 0.000 0.867 235 T HN 0.389 nan 8.240 nan 0.000 0.454 236 L N 0.908 122.126 121.223 -0.009 0.000 1.989 236 L HA -0.128 5.146 4.340 1.556 0.000 0.211 236 L C 3.072 179.955 176.870 0.023 0.000 1.071 236 L CA 1.966 56.812 54.840 0.011 0.000 0.749 236 L CB -0.562 41.492 42.059 -0.010 0.000 0.890 236 L HN 0.367 nan 8.230 nan 0.000 0.431 237 E N -1.058 119.154 120.200 0.020 0.000 2.267 237 E HA -0.240 5.044 4.350 1.556 0.000 0.197 237 E C 1.290 177.820 176.600 -0.118 0.000 0.998 237 E CA 1.101 57.482 56.400 -0.032 0.000 0.830 237 E CB -0.034 29.643 29.700 -0.039 0.000 0.751 237 E HN 0.619 nan 8.360 nan 0.000 0.491 238 H N -0.538 118.500 119.070 -0.052 0.000 2.652 238 H HA 0.111 5.601 4.556 1.557 0.000 0.274 238 H C -0.436 174.937 175.328 0.075 0.000 1.021 238 H CA -0.162 55.906 56.048 0.033 0.000 1.187 238 H CB 0.582 30.404 29.762 0.100 0.000 1.505 238 H HN -0.019 nan 8.280 nan 0.000 0.530 239 D N 0.059 120.541 120.400 0.137 0.000 2.746 239 D HA -0.142 5.431 4.640 1.556 0.000 0.236 239 D C -0.154 176.236 176.300 0.150 0.000 1.129 239 D CA 0.924 54.990 54.000 0.110 0.000 0.691 239 D CB -1.131 39.709 40.800 0.067 0.000 1.077 239 D HN 0.513 nan 8.370 nan 0.000 0.432 240 A N -0.008 122.924 122.820 0.186 0.000 2.337 240 A HA 0.670 5.924 4.320 1.556 0.000 0.331 240 A C -0.173 177.501 177.584 0.151 0.000 1.137 240 A CA -0.601 51.561 52.037 0.207 0.000 0.807 240 A CB 1.271 20.484 19.000 0.354 0.000 1.250 240 A HN 0.081 nan 8.150 nan 0.000 0.468 241 L N 1.266 122.571 121.223 0.136 0.000 2.312 241 L HA 0.394 5.668 4.340 1.556 0.000 0.281 241 L C 0.028 176.939 176.870 0.069 0.000 1.070 241 L CA -0.140 54.750 54.840 0.083 0.000 0.805 241 L CB 1.058 43.157 42.059 0.068 0.000 1.174 241 L HN 0.655 nan 8.230 nan 0.000 0.434 242 L N 4.205 125.440 121.223 0.021 0.000 2.272 242 L HA 0.551 5.824 4.340 1.556 0.000 0.289 242 L C -1.049 175.816 176.870 -0.007 0.000 1.032 242 L CA -0.475 54.381 54.840 0.028 0.000 0.810 242 L CB 1.507 43.547 42.059 -0.032 0.000 1.205 242 L HN 0.285 nan 8.230 nan 0.000 0.422 243 V N 5.312 125.281 119.914 0.093 0.000 2.448 243 V HA 0.409 5.463 4.120 1.556 0.000 0.295 243 V C -0.522 175.764 176.094 0.321 0.000 1.025 243 V CA -0.560 61.797 62.300 0.095 0.000 0.859 243 V CB 1.826 33.667 31.823 0.031 0.000 0.988 243 V HN 0.418 nan 8.190 nan 0.000 0.431 244 F N 2.857 122.810 119.950 0.005 0.000 2.404 244 F HA 0.383 5.845 4.527 1.559 0.000 0.354 244 F C 0.458 176.273 175.800 0.026 0.000 1.122 244 F CA -1.618 56.398 58.000 0.028 0.000 1.080 244 F CB 1.279 40.279 39.000 0.001 0.000 1.131 244 F HN 0.494 nan 8.300 nan 0.000 0.471 245 D N 3.917 124.444 120.400 0.213 0.000 2.422 245 D HA 0.069 5.643 4.640 1.556 0.000 0.227 245 D C 0.212 176.587 176.300 0.125 0.000 1.190 245 D CA 0.160 54.259 54.000 0.164 0.000 0.905 245 D CB 0.338 41.306 40.800 0.280 0.000 1.034 245 D HN 0.580 nan 8.370 nan 0.000 0.507 246 E N 2.699 122.955 120.200 0.093 0.000 2.423 246 E HA 0.049 5.332 4.350 1.556 0.000 0.198 246 E C 1.556 178.186 176.600 0.050 0.000 1.038 246 E CA -0.132 56.295 56.400 0.045 0.000 1.011 246 E CB 0.953 30.651 29.700 -0.003 0.000 1.118 246 E HN 0.325 nan 8.360 nan 0.000 0.451 247 V N 0.885 120.850 119.914 0.084 0.000 2.469 247 V HA -0.261 4.793 4.120 1.556 0.000 0.251 247 V C 2.113 178.279 176.094 0.119 0.000 1.064 247 V CA 1.823 64.183 62.300 0.101 0.000 1.066 247 V CB -0.283 31.600 31.823 0.099 0.000 0.667 247 V HN 0.396 nan 8.190 nan 0.000 0.461 248 M N -0.294 119.383 119.600 0.129 0.000 2.730 248 M HA -0.045 5.369 4.480 1.556 0.000 0.258 248 M C 2.216 178.611 176.300 0.159 0.000 1.279 248 M CA 1.363 56.760 55.300 0.162 0.000 1.183 248 M CB 0.246 32.987 32.600 0.235 0.000 1.291 248 M HN 0.482 nan 8.290 nan 0.000 0.518 249 T N -1.374 113.248 114.554 0.113 0.000 2.942 249 T HA 0.137 5.421 4.350 1.556 0.000 0.265 249 T C 1.228 175.937 174.700 0.015 0.000 1.062 249 T CA 0.525 62.673 62.100 0.080 0.000 1.139 249 T CB -1.246 67.632 68.868 0.016 0.000 0.883 249 T HN 0.423 nan 8.240 nan 0.000 0.468 250 G N 0.632 109.401 108.800 -0.051 0.000 2.265 250 G HA2 0.323 5.216 3.960 1.556 0.000 0.240 250 G HA3 0.323 5.216 3.960 1.556 0.000 0.240 250 G C -0.049 174.768 174.900 -0.138 0.000 1.270 250 G CA -0.418 44.524 45.100 -0.263 0.000 0.901 250 G HN 0.362 nan 8.290 nan 0.000 0.507 251 F N -0.661 119.299 119.950 0.017 0.000 2.825 251 F HA -0.250 5.210 4.527 1.555 0.000 0.358 251 F C 1.851 177.817 175.800 0.276 0.000 0.639 251 F CA 1.497 59.562 58.000 0.109 0.000 1.153 251 F CB -1.267 37.778 39.000 0.074 0.000 1.610 251 F HN 0.603 nan 8.300 nan 0.000 0.305 252 R N 0.132 120.817 120.500 0.308 0.000 2.144 252 R HA 0.249 5.522 4.340 1.556 0.000 0.195 252 R C 2.016 178.504 176.300 0.313 0.000 1.077 252 R CA 0.504 56.822 56.100 0.364 0.000 1.120 252 R CB 0.086 30.550 30.300 0.274 0.000 1.060 252 R HN 0.173 nan 8.270 nan 0.000 0.520 253 I N 1.373 122.020 120.570 0.129 0.000 2.315 253 I HA 0.043 5.147 4.170 1.556 0.000 0.248 253 I C 0.992 177.031 176.117 -0.129 0.000 1.117 253 I CA 1.129 62.453 61.300 0.041 0.000 1.404 253 I CB -0.708 37.264 38.000 -0.046 0.000 1.071 253 I HN 0.315 nan 8.210 nan 0.000 0.419 254 A N -1.974 120.660 122.820 -0.311 0.000 2.564 254 A HA 0.324 5.577 4.320 1.556 0.000 0.291 254 A C 0.055 177.311 177.584 -0.548 0.000 1.102 254 A CA -0.533 51.100 52.037 -0.674 0.000 0.660 254 A CB -0.084 18.711 19.000 -0.341 0.000 1.283 254 A HN 0.044 nan 8.150 nan 0.000 0.430 255 Y N 0.539 120.487 120.300 -0.587 0.000 2.242 255 Y HA 0.122 5.605 4.550 1.556 0.000 0.291 255 Y C 1.944 177.812 175.900 -0.053 0.000 1.137 255 Y CA 2.738 60.827 58.100 -0.019 0.000 1.181 255 Y CB 0.033 38.575 38.460 0.137 0.000 0.989 255 Y HN 0.685 nan 8.280 nan 0.000 0.527 256 G N -0.614 108.113 108.800 -0.122 0.000 3.434 256 G HA2 0.421 5.315 3.960 1.556 0.000 0.258 256 G HA3 0.421 5.315 3.960 1.556 0.000 0.258 256 G C 0.630 175.374 174.900 -0.260 0.000 1.128 256 G CA 0.243 45.213 45.100 -0.217 0.000 0.792 256 G HN 0.782 nan 8.290 nan 0.000 0.539 257 G N -0.572 108.049 108.800 -0.299 0.000 2.698 257 G HA2 -0.233 4.661 3.960 1.556 0.000 0.233 257 G HA3 -0.233 4.661 3.960 1.556 0.000 0.233 257 G C 1.022 175.794 174.900 -0.212 0.000 1.352 257 G CA -0.183 44.769 45.100 -0.247 0.000 0.879 257 G HN 0.612 nan 8.290 nan 0.000 0.567 258 V N 1.483 121.271 119.914 -0.210 0.000 2.490 258 V HA -0.252 4.802 4.120 1.556 0.000 0.250 258 V C 3.038 179.024 176.094 -0.181 0.000 1.061 258 V CA 3.179 65.267 62.300 -0.354 0.000 1.064 258 V CB -0.873 30.739 31.823 -0.351 0.000 0.670 258 V HN 0.851 nan 8.190 nan 0.000 0.461 259 Q N 0.717 120.550 119.800 0.055 0.000 2.181 259 Q HA -0.290 4.984 4.340 1.556 0.000 0.205 259 Q C 2.118 178.138 176.000 0.034 0.000 0.980 259 Q CA 2.170 58.054 55.803 0.135 0.000 0.862 259 Q CB -0.413 28.371 28.738 0.076 0.000 0.905 259 Q HN 0.794 nan 8.270 nan 0.000 0.429 260 E N 1.311 121.491 120.200 -0.033 0.000 2.051 260 E HA -0.181 5.103 4.350 1.556 