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 1tez_1_B DATA FIRST_RESID 2 DATA SEQUENCE AAPILFWHRR DLRLSDNIGL AAARAQSAQL IGLFCLDPQI LQSADMAPAR DATA SEQUENCE VAYLQGCLQE LQQRYQQAGS RLLLLQGDPQ HLIPQLAQQL QAEAVYWNQD DATA SEQUENCE IEPYGRDRDG QVAAALKTAG IRAVQLWDQL LHSPDQILSG SGNPYSVYGP DATA SEQUENCE FWKNWQAQPK PTPVATPTEL VDLSPEQLTA IAPLLLSELP TLKQLGFDWD DATA SEQUENCE GGFPVEPGET AAIARLQEFC DRAIADYDPQ RNFPAEAGTS GLSPALKFGA DATA SEQUENCE IGIRQAWQAA SAAHALSRSD EARNSIRVWQ QELAWREFYQ HALYHFPSLA DATA SEQUENCE DGPYRSLWQQ FPWENREALF TAWTQAQTGY PIVDAAMRQL TETGWMHNRC DATA SEQUENCE RMIVASFLTK DLIIDWRRGE QFFMQHLVDG DLAANNGGWQ WSASSGMDPK DATA SEQUENCE PLRIFNPASQ AKKFDATATY IKRWLPELRH VHPKDLISGE ITPIERRGYP DATA SEQUENCE APIVNHNLRQ KQFKALYNQL KAAI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.597 177.584 0.021 0.000 1.274 2 A CA 0.000 52.048 52.037 0.018 0.000 0.836 2 A CB 0.000 19.010 19.000 0.016 0.000 0.831 3 A N 1.137 123.972 122.820 0.025 0.000 2.324 3 A HA 0.787 5.107 4.320 -0.000 0.000 0.330 3 A C -2.946 174.660 177.584 0.035 0.000 1.165 3 A CA -1.633 50.421 52.037 0.029 0.000 0.813 3 A CB 0.361 19.381 19.000 0.032 0.000 1.197 3 A HN 0.101 nan 8.150 nan 0.000 0.484 4 P HA 0.473 nan 4.420 nan 0.000 0.274 4 P C -0.856 176.480 177.300 0.060 0.000 1.237 4 P CA -0.150 62.977 63.100 0.045 0.000 0.793 4 P CB 0.595 32.320 31.700 0.043 0.000 0.977 5 I N 1.452 122.063 120.570 0.067 0.000 2.433 5 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 5 I C -0.192 176.001 176.117 0.126 0.000 1.001 5 I CA -0.793 60.562 61.300 0.092 0.000 1.119 5 I CB 1.191 39.210 38.000 0.032 0.000 1.289 5 I HN 0.077 nan 8.210 nan 0.000 0.438 6 L N 6.003 127.325 121.223 0.165 0.000 2.307 6 L HA 0.419 4.759 4.340 -0.000 0.000 0.282 6 L C -0.854 176.181 176.870 0.275 0.000 1.051 6 L CA -0.504 54.444 54.840 0.179 0.000 0.804 6 L CB 1.459 43.588 42.059 0.117 0.000 1.197 6 L HN 0.425 nan 8.230 nan 0.000 0.431 7 F N 3.050 123.116 119.950 0.193 0.000 2.402 7 F HA 0.332 4.859 4.527 0.000 0.000 0.355 7 F C -0.793 175.165 175.800 0.264 0.000 1.123 7 F CA -0.741 57.394 58.000 0.225 0.000 1.021 7 F CB 0.997 40.082 39.000 0.142 0.000 1.160 7 F HN 0.412 nan 8.300 nan 0.000 0.451 8 W N 8.841 129.748 121.300 -0.656 0.000 2.342 8 W HA 0.302 4.962 4.660 -0.000 0.000 0.310 8 W C -0.796 175.446 176.519 -0.462 0.000 1.128 8 W CA -0.822 56.288 57.345 -0.392 0.000 1.322 8 W CB -0.124 29.151 29.460 -0.309 0.000 1.251 8 W HN 0.476 nan 8.180 nan 0.000 0.439 9 H N 5.972 125.183 119.070 0.235 0.000 2.525 9 H HA 0.286 4.842 4.556 -0.000 0.000 0.339 9 H C 0.231 175.615 175.328 0.092 0.000 1.109 9 H CA 0.159 56.385 56.048 0.296 0.000 1.352 9 H CB 1.803 31.910 29.762 0.575 0.000 1.461 9 H HN 0.423 nan 8.280 nan 0.000 0.533 10 R N 0.621 121.219 120.500 0.164 0.000 3.718 10 R HA 0.095 4.435 4.340 -0.000 0.000 0.136 10 R C 0.672 177.181 176.300 0.347 0.000 0.698 10 R CA 0.175 56.316 56.100 0.069 0.000 1.110 10 R CB 0.458 30.531 30.300 -0.377 0.000 1.594 10 R HN 0.500 nan 8.270 nan 0.000 0.490 11 R N 1.072 121.717 120.500 0.242 0.000 2.698 11 R HA 0.278 4.618 4.340 -0.000 0.000 0.422 11 R C -1.172 175.300 176.300 0.287 0.000 1.073 11 R CA -0.117 56.149 56.100 0.276 0.000 1.054 11 R CB 0.319 30.684 30.300 0.108 0.000 1.373 11 R HN 0.069 nan 8.270 nan 0.000 0.593 12 D N 0.975 121.595 120.400 0.367 0.000 2.945 12 D HA 0.079 4.719 4.640 -0.000 0.000 0.340 12 D C -0.105 176.465 176.300 0.450 0.000 1.240 12 D CA -0.530 53.693 54.000 0.371 0.000 0.749 12 D CB 0.004 41.030 40.800 0.376 0.000 1.217 12 D HN 0.209 nan 8.370 nan 0.000 0.514 13 L N 1.694 123.113 121.223 0.326 0.000 2.416 13 L HA 0.287 4.627 4.340 -0.000 0.000 0.243 13 L C 0.613 177.527 176.870 0.074 0.000 1.373 13 L CA 0.057 54.993 54.840 0.160 0.000 1.227 13 L CB -0.847 41.253 42.059 0.068 0.000 1.428 13 L HN 0.231 nan 8.230 nan 0.000 0.425 14 R N -0.249 120.315 120.500 0.107 0.000 2.712 14 R HA 0.382 4.722 4.340 -0.000 0.000 0.272 14 R C -0.690 175.639 176.300 0.049 0.000 1.032 14 R CA -1.032 55.098 56.100 0.049 0.000 0.874 14 R CB 1.093 31.439 30.300 0.076 0.000 1.256 14 R HN -0.059 nan 8.270 nan 0.000 0.468 15 L N 0.718 121.914 121.223 -0.044 0.000 2.470 15 L HA 0.226 4.566 4.340 -0.000 0.000 0.219 15 L C 0.417 177.243 176.870 -0.074 0.000 1.071 15 L CA 1.074 55.847 54.840 -0.111 0.000 0.850 15 L CB 0.488 42.416 42.059 -0.218 0.000 1.040 15 L HN 0.830 nan 8.230 nan 0.000 0.475 16 S N -1.146 114.534 115.700 -0.034 0.000 2.601 16 S HA 0.208 4.678 4.470 -0.000 0.000 0.271 16 S C 0.389 174.995 174.600 0.011 0.000 1.305 16 S CA -0.318 57.873 58.200 -0.015 0.000 1.022 16 S CB 0.859 64.060 63.200 0.001 0.000 0.940 16 S HN 0.299 nan 8.310 nan 0.000 0.525 17 D N 0.643 121.050 120.400 0.012 0.000 2.779 17 D HA -0.236 4.404 4.640 -0.000 0.000 0.223 17 D C -0.727 175.596 176.300 0.037 0.000 1.227 17 D CA 0.785 54.803 54.000 0.031 0.000 0.653 17 D CB -1.467 39.368 40.800 0.058 0.000 0.973 17 D HN 0.630 nan 8.370 nan 0.000 0.402 18 N N 1.983 120.683 118.700 0.001 0.000 2.524 18 N HA 0.112 4.852 4.740 -0.000 0.000 0.261 18 N C 1.311 176.806 175.510 -0.025 0.000 0.998 18 N CA -0.767 52.280 53.050 -0.005 0.000 0.915 18 N CB 0.605 39.050 38.487 -0.071 0.000 1.187 18 N HN 0.001 nan 8.380 nan 0.000 0.507 19 I N 2.341 122.934 120.570 0.039 0.000 2.091 19 I HA -0.193 3.977 4.170 -0.000 0.000 0.239 19 I C 2.257 178.415 176.117 0.069 0.000 1.061 19 I CA 1.647 62.979 61.300 0.054 0.000 1.317 19 I CB -1.445 36.608 38.000 0.088 0.000 1.031 19 I HN 0.603 nan 8.210 nan 0.000 0.401 20 G N 0.454 109.339 108.800 0.142 0.000 2.422 20 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 20 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 20 G C 1.761 176.742 174.900 0.135 0.000 1.146 20 G CA 0.487 45.781 45.100 0.324 0.000 0.769 20 G HN 0.303 nan 8.290 nan 0.000 0.547 21 L N 1.210 122.175 121.223 -0.431 0.000 2.056 21 L HA 0.240 4.580 4.340 -0.000 0.000 0.207 21 L C 3.056 179.759 176.870 -0.279 0.000 1.078 21 L CA 1.956 56.368 54.840 -0.713 0.000 0.749 21 L CB -0.661 40.893 42.059 -0.841 0.000 0.901 21 L HN 0.220 nan 8.230 nan 0.000 0.433 22 A N -0.636 122.085 122.820 -0.165 0.000 1.902 22 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 22 A C 2.433 179.976 177.584 -0.067 0.000 1.181 22 A CA 1.675 53.656 52.037 -0.093 0.000 0.623 22 A CB -1.076 17.894 19.000 -0.050 