0.000 0.189 260 E C 1.990 178.591 176.600 0.002 0.000 0.979 260 E CA 0.890 57.278 56.400 -0.019 0.000 0.803 260 E CB 0.115 29.789 29.700 -0.042 0.000 0.761 260 E HN 0.177 nan 8.360 nan 0.000 0.451 261 K N -0.205 120.150 120.400 -0.075 0.000 2.063 261 K HA -0.125 5.128 4.320 1.556 0.000 0.208 261 K C 1.182 177.948 176.600 0.276 0.000 1.048 261 K CA 1.448 57.719 56.287 -0.026 0.000 0.928 261 K CB -0.142 32.195 32.500 -0.271 0.000 0.713 261 K HN 0.167 nan 8.250 nan 0.000 0.442 262 F N -0.523 119.461 119.950 0.057 0.000 2.678 262 F HA 0.388 5.848 4.527 1.554 0.000 0.305 262 F C 1.242 177.078 175.800 0.061 0.000 1.090 262 F CA -0.289 57.748 58.000 0.062 0.000 1.272 262 F CB -0.054 38.990 39.000 0.074 0.000 1.060 262 F HN 0.219 nan 8.300 nan 0.000 0.576 263 G N 1.228 110.159 108.800 0.218 0.000 2.225 263 G HA2 -0.245 4.649 3.960 1.556 0.000 0.267 263 G HA3 -0.245 4.649 3.960 1.556 0.000 0.267 263 G C -0.151 174.814 174.900 0.109 0.000 1.024 263 G CA 0.393 45.571 45.100 0.130 0.000 0.784 263 G HN 0.188 nan 8.290 nan 0.000 0.507 264 V N 0.745 120.747 119.914 0.146 0.000 2.384 264 V HA 0.566 5.620 4.120 1.556 0.000 0.287 264 V C 0.435 176.509 176.094 -0.033 0.000 1.020 264 V CA -0.290 62.065 62.300 0.093 0.000 0.850 264 V CB 1.822 33.767 31.823 0.203 0.000 0.987 264 V HN 0.277 nan 8.190 nan 0.000 0.436 265 T N 8.103 122.586 114.554 -0.119 0.000 2.738 265 T HA 0.385 5.669 4.350 1.556 0.000 0.298 265 T C -2.098 172.393 174.700 -0.349 0.000 0.962 265 T CA -0.824 61.147 62.100 -0.216 0.000 0.972 265 T CB 1.432 70.226 68.868 -0.124 0.000 0.928 265 T HN 0.540 nan 8.240 nan 0.000 0.474 266 P HA 0.339 nan 4.420 nan 0.000 0.289 266 P C -0.043 177.081 177.300 -0.294 0.000 1.299 266 P CA -0.378 62.381 63.100 -0.569 0.000 0.766 266 P CB 1.256 32.412 31.700 -0.907 0.000 1.226 267 D N -1.325 118.948 120.400 -0.211 0.000 2.327 267 D HA 0.149 5.722 4.640 1.556 0.000 0.205 267 D C 0.238 176.451 176.300 -0.146 0.000 0.989 267 D CA 0.973 54.881 54.000 -0.153 0.000 0.873 267 D CB 0.273 41.005 40.800 -0.115 0.000 0.955 267 D HN 0.066 nan 8.370 nan 0.000 0.515 268 L N -0.149 120.995 121.223 -0.132 0.000 2.518 268 L HA 0.342 5.616 4.340 1.556 0.000 0.257 268 L C -0.260 176.574 176.870 -0.059 0.000 0.980 268 L CA -0.611 54.175 54.840 -0.089 0.000 0.837 268 L CB 1.919 43.939 42.059 -0.066 0.000 1.410 268 L HN -0.139 nan 8.230 nan 0.000 0.410 269 T N -1.223 113.314 114.554 -0.027 0.000 2.864 269 T HA 0.887 6.171 4.350 1.556 0.000 0.299 269 T C -0.726 173.993 174.700 0.033 0.000 1.166 269 T CA -0.089 62.022 62.100 0.018 0.000 1.007 269 T CB 2.018 70.889 68.868 0.004 0.000 1.219 269 T HN 0.786 nan 8.240 nan 0.000 0.506 270 T N 1.192 115.776 114.554 0.050 0.000 2.876 270 T HA 0.773 6.056 4.350 1.556 0.000 0.289 270 T C -0.661 174.072 174.700 0.055 0.000 1.014 270 T CA -0.823 61.311 62.100 0.057 0.000 0.986 270 T CB 0.992 69.880 68.868 0.034 0.000 1.021 270 T HN 0.692 nan 8.240 nan 0.000 0.458 271 L N 1.466 122.732 121.223 0.073 0.000 2.309 271 L HA 0.969 6.242 4.340 1.556 0.000 0.261 271 L C 0.621 177.572 176.870 0.135 0.000 1.021 271 L CA -0.901 54.000 54.840 0.101 0.000 0.823 271 L CB 2.222 44.362 42.059 0.135 0.000 1.366 271 L HN 1.110 nan 8.230 nan 0.000 0.423 272 G N -0.787 108.109 108.800 0.160 0.000 2.500 272 G HA2 0.347 5.241 3.960 1.556 0.000 0.299 272 G HA3 0.347 5.241 3.960 1.556 0.000 0.299 272 G C -0.644 174.347 174.900 0.151 0.000 1.242 272 G CA -0.071 45.117 45.100 0.147 0.000 0.859 272 G HN 0.529 nan 8.290 nan 0.000 0.481 273 K N -1.165 119.310 120.400 0.125 0.000 8.933 273 K HA -0.338 4.916 4.320 1.556 0.000 0.433 273 K C 2.077 178.733 176.600 0.095 0.000 0.526 273 K CA 2.489 58.840 56.287 0.106 0.000 1.517 273 K CB -1.260 31.299 32.500 0.098 0.000 0.800 273 K HN 0.348 nan 8.250 nan 0.000 1.082 274 I N 0.937 121.577 120.570 0.117 0.000 2.454 274 I HA -0.189 4.914 4.170 1.556 0.000 0.254 274 I C 2.404 178.534 176.117 0.021 0.000 1.156 274 I CA 1.041 62.394 61.300 0.087 0.000 1.433 274 I CB -0.136 37.963 38.000 0.165 0.000 1.082 274 I HN 0.335 nan 8.210 nan 0.000 0.432 275 I N 0.597 121.212 120.570 0.076 0.000 2.850 275 I HA -0.174 4.930 4.170 1.556 0.000 0.266 275 I C 1.898 178.004 176.117 -0.019 0.000 1.257 275 I CA 1.225 62.517 61.300 -0.013 0.000 1.465 275 I CB -0.139 37.962 38.000 0.170 0.000 1.091 275 I HN 0.214 nan 8.210 nan 0.000 0.467 276 G N -0.667 108.140 108.800 0.011 0.000 3.126 276 G HA2 0.173 5.066 3.960 1.556 0.000 0.224 276 G HA3 0.173 5.066 3.960 1.556 0.000 0.224 276 G C 1.250 176.138 174.900 -0.019 0.000 1.142 276 G CA 0.363 45.459 45.100 -0.006 0.000 0.759 276 G HN 0.515 nan 8.290 nan 0.000 0.550 277 G N -0.413 108.372 108.800 -0.026 0.000 2.225 277 G HA2 0.119 5.013 3.960 1.556 0.000 0.272 277 G HA3 0.119 5.013 3.960 1.556 0.000 0.272 277 G C 1.149 176.055 174.900 0.010 0.000 0.996 277 G CA 1.380 46.465 45.100 -0.024 0.000 0.710 277 G HN 1.843 nan 8.290 nan 0.000 0.522 278 G N -2.844 105.973 108.800 0.029 0.000 2.273 278 G HA2 0.141 5.034 3.960 1.556 0.000 0.162 278 G HA3 0.141 5.034 3.960 1.556 0.000 0.162 278 G C -0.067 174.863 174.900 0.049 0.000 1.006 278 G CA 0.216 45.348 45.100 0.055 0.000 0.704 278 G HN 1.051 nan 8.290 nan 0.000 0.487 279 L N 0.621 121.863 121.223 0.032 0.000 2.319 279 L HA 0.710 5.984 4.340 1.556 0.000 0.267 279 L C -2.242 174.649 176.870 0.034 0.000 1.011 279 L CA -2.276 52.579 54.840 0.025 0.000 0.818 279 L CB 1.652 43.710 42.059 -0.002 0.000 1.316 279 L HN -0.188 nan 8.230 nan 0.000 0.432 280 P HA 0.223 nan 4.420 nan 0.000 0.267 280 P C -1.329 175.997 177.300 0.044 0.000 1.328 280 P CA 0.230 63.358 63.100 0.048 0.000 0.990 280 P CB 0.251 31.979 31.700 0.046 0.000 1.168 281 V N 2.705 122.655 119.914 0.061 0.000 3.012 281 V HA 0.866 5.920 4.120 1.556 0.000 0.307 281 V C 0.288 176.452 176.094 0.117 0.000 1.166 281 V CA -0.557 61.788 62.300 0.076 0.000 0.974 281 V CB 2.543 34.393 31.823 0.045 0.000 1.040 281 V HN 0.578 nan 8.190 nan 0.000 0.428 282 G N 0.973 109.867 108.800 0.158 0.000 2.682 282 G HA2 1.009 5.902 3.960 1.556 0.000 0.290 282 G HA3 1.009 5.902 3.960 1.556 0.000 0.290 282 G C -1.387 173.633 174.900 0.199 0.000 1.425 282 G CA -0.088 45.110 45.100 0.163 0.000 0.807 282 G HN 1.471 nan 8.290 nan 0.000 0.482 283 A N -0.929 121.977 122.820 0.144 0.000 2.608 283 A HA 0.841 6.095 4.320 1.556 0.000 0.292 283 A C -1.776 175.851 177.584 0.070 0.000 1.066 283 A CA -0.643 51.409 52.037 0.025 0.000 0.676 283 A CB 1.320 20.262 19.000 -0.097 0.000 1.277 283 A HN 2.172 nan 8.150 nan 0.000 0.413 284 Y N -0.889 119.322 120.300 -0.148 0.000 2.433 284 Y HA 0.846 6.329 4.550 1.556 0.000 0.337 284 Y C -0.044 175.756 175.900 -0.165 0.000 1.026 284 Y CA -0.451 57.571 58.100 -0.130 0.000 1.037 284 Y CB 1.285 39.677 38.460 -0.113 0.000 1.245 284 Y HN 1.453 nan 8.280 nan 0.000 0.443 285 G N 0.264 109.026 108.800 -0.064 0.000 2.645 285 G HA2 0.747 5.641 3.960 1.556 0.000 0.292 285 G HA3 0.747 5.641 3.960 1.556 0.000 0.292 285 G C -0.883 173.966 174.900 -0.084 0.000 1.415 285 G CA -0.476 44.538 45.100 -0.144 0.000 0.785 285 G HN 1.538 nan 8.290 nan 0.000 0.483 286 G N -1.049 107.686 108.800 -0.108 0.000 2.441 286 G HA2 0.404 5.298 3.960 1.556 0.000 0.225 286 G HA3 0.404 5.298 3.960 1.556 0.000 0.225 286 G C -1.110 173.719 174.900 -0.118 0.000 1.200 286 G CA -0.860 44.174 45.100 -0.110 0.000 0.947 286 G HN 0.621 nan 8.290 nan 0.000 0.484 287 K N 0.610 120.929 120.400 -0.134 0.000 2.436 287 K HA 0.182 5.436 4.320 1.556 0.000 0.275 287 K C 1.509 178.033 176.600 -0.126 0.000 0.999 287 K CA -0.191 56.020 56.287 -0.127 0.000 0.980 287 K CB 1.289 33.703 32.500 -0.143 0.000 0.919 287 K HN 0.513 nan 8.250 nan 0.000 0.484 288 R N 2.241 122.686 120.500 -0.091 0.000 2.094 288 R HA -0.202 5.071 4.340 1.556 0.000 0.239 288 R C 1.875 178.133 176.300 -0.070 0.000 1.137 288 R CA 2.117 58.173 56.100 -0.073 0.000 0.943 288 R CB -0.010 30.261 30.300 -0.047 0.000 0.850 288 R HN 0.733 nan 8.270 nan 0.000 0.433 289 E N 0.437 120.601 120.200 -0.060 0.000 2.209 289 E HA -0.218 5.066 4.350 1.556 0.000 0.196 289 E C 1.927 178.488 176.600 -0.066 0.000 0.993 289 E CA 1.371 57.760 56.400 -0.019 0.000 0.819 289 E CB -0.386 29.341 29.700 0.044 0.000 0.745 289 E HN 0.518 nan 8.360 nan 0.000 0.477 290 I N 0.374 120.791 120.570 -0.255 0.000 2.339 290 I HA -0.142 4.962 4.170 1.556 0.000 0.245 290 I C 2.509 178.535 176.117 -0.151 0.000 1.096 290 I CA 0.613 61.662 61.300 -0.418 0.000 1.408 290 I CB -0.280 37.340 38.000 -0.633 0.000 1.092 290 I HN -0.029 nan 8.210 nan 0.000 0.423 291 M N 0.187 119.717 119.600 -0.117 0.000 2.358 291 M HA -0.198 5.215 4.480 1.556 0.000 0.264 291 M C 2.074 178.353 176.300 -0.035 0.000 1.064 291 M CA 1.394 56.654 55.300 -0.067 0.000 1.093 291 M CB -1.206 31.333 32.600 -0.102 0.000 1.401 291 M HN 0.197 nan 8.290 nan 0.000 0.440 292 Q N 0.317 120.103 119.800 -0.023 0.000 2.443 292 Q HA -0.054 5.219 4.340 1.556 0.000 0.213 292 Q C 1.499 177.515 176.000 0.028 0.000 0.982 292 Q CA 0.951 56.755 55.803 0.003 0.000 0.894 292 Q CB -0.355 28.393 28.738 0.016 0.000 0.947 292 Q HN 0.406 nan 8.270 nan 0.000 0.480 293 L N -1.310 119.939 121.223 0.043 0.000 2.558 293 L HA 0.084 5.358 4.340 1.556 0.000 0.225 293 L C -0.040 176.861 176.870 0.053 0.000 1.128 293 L CA 0.164 55.043 54.840 0.064 0.000 0.868 293 L CB 0.181 42.301 42.059 0.101 0.000 1.006 293 L HN -0.160 nan 8.230 nan 0.000 0.454 294 V N 0.713 120.649 119.914 0.037 0.000 2.530 294 V HA 0.478 5.531 4.120 1.556 0.000 0.282 294 V C 0.905 177.005 176.094 0.010 0.000 1.048 294 V CA -1.065 61.254 62.300 0.032 0.000 0.997 294 V CB 0.720 32.565 31.823 0.037 0.000 0.987 294 V HN 0.230 nan 8.190 nan 0.000 0.477 295 A N 7.721 130.545 122.820 0.006 0.000 2.520 295 A HA 0.348 5.601 4.320 1.556 0.000 0.235 295 A C -0.589 176.981 177.584 -0.022 0.000 1.065 295 A CA -0.597 51.450 52.037 0.017 0.000 0.764 295 A CB -0.127 18.907 19.000 0.057 0.000 1.002 295 A HN 0.802 nan 8.150 nan 0.000 0.502 296 P HA 0.093 nan 4.420 nan 0.000 0.249 296 P C 0.907 178.228 177.300 0.035 0.000 1.229 296 P CA 0.977 64.103 63.100 0.043 0.000 0.788 296 P CB 0.276 32.003 31.700 0.046 0.000 1.072 297 A N -0.134 122.698 122.820 0.019 0.000 2.119 297 A HA 0.360 5.614 4.320 1.556 0.000 0.217 297 A C 1.305 178.906 177.584 0.028 0.000 1.153 297 A CA 1.179 53.227 52.037 0.018 0.000 0.692 297 A CB -0.676 18.326 19.000 0.003 0.000 0.799 297 A HN 0.382 nan 8.150 nan 0.000 0.458 298 G N -2.214 106.608 108.800 0.038 0.000 2.788 298 G HA2 0.492 5.385 3.960 1.556 0.000 0.293 298 G HA3 0.492 5.385 3.960 1.556 0.000 0.293 298 G C -2.296 172.644 174.900 0.066 0.000 1.392 298 G CA -0.046 45.083 45.100 0.049 0.000 0.810 298 G HN -0.117 nan 8.290 nan 0.000 0.508 299 P HA 0.049 nan 4.420 nan 0.000 0.227 299 P C 0.901 178.261 177.300 0.101 0.000 1.161 299 P CA 0.370 63.516 63.100 0.077 0.000 0.788 299 P CB 0.400 32.134 31.700 0.056 0.000 0.822 300 M N 0.502 120.155 119.600 0.088 0.000 2.227 300 M HA 0.114 5.528 4.480 1.556 0.000 0.349 300 M C -0.891 175.477 176.300 0.114 0.000 1.443 300 M CA -0.489 54.865 55.300 0.090 0.000 1.110 300 M CB 0.061 32.696 32.600 0.058 0.000 1.773 300 M HN -0.175 nan 8.290 nan 0.000 0.463 301 Y N 4.918 125.228 120.300 0.016 0.000 2.304 301 Y HA 0.331 5.815 4.550 1.556 0.000 0.328 301 Y C -0.337 175.575 175.900 0.020 0.000 1.123 301 Y CA 0.370 58.482 58.100 0.020 0.000 1.218 301 Y CB 0.675 39.142 38.460 0.012 0.000 1.207 301 Y HN 0.616 nan 8.280 nan 0.000 0.495 302 Q N 4.436 123.880 119.800 -0.592 0.000 2.430 302 Q HA 0.629 5.902 4.340 1.556 0.000 0.253 302 Q C -2.221 173.499 176.000 -0.467 0.000 0.945 302 Q CA -0.372 55.236 55.803 -0.325 0.000 0.964 302 Q CB 1.503 30.191 28.738 -0.085 0.000 1.460 302 Q HN 0.893 nan 8.270 nan 0.000 0.428 303 A N 1.430 124.075 122.820 -0.291 0.000 2.524 303 A HA 1.064 6.317 4.320 1.556 0.000 0.289 303 A C -0.793 176.773 177.584 -0.029 0.000 1.248 303 A CA -0.259 51.672 52.037 -0.177 0.000 0.712 303 A CB 1.910 20.831 19.000 -0.132 0.000 1.312 303 A HN 1.026 nan 8.150 nan 0.000 0.441 304 G N -1.215 107.590 108.800 0.008 0.000 1.984 304 G HA2 0.458 5.352 3.960 1.556 0.000 0.313 304 G HA3 0.458 5.352 3.960 1.556 0.000 0.313 304 G C 0.041 174.963 174.900 0.037 0.000 1.632 304 G CA 0.505 45.624 45.100 0.032 0.000 0.963 304 G HN 0.755 nan 8.290 nan 0.000 0.595 305 T N 2.185 116.764 114.554 0.042 0.000 2.665 305 T HA -0.146 5.137 4.350 1.556 0.000 0.268 305 T C 2.193 176.911 174.700 0.030 0.000 1.035 305 T CA 1.433 63.558 62.100 0.040 0.000 1.151 305 T CB -0.086 68.806 68.868 0.042 0.000 0.862 305 T HN 0.249 nan 8.240 nan 0.000 0.438 306 L N 1.290 122.528 121.223 0.025 0.000 2.629 306 L HA 0.219 5.492 4.340 1.556 0.000 0.230 306 L C 0.586 177.456 176.870 0.001 0.000 1.151 306 L CA -0.021 54.824 54.840 0.009 0.000 0.924 306 L CB -0.114 41.950 42.059 0.008 0.000 1.137 306 L HN 0.014 nan 8.230 nan 0.000 0.457 307 S N 0.080 115.792 115.700 0.019 0.000 2.549 307 S HA 0.397 5.800 4.470 1.556 0.000 0.279 307 S C 1.312 175.913 174.600 0.003 0.000 1.321 307 S CA 0.198 58.418 58.200 0.033 0.000 1.054 307 S CB 0.916 64.155 63.200 0.064 0.000 0.899 307 S HN 0.541 nan 8.310 nan 0.000 0.497 308 G N 2.739 111.516 108.800 -0.038 0.000 2.155 308 G HA2 -0.315 4.579 3.960 1.556 0.000 0.257 308 G HA3 -0.315 4.579 3.960 1.556 0.000 0.257 308 G C -0.109 174.678 174.900 -0.188 0.000 0.983 308 G CA 0.194 45.211 45.100 -0.138 0.000 0.676 308 G HN 0.992 nan 8.290 nan 0.000 0.528 309 N N 0.629 119.226 118.700 -0.171 0.000 2.412 309 N HA 0.362 6.036 4.740 1.556 0.000 0.254 309 N C -0.408 174.924 175.510 -0.297 0.000 1.232 309 N CA -0.650 52.258 53.050 -0.235 0.000 0.880 309 N CB 0.906 39.291 38.487 -0.169 0.000 1.076 309 N HN 0.173 nan 8.380 nan 0.000 0.458 310 P HA -0.245 nan 4.420 nan 0.000 0.216 310 P C 1.349 178.504 177.300 -0.241 0.000 1.150 310 P CA 1.213 64.090 63.100 -0.372 0.000 0.843 310 P CB 0.207 31.564 