0.000 0.818 22 A HN 0.528 nan 8.150 nan 0.000 0.443 23 A N -0.139 122.670 122.820 -0.019 0.000 1.902 23 A HA 0.175 4.495 4.320 -0.000 0.000 0.217 23 A C 2.493 179.996 177.584 -0.134 0.000 1.181 23 A CA 2.028 54.085 52.037 0.033 0.000 0.623 23 A CB -0.960 18.163 19.000 0.205 0.000 0.818 23 A HN 1.015 nan 8.150 nan 0.000 0.443 24 A N -0.227 122.372 122.820 -0.369 0.000 1.898 24 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 24 A C 2.164 179.550 177.584 -0.330 0.000 1.181 24 A CA 2.046 53.624 52.037 -0.766 0.000 0.620 24 A CB -0.445 18.186 19.000 -0.616 0.000 0.819 24 A HN 0.434 nan 8.150 nan 0.000 0.442 25 R N 0.401 120.788 120.500 -0.189 0.000 2.127 25 R HA -0.048 4.292 4.340 -0.000 0.000 0.238 25 R C 1.933 178.185 176.300 -0.080 0.000 1.134 25 R CA 1.768 57.805 56.100 -0.106 0.000 0.975 25 R CB -0.855 29.395 30.300 -0.083 0.000 0.865 25 R HN 0.403 nan 8.270 nan 0.000 0.447 26 A N -0.250 122.523 122.820 -0.078 0.000 2.121 26 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 26 A C 1.641 179.204 177.584 -0.035 0.000 1.154 26 A CA 1.043 53.056 52.037 -0.041 0.000 0.679 26 A CB -0.180 18.808 19.000 -0.020 0.000 0.795 26 A HN 0.333 nan 8.150 nan 0.000 0.458 27 Q N -1.098 118.663 119.800 -0.066 0.000 2.373 27 Q HA 0.175 4.515 4.340 -0.000 0.000 0.210 27 Q C 0.326 176.308 176.000 -0.030 0.000 0.913 27 Q CA 0.904 56.685 55.803 -0.038 0.000 0.911 27 Q CB 0.439 29.150 28.738 -0.045 0.000 1.040 27 Q HN 0.497 nan 8.270 nan 0.000 0.521 28 S N -1.931 113.741 115.700 -0.047 0.000 2.558 28 S HA 0.570 5.040 4.470 -0.000 0.000 0.277 28 S C -0.701 173.891 174.600 -0.014 0.000 1.143 28 S CA 0.071 58.259 58.200 -0.020 0.000 0.865 28 S CB 1.246 64.442 63.200 -0.007 0.000 1.102 28 S HN 0.065 nan 8.310 nan 0.000 0.454 29 A N 2.269 125.090 122.820 0.002 0.000 2.132 29 A HA 0.245 4.565 4.320 -0.000 0.000 0.213 29 A C 1.141 178.743 177.584 0.030 0.000 1.154 29 A CA 0.499 52.542 52.037 0.011 0.000 0.753 29 A CB -0.331 18.676 19.000 0.011 0.000 0.826 29 A HN 0.755 nan 8.150 nan 0.000 0.469 30 Q N 0.664 120.483 119.800 0.031 0.000 3.027 30 Q HA 0.350 4.690 4.340 -0.000 0.000 0.260 30 Q C -1.176 174.860 176.000 0.060 0.000 1.379 30 Q CA -0.343 55.487 55.803 0.045 0.000 1.038 30 Q CB -0.302 28.458 28.738 0.037 0.000 1.578 30 Q HN 0.358 nan 8.270 nan 0.000 0.571 31 L N 4.010 125.283 121.223 0.084 0.000 2.265 31 L HA 0.424 4.764 4.340 -0.000 0.000 0.289 31 L C -1.218 175.765 176.870 0.189 0.000 1.033 31 L CA -0.404 54.511 54.840 0.126 0.000 0.814 31 L CB 0.982 43.112 42.059 0.117 0.000 1.203 31 L HN 0.333 nan 8.230 nan 0.000 0.423 32 I N 4.929 125.591 120.570 0.154 0.000 2.378 32 I HA 0.447 4.617 4.170 -0.000 0.000 0.291 32 I C 0.881 177.021 176.117 0.039 0.000 0.992 32 I CA -0.475 60.870 61.300 0.074 0.000 1.154 32 I CB 1.012 39.035 38.000 0.039 0.000 1.315 32 I HN 0.670 nan 8.210 nan 0.000 0.448 33 G N 5.622 114.224 108.800 -0.332 0.000 2.503 33 G HA2 0.505 4.465 3.960 -0.000 0.000 0.257 33 G HA3 0.505 4.465 3.960 -0.000 0.000 0.257 33 G C -1.079 173.794 174.900 -0.044 0.000 1.214 33 G CA -0.177 44.745 45.100 -0.298 0.000 0.839 33 G HN 0.501 nan 8.290 nan 0.000 0.559 34 L N 0.630 121.993 121.223 0.232 0.000 2.482 34 L HA 0.836 5.176 4.340 -0.000 0.000 0.263 34 L C -1.902 175.215 176.870 0.412 0.000 0.957 34 L CA -1.048 53.913 54.840 0.201 0.000 0.836 34 L CB 2.054 44.160 42.059 0.078 0.000 1.324 34 L HN 0.498 nan 8.230 nan 0.000 0.406 35 F N 4.816 124.876 119.950 0.183 0.000 2.581 35 F HA 0.630 5.157 4.527 -0.000 0.000 0.311 35 F C -1.218 174.672 175.800 0.151 0.000 1.113 35 F CA -0.655 57.498 58.000 0.255 0.000 0.935 35 F CB 1.612 40.727 39.000 0.193 0.000 1.232 35 F HN 0.742 nan 8.300 nan 0.000 0.445 36 C N 8.400 127.494 119.300 -0.343 0.000 2.293 36 C HA 0.595 5.055 4.460 -0.000 0.000 0.323 36 C C -0.396 174.497 174.990 -0.162 0.000 1.240 36 C CA -0.874 58.044 59.018 -0.167 0.000 1.497 36 C CB -0.716 26.903 27.740 -0.201 0.000 2.171 36 C HN 0.784 nan 8.230 nan 0.000 0.465 37 L N 5.727 127.035 121.223 0.142 0.000 2.530 37 L HA 0.196 4.536 4.340 -0.000 0.000 0.273 37 L C 0.316 177.257 176.870 0.118 0.000 1.141 37 L CA 0.606 55.591 54.840 0.240 0.000 0.905 37 L CB 0.072 42.282 42.059 0.251 0.000 1.202 37 L HN 0.657 nan 8.230 nan 0.000 0.473 38 D N 6.103 126.570 120.400 0.110 0.000 2.373 38 D HA 0.228 4.868 4.640 -0.000 0.000 0.227 38 D C -1.696 174.655 176.300 0.085 0.000 1.091 38 D CA -2.169 51.885 54.000 0.090 0.000 0.840 38 D CB 1.933 42.798 40.800 0.107 0.000 1.060 38 D HN 0.148 nan 8.370 nan 0.000 0.502 39 P HA -0.142 nan 4.420 nan 0.000 0.218 39 P C 1.146 178.460 177.300 0.023 0.000 1.148 39 P CA 1.142 64.279 63.100 0.061 0.000 0.822 39 P CB 0.318 32.050 31.700 0.054 0.000 0.784 40 Q N -1.201 118.594 119.800 -0.008 0.000 2.226 40 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 40 Q C 1.948 177.819 176.000 -0.215 0.000 0.975 40 Q CA 1.047 56.780 55.803 -0.117 0.000 0.866 40 Q CB -0.342 28.303 28.738 -0.155 0.000 0.915 40 Q HN 0.365 nan 8.270 nan 0.000 0.440 41 I N -0.583 119.902 120.570 -0.141 0.000 2.685 41 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 41 I C 1.926 178.047 176.117 0.007 0.000 1.102 41 I CA 0.412 61.648 61.300 -0.108 0.000 1.442 41 I CB -0.037 37.945 38.000 -0.030 0.000 1.194 41 I HN 0.095 nan 8.210 nan 0.000 0.448 42 L N 0.327 121.594 121.223 0.074 0.000 2.131 42 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 42 L C 1.791 178.789 176.870 0.213 0.000 1.092 42 L CA 1.000 55.934 54.840 0.157 0.000 0.759 42 L CB -0.369 41.813 42.059 0.205 0.000 0.903 42 L HN 0.276 nan 8.230 nan 0.000 0.435 43 Q N -0.201 119.671 119.800 0.120 0.000 2.247 43 Q HA 0.141 4.481 4.340 -0.000 0.000 0.205 43 Q C 0.557 176.591 176.000 0.057 0.000 0.896 43 Q CA 0.008 55.867 55.803 0.093 0.000 0.950 43 Q CB 0.084 28.852 28.738 0.050 0.000 1.054 43 Q HN 0.244 nan 8.270 nan 0.000 0.482 44 S N -0.718 115.011 115.700 0.048 0.000 2.585 44 S HA 0.359 4.829 4.470 -0.000 0.000 0.273 44 S C 1.156 175.780 174.600 0.040 0.000 1.339 44 S CA 0.259 58.467 58.200 0.014 0.000 1.028 44 S CB 1.128 64.317 63.200 -0.017 0.000 0.906 44 S HN 0.338 nan 8.310 nan 0.000 0.528 45 A N 2.626 125.459 122.820 0.022 0.000 2.167 45 A HA 0.112 4.432 4.320 -0.000 0.000 0.214 45 A C 0.839 178.440 177.584 0.028 0.000 1.151 45 A CA 0.699 52.754 52.037 0.030 0.000 0.735 45 A CB -0.215 18.797 19.000 0.021 0.000 0.802 45 A HN 0.833 nan 8.150 nan 0.000 0.467 46 D N -0.451 119.958 120.400 0.015 0.000 2.587 46 D HA 0.246 4.886 4.640 -0.000 0.000 0.233 46 D C -0.105 176.190 176.300 -0.009 0.000 1.213 46 D CA 0.061 54.063 54.000 0.003 0.000 0.827 46 D CB 0.210 41.011 40.800 0.000 0.000 1.006 46 D HN 0.349 nan 8.370 nan 0.000 0.490 47 M N 1.235 120.841 119.600 0.010 0.000 2.363 47 M HA 0.532 5.012 4.480 -0.000 0.000 0.343 47 M C -1.098 175.162 176.300 -0.068 0.000 1.165 47 M CA -0.984 54.309 55.300 -0.011 0.000 1.046 47 M CB 1.627 34.266 32.600 0.064 0.000 1.648 47 M HN -0.033 nan 8.290 nan 0.000 0.452 48 A N 6.766 129.489 122.820 -0.162 0.000 2.317 48 A HA 0.748 5.068 4.320 -0.000 0.000 0.327 48 A C -2.161 175.233 177.584 -0.316 0.000 1.178 48 A CA -1.391 50.499 52.037 -0.244 0.000 0.817 48 A CB 0.388 19.232 19.000 -0.260 0.000 1.189 48 A HN 0.771 nan 8.150 nan 0.000 0.489 49 P HA -0.182 nan 4.420 nan 0.000 0.217 49 P C 1.464 178.489 177.300 -0.458 0.000 1.150 49 P CA 1.988 64.973 63.100 -0.191 0.000 0.832 49 P CB 0.153 31.959 31.700 0.178 0.000 0.787 50 A N 0.274 122.541 122.820 -0.921 0.000 1.933 50 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 50 A C 2.516 179.865 177.584 -0.392 0.000 1.175 50 A CA 1.650 52.903 52.037 -1.307 0.000 0.628 50 A CB -1.219 16.894 19.000 -1.479 0.000 0.814 50 A HN 0.066 nan 8.150 nan 0.000 0.444 51 R N -0.640 119.698 120.500 -0.270 0.000 2.073 51 R HA -0.043 4.297 4.340 -0.000 0.000 0.229 51 R C 1.860 178.118 176.300 -0.069 0.000 1.120 51 R CA 1.466 57.552 56.100 -0.024 0.000 0.967 51 R CB -0.262 30.055 30.300 0.030 0.000 0.862 51 R HN 0.315 nan 8.270 nan 0.000 0.436 52 V N 0.681 120.442 119.914 -0.255 0.000 2.515 52 V HA -0.150 3.970 4.120 -0.000 0.000 0.250 52 V C 2.325 178.311 176.094 -0.180 0.000 1.058 52 V CA 1.754 63.867 62.300 -0.312 0.000 1.064 52 V CB -0.532 30.846 31.823 -0.740 0.000 0.675 52 V HN 0.479 nan 8.190 nan 0.000 0.461 53 A N -0.787 121.990 122.820 -0.071 0.000 1.898 53 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 53 A C 2.162 179.759 177.584 0.021 0.000 1.181 53 A CA 1.859 53.971 52.037 0.126 0.000 0.620 53 A CB -0.702 18.548 19.000 0.416 0.000 0.819 53 A HN 0.610 nan 8.150 nan 0.000 0.442 54 Y N 0.058 120.261 120.300 -0.161 0.000 2.163 54 Y HA -0.140 4.410 4.550 -0.000 0.000 0.288 54 Y C 2.049 177.590 175.900 -0.600 0.000 1.136 54 Y CA 1.795 59.587 58.100 -0.513 0.000 1.147 54 Y CB -0.290 37.946 38.460 -0.374 0.000 0.987 54 Y HN 0.266 nan 8.280 nan 0.000 0.509 55 L N 0.626 121.481 121.223 -0.613 0.000 2.012 55 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 55 L C 2.429 178.973 176.870 -0.542 0.000 1.073 55 L CA 2.192 56.550 54.840 -0.804 0.000 0.748 55 L CB -1.172 40.520 42.059 -0.612 0.000 0.891 55 L HN 0.339 nan 8.230 nan 0.000 0.431 56 Q N -0.147 119.436 119.800 -0.361 0.000 2.096 56 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 56 Q C 2.046 177.873 176.000 -0.289 0.000 0.982 56 Q CA 1.930 57.579 55.803 -0.257 0.000 0.850 56 Q CB -0.579 28.085 28.738 -0.123 0.000 0.901 56 Q HN 0.687 nan 8.270 nan 0.000 0.422 57 G N -0.185 108.399 108.800 -0.360 0.000 2.408 57 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 57 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 57 G C 1.690 176.337 174.900 -0.421 0.000 1.150 57 G CA 0.876 45.754 45.100 -0.370 0.000 0.776 57 G HN 0.441 nan 8.290 nan 0.000 0.542 58 C N 0.237 119.197 119.300 -0.567 0.000 2.440 58 C HA 0.116 4.576 4.460 -0.000 0.000 0.278 58 C C 2.876 177.666 174.990 -0.334 0.000 1.295 58 C CA 0.356 59.093 59.018 -0.468 0.000 1.738 58 C CB -0.962 26.473 27.740 -0.508 0.000 1.987 58 C HN 0.423 nan 8.230 nan 0.000 0.492 59 L N 0.182 121.184 121.223 -0.369 0.000 2.093 59 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 59 L C 2.833 179.581 176.870 -0.203 0.000 1.085 59 L CA 1.402 56.048 54.840 -0.324 0.000 0.755 59 L CB -0.794 41.014 42.059 -0.418 0.000 0.904 59 L HN 0.460 nan 8.230 nan 0.000 0.435 60 Q N -0.180 119.506 119.800 -0.189 0.000 2.096 60 Q HA -0.289 4.051 4.340 -0.000 0.000 0.204 60 Q C 2.114 178.052 176.000 -0.102 0.000 0.982 60 Q CA 1.878 57.607 55.803 -0.123 0.000 0.850 60 Q CB -0.127 28.542 28.738 -0.115 0.000 0.901 60 Q HN 0.520 nan 8.270 nan 0.000 0.422 61 E N 0.452 120.573 120.200 -0.131 0.000 2.106 61 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 61 E C 1.989 178.545 176.600 -0.074 0.000 0.984 61 E CA 0.412 56.751 56.400 -0.101 0.000 0.806 61 E CB 0.057 29.683 29.700 -0.124 0.000 0.750 61 E HN 0.148 nan 8.360 nan 0.000 0.458 62 L N 1.371 122.541 121.223 -0.089 0.000 2.083 62 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 62 L C 2.147 179.064 176.870 0.079 0.000 1.083 62 L CA 1.737 56.555 54.840 -0.037 0.000 0.752 62 L CB -0.364 41.641 42.059 -0.090 0.000 0.899 62 L HN 0.170 nan 8.230 nan 0.000 0.433 63 Q N -1.007 118.814 119.800 0.034 0.000 2.061 63 Q HA -0.280 4.060 4.340 -0.000 0.000 0.204 63 Q C 2.155 178.206 176.000 0.085 0.000 0.984 63 Q CA 2.214 58.059 55.803 0.070 0.000 0.846 63 Q CB -0.256 28.490 28.738 0.012 0.000 0.902 63 Q HN 0.678 nan 8.270 nan 0.000 0.421 64 Q N -0.019 119.800 119.800 0.031 0.000 2.084 64 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 64 Q C 2.153 178.167 176.000 0.022 0.000 0.978 64 Q CA 0.740 56.555 55.803 0.020 0.000 0.844 64 Q CB -0.106 28.626 28.738 -0.009 0.000 0.898 64 Q HN 0.202 nan 8.270 nan 0.000 0.426 65 R N 0.023 120.523 120.500 -0.000 0.000 2.091 65 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 65 R C 2.000 178.260 176.300 -0.067 0.000 1.136 65 R CA 1.416 57.483 56.100 -0.056 0.000 0.959 65 R CB -0.566 29.665 30.300 -0.115 0.000 0.856 65 R HN 0.385 nan 8.270 nan 0.000 0.437 66 Y N 1.571 121.871 120.300 0.000 0.000 2.200 66 Y HA -0.177 4.373 4.550 0.000 0.000 0.290 66 Y C 2.711 178.623 175.900 0.019 0.000 1.137 66 Y CA 1.482 59.596 58.100 0.024 0.000 1.163 66 Y CB -0.236 38.250 38.460 0.044 0.000 0.988 66 Y HN 0.155 nan 8.280 nan 0.000 0.518 67 Q N -0.185 119.717 119.800 0.171 0.000 2.061 67 Q HA -0.287 4.053 4.340 -0.000 0.000 0.204 67 Q C 2.127 178.163 176.000 0.059 0.000 0.984 67 Q CA 1.991 57.853 55.803 0.099 0.000 0.846 67 Q CB -0.337 28.441 28.738 0.067 0.000 0.902 67 Q HN 0.614 nan 8.270 nan 0.000 0.421 68 Q N 0.006 119.827 119.800 0.034 0.000 2.124 68 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 