31.700 -0.572 0.000 0.787 311 L N -0.887 120.211 121.223 -0.208 0.000 2.046 311 L HA -0.165 5.109 4.340 1.556 0.000 0.208 311 L C 2.654 179.451 176.870 -0.122 0.000 1.077 311 L CA 1.915 56.677 54.840 -0.131 0.000 0.747 311 L CB -0.950 41.051 42.059 -0.096 0.000 0.896 311 L HN -0.007 nan 8.230 nan 0.000 0.432 312 A N -0.611 122.124 122.820 -0.142 0.000 1.872 312 A HA -0.207 5.047 4.320 1.556 0.000 0.214 312 A C 2.147 179.623 177.584 -0.180 0.000 1.187 312 A CA 1.288 53.243 52.037 -0.136 0.000 0.614 312 A CB -0.302 18.619 19.000 -0.133 0.000 0.826 312 A HN 0.300 nan 8.150 nan 0.000 0.442 313 M N 0.072 119.528 119.600 -0.240 0.000 2.149 313 M HA -0.101 5.312 4.480 1.556 0.000 0.261 313 M C 2.112 178.302 176.300 -0.183 0.000 1.064 313 M CA 1.975 57.110 55.300 -0.275 0.000 1.102 313 M CB -2.238 30.183 32.600 -0.299 0.000 1.369 313 M HN 0.418 nan 8.290 nan 0.000 0.408 314 T N 1.469 115.936 114.554 -0.145 0.000 2.643 314 T HA -0.068 5.216 4.350 1.556 0.000 0.264 314 T C 1.978 176.624 174.700 -0.090 0.000 1.045 314 T CA 1.906 63.946 62.100 -0.101 0.000 1.155 314 T CB -0.459 68.360 68.868 -0.082 0.000 0.863 314 T HN 0.496 nan 8.240 nan 0.000 0.420 315 A N 1.358 124.126 122.820 -0.086 0.000 1.940 315 A HA 0.045 5.299 4.320 1.556 0.000 0.219 315 A C 2.584 180.113 177.584 -0.091 0.000 1.176 315 A CA 2.019 54.013 52.037 -0.072 0.000 0.631 315 A CB -1.390 17.577 19.000 -0.054 0.000 0.814 315 A HN 0.530 nan 8.150 nan 0.000 0.446 316 G N -0.046 108.685 108.800 -0.115 0.000 2.404 316 G HA2 -0.156 4.738 3.960 1.556 0.000 0.215 316 G HA3 -0.156 4.738 3.960 1.556 0.000 0.215 316 G C 1.526 176.344 174.900 -0.137 0.000 1.174 316 G CA 1.094 46.114 45.100 -0.134 0.000 0.780 316 G HN 0.471 nan 8.290 nan 0.000 0.537 317 I N 0.200 120.700 120.570 -0.116 0.000 2.179 317 I HA -0.113 4.990 4.170 1.556 0.000 0.242 317 I C 2.703 178.773 176.117 -0.079 0.000 1.088 317 I CA 1.174 62.423 61.300 -0.086 0.000 1.357 317 I CB -0.079 37.879 38.000 -0.070 0.000 1.051 317 I HN 0.022 nan 8.210 nan 0.000 0.409 318 K N 0.753 121.103 120.400 -0.083 0.000 2.057 318 K HA -0.119 5.135 4.320 1.556 0.000 0.207 318 K C 2.067 178.596 176.600 -0.119 0.000 1.049 318 K CA 1.735 57.969 56.287 -0.088 0.000 0.931 318 K CB -0.738 31.715 32.500 -0.078 0.000 0.714 318 K HN 0.206 nan 8.250 nan 0.000 0.440 319 T N 1.345 115.824 114.554 -0.125 0.000 2.746 319 T HA -0.077 5.206 4.350 1.556 0.000 0.267 319 T C 1.636 176.265 174.700 -0.118 0.000 1.039 319 T CA 1.325 63.342 62.100 -0.139 0.000 1.142 319 T CB -0.109 68.680 68.868 -0.130 0.000 0.866 319 T HN 0.121 nan 8.240 nan 0.000 0.444 320 L N 0.568 121.721 121.223 -0.116 0.000 2.156 320 L HA 0.003 5.277 4.340 1.556 0.000 0.208 320 L C 2.614 179.514 176.870 0.050 0.000 1.095 320 L CA 1.196 56.024 54.840 -0.020 0.000 0.770 320 L CB -0.629 41.396 42.059 -0.056 0.000 0.914 320 L HN 0.355 nan 8.230 nan 0.000 0.439 321 E N 0.560 120.750 120.200 -0.017 0.000 2.106 321 E HA -0.185 5.098 4.350 1.556 0.000 0.192 321 E C 2.355 178.922 176.600 -0.055 0.000 0.984 321 E CA 0.954 57.337 56.400 -0.027 0.000 0.806 321 E CB -0.069 29.608 29.700 -0.039 0.000 0.750 321 E HN 0.472 nan 8.360 nan 0.000 0.458 322 L N 0.592 121.760 121.223 -0.091 0.000 2.141 322 L HA -0.153 5.121 4.340 1.556 0.000 0.209 322 L C 2.319 179.132 176.870 -0.095 0.000 1.094 322 L CA 0.760 55.524 54.840 -0.127 0.000 0.763 322 L CB -0.208 41.706 42.059 -0.243 0.000 0.908 322 L HN 0.168 nan 8.230 nan 0.000 0.437 323 L N -0.940 120.258 121.223 -0.042 0.000 2.341 323 L HA -0.066 5.208 4.340 1.556 0.000 0.214 323 L C 2.470 179.316 176.870 -0.040 0.000 1.115 323 L CA 0.476 55.309 54.840 -0.012 0.000 0.820 323 L CB -0.280 41.889 42.059 0.184 0.000 0.944 323 L HN 0.169 nan 8.230 nan 0.000 0.452 324 R N -0.248 120.193 120.500 -0.098 0.000 2.307 324 R HA -0.024 5.249 4.340 1.556 0.000 0.199 324 R C 0.617 176.836 176.300 -0.136 0.000 1.000 324 R CA 0.081 56.033 56.100 -0.246 0.000 1.023 324 R CB 0.279 30.435 30.300 -0.240 0.000 0.908 324 R HN 0.268 nan 8.270 nan 0.000 0.473 325 Q N 0.705 120.450 119.800 -0.091 0.000 2.492 325 Q HA 0.120 5.394 4.340 1.556 0.000 0.238 325 Q C -2.203 173.767 176.000 -0.050 0.000 1.045 325 Q CA -1.735 54.029 55.803 -0.065 0.000 0.934 325 Q CB -0.096 28.605 28.738 -0.062 0.000 1.276 325 Q HN 0.024 nan 8.270 nan 0.000 0.521 326 P HA 0.065 nan 4.420 nan 0.000 0.267 326 P C 0.157 177.457 177.300 -0.000 0.000 1.205 326 P CA 0.689 63.784 63.100 -0.009 0.000 0.765 326 P CB 0.302 31.999 31.700 -0.006 0.000 0.828 327 G N 2.282 111.101 108.800 0.032 0.000 2.249 327 G HA2 -0.294 4.600 3.960 1.556 0.000 0.273 327 G HA3 -0.294 4.600 3.960 1.556 0.000 0.273 327 G C 0.993 175.923 174.900 0.050 0.000 1.036 327 G CA 0.619 45.754 45.100 0.058 0.000 0.824 327 G HN 0.470 nan 8.290 nan 0.000 0.504 328 T N -0.619 113.928 114.554 -0.012 0.000 2.698 328 T HA -0.041 5.242 4.350 1.556 0.000 0.260 328 T C 1.972 176.581 174.700 -0.153 0.000 1.044 328 T CA 1.954 63.968 62.100 -0.144 0.000 1.149 328 T CB -0.203 68.463 68.868 -0.337 0.000 0.864 328 T HN 0.425 nan 8.240 nan 0.000 0.419 329 Y N 1.493 121.870 120.300 0.128 0.000 2.352 329 Y HA 0.008 5.490 4.550 1.555 0.000 0.292 329 Y C 2.514 178.485 175.900 0.118 0.000 1.136 329 Y CA 0.600 58.778 58.100 0.131 0.000 1.227 329 Y CB -0.378 38.156 38.460 0.124 0.000 0.991 329 Y HN 0.205 nan 8.280 nan 0.000 0.545 330 E N -0.815 119.517 120.200 0.220 0.000 2.077 330 E HA -0.233 5.051 4.350 1.556 0.000 0.193 330 E C 1.888 178.570 176.600 0.138 0.000 0.989 330 E CA 1.375 57.871 56.400 0.160 0.000 0.800 330 E CB -0.618 29.164 29.700 0.136 0.000 0.746 330 E HN 0.564 nan 8.360 nan 0.000 0.452 331 Y N 0.653 120.975 120.300 0.036 0.000 2.224 331 Y HA -0.159 5.325 4.550 1.556 0.000 0.289 331 Y C 1.739 177.655 175.900 0.027 0.000 1.146 331 Y CA 1.382 59.494 58.100 0.020 0.000 1.182 331 Y CB -0.080 38.379 38.460 -0.002 0.000 0.983 331 Y HN -0.006 nan 8.280 nan 0.000 0.524 332 L N -0.350 120.917 121.223 0.074 0.000 2.056 332 L HA -0.199 5.074 4.340 1.556 0.000 0.207 332 L C 2.135 178.992 176.870 -0.023 0.000 1.078 332 L CA 1.905 56.758 54.840 0.021 0.000 0.749 332 L CB -0.602 41.534 42.059 0.128 0.000 0.901 332 L HN 0.190 nan 8.230 nan 0.000 0.433 333 D N -0.728 119.695 120.400 0.039 0.000 2.144 333 D HA -0.239 5.334 4.640 1.556 0.000 0.199 333 D C 2.251 178.522 176.300 -0.048 0.000 0.984 333 D CA 0.962 54.979 54.000 0.029 0.000 0.834 333 D CB 0.175 41.024 40.800 0.081 0.000 0.955 333 D HN 0.210 nan 8.370 nan 0.000 0.465 334 Q N 0.089 119.833 119.800 -0.094 0.000 1.993 334 Q HA -0.158 5.116 4.340 1.556 0.000 0.202 334 Q C 2.476 178.348 176.000 -0.214 0.000 0.984 334 Q CA 1.927 57.646 55.803 -0.139 0.000 0.837 334 Q CB -0.223 28.430 28.738 -0.142 0.000 0.902 334 Q HN 0.593 nan 8.270 nan 0.000 0.423 335 I N -1.963 118.390 120.570 -0.362 0.000 2.394 335 I HA -0.113 4.991 4.170 1.556 0.000 0.251 335 I C 1.809 177.783 176.117 -0.239 0.000 1.136 335 I CA 