68 Q C 2.000 178.003 176.000 0.004 0.000 0.977 68 Q CA 1.192 57.001 55.803 0.010 0.000 0.850 68 Q CB -0.162 28.572 28.738 -0.007 0.000 0.901 68 Q HN 0.361 nan 8.270 nan 0.000 0.429 69 A N -0.029 122.788 122.820 -0.004 0.000 2.119 69 A HA 0.168 4.487 4.320 -0.000 0.000 0.217 69 A C 1.659 179.256 177.584 0.022 0.000 1.153 69 A CA 1.289 53.316 52.037 -0.015 0.000 0.692 69 A CB -0.133 18.822 19.000 -0.074 0.000 0.799 69 A HN 0.510 nan 8.150 nan 0.000 0.458 70 G N -1.939 106.893 108.800 0.052 0.000 2.421 70 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.188 70 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.188 70 G C 0.771 175.722 174.900 0.086 0.000 1.001 70 G CA 0.815 45.950 45.100 0.058 0.000 0.693 70 G HN 1.471 nan 8.290 nan 0.000 0.479 71 S N -0.059 115.726 115.700 0.141 0.000 4.422 71 S HA 0.885 5.355 4.470 -0.000 0.000 0.210 71 S C 0.141 174.831 174.600 0.151 0.000 1.082 71 S CA 0.585 58.873 58.200 0.147 0.000 1.813 71 S CB 1.179 64.487 63.200 0.180 0.000 0.877 71 S HN 1.519 nan 8.310 nan 0.000 0.755 72 R N -0.787 119.790 120.500 0.129 0.000 2.741 72 R HA 0.674 5.014 4.340 -0.000 0.000 0.276 72 R C -2.360 173.817 176.300 -0.205 0.000 1.028 72 R CA -0.953 55.173 56.100 0.045 0.000 0.865 72 R CB 0.653 30.965 30.300 0.020 0.000 1.268 72 R HN 0.545 nan 8.270 nan 0.000 0.475 73 L N 2.054 123.172 121.223 -0.174 0.000 2.276 73 L HA 0.455 4.795 4.340 -0.000 0.000 0.286 73 L C -1.107 175.713 176.870 -0.084 0.000 1.024 73 L CA -0.591 54.087 54.840 -0.269 0.000 0.826 73 L CB 1.291 43.280 42.059 -0.117 0.000 1.211 73 L HN 0.583 nan 8.230 nan 0.000 0.422 74 L N 5.908 127.093 121.223 -0.062 0.000 2.380 74 L HA 0.365 4.705 4.340 -0.000 0.000 0.273 74 L C -0.509 176.391 176.870 0.050 0.000 1.138 74 L CA -0.262 54.575 54.840 -0.005 0.000 0.832 74 L CB 0.778 42.829 42.059 -0.013 0.000 1.124 74 L HN 0.537 nan 8.230 nan 0.000 0.454 75 L N 4.394 125.650 121.223 0.055 0.000 2.333 75 L HA 0.539 4.879 4.340 -0.000 0.000 0.280 75 L C -0.810 176.101 176.870 0.068 0.000 1.004 75 L CA -0.631 54.270 54.840 0.102 0.000 0.820 75 L CB 1.814 43.930 42.059 0.094 0.000 1.247 75 L HN 0.357 nan 8.230 nan 0.000 0.416 76 L N 2.717 123.984 121.223 0.074 0.000 2.301 76 L HA 0.587 4.927 4.340 -0.000 0.000 0.264 76 L C -0.466 176.436 176.870 0.054 0.000 1.016 76 L CA -0.343 54.513 54.840 0.026 0.000 0.821 76 L CB 1.899 43.931 42.059 -0.044 0.000 1.346 76 L HN 0.518 nan 8.230 nan 0.000 0.429 77 Q N 0.151 119.972 119.800 0.036 0.000 2.269 77 Q HA 0.648 4.988 4.340 -0.000 0.000 0.263 77 Q C -0.636 175.382 176.000 0.031 0.000 0.983 77 Q CA -0.053 55.782 55.803 0.053 0.000 0.777 77 Q CB 1.897 30.674 28.738 0.065 0.000 1.273 77 Q HN 0.894 nan 8.270 nan 0.000 0.440 78 G N 2.323 111.143 108.800 0.032 0.000 2.339 78 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.275 78 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.275 78 G C -1.755 173.164 174.900 0.032 0.000 1.323 78 G CA -0.784 44.334 45.100 0.031 0.000 0.927 78 G HN 0.535 nan 8.290 nan 0.000 0.486 79 D N 1.654 122.084 120.400 0.050 0.000 2.338 79 D HA 0.380 5.020 4.640 -0.000 0.000 0.255 79 D C -0.471 175.818 176.300 -0.018 0.000 1.237 79 D CA -1.745 52.294 54.000 0.066 0.000 0.883 79 D CB 1.652 42.551 40.800 0.165 0.000 1.087 79 D HN 0.063 nan 8.370 nan 0.000 0.485 80 P HA -0.166 nan 4.420 nan 0.000 0.220 80 P C 1.085 178.194 177.300 -0.319 0.000 1.148 80 P CA 0.958 63.904 63.100 -0.258 0.000 0.803 80 P CB 0.416 31.965 31.700 -0.251 0.000 0.782 81 Q N -1.339 118.301 119.800 -0.266 0.000 2.234 81 Q HA -0.181 4.159 4.340 -0.000 0.000 0.206 81 Q C 2.058 177.775 176.000 -0.471 0.000 0.980 81 Q CA 1.166 56.740 55.803 -0.382 0.000 0.869 81 Q CB -0.294 28.184 28.738 -0.433 0.000 0.912 81 Q HN 0.577 nan 8.270 nan 0.000 0.436 82 H N -0.942 118.059 119.070 -0.115 0.000 2.460 82 H HA 0.111 4.667 4.556 -0.000 0.000 0.297 82 H C 2.093 177.346 175.328 -0.125 0.000 1.023 82 H CA 0.450 56.440 56.048 -0.098 0.000 1.321 82 H CB 0.226 29.950 29.762 -0.064 0.000 1.455 82 H HN 0.155 nan 8.280 nan 0.000 0.539 83 L N 0.647 121.843 121.223 -0.046 0.000 2.109 83 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 83 L C 2.349 179.100 176.870 -0.198 0.000 1.086 83 L CA 0.571 55.348 54.840 -0.106 0.000 0.760 83 L CB -0.198 41.795 42.059 -0.110 0.000 0.910 83 L HN 0.158 nan 8.230 nan 0.000 0.437 84 I N 0.275 120.643 120.570 -0.336 0.000 2.179 84 I HA -0.147 4.023 4.170 -0.000 0.000 0.242 84 I C 0.025 175.991 176.117 -0.252 0.000 1.088 84 I CA 1.690 62.732 61.300 -0.430 0.000 1.357 84 I CB -2.428 35.101 38.000 -0.784 0.000 1.051 84 I HN 0.159 nan 8.210 nan 0.000 0.409 85 P HA -0.179 nan 4.420 nan 0.000 0.216 85 P C 1.857 179.115 177.300 -0.070 0.000 1.153 85 P CA 1.368 64.405 63.100 -0.104 0.000 0.848 85 P CB -0.079 31.572 31.700 -0.083 0.000 0.787 86 Q N -0.572 119.188 119.800 -0.066 0.000 2.061 86 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 86 Q C 2.021 177.991 176.000 -0.049 0.000 0.984 86 Q CA 1.396 57.174 55.803 -0.043 0.000 0.846 86 Q CB -0.733 27.986 28.738 -0.032 0.000 0.902 86 Q HN 0.077 nan 8.270 nan 0.000 0.421 87 L N 0.513 121.692 121.223 -0.074 0.000 2.017 87 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 87 L C 2.222 179.063 176.870 -0.048 0.000 1.073 87 L CA 2.302 57.102 54.840 -0.066 0.000 0.745 87 L CB -0.908 41.093 42.059 -0.096 0.000 0.894 87 L HN 0.246 nan 8.230 nan 0.000 0.432 88 A N -1.077 121.710 122.820 -0.055 0.000 1.940 88 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 88 A C 2.192 179.770 177.584 -0.010 0.000 1.176 88 A CA 1.927 53.950 52.037 -0.023 0.000 0.631 88 A CB -0.592 18.399 19.000 -0.016 0.000 0.814 88 A HN 0.696 nan 8.150 nan 0.000 0.446 89 Q N -1.215 118.575 119.800 -0.016 0.000 2.046 89 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 89 Q C 2.314 178.311 176.000 -0.006 0.000 0.975 89 Q CA 1.270 57.069 55.803 -0.008 0.000 0.836 89 Q CB -0.197 28.536 28.738 -0.010 0.000 0.896 89 Q HN 0.574 nan 8.270 nan 0.000 0.428 90 Q N 0.343 120.136 119.800 -0.011 0.000 2.170 90 Q HA -0.119 4.221 4.340 -0.000 0.000 0.203 90 Q C 1.843 177.841 176.000 -0.004 0.000 0.976 90 Q CA 0.889 56.687 55.803 -0.008 0.000 0.858 90 Q CB 0.005 28.736 28.738 -0.012 0.000 0.907 90 Q HN 0.244 nan 8.270 nan 0.000 0.433 91 L N 0.737 121.958 121.223 -0.003 0.000 2.558 91 L HA 