1.427 62.535 61.300 -0.320 0.000 1.425 335 I CB -0.527 37.229 38.000 -0.408 0.000 1.079 335 I HN -0.014 nan 8.210 nan 0.000 0.425 336 T N 0.838 115.266 114.554 -0.209 0.000 2.904 336 T HA -0.102 5.182 4.350 1.556 0.000 0.267 336 T C 1.807 176.374 174.700 -0.222 0.000 1.059 336 T CA 1.550 63.520 62.100 -0.217 0.000 1.137 336 T CB -0.118 68.682 68.868 -0.113 0.000 0.879 336 T HN 0.387 nan 8.240 nan 0.000 0.467 337 K N 1.188 121.498 120.400 -0.149 0.000 2.057 337 K HA -0.014 5.240 4.320 1.556 0.000 0.206 337 K C 2.450 178.966 176.600 -0.139 0.000 1.050 337 K CA 0.958 57.175 56.287 -0.115 0.000 0.935 337 K CB -0.003 32.459 32.500 -0.065 0.000 0.715 337 K HN 0.123 nan 8.250 nan 0.000 0.439 338 R N 0.535 120.946 120.500 -0.149 0.000 2.081 338 R HA -0.056 5.218 4.340 1.556 0.000 0.235 338 R C 2.225 178.411 176.300 -0.191 0.000 1.131 338 R CA 1.213 57.228 56.100 -0.142 0.000 0.960 338 R CB -0.317 29.908 30.300 -0.125 0.000 0.856 338 R HN 0.280 nan 8.270 nan 0.000 0.436 339 L N 0.079 121.142 121.223 -0.267 0.000 2.056 339 L HA -0.117 5.156 4.340 1.556 0.000 0.207 339 L C 2.212 178.819 176.870 -0.438 0.000 1.078 339 L CA 1.918 56.531 54.840 -0.378 0.000 0.749 339 L CB -0.544 41.209 42.059 -0.510 0.000 0.901 339 L HN 0.383 nan 8.230 nan 0.000 0.433 340 S N -0.092 115.359 115.700 -0.415 0.000 2.343 340 S HA -0.206 5.198 4.470 1.556 0.000 0.219 340 S C 1.547 176.037 174.600 -0.184 0.000 1.033 340 S CA 1.688 59.698 58.200 -0.316 0.000 1.014 340 S CB -0.190 62.883 63.200 -0.213 0.000 0.915 340 S HN 0.485 nan 8.310 nan 0.000 0.435 341 D N 0.698 121.018 120.400 -0.133 0.000 2.158 341 D HA -0.054 5.520 4.640 1.556 0.000 0.197 341 D C 2.019 178.262 176.300 -0.095 0.000 0.995 341 D CA 1.332 55.284 54.000 -0.080 0.000 0.846 341 D CB -1.020 39.742 40.800 -0.063 0.000 0.941 341 D HN 0.543 nan 8.370 nan 0.000 0.456 342 G N 0.374 109.090 108.800 -0.139 0.000 2.422 342 G HA2 -0.173 4.720 3.960 1.556 0.000 0.218 342 G HA3 -0.173 4.720 3.960 1.556 0.000 0.218 342 G C 1.783 176.581 174.900 -0.170 0.000 1.146 342 G CA 0.255 45.272 45.100 -0.139 0.000 0.769 342 G HN 0.255 nan 8.290 nan 0.000 0.547 343 L N -0.157 120.908 121.223 -0.264 0.000 2.027 343 L HA 0.045 5.318 4.340 1.556 0.000 0.206 343 L C 2.882 179.627 176.870 -0.207 0.000 1.074 343 L CA 0.564 55.164 54.840 -0.399 0.000 0.745 343 L CB -0.413 41.190 42.059 -0.761 0.000 0.898 343 L HN 0.167 nan 8.230 nan 0.000 0.433 344 L N -0.421 120.772 121.223 -0.050 0.000 2.131 344 L HA -0.191 5.082 4.340 1.556 0.000 0.210 344 L C 2.841 179.748 176.870 0.061 0.000 1.092 344 L CA 1.023 55.926 54.840 0.106 0.000 0.759 344 L CB -0.760 41.361 42.059 0.102 0.000 0.903 344 L HN 0.251 nan 8.230 nan 0.000 0.435 345 A N 0.605 123.429 122.820 0.006 0.000 1.855 345 A HA -0.151 5.103 4.320 1.556 0.000 0.215 345 A C 2.198 179.795 177.584 0.021 0.000 1.191 345 A CA 1.375 53.417 52.037 0.009 0.000 0.613 345 A CB -0.629 18.363 19.000 -0.014 0.000 0.829 345 A HN 0.320 nan 8.150 nan 0.000 0.442 346 I N -0.005 120.564 120.570 -0.002 0.000 2.264 346 I HA -0.312 4.791 4.170 1.556 0.000 0.248 346 I C 2.908 179.075 176.117 0.083 0.000 1.111 346 I CA 1.056 62.366 61.300 0.018 0.000 1.382 346 I CB -0.332 37.653 38.000 -0.024 0.000 1.060 346 I HN 0.372 nan 8.210 nan 0.000 0.418 347 A N -0.004 122.885 122.820 0.116 0.000 1.898 347 A HA -0.241 5.012 4.320 1.556 0.000 0.216 347 A C 2.239 179.941 177.584 0.197 0.000 1.181 347 A CA 1.490 53.664 52.037 0.229 0.000 0.620 347 A CB -0.482 18.705 19.000 0.313 0.000 0.819 347 A HN 0.309 nan 8.150 nan 0.000 0.442 348 Q N -0.004 119.870 119.800 0.124 0.000 2.084 348 Q HA -0.173 5.101 4.340 1.556 0.000 0.202 348 Q C 1.976 178.014 176.000 0.062 0.000 0.978 348 Q CA 1.961 57.813 55.803 0.082 0.000 0.844 348 Q CB -0.359 28.412 28.738 0.056 0.000 0.898 348 Q HN 0.932 nan 8.270 nan 0.000 0.426 349 E N -0.853 119.383 120.200 0.060 0.000 2.418 349 E HA -0.090 5.194 4.350 1.556 0.000 0.197 349 E C 0.779 177.409 176.600 0.051 0.000 1.026 349 E CA 1.395 57.820 56.400 0.043 0.000 0.862 349 E CB -0.046 29.673 29.700 0.032 0.000 0.799 349 E HN 0.334 nan 8.360 nan 0.000 0.518 350 T N -3.584 111.028 114.554 0.096 0.000 3.069 350 T HA 0.411 5.695 4.350 1.556 0.000 0.252 350 T C 1.386 176.064 174.700 -0.037 0.000 1.053 350 T CA 0.068 62.232 62.100 0.107 0.000 0.964 350 T CB 0.726 69.753 68.868 0.265 0.000 1.005 350 T HN 0.358 nan 8.240 nan 0.000 0.532 351 G N 1.309 110.080 108.800 -0.050 0.000 2.141 351 G HA2 -0.213 4.680 3.960 1.556 0.000 0.242 351 G HA3 -0.213 4.680 3.960 1.556 0.000 0.242 351 G C -0.295 174.456 174.900 -0.248 0.000 0.982 351 G CA -0.127 44.876 45.100 -0.162 0.000 0.662 351 G HN 0.749 nan 8.290 nan 0.000 0.527 352 H N 0.533 119.638 119.070 0.058 0.000 2.489 352 H HA 0.654 6.149 4.556 1.565 0.000 0.322 352 H C 0.692 176.083 175.328 0.104 0.000 1.091 352 H CA 0.239 56.336 56.048 0.082 0.000 1.291 352 H CB 1.583 31.434 29.762 0.148 0.000 1.436 352 H HN 0.546 nan 8.280 nan 0.000 0.480 353 A N 2.709 125.640 122.820 0.184 0.000 2.450 353 A HA 0.643 5.896 4.320 1.556 0.000 0.255 353 A C -0.079 177.584 177.584 0.132 0.000 1.096 353 A CA 0.388 52.496 52.037 0.118 0.000 0.778 353 A CB -0.225 18.815 19.000 0.067 0.000 1.031 353 A HN 0.847 nan 8.150 nan 0.000 0.494 354 A N 0.937 123.776 122.820 0.032 0.000 2.601 354 A HA 0.734 5.988 4.320 1.556 0.000 0.291 354 A C -0.521 177.006 177.584 -0.096 0.000 1.075 354 A CA 0.027 51.977 52.037 -0.145 0.000 0.671 354 A CB 0.604 19.416 19.000 -0.313 0.000 1.277 354 A HN 2.583 nan 8.150 nan 0.000 0.417 355 C N -0.987 118.227 119.300 -0.143 0.000 3.285 355 C HA 1.067 6.461 4.460 1.556 0.000 0.325 355 C C 0.306 175.357 174.990 0.102 0.000 1.304 355 C CA 0.301 59.322 59.018 0.006 0.000 1.319 355 C CB 1.172 28.914 27.740 0.003 0.000 1.640 355 C HN 2.666 nan 8.230 nan 0.000 0.477 356 G N -0.145 108.763 108.800 0.181 0.000 2.474 356 G HA2 1.034 5.928 3.960 1.556 0.000 0.234 356 G HA3 1.034 5.928 3.960 1.556 0.000 0.234 356 G C -0.339 174.717 174.900 0.261 0.000 1.204 356 G CA 0.187 45.445 45.100 0.263 0.000 0.939 356 G HN 2.771 nan 8.290 nan 0.000 0.491 357 G N -1.559 107.383 108.800 0.235 0.000 2.356 357 G HA2 0.704 5.597 3.960 1.556 0.000 0.300 357 G HA3 0.704 5.597 3.960 1.556 0.000 0.300 357 G C -1.664 173.255 174.900 0.031 0.000 1.331 357 G CA 0.855 46.084 45.100 0.215 0.000 0.905 357 G HN 1.946 nan 8.290 nan 0.000 0.587 358 Q N -2.095 117.730 119.800 0.041 0.000 2.578 358 Q HA 0.723 5.997 4.340 1.556 0.000 0.284 358 Q C -1.594 174.461 176.000 0.091 0.000 0.960 358 Q CA -1.017 54.660 55.803 -0.209 0.000 0.809 358 Q CB 1.982 30.635 28.738 -0.142 0.000 1.462 358 Q HN 1.396 nan 8.270 nan 0.000 0.392 359 V N 1.531 121.513 119.914 0.114 0.000 2.532 359 V HA 0.693 5.747 4.120 1.556 0.000 0.294 359 V C 0.239 176.436 176.094 0.171 0.000 1.036 359 V CA 0.266 62.711 62.300 0.241 0.000 0.876 359 V CB 0.576 32.644 31.823 0.408 0.000 1.012 359 V HN 1.109 nan 8.190 nan 0.000 