0.035 4.375 4.340 -0.000 0.000 0.225 91 L C 0.266 177.142 176.870 0.010 0.000 1.128 91 L CA 0.928 55.770 54.840 0.004 0.000 0.868 91 L CB -0.009 42.052 42.059 0.004 0.000 1.006 91 L HN 0.204 nan 8.230 nan 0.000 0.454 92 Q N -0.522 119.284 119.800 0.009 0.000 2.468 92 Q HA -0.219 4.121 4.340 -0.000 0.000 0.289 92 Q C 0.478 176.491 176.000 0.022 0.000 1.299 92 Q CA 0.379 56.190 55.803 0.014 0.000 0.838 92 Q CB -2.113 26.632 28.738 0.013 0.000 1.195 92 Q HN 0.602 nan 8.270 nan 0.000 0.456 93 A N 0.564 123.400 122.820 0.027 0.000 2.483 93 A HA 0.066 4.386 4.320 -0.000 0.000 0.238 93 A C 1.156 178.770 177.584 0.050 0.000 1.070 93 A CA 0.352 52.415 52.037 0.043 0.000 0.770 93 A CB 0.495 19.526 19.000 0.052 0.000 1.008 93 A HN 0.403 nan 8.150 nan 0.000 0.497 94 E N 0.235 120.472 120.200 0.062 0.000 2.230 94 E HA 0.247 4.597 4.350 -0.000 0.000 0.192 94 E C 0.399 177.052 176.600 0.089 0.000 0.987 94 E CA 1.199 57.638 56.400 0.065 0.000 0.841 94 E CB 0.208 29.947 29.700 0.064 0.000 0.783 94 E HN 0.859 nan 8.360 nan 0.000 0.481 95 A N -0.460 122.436 122.820 0.128 0.000 2.601 95 A HA 0.532 4.852 4.320 -0.000 0.000 0.291 95 A C -1.581 176.143 177.584 0.233 0.000 1.075 95 A CA -0.568 51.574 52.037 0.174 0.000 0.671 95 A CB 1.661 20.827 19.000 0.278 0.000 1.277 95 A HN -0.077 nan 8.150 nan 0.000 0.417 96 V N 1.117 121.171 119.914 0.234 0.000 2.525 96 V HA 0.540 4.660 4.120 -0.000 0.000 0.299 96 V C -1.483 174.784 176.094 0.290 0.000 1.034 96 V CA -0.432 62.054 62.300 0.311 0.000 0.863 96 V CB 1.244 33.258 31.823 0.318 0.000 0.999 96 V HN 0.757 nan 8.190 nan 0.000 0.423 97 Y N 3.755 124.128 120.300 0.120 0.000 2.457 97 Y HA 0.820 5.370 4.550 -0.000 0.000 0.333 97 Y C -0.105 175.724 175.900 -0.117 0.000 1.119 97 Y CA -0.934 57.173 58.100 0.012 0.000 1.143 97 Y CB 1.978 40.582 38.460 0.240 0.000 1.230 97 Y HN 0.844 nan 8.280 nan 0.000 0.469 98 W N 0.915 122.095 121.300 -0.200 0.000 3.057 98 W HA 0.519 5.179 4.660 0.000 0.000 0.328 98 W C -2.204 174.195 176.519 -0.199 0.000 1.232 98 W CA -1.029 56.025 57.345 -0.485 0.000 1.187 98 W CB 0.654 29.820 29.460 -0.492 0.000 1.417 98 W HN 0.234 nan 8.180 nan 0.000 0.569 99 N N 2.453 121.246 118.700 0.156 0.000 2.438 99 N HA 0.201 4.941 4.740 -0.000 0.000 0.282 99 N C -0.352 175.142 175.510 -0.027 0.000 1.037 99 N CA -0.624 52.460 53.050 0.056 0.000 0.942 99 N CB 1.523 40.104 38.487 0.157 0.000 1.136 99 N HN 0.527 nan 8.380 nan 0.000 0.481 100 Q N 0.587 120.187 119.800 -0.334 0.000 2.479 100 Q HA 0.031 4.371 4.340 -0.000 0.000 0.267 100 Q C -0.497 175.291 176.000 -0.354 0.000 1.071 100 Q CA 0.519 56.005 55.803 -0.528 0.000 0.935 100 Q CB 0.642 28.546 28.738 -1.390 0.000 1.295 100 Q HN 0.519 nan 8.270 nan 0.000 0.476 101 D N -0.069 120.223 120.400 -0.180 0.000 2.533 101 D HA 0.247 4.887 4.640 -0.000 0.000 0.247 101 D C -0.010 176.430 176.300 0.234 0.000 1.056 101 D CA -0.695 53.336 54.000 0.051 0.000 1.054 101 D CB 1.034 41.838 40.800 0.007 0.000 1.400 101 D HN 0.437 nan 8.370 nan 0.000 0.533 102 I N -1.691 119.057 120.570 0.296 0.000 4.082 102 I HA 0.350 4.520 4.170 -0.000 0.000 0.337 102 I C -0.284 175.968 176.117 0.226 0.000 1.352 102 I CA 0.076 61.601 61.300 0.374 0.000 1.097 102 I CB -0.763 37.448 38.000 0.352 0.000 1.048 102 I HN 0.215 nan 8.210 nan 0.000 0.393 103 E N 2.766 123.060 120.200 0.156 0.000 2.331 103 E HA 0.212 4.562 4.350 -0.000 0.000 0.272 103 E C -1.750 174.910 176.600 0.100 0.000 1.036 103 E CA -1.631 54.844 56.400 0.125 0.000 0.864 103 E CB 0.932 30.706 29.700 0.122 0.000 1.035 103 E HN 0.034 nan 8.360 nan 0.000 0.408 104 P HA -0.243 nan 4.420 nan 0.000 0.216 104 P C 1.041 178.387 177.300 0.076 0.000 1.157 104 P CA 1.294 64.439 63.100 0.075 0.000 0.880 104 P CB -0.007 31.747 31.700 0.090 0.000 0.791 105 Y N 0.457 120.766 120.300 0.015 0.000 2.114 105 Y HA -0.141 4.409 4.550 -0.000 0.000 0.284 105 Y C 2.480 178.374 175.900 -0.009 0.000 1.143 105 Y CA 2.195 60.298 58.100 0.005 0.000 1.135 105 Y CB -1.211 37.253 38.460 0.007 0.000 0.980 105 Y HN -0.134 nan 8.280 nan 0.000 0.499 106 G N 0.140 108.898 108.800 -0.070 0.000 2.440 106 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 106 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 106 G C 1.770 176.547 174.900 -0.204 0.000 1.154 106 G CA 0.932 45.918 45.100 -0.191 0.000 0.767 106 G HN 0.392 nan 8.290 nan 0.000 0.552 107 R N -0.082 120.360 120.500 -0.097 0.000 2.090 107 R HA -0.009 4.331 4.340 -0.000 0.000 0.228 107 R C 2.208 178.455 176.300 -0.089 0.000 1.110 107 R CA 1.174 57.239 56.100 -0.058 0.000 0.973 107 R CB -0.283 30.018 30.300 0.001 0.000 0.869 107 R HN 0.375 nan 8.270 nan 0.000 0.440 108 D N 0.910 121.230 120.400 -0.132 0.000 2.097 108 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 108 D C 1.983 178.172 176.300 -0.184 0.000 0.984 108 D CA 1.209 55.132 54.000 -0.130 0.000 0.826 108 D CB 0.008 40.737 40.800 -0.119 0.000 0.973 108 D HN 0.024 nan 8.370 nan 0.000 0.460 109 R N 0.164 120.458 120.500 -0.342 0.000 2.083 109 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 109 R C 1.336 177.530 176.300 -0.177 0.000 1.137 109 R CA 1.985 57.881 56.100 -0.341 0.000 0.951 109 R CB -0.334 29.631 30.300 -0.558 0.000 0.851 109 R HN 0.164 nan 8.270 nan 0.000 0.434 110 D N -0.498 119.813 120.400 -0.149 0.000 2.144 110 D HA -0.083 4.557 4.640 -0.000 0.000 0.199 110 D C 1.747 178.126 176.300 0.131 0.000 0.984 110 D CA 1.486 55.484 54.000 -0.002 0.000 0.834 110 D CB -0.546 40.307 40.800 0.089 0.000 0.955 110 D HN 0.530 nan 8.370 nan 0.000 0.465 111 G N 0.585 109.409 108.800 0.041 0.000 2.418 111 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 111 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 111 G C 1.567 176.482 174.900 0.026 0.000 1.158 111 G CA 0.476 45.602 45.100 0.043 0.000 0.771 111 G HN 0.159 nan 8.290 nan 0.000 0.545 112 Q N 0.212 119.997 119.800 -0.025 0.000 2.079 112 Q HA -0.029 4.311 4.340 -0.000 0.000 0.200 112 Q C 2.991 178.963 176.000 -0.048 0.000 0.974 112 Q CA 0.972 56.743 55.803 -0.054 0.000 0.840 112 Q CB -0.823 27.850 28.738 -0.109 0.000 0.898 112 Q HN 0.407 nan 8.270 nan 0.000 0.430 113 V N 1.366 121.253 119.914 -0.046 0.000 2.295 113 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 113 V C 2.415 178.578 176.094 0.115 0.000 1.049 113 V CA 1.784 64.053 62.300 -0.051 0.000 1.024 113 V CB -1.131 30.588 