0.432 360 S N 4.356 120.145 115.700 0.148 0.000 3.790 360 S HA -0.188 5.216 4.470 1.556 0.000 0.628 360 S C 1.318 176.003 174.600 0.142 0.000 2.348 360 S CA 1.512 59.815 58.200 0.172 0.000 3.927 360 S CB -1.377 61.964 63.200 0.235 0.000 0.236 360 S HN 2.093 nan 8.310 nan 0.000 0.953 361 G N 1.109 110.028 108.800 0.199 0.000 3.496 361 G HA2 0.481 5.375 3.960 1.556 0.000 0.273 361 G HA3 0.481 5.375 3.960 1.556 0.000 0.273 361 G C -0.084 174.955 174.900 0.230 0.000 1.279 361 G CA 0.412 45.627 45.100 0.191 0.000 1.041 361 G HN 0.611 nan 8.290 nan 0.000 0.539 362 M N 1.052 120.727 119.600 0.126 0.000 2.204 362 M HA 0.616 6.030 4.480 1.556 0.000 0.293 362 M C -1.400 174.644 176.300 -0.427 0.000 0.994 362 M CA -1.102 54.172 55.300 -0.044 0.000 0.925 362 M CB 1.778 34.446 32.600 0.113 0.000 1.577 362 M HN 0.131 nan 8.290 nan 0.000 0.439 363 F N 2.159 121.693 119.950 -0.693 0.000 2.664 363 F HA 1.062 6.522 4.527 1.555 0.000 0.329 363 F C -0.581 174.794 175.800 -0.708 0.000 1.090 363 F CA -0.909 56.567 58.000 -0.872 0.000 0.978 363 F CB 1.378 40.096 39.000 -0.471 0.000 1.378 363 F HN 0.513 nan 8.300 nan 0.000 0.495 364 G N 0.107 108.739 108.800 -0.281 0.000 2.718 364 G HA2 0.597 5.490 3.960 1.556 0.000 0.295 364 G HA3 0.597 5.490 3.960 1.556 0.000 0.295 364 G C -2.744 172.145 174.900 -0.018 0.000 1.421 364 G CA -0.767 44.209 45.100 -0.207 0.000 0.902 364 G HN 0.916 nan 8.290 nan 0.000 0.501 365 F N 1.463 121.129 119.950 -0.473 0.000 2.689 365 F HA 0.733 6.181 4.527 1.535 0.000 0.332 365 F C -1.965 173.489 175.800 -0.576 0.000 1.209 365 F CA -1.614 56.168 58.000 -0.363 0.000 1.028 365 F CB 1.238 40.090 39.000 -0.248 0.000 1.291 365 F HN 0.352 nan 8.300 nan 0.000 0.500 366 F N 5.479 124.982 119.950 -0.744 0.000 2.508 366 F HA 0.470 5.929 4.527 1.552 0.000 0.325 366 F C -0.468 174.840 175.800 -0.821 0.000 1.090 366 F CA -0.800 56.810 58.000 -0.651 0.000 0.945 366 F CB 1.266 40.057 39.000 -0.348 0.000 1.156 366 F HN 0.245 nan 8.300 nan 0.000 0.463 367 F N 1.830 121.633 119.950 -0.244 0.000 2.669 367 F HA 0.343 5.764 4.527 1.491 0.000 0.353 367 F C 0.498 176.233 175.800 -0.109 0.000 1.192 367 F CA -0.212 57.658 58.000 -0.217 0.000 1.317 367 F CB -0.172 38.761 39.000 -0.112 0.000 1.652 367 F HN 0.331 nan 8.300 nan 0.000 0.608 368 T N -0.855 113.720 114.554 0.034 0.000 2.957 368 T HA 0.161 5.445 4.350 1.556 0.000 0.336 368 T C 0.790 175.472 174.700 -0.030 0.000 1.462 368 T CA -0.582 61.520 62.100 0.004 0.000 1.073 368 T CB 1.001 69.846 68.868 -0.039 0.000 1.319 368 T HN 0.503 nan 8.240 nan 0.000 0.485 369 E N 2.284 122.474 120.200 -0.018 0.000 2.265 369 E HA 0.230 5.513 4.350 1.556 0.000 0.196 369 E C 1.393 177.968 176.600 -0.042 0.000 0.996 369 E CA 0.666 57.054 56.400 -0.020 0.000 0.832 369 E CB -0.557 29.139 29.700 -0.008 0.000 0.756 369 E HN 1.239 nan 8.360 nan 0.000 0.491 370 G N 2.126 110.885 108.800 -0.069 0.000 2.564 370 G HA2 -0.290 4.604 3.960 1.556 0.000 0.273 370 G HA3 -0.290 4.604 3.960 1.556 0.000 0.273 370 G C -2.160 172.708 174.900 -0.052 0.000 1.242 370 G CA -0.000 45.040 45.100 -0.099 0.000 0.951 370 G HN 0.371 nan 8.290 nan 0.000 0.564 371 P HA 0.502 nan 4.420 nan 0.000 0.275 371 P C -0.200 176.977 177.300 -0.205 0.000 1.228 371 P CA -0.629 62.389 63.100 -0.135 0.000 0.786 371 P CB 1.192 32.801 31.700 -0.152 0.000 0.927 372 V N 3.067 122.785 119.914 -0.327 0.000 2.432 372 V HA 0.093 5.147 4.120 1.556 0.000 0.271 372 V C 0.640 176.526 176.094 -0.348 0.000 1.046 372 V CA 0.373 62.453 62.300 -0.367 0.000 0.945 372 V CB 0.229 31.643 31.823 -0.680 0.000 0.992 372 V HN 0.660 nan 8.190 nan 0.000 0.471 373 H N 2.778 121.777 119.070 -0.118 0.000 3.241 373 H HA 0.298 5.788 4.556 1.557 0.000 0.260 373 H C 0.694 176.020 175.328 -0.003 0.000 1.084 373 H CA 0.187 56.191 56.048 -0.072 0.000 1.203 373 H CB 0.602 30.303 29.762 -0.101 0.000 1.524 373 H HN 0.805 nan 8.280 nan 0.000 0.521 374 N N -1.999 116.764 118.700 0.105 0.000 3.179 374 N HA -0.091 5.583 4.740 1.556 0.000 0.250 374 N C -0.213 175.372 175.510 0.126 0.000 1.507 374 N CA -0.611 52.526 53.050 0.145 0.000 0.883 374 N CB 1.007 39.572 38.487 0.131 0.000 1.435 374 N HN -0.142 nan 8.380 nan 0.000 0.532 375 Y N 0.877 121.182 120.300 0.008 0.000 2.165 375 Y HA -0.101 5.376 4.550 1.545 0.000 0.286 375 Y C 1.966 177.851 175.900 -0.024 0.000 1.155 375 Y CA 2.076 60.165 58.100 -0.018 0.000 1.164 375 Y CB -0.366 38.073 38.460 -0.035 0.000 0.978 375 Y HN 0.663 nan 8.280 nan 0.000 0.513 376 E N -0.388 119.739 120.200 -0.122 0.000 2.085 376 E HA -0.220 5.064 4.350 1.556 0.000 0.194 376 E C 1.787 178.290 176.600 -0.163 0.000 0.994 376 E CA 1.441 57.721 56.400 -0.200 0.000 0.801 376 E CB -0.175 29.467 29.700 -0.097 0.000 0.743 376 E HN 0.441 nan 8.360 nan 0.000 0.453 377 D N 0.562 120.900 120.400 -0.105 0.000 2.097 377 D HA -0.146 5.428 4.640 1.556 0.000 0.195 377 D C 1.932 178.123 176.300 -0.181 0.000 0.989 377 D CA 1.453 55.379 54.000 -0.122 0.000 0.827 377 D CB -0.426 40.309 40.800 -0.109 0.000 0.966 377 D HN 0.198 nan 8.370 nan 0.000 0.456 378 A N 0.990 123.706 122.820 -0.173 0.000 1.940 378 A HA -0.226 5.028 4.320 1.556 0.000 0.219 378 A C 1.959 179.601 177.584 0.098 0.000 1.176 378 A CA 1.438 53.401 52.037 -0.122 0.000 0.631 378 A CB -0.442 18.692 19.000 0.224 0.000 0.814 378 A HN 0.153 nan 8.150 nan 0.000 0.446 379 K N -0.269 120.109 120.400 -0.037 0.000 2.362 379 K HA -0.070 5.184 4.320 1.556 0.000 0.200 379 K C 1.202 177.805 176.600 0.005 0.000 1.046 379 K CA 1.029 57.296 56.287 -0.033 0.000 0.952 379 K CB -0.090 32.211 32.500 -0.332 0.000 0.753 379 K HN 0.436 nan 8.250 nan 0.000 0.466 380 K N 0.909 121.286 120.400 -0.038 0.000 2.505 380 K HA 0.067 5.320 4.320 1.556 0.000 0.192 380 K C 0.154 176.753 176.600 -0.003 0.000 1.025 380 K CA -0.057 56.212 56.287 -0.030 0.000 1.086 380 K CB 0.354 32.822 32.500 -0.053 0.000 0.840 380 K HN -0.049 nan 8.250 nan 0.000 0.514 381 S N 1.575 117.286 115.700 0.017 0.000 2.585 381 S HA -0.018 5.386 4.470 1.556 0.000 0.273 381 S C -0.064 174.577 174.600 0.068 0.000 1.339 381 S CA -0.506 57.718 58.200 0.040 0.000 1.028 381 S CB 0.817 64.021 63.200 0.007 0.000 0.906 381 S HN 0.176 nan 8.310 nan 0.000 0.528 382 D N 1.966 122.427 120.400 0.101 0.000 2.422 382 D HA 0.143 5.717 4.640 1.556 0.000 0.227 382 D C 0.588 176.962 176.300 0.124 0.000 1.190 382 D CA -0.406 53.641 54.000 0.078 0.000 0.905 382 D CB 0.183 41.000 40.800 0.028 0.000 1.034 382 D HN 0.180 nan 8.370 nan 0.000 0.507 383 L N 3.227 124.519 121.223 0.114 0.000 2.201 383 L HA -0.095 5.179 4.340 1.556 0.000 0.212 383 L C 2.249 179.225 176.870 0.177 0.000 1.105 383 L CA 1.087 56.019 54.840 0.153 0.000 0.775 383 L CB -0.788 41.342 42.059 0.119 0.000 0.913 383 L HN 0.430 nan 8.230 nan 0.000 0.440 384 Q N 0.096 119.958 119.800 0.104 0.000 2.119 384 Q HA -0.219 5.055 4.340 1.556 0.000 0.201 384 Q C 2.254 178.285 176.000 0.052 0.000 0.972 384 Q CA 1.690 57.539 55.803 0.076 0.000 0.847 384 Q CB -0.053 28.710 28.738 0.043 0.000 0.903 384 Q HN 0.383 nan 8.270 nan 0.000 0.433 385 K N -1.148 119.248 120.400 -0.007 0.000 2.103 385 K HA -0.086 5.168 4.320 1.556 0.000 0.204 385 K C 1.768 178.331 176.600 -0.062 0.000 1.052 385 K CA 1.010 57.194 56.287 -0.172 0.000 0.945 385 K CB -0.359 31.852 32.500 -0.482 0.000 0.722 385 K HN 0.262 nan 8.250 nan 0.000 0.443 386 F N 0.835 120.833 119.950 0.080 0.000 2.134 386 F HA -0.205 4.296 4.527 -0.045 0.000 0.299 386 F C 2.438 178.400 175.800 0.270 0.000 1.097 386 F CA 1.756 59.972 58.000 0.360 0.000 1.264 386 F CB -0.651 38.510 39.000 0.268 0.000 1.001 386 F HN 0.062 nan 8.300 nan 0.000 0.479 387 S N 0.220 116.088 115.700 0.281 0.000 2.359 387 S HA -0.224 5.179 4.470 1.556 0.000 0.224 387 S C 2.232 176.872 174.600 0.066 0.000 1.035 387 S CA 1.627 59.925 58.200 0.162 0.000 1.018 387 S CB -0.310 62.980 63.200 0.149 0.000 0.876 387 S HN 0.461 nan 8.310 nan 0.000 0.448 388 R N -0.774 119.757 120.500 0.052 0.000 2.092 388 R HA -0.020 5.253 4.340 1.556 0.000 0.231 388 R C 2.149 178.445 176.300 -0.007 0.000 1.119 388 R CA 1.483 57.593 56.100 0.017 0.000 0.970 388 R CB -0.613 29.691 30.300 0.007 0.000 0.864 388 R HN 0.542 nan 8.270 nan 0.000 0.440 389 F N 1.597 121.462 119.950 -0.143 0.000 2.095 389 F HA -0.259 5.164 4.527 1.492 0.000 0.298 389 F C 2.494 178.159 175.800 -0.224 0.000 1.104 389 F CA 1.749 59.660 58.000 -0.148 0.000 1.232 389 F CB -0.571 38.429 39.000 -0.001 0.000 0.987 389 F HN 0.083 nan 8.300 nan 0.000 0.475 390 H N 0.142 118.886 119.070 -0.543 0.000 2.321 390 H HA -0.189 5.335 4.556 1.613 0.000 0.300 390 H C 2.420 177.499 175.328 -0.414 0.000 1.087 390 H CA 1.996 57.670 56.048 -0.623 0.000 1.319 390 H CB -0.152 29.289 29.762 -0.534 0.000 1.379 390 H HN 0.180 nan 8.280 nan 0.000 0.501 391 R N 0.540 120.921 120.500 -0.198 0.000 2.081 391 R HA -0.048 5.226 4.340 1.556 0.000 0.235 391 R C 2.697 178.844 176.300 -0.256 0.000 1.131 391 R CA 1.580 57.593 56.100 -0.144 0.000 0.960 391 R CB -1.107 29.197 30.300 0.006 0.000 0.856 391 R HN 0.412 nan 8.270 nan 0.000 0.436 392 G N 0.145 108.784 108.800 -0.268 0.000 2.421 392 G HA2 -0.234 4.660 3.960 1.556 0.000 0.216 392 G HA3 -0.234 4.660 3.960 1.556 0.000 0.216 392 G C 1.300 175.980 174.900 -0.367 0.000 1.171 392 G CA 0.945 45.884 45.100 -0.268 0.000 0.775 392 G HN 0.190 nan 8.290 nan 0.000 0.543 393 M N -0.090 119.189 119.600 -0.536 0.000 2.108 393 M HA -0.007 5.406 4.480 1.556 0.000 0.261 393 M C 2.512 178.575 176.300 -0.395 0.000 1.066 393 M CA 0.840 55.820 55.300 -0.533 0.000 1.107 393 M CB -1.203 30.915 32.600 -0.802 0.000 1.356 393 M HN 0.253 nan 8.290 nan 0.000 0.406 394 L N 0.810 121.761 121.223 -0.454 0.000 2.012 394 L HA -0.184 5.089 4.340 1.556 0.000 0.210 394 L C 2.161 178.797 176.870 -0.389 0.000 1.073 394 L CA 1.927 56.593 54.840 -0.290 0.000 0.748 394 L CB -0.686 41.222 42.059 -0.251 0.000 0.891 394 L HN 0.360 nan 8.230 nan 0.000 0.431 395 E N -1.419 118.398 120.200 -0.639 0.000 2.268 395 E HA -0.238 5.045 4.350 1.556 0.000 0.195 395 E C 1.802 178.106 176.600 -0.494 0.000 0.995 395 E CA 0.653 56.485 56.400 -0.948 0.000 0.836 395 E CB -0.012 29.306 29.700 -0.636 0.000 0.763 395 E HN 0.414 nan 8.360 nan 0.000 0.491 396 Q N -0.368 119.243 119.800 -0.315 0.000 2.444 396 Q HA 0.057 5.331 4.340 1.556 0.000 0.206 396 Q C 0.732 176.646 176.000 -0.143 0.000 0.948 396 Q CA 0.689 56.374 55.803 -0.197 0.000 0.946 396 Q CB 0.481 29.114 28.738 -0.175 0.000 1.027 396 Q HN 0.345 nan 8.270 nan 0.000 0.513 397 G N -0.129 108.595 108.800 -0.127 0.000 2.132 397 G HA2 -0.177 4.717 3.960 1.556 0.000 0.234 397 G HA3 -0.177 4.717 3.960 1.556 0.000 0.234 397 G C -0.238 174.740 174.900 0.130 0.000 0.989 397 G CA 0.091 45.153 45.100 -0.064 0.000 0.676 397 G HN 0.217 nan 8.290 nan 0.000 0.522 398 I N 0.336 120.990 120.570 0.140 0.000 2.389 398 I HA 0.394 5.498 4.170 1.556 0.000 0.288 398 I C -0.348 175.881 176.117 0.186 0.000 0.999 398 I CA -1.949 59.462 61.300 0.186 0.000 1.129 398 I CB 1.248 39.267 38.000 0.032 0.000 1.288 398 I HN 0.119 nan 8.210 nan 0.000 0.444 399 Y N 7.053 127.465 120.300 0.188 0.000 2.367 399 Y HA 0.548 6.051 4.550 1.588 0.000 0.342 399 Y C -0.663 175.340 175.900 0.171 0.000 0.979 399 Y CA -0.137 58.021 58.100 0.096 0.000 1.161 399 Y CB 0.903 39.426 38.460 0.105 0.000 1.155 399 Y HN 0.429 nan 8.280 nan 0.000 0.503 400 L N 4.785 125.860 121.223 -0.246 0.000 2.333 400 L HA 0.713 5.987 4.340 1.556 0.000 0.269 400 L C -0.019 176.805 176.870 -0.077 0.000 1.010 400 L CA -1.546 53.267 54.840 -0.044 0.000 0.818 400 L CB 1.650 43.697 42.059 -0.020 0.000 1.306 400 L HN 0.679 nan 8.230 nan 0.000 0.430 401 A N 2.741 125.554 122.820 -0.012 0.000 2.566 401 A HA 0.196 5.449 4.320 1.556 0.000 0.245 401 A C -1.912 175.661 177.584 -0.018 0.000 1.056 401 A CA -0.653 51.383 52.037 -0.003 0.000 0.757 401 A CB -0.540 18.500 19.000 0.067 0.000 0.979 401 A HN 0.491 nan 8.150 nan 0.000 0.508 402 P HA 0.102 nan 4.420 nan 0.000 0.249 402 P C -0.346 176.776 177.300 -0.298 0.000 1.686 402 P CA 0.506 63.155 63.100 -0.753 0.000 0.873 402 P CB -0.209 30.814 31.700 -1.129 0.000 1.828 403 S N 0.213 115.862 115.700 -0.085 0.000 2.579 403 S HA 0.148 5.551 4.470 1.556 0.000 0.290 403 S C 0.648 174.894 174.600 -0.591 0.000 1.123 403 S CA -0.418 57.657 58.200 -0.208 0.000 0.894 403 S CB 1.490 64.654 63.200 -0.060 0.000 1.095 403 S HN -0.026 nan 8.310 nan 0.000 0.450 404 Q N 2.756 121.828 119.800 -1.212 0.000 2.291 404 Q HA 0.166 5.439 4.340 1.556 0.000 0.205 404 Q C 0.082 175.475 176.000 -1.012 0.000 0.970 404 Q CA 1.904 56.772 55.803 -1.559 0.000 0.876 404 Q CB -0.215 27.579 28.738 -1.572 0.000 0.935 404 Q HN 0.731 nan 8.270 nan 0.000 0.455 405 F N 0.823 120.623 119.950 -0.249 0.000 2.798 405 F HA 0.373 5.850 4.527 1.584 0.000 0.291 405 F C 0.003 175.752 175.800 -0.084 0.000 1.174 405 F CA -0.308 57.644 58.000 -0.080 0.000 1.392 405 F CB 0.321 39.325 39.000 0.006 0.000 0.966 405 F HN -0.140 nan 8.300 nan 0.000 0.509 406 E N 0.560 120.736 120.200 -0.040 0.000 2.256 406 E HA 0.674 5.958 4.350 1.556 0.000 0.267 406 E C -0.422 176.090 176.600 -0.146 0.000 0.892 406 E CA -0.740 55.675 56.400 0.024 0.000 0.775 406 E CB 2.357 32.180 29.700 0.205 0.000 1.207 406 E HN 0.072 nan 8.360 nan 0.000 0.420 407 A N 1.160 123.861 122.820 -0.198 0.000 2.287 407 A HA 0.700 5.953 4.320 1.556 0.000 0.273 407 A C 0.467 177.486 177.584 -0.943 0.000 1.091 407 A CA 0.171 51.901 52.037 -0.511 0.000 0.817 407 A CB 0.578 19.325 19.000 -0.421 0.000 1.069 407 A HN 0.501 nan 8.150 nan 0.000 0.492 408 G N -1.024 106.952 108.800 -1.373 0.000 2.434 408 G HA2 0.625 5.519 3.960 1.556 0.000 0.330 408 G HA3 0.625 5.519 3.960 1.556 0.000 0.330 408 G C -1.090 172.961 174.900 -1.415 0.000 1.155 408 G CA -0.411 43.734 45.100 -1.592 0.000 0.917 408 G HN 0.404 nan 8.290 nan 0.000 0.493 409 F N -1.081 118.779 119.950 -0.150 0.000 2.576 409 F HA 0.619 6.082 4.527 1.561 0.000 0.313 409 F C 