31.823 -0.174 0.000 0.648 113 V HN 0.324 nan 8.190 nan 0.000 0.447 114 A N -0.016 122.967 122.820 0.271 0.000 1.902 114 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 114 A C 2.417 180.059 177.584 0.097 0.000 1.181 114 A CA 2.130 54.328 52.037 0.269 0.000 0.623 114 A CB -0.763 18.375 19.000 0.230 0.000 0.818 114 A HN 0.572 nan 8.150 nan 0.000 0.443 115 A N -0.182 122.672 122.820 0.056 0.000 1.902 115 A HA 0.182 4.502 4.320 -0.000 0.000 0.217 115 A C 2.507 180.097 177.584 0.010 0.000 1.181 115 A CA 2.033 54.082 52.037 0.020 0.000 0.623 115 A CB -1.000 18.003 19.000 0.006 0.000 0.818 115 A HN 1.043 nan 8.150 nan 0.000 0.443 116 A N -0.262 122.559 122.820 0.001 0.000 1.902 116 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 116 A C 2.177 179.762 177.584 0.001 0.000 1.181 116 A CA 1.485 53.516 52.037 -0.011 0.000 0.623 116 A CB -0.594 18.380 19.000 -0.042 0.000 0.818 116 A HN 0.469 nan 8.150 nan 0.000 0.443 117 L N -0.742 120.494 121.223 0.020 0.000 2.046 117 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 117 L C 2.642 179.523 176.870 0.018 0.000 1.077 117 L CA 1.907 56.764 54.840 0.028 0.000 0.747 117 L CB -0.416 41.687 42.059 0.073 0.000 0.896 117 L HN 0.444 nan 8.230 nan 0.000 0.432 118 K N -0.291 120.117 120.400 0.015 0.000 2.057 118 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 118 K C 1.990 178.590 176.600 0.001 0.000 1.049 118 K CA 1.836 58.124 56.287 0.002 0.000 0.931 118 K CB -0.036 32.462 32.500 -0.004 0.000 0.714 118 K HN 0.203 nan 8.250 nan 0.000 0.440 119 T N 0.394 114.949 114.554 0.003 0.000 2.833 119 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 119 T C 1.585 176.286 174.700 0.002 0.000 1.054 119 T CA 1.251 63.352 62.100 0.002 0.000 1.135 119 T CB -0.130 68.739 68.868 0.001 0.000 0.869 119 T HN 0.375 nan 8.240 nan 0.000 0.466 120 A N 0.283 123.105 122.820 0.003 0.000 2.238 120 A HA 0.506 4.826 4.320 -0.000 0.000 0.208 120 A C 1.830 179.417 177.584 0.005 0.000 1.177 120 A CA 0.744 52.783 52.037 0.003 0.000 0.804 120 A CB -0.721 18.281 19.000 0.002 0.000 0.823 120 A HN 0.705 nan 8.150 nan 0.000 0.482 121 G N -0.861 107.942 108.800 0.005 0.000 2.147 121 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 121 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 121 G C -0.043 174.863 174.900 0.010 0.000 1.005 121 G CA 0.358 45.461 45.100 0.005 0.000 0.713 121 G HN 0.495 nan 8.290 nan 0.000 0.515 122 I N 0.060 120.637 120.570 0.012 0.000 2.378 122 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 122 I C 0.858 176.982 176.117 0.012 0.000 0.992 122 I CA -1.067 60.246 61.300 0.021 0.000 1.154 122 I CB 1.561 39.579 38.000 0.030 0.000 1.315 122 I HN 0.092 nan 8.210 nan 0.000 0.448 123 R N 4.450 124.954 120.500 0.008 0.000 2.489 123 R HA 0.479 4.819 4.340 -0.000 0.000 0.287 123 R C -0.510 175.743 176.300 -0.078 0.000 1.053 123 R CA -0.048 56.030 56.100 -0.036 0.000 1.036 123 R CB 0.663 30.949 30.300 -0.023 0.000 0.966 123 R HN 0.774 nan 8.270 nan 0.000 0.432 124 A N 4.581 127.299 122.820 -0.170 0.000 2.310 124 A HA 0.442 4.762 4.320 -0.000 0.000 0.304 124 A C -1.118 176.118 177.584 -0.580 0.000 1.231 124 A CA -0.679 51.167 52.037 -0.317 0.000 0.799 124 A CB 1.328 20.219 19.000 -0.182 0.000 1.162 124 A HN 0.488 nan 8.150 nan 0.000 0.486 125 V N 3.495 122.904 119.914 -0.843 0.000 2.384 125 V HA 0.378 4.498 4.120 -0.000 0.000 0.287 125 V C -0.303 175.185 176.094 -1.011 0.000 1.020 125 V CA -0.351 61.399 62.300 -0.917 0.000 0.850 125 V CB 1.172 32.206 31.823 -1.316 0.000 0.987 125 V HN 0.922 nan 8.190 nan 0.000 0.436 126 Q N 5.575 124.860 119.800 -0.859 0.000 2.357 126 Q HA 0.668 5.008 4.340 -0.000 0.000 0.266 126 Q C -1.169 174.512 176.000 -0.532 0.000 1.021 126 Q CA -0.358 54.918 55.803 -0.878 0.000 0.784 126 Q CB 2.369 30.595 28.738 -0.853 0.000 1.243 126 Q HN 0.627 nan 8.270 nan 0.000 0.465 127 L N 0.803 121.795 121.223 -0.384 0.000 2.313 127 L HA 0.553 4.893 4.340 -0.000 0.000 0.268 127 L C -0.639 176.076 176.870 -0.258 0.000 1.010 127 L CA -1.037 53.664 54.840 -0.231 0.000 0.814 127 L CB 1.336 43.369 42.059 -0.044 0.000 1.304 127 L HN 0.551 nan 8.230 nan 0.000 0.441 128 W N 0.757 122.042 121.300 -0.025 0.000 2.322 128 W HA 0.212 4.872 4.660 -0.000 0.000 0.307 128 W C 0.491 177.019 176.519 0.014 0.000 1.220 128 W CA 0.122 57.457 57.345 -0.017 0.000 1.210 128 W CB 1.286 30.714 29.460 -0.053 0.000 1.223 128 W HN 0.603 nan 8.180 nan 0.000 0.511 129 D N 0.110 120.698 120.400 0.313 0.000 2.331 129 D HA -0.150 4.490 4.640 -0.000 0.000 0.300 129 D C 1.755 178.183 176.300 0.215 0.000 1.090 129 D CA 0.215 54.344 54.000 0.216 0.000 0.905 129 D CB 0.241 41.149 40.800 0.180 0.000 1.600 129 D HN 0.506 nan 8.370 nan 0.000 0.511 130 Q N 0.519 120.476 119.800 0.261 0.000 2.482 130 Q HA 0.114 4.454 4.340 -0.000 0.000 0.209 130 Q C -0.090 176.037 176.000 0.211 0.000 0.961 130 Q CA 0.472 56.410 55.803 0.225 0.000 0.945 130 Q CB 0.294 29.166 28.738 0.223 0.000 1.012 130 Q HN 0.305 nan 8.270 nan 0.000 0.515 131 L N 0.509 121.855 121.223 0.206 0.000 2.370 131 L HA 0.311 4.651 4.340 -0.000 0.000 0.266 131 L C 0.665 177.566 176.870 0.051 0.000 1.002 131 L CA -0.758 54.182 54.840 0.167 0.000 0.818 131 L CB 1.865 44.023 42.059 0.164 0.000 1.325 131 L HN 0.016 nan 8.230 nan 0.000 0.418 132 L N 1.186 122.401 121.223 -0.013 0.000 2.217 132 L HA 0.009 4.349 4.340 -0.000 0.000 0.211 132 L C 0.129 176.537 176.870 -0.770 0.000 1.107 132 L CA 0.919 55.514 54.840 -0.409 0.000 0.783 132 L CB -0.196 41.501 42.059 -0.603 0.000 0.919 132 L HN 0.522 nan 8.230 nan 0.000 0.442 133 H N -1.243 117.795 119.070 -0.053 0.000 2.782 133 H HA 0.268 4.824 4.556 -0.000 0.000 0.347 133 H C -0.301 174.989 175.328 -0.063 0.000 1.038 133 H CA -0.867 55.116 56.048 -0.110 0.000 1.255 133 H CB 1.656 31.299 29.762 -0.199 0.000 1.623 133 H HN -0.028 nan 8.280 nan 0.000 0.525 134 S N 2.670 118.226 115.700 -0.241 0.000 2.593 134 S HA 0.106 4.576 4.470 -0.000 0.000 0.269 134 S C -1.713 172.381 174.600 -0.843 0.000 1.334 134 S CA -0.943 56.758 58.200 -0.831 0.000 1.015 134 S CB 1.573 64.087 63.200 -1.143 0.000 0.912 134 S HN 0.295 nan 8.310 nan 0.000 0.541 135 P HA -0.108 nan 4.420 nan 0.000 0.216 135 P C 0.557 177.611 177.300 -0.410 0.000 1.153 135 P CA 1.289 63.613 63.100 -1.293 0.000 0.858 135 P CB -0.040 30.637 31.700 -1.704 0.000 0.789 136 D N -1.488 