0.444 176.343 175.800 0.165 0.000 1.078 409 F CA -0.716 57.318 58.000 0.057 0.000 0.921 409 F CB 2.758 41.769 39.000 0.018 0.000 1.232 409 F HN 0.402 nan 8.300 nan 0.000 0.459 410 T N 0.918 115.653 114.554 0.301 0.000 2.924 410 T HA 0.718 6.001 4.350 1.556 0.000 0.291 410 T C -0.813 173.954 174.700 0.112 0.000 1.045 410 T CA -0.563 61.544 62.100 0.013 0.000 1.015 410 T CB 1.565 70.435 68.868 0.003 0.000 1.103 410 T HN 0.759 nan 8.240 nan 0.000 0.496 411 S N 1.374 117.206 115.700 0.221 0.000 2.667 411 S HA 0.517 5.921 4.470 1.556 0.000 0.292 411 S C 0.828 175.572 174.600 0.241 0.000 1.126 411 S CA -0.921 57.407 58.200 0.213 0.000 0.881 411 S CB 0.785 64.059 63.200 0.124 0.000 1.132 411 S HN 0.556 nan 8.310 nan 0.000 0.492 412 L N 0.634 121.941 121.223 0.140 0.000 2.549 412 L HA 0.115 5.389 4.340 1.556 0.000 0.229 412 L C 2.395 179.290 176.870 0.042 0.000 1.158 412 L CA 1.082 55.991 54.840 0.114 0.000 0.842 412 L CB -0.703 41.355 42.059 -0.003 0.000 0.952 412 L HN 0.902 nan 8.230 nan 0.000 0.452 413 A N -1.982 120.845 122.820 0.012 0.000 2.238 413 A HA 0.040 5.294 4.320 1.556 0.000 0.210 413 A C 0.323 177.821 177.584 -0.143 0.000 1.179 413 A CA -0.101 51.877 52.037 -0.099 0.000 0.827 413 A CB -0.469 18.423 19.000 -0.181 0.000 0.856 413 A HN 0.309 nan 8.150 nan 0.000 0.488 414 H N 1.126 120.178 119.070 -0.029 0.000 2.803 414 H HA 0.358 5.847 4.556 1.555 0.000 0.330 414 H C 0.868 176.266 175.328 0.116 0.000 1.057 414 H CA 1.221 57.248 56.048 -0.036 0.000 1.458 414 H CB 0.843 30.581 29.762 -0.041 0.000 1.470 414 H HN 0.334 nan 8.280 nan 0.000 0.560 415 T N -0.322 114.334 114.554 0.171 0.000 2.952 415 T HA 0.172 5.456 4.350 1.556 0.000 0.286 415 T C 1.247 176.044 174.700 0.161 0.000 1.024 415 T CA -0.975 61.243 62.100 0.198 0.000 1.029 415 T CB 1.641 70.586 68.868 0.130 0.000 1.094 415 T HN 0.565 nan 8.240 nan 0.000 0.515 416 E N 0.411 120.696 120.200 0.142 0.000 2.130 416 E HA -0.170 5.113 4.350 1.556 0.000 0.196 416 E C 1.949 178.586 176.600 0.061 0.000 0.998 416 E CA 1.865 58.309 56.400 0.072 0.000 0.806 416 E CB -0.155 29.584 29.700 0.065 0.000 0.738 416 E HN 0.844 nan 8.360 nan 0.000 0.459 417 E N -0.007 120.237 120.200 0.075 0.000 2.106 417 E HA -0.167 5.116 4.350 1.556 0.000 0.192 417 E C 1.577 178.226 176.600 0.082 0.000 0.984 417 E CA 1.020 57.459 56.400 0.064 0.000 0.806 417 E CB -0.043 29.694 29.700 0.061 0.000 0.750 417 E HN 0.278 nan 8.360 nan 0.000 0.458 418 D N 0.905 121.377 120.400 0.120 0.000 2.117 418 D HA -0.125 5.449 4.640 1.556 0.000 0.197 418 D C 1.942 178.340 176.300 0.163 0.000 0.987 418 D CA 0.767 54.866 54.000 0.164 0.000 0.829 418 D CB -0.010 40.898 40.800 0.180 0.000 0.961 418 D HN 0.125 nan 8.370 nan 0.000 0.460 419 I N 1.375 122.017 120.570 0.120 0.000 2.315 419 I HA -0.190 4.914 4.170 1.556 0.000 0.248 419 I C 1.651 177.769 176.117 0.003 0.000 1.117 419 I CA 1.128 62.460 61.300 0.053 0.000 1.404 419 I CB -0.756 37.234 38.000 -0.017 0.000 1.071 419 I HN -0.071 nan 8.210 nan 0.000 0.419 420 D N 1.194 121.602 120.400 0.012 0.000 2.144 420 D HA -0.072 5.502 4.640 1.556 0.000 0.200 420 D C 2.262 178.559 176.300 -0.005 0.000 0.978 420 D CA 1.400 55.396 54.000 -0.007 0.000 0.833 420 D CB 0.058 40.858 40.800 0.001 0.000 0.961 420 D HN 0.287 nan 8.370 nan 0.000 0.470 421 A N 0.148 122.980 122.820 0.020 0.000 1.968 421 A HA -0.095 5.159 4.320 1.556 0.000 0.217 421 A C 2.299 179.884 177.584 0.001 0.000 1.169 421 A CA 1.570 53.615 52.037 0.014 0.000 0.638 421 A CB -0.617 18.403 19.000 0.033 0.000 0.812 421 A HN 0.172 nan 8.150 nan 0.000 0.446 422 T N 0.589 115.150 114.554 0.012 0.000 2.737 422 T HA -0.063 5.221 4.350 1.556 0.000 0.265 422 T C 1.787 176.427 174.700 -0.101 0.000 1.038 422 T CA 1.385 63.462 62.100 -0.038 0.000 1.144 422 T CB -0.363 68.463 68.868 -0.070 0.000 0.866 422 T HN 0.366 nan 8.240 nan 0.000 0.434 423 L N 0.752 121.913 121.223 -0.103 0.000 2.131 423 L HA -0.074 5.199 4.340 1.556 0.000 0.210 423 L C 2.992 179.820 176.870 -0.071 0.000 1.092 423 L CA 1.042 55.816 54.840 -0.109 0.000 0.759 423 L CB -0.634 41.363 42.059 -0.104 0.000 0.903 423 L HN 0.257 nan 8.230 nan 0.000 0.435 424 A N -0.041 122.748 122.820 -0.052 0.000 1.930 424 A HA -0.093 5.160 4.320 1.556 0.000 0.217 424 A C 2.530 180.088 177.584 -0.043 0.000 1.175 424 A CA 1.531 53.545 52.037 -0.039 0.000 0.627 424 A CB -0.522 18.460 19.000 -0.029 0.000 0.815 424 A HN 0.383 nan 8.150 nan 0.000 0.443 425 A N -0.041 122.745 122.820 -0.056 0.000 1.873 425 A HA 0.220 5.473 4.320 1.556 0.000 0.215 425 A C 2.493 180.037 177.584 -0.067 0.000 1.186 425 A CA 1.858 53.850 52.037 -0.074 0.000 0.616 425 A CB -1.056 17.887 19.000 -0.095 0.000 0.823 425 A HN 1.066 nan 8.150 nan 0.000 0.442 426 A N -0.292 122.493 122.820 -0.058 0.000 1.978 426 A HA -0.197 5.057 4.320 1.556 0.000 0.220 426 A C 2.177 179.781 177.584 0.034 0.000 1.170 426 A CA 2.093 54.140 52.037 0.016 0.000 0.636 426 A CB -0.434 18.544 19.000 -0.036 0.000 0.810 426 A HN 0.554 nan 8.150 nan 0.000 0.448 427 R N -0.871 119.627 120.500 -0.003 0.000 2.055 427 R HA -0.063 5.211 4.340 1.556 0.000 0.228 427 R C 2.216 178.526 176.300 0.016 0.000 1.143 427 R CA 2.113 58.219 56.100 0.010 0.000 0.945 427 R CB -0.890 29.407 30.300 -0.006 0.000 0.841 427 R HN 0.394 nan 8.270 nan 0.000 0.429 428 T N 0.103 114.655 114.554 -0.004 0.000 2.803 428 T HA -0.125 5.159 4.350 1.556 0.000 0.269 428 T C 1.691 176.389 174.700 -0.003 0.000 1.052 428 T CA 1.486 63.581 62.100 -0.009 0.000 1.136 428 T CB -0.145 68.705 68.868 -0.029 0.000 0.864 428 T HN 0.023 nan 8.240 nan 0.000 0.467 429 V N 1.236 121.149 119.914 -0.002 0.000 2.273 429 V HA -0.010 5.043 4.120 1.556 0.000 0.242 429 V C 2.385 178.515 176.094 0.061 0.000 1.035 429 V CA 1.325 63.629 62.300 0.007 0.000 1.013 429 V CB -0.460 31.340 31.823 -0.038 0.000 0.652 429 V HN 0.462 nan 8.190 nan 0.000 0.452 430 M N -0.052 119.607 119.600 0.098 0.000 2.629 430 M HA -0.075 5.338 4.480 1.556 0.000 0.257 430 M C 1.029 177.410 176.300 0.135 0.000 1.071 430 M CA 0.900 56.231 55.300 0.051 0.000 1.077 430 M CB -0.377 32.247 32.600 0.040 0.000 1.423 430 M HN 0.197 nan 8.290 nan 0.000 0.508 431 S N 0.768 116.529 115.700 0.102 0.000 2.849 431 S HA 0.511 5.915 4.470 1.556 0.000 0.244 431 S C 0.185 174.831 174.600 0.076 0.000 1.297 431 S CA -0.300 57.958 58.200 0.098 0.000 1.241 431 S CB -0.220 63.015 63.200 0.057 0.000 0.958 431 S HN 0.472 nan 8.310 nan 0.000 0.489 432 A N 0.515 123.392 122.820 0.095 0.000 5.450 432 A HA 0.805 6.059 4.320 1.556 0.000 0.198 432 A C -1.007 176.634 177.584 0.096 0.000 0.883 432 A CA -0.809 51.267 52.037 0.065 0.000 0.784 432 A CB 0.006 19.026 19.000 0.032 0.000 2.043 432 A HN 0.377 nan 8.150 nan 0.000 0.994 433 L N 0.000 121.255 121.223 0.054 0.000 2.949 433 L HA 0.000 5.274 4.340 1.556 0.000 0.249 433 L CA 0.000 54.868 54.840 0.046 0.000 0.813 433 L CB 0.000 42.051 42.059 -0.013 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502