118.698 120.400 -0.358 0.000 2.363 136 D HA -0.085 4.555 4.640 -0.000 0.000 0.226 136 D C 1.776 178.032 176.300 -0.074 0.000 1.020 136 D CA 0.556 54.510 54.000 -0.077 0.000 0.892 136 D CB -0.137 40.645 40.800 -0.030 0.000 0.900 136 D HN 0.351 nan 8.370 nan 0.000 0.531 137 Q N 0.027 119.755 119.800 -0.120 0.000 2.376 137 Q HA 0.017 4.357 4.340 -0.000 0.000 0.206 137 Q C -0.016 175.954 176.000 -0.050 0.000 0.921 137 Q CA 0.445 56.199 55.803 -0.082 0.000 0.911 137 Q CB 0.578 29.262 28.738 -0.089 0.000 1.032 137 Q HN 0.019 nan 8.270 nan 0.000 0.510 138 I N 2.650 123.253 120.570 0.054 0.000 2.428 138 I HA 0.364 4.534 4.170 -0.000 0.000 0.279 138 I C -0.815 175.441 176.117 0.230 0.000 1.040 138 I CA -0.210 61.164 61.300 0.124 0.000 1.171 138 I CB 0.851 38.970 38.000 0.198 0.000 1.312 138 I HN 0.136 nan 8.210 nan 0.000 0.470 139 L N 3.864 125.155 121.223 0.114 0.000 2.376 139 L HA 0.530 4.870 4.340 -0.000 0.000 0.258 139 L C 0.689 177.425 176.870 -0.224 0.000 1.013 139 L CA -0.721 54.072 54.840 -0.077 0.000 0.822 139 L CB 2.424 44.422 42.059 -0.101 0.000 1.388 139 L HN 0.557 nan 8.230 nan 0.000 0.413 140 S N -0.168 115.149 115.700 -0.637 0.000 2.626 140 S HA 0.170 4.640 4.470 -0.000 0.000 0.257 140 S C 1.255 175.749 174.600 -0.178 0.000 1.288 140 S CA 0.021 57.906 58.200 -0.526 0.000 0.980 140 S CB 1.022 63.858 63.200 -0.607 0.000 0.975 140 S HN 0.831 nan 8.310 nan 0.000 0.577 141 G N 0.517 109.267 108.800 -0.083 0.000 2.462 141 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 141 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 141 G C 1.389 176.254 174.900 -0.059 0.000 1.121 141 G CA 0.941 46.013 45.100 -0.047 0.000 0.758 141 G HN 1.108 nan 8.290 nan 0.000 0.559 142 S N -0.550 115.104 115.700 -0.078 0.000 2.593 142 S HA 0.378 4.848 4.470 -0.000 0.000 0.217 142 S C 1.693 176.248 174.600 -0.075 0.000 0.966 142 S CA 0.823 58.986 58.200 -0.063 0.000 0.914 142 S CB -0.076 63.092 63.200 -0.053 0.000 0.776 142 S HN 1.523 nan 8.310 nan 0.000 0.523 143 G N 1.398 110.138 108.800 -0.100 0.000 2.176 143 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.252 143 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.252 143 G C -0.274 174.553 174.900 -0.121 0.000 1.024 143 G CA 0.001 45.043 45.100 -0.096 0.000 0.755 143 G HN 0.563 nan 8.290 nan 0.000 0.507 144 N N 0.361 118.957 118.700 -0.172 0.000 2.402 144 N HA 0.583 5.323 4.740 -0.000 0.000 0.294 144 N C -2.704 172.634 175.510 -0.286 0.000 1.203 144 N CA -1.427 51.513 53.050 -0.184 0.000 0.838 144 N CB 2.444 40.868 38.487 -0.105 0.000 1.306 144 N HN 0.073 nan 8.380 nan 0.000 0.510 145 P HA 0.118 nan 4.420 nan 0.000 0.272 145 P C -0.844 176.432 177.300 -0.041 0.000 1.223 145 P CA 0.183 63.126 63.100 -0.261 0.000 0.784 145 P CB 0.435 31.813 31.700 -0.537 0.000 0.923 146 Y N 0.135 120.568 120.300 0.221 0.000 2.299 146 Y HA 0.153 4.703 4.550 -0.000 0.000 0.326 146 Y C 1.872 177.941 175.900 0.283 0.000 1.164 146 Y CA 0.587 58.857 58.100 0.283 0.000 1.234 146 Y CB 0.965 39.698 38.460 0.455 0.000 1.219 146 Y HN 0.379 nan 8.280 nan 0.000 0.497 147 S N -0.595 115.351 115.700 0.409 0.000 2.603 147 S HA 0.304 4.774 4.470 -0.000 0.000 0.232 147 S C -0.416 174.430 174.600 0.411 0.000 1.016 147 S CA -0.243 58.137 58.200 0.300 0.000 0.976 147 S CB -0.100 63.151 63.200 0.085 0.000 0.921 147 S HN 0.232 nan 8.310 nan 0.000 0.516 148 V N 2.682 122.834 119.914 0.397 0.000 2.487 148 V HA 0.396 4.516 4.120 -0.000 0.000 0.298 148 V C 0.530 176.606 176.094 -0.030 0.000 1.028 148 V CA -0.891 61.528 62.300 0.199 0.000 0.860 148 V CB 1.127 33.045 31.823 0.160 0.000 0.991 148 V HN 0.368 nan 8.190 nan 0.000 0.427 149 Y N 4.815 124.746 120.300 -0.615 0.000 2.128 149 Y HA -0.138 4.412 4.550 -0.000 0.000 0.284 149 Y C 2.100 177.710 175.900 -0.483 0.000 1.154 149 Y CA 2.435 59.869 58.100 -1.109 0.000 1.149 149 Y CB -0.472 37.031 38.460 -1.595 0.000 0.976 149 Y HN 0.718 nan 8.280 nan 0.000 0.505 150 G N 0.394 109.038 108.800 -0.259 0.000 2.599 150 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 150 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 150 G C -0.491 174.281 174.900 -0.213 0.000 1.193 150 G CA 1.345 46.342 45.100 -0.173 0.000 0.778 150 G HN 0.388 nan 8.290 nan 0.000 0.589 151 P HA -0.064 nan 4.420 nan 0.000 0.217 151 P C 1.628 178.533 177.300 -0.659 0.000 1.150 151 P CA 0.712 63.673 63.100 -0.231 0.000 0.832 151 P CB -0.140 31.574 31.700 0.024 0.000 0.787 152 F N -0.508 118.857 119.950 -0.975 0.000 2.095 152 F HA -0.183 4.344 4.527 0.000 0.000 0.298 152 F C 2.240 177.629 175.800 -0.685 0.000 1.104 152 F CA 1.389 58.736 58.000 -1.089 0.000 1.232 152 F CB -0.845 37.828 39.000 -0.546 0.000 0.987 152 F HN -0.013 nan 8.300 nan 0.000 0.475 153 W N 2.003 122.852 121.300 -0.752 0.000 2.358 153 W HA -0.215 4.445 4.660 -0.000 0.000 0.303 153 W C 2.037 178.325 176.519 -0.385 0.000 1.208 153 W CA 1.773 58.715 57.345 -0.673 0.000 1.274 153 W CB -0.506 28.381 29.460 -0.955 0.000 1.138 153 W HN 0.065 nan 8.180 nan 0.000 0.515 154 K N 0.186 120.277 120.400 -0.514 0.000 2.032 154 K HA -0.263 4.057 4.320 -0.000 0.000 0.209 154 K C 2.013 178.316 176.600 -0.495 0.000 1.048 154 K CA 1.786 57.783 56.287 -0.483 0.000 0.927 154 K CB -0.538 31.817 32.500 -0.242 0.000 0.712 154 K HN 0.077 nan 8.250 nan 0.000 0.441 155 N N 0.448 118.861 118.700 -0.479 0.000 2.051 155 N HA -0.202 4.538 4.740 -0.000 0.000 0.192 155 N C 1.657 176.864 175.510 -0.505 0.000 1.049 155 N CA 1.478 54.277 53.050 -0.418 0.000 0.845 155 N CB -0.513 37.753 38.487 -0.370 0.000 1.031 155 N HN 0.275 nan 8.380 nan 0.000 0.425 156 W N 1.935 122.721 121.300 -0.857 0.000 2.304 156 W HA -0.302 4.358 4.660 0.000 0.000 0.315 156 W C 2.614 178.682 176.519 -0.751 0.000 1.233 156 W CA 3.166 59.997 57.345 -0.856 0.000 1.261 156 W CB -0.421 28.491 29.460 -0.915 0.000 1.150 156 W HN 0.405 nan 8.180 nan 0.000 0.494 157 Q N -0.085 119.379 119.800 -0.560 0.000 2.170 157 Q HA -0.074 4.266 4.340 -0.000 0.000 0.203 157 Q C 1.895 177.584 176.000 -0.518 0.000 0.976 157 Q CA 2.219 57.617 55.803 -0.675 0.000 0.858 157 Q CB -1.377 26.571 28.738 -1.317 0.000 0.907 157 Q HN 0.202 nan 8.270 nan 0.000 0.433 158 A N 0.275 122.801 122.820 -0.490 0.000 2.067 158 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 158 A C 0.842 178.211 177.584 -0.359 0.000 1.156 158 A CA 0.214 52.039 52.037 -0.353 0.000 0.683 158 A CB -0.176 18.645 19.000 -0.298 0.000 0.808 158 A HN 0.326 nan 8.150 nan 0.000 0.455 159 Q N 0.943 120.435 119.800 -0.513 0.000 2.364 159 Q HA 0.184 4.524 4.340 -0.000 0.000 0.267 159 Q C -2.391 173.387 176.000 -0.370 0.000 0.999 159 Q CA -1.690 53.795 55.803 -0.529 0.000 0.886 159 Q CB 0.104 28.233 28.738 -1.016 0.000 1.243 159 Q HN 0.327 nan 8.270 nan 0.000 0.415 160 P HA 0.035 nan 4.420 nan 0.000 0.267 160 P C -0.501 176.705 177.300 -0.156 0.000 1.205 160 P CA -0.000 63.006 63.100 -0.156 0.000 0.765 160 P CB 0.651 32.284 31.700 -0.111 0.000 0.828 161 K N 4.807 125.081 120.400 -0.210 0.000 2.297 161 K HA 0.294 4.614 4.320 -0.000 0.000 0.286 161 K C -1.676 174.795 176.600 -0.215 0.000 1.053 161 K CA -1.569 54.508 56.287 -0.350 0.000 0.940 161 K CB 0.144 32.371 32.500 -0.456 0.000 1.019 161 K HN 0.460 nan 8.250 nan 0.000 0.475 162 P HA 0.055 nan 4.420 nan 0.000 0.271 162 P C -0.309 176.952 177.300 -0.065 0.000 1.218 162 P CA -0.229 62.786 63.100 -0.140 0.000 0.780 162 P CB 0.495 32.097 31.700 -0.164 0.000 0.901 163 T N -0.689 113.856 114.554 -0.015 0.000 2.934 163 T HA 0.474 4.824 4.350 -0.000 0.000 0.283 163 T C -2.551 172.168 174.700 0.032 0.000 1.005 163 T CA -2.361 59.758 62.100 0.031 0.000 1.041 163 T CB 0.172 69.060 68.868 0.032 0.000 1.042 163 T HN 0.173 nan 8.240 nan 0.000 0.505 164 P HA 0.223 nan 4.420 nan 0.000 0.266 164 P C -0.076 177.241 177.300 0.029 0.000 1.195 164 P CA -0.505 62.625 63.100 0.049 0.000 0.768 164 P CB 0.286 32.023 31.700 0.061 0.000 0.838 165 V N 0.169 120.096 119.914 0.022 0.000 2.973 165 V HA 0.784 4.904 4.120 -0.000 0.000 0.314 165 V C 0.197 176.291 176.094 -0.000 0.000 1.066 165 V CA -1.313 60.992 62.300 0.008 0.000 1.021 165 V CB 0.835 32.661 31.823 0.004 0.000 1.076 165 V HN 0.601 nan 8.190 nan 0.000 0.462 166 A N 1.494 124.308 122.820 -0.010 0.000 2.407 166 A HA 0.527 4.847 4.320 -0.000 0.000 0.248 166 A C 0.602 178.165 177.584 -0.034 0.000 1.082 166 A CA -0.018 52.008 52.037 -0.018 0.000 0.785 166 A CB -0.363 18.626 19.000 -0.018 0.000 1.020 166 A HN 1.024 nan 8.150 nan 0.000 0.489 167 T N 4.751 119.283 114.554 -0.037 0.000 2.832 167 T HA 0.433 4.783 4.350 -0.000 0.000 0.296 167 T C -2.154 172.507 174.700 -0.066 0.000 0.968 167 T CA -0.419 61.647 62.100 -0.057 0.000 1.107 167 T CB 0.504 69.342 68.868 -0.051 0.000 0.916 167 T HN 0.605 nan 8.240 nan 0.000 0.517 168 P HA 0.231 nan 4.420 nan 0.000 0.271 168 P C -0.387 176.871 177.300 -0.070 0.000 1.216 168 P CA -0.300 62.752 63.100 -0.080 0.000 0.771 168 P CB 0.624 32.265 31.700 -0.099 0.000 0.864 169 T N -2.270 112.257 114.554 -0.045 0.000 2.864 169 T HA 0.344 4.694 4.350 -0.000 0.000 0.289 169 T C -0.332 174.359 174.700 -0.016 0.000 1.082 169 T CA -0.945 61.135 62.100 -0.033 0.000 1.009 169 T CB 0.922 69.774 68.868 -0.027 0.000 1.234 169 T HN 0.445 nan 8.240 nan 0.000 0.526 170 E N 0.649 120.845 120.200 -0.008 0.000 2.210 170 E HA -0.150 4.200 4.350 -0.000 0.000 0.201 170 E C -0.431 176.176 176.600 0.011 0.000 1.339 170 E CA 0.052 56.453 56.400 0.002 0.000 0.699 170 E CB -1.617 28.083 29.700 0.000 0.000 1.126 170 E HN 0.487 nan 8.360 nan 0.000 0.355 171 L N 0.144 121.380 121.223 0.022 0.000 2.439 171 L HA 0.411 4.751 4.340 -0.000 0.000 0.261 171 L C 0.700 177.598 176.870 0.046 0.000 1.153 171 L CA -0.787 54.079 54.840 0.043 0.000 0.808 171 L CB 0.881 42.987 42.059 0.078 0.000 1.126 171 L HN -0.070 nan 8.230 nan 0.000 0.460 172 V N 0.818 120.761 119.914 0.049 0.000 2.398 172 V HA 0.193 4.313 4.120 -0.000 0.000 0.286 172 V C -0.075 176.050 176.094 0.052 0.000 1.026 172 V CA -0.604 61.721 62.300 0.042 0.000 0.868 172 V CB 1.583 33.426 31.823 0.032 0.000 0.982 172 V HN 0.664 nan 8.190 nan 0.000 0.443 173 D N 2.881 123.310 120.400 0.049 0.000 2.398 173 D HA 0.340 4.979 4.640 -0.000 0.000 0.247 173 D C 0.042 176.365 176.300 0.038 0.000 1.227 173 D CA -0.138 53.892 54.000 0.049 0.000 0.980 173 D CB 0.888 41.715 40.800 0.044 0.000 1.106 173 D HN 0.350 nan 8.370 nan 0.000 0.493 174 L N 0.759 122.002 121.223 0.033 0.000 2.436 174 L HA 0.180 4.520 4.340 -0.000 0.000 0.265 174 L C 0.917 177.800 176.870 0.022 0.000 1.168 174 L CA -0.514 54.342 54.840 0.026 0.000 0.815 174 L CB 0.896 42.968 42.059 0.021 0.000 1.109 174 L HN 0.436 nan 8.230 nan 0.000 0.462 175 S N 1.016 116.727 115.700 0.018 0.000 2.617 175 S HA 0.260 4.730 4.470 -0.000 0.000 0.269 175 S C -1.980 172.628 174.600 0.013 0.000 1.292 175 S CA -1.185 57.024 58.200 0.016 0.000 1.010 175 S CB 1.197 64.405 63.200 0.014 0.000 0.944 175 S HN 0.389 nan 8.310 nan 0.000 0.536 176 P HA -0.138 nan 4.420 nan 0.000 0.218 176 P C 1.339 178.644 177.300 0.009 0.000 1.148 176 P CA 1.154 64.261 63.100 0.010 0.000 0.822 176 P CB 0.020 31.726 31.700 0.010 0.000 0.784 177 E N 0.065 120.270 120.200 0.009 0.000 2.072 177 E HA -0.184 4.166 4.350 -0.000 0.000 0.190 177 E C 1.950 178.554 176.600 0.007 0.000 0.982 177 E CA 1.174 57.578 56.400 0.007 0.000 0.803 177 E CB -1.094 28.610 29.700 0.007 0.000 0.755 177 E HN 0.413 nan 8.360 nan 0.000 0.453 178 Q N 0.661 120.466 119.800 0.009 0.000 2.084 178 Q HA -0.017 4.323 4.340 -0.000 0.000 0.202 178 Q C 2.564 178.567 176.000 0.006 0.000 0.978 178 Q CA 1.008 56.816 55.803 0.008 0.000 0.844 178 Q CB -0.196 28.549 28.738 0.012 0.000 0.898 178 Q HN 0.245 nan 8.270 nan 0.000 0.426 179 L N 0.005 121.232 121.223 0.008 0.000 2.083 179 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 179 L C 2.361 179.233 176.870 0.004 0.000 1.083 179 L CA 1.222 56.065 54.840 0.006 0.000 0.752 179 L CB -0.625 41.439 42.059 0.008 0.000 0.899 179 L HN 0.264 nan 8.230 nan 0.000 0.433 180 T N -0.164 114.393 114.554 0.005 0.000 2.821 180 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 180 T C 2.002 176.703 174.700 0.001 0.000 1.046 180 T CA 1.219 63.321 62.100 0.003 0.000 1.139 180 T CB -0.202 68.668 68.868 0.004 0.000 0.871 180 T HN 0.443 nan 8.240 nan 0.000 0.454 181 A N 1.630 124.451 122.820 0.002 0.000 1.972 181 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 181 A C 2.178 179.760 177.584 -0.003 0.000 1.169 181 A CA 1.328 53.365 52.037 -0.000 0.000 0.635 181 A CB -0.696 18.305 19.000 0.001 0.000 0.810 181 A HN 0.751 nan 8.150 nan 0.000 0.446 182 I N -4.803 115.765 120.570 -0.003 0.000 4.018 182 I HA 0.435 4.605 4.170 -0.000 0.000 0.337 182 I C 1.962 178.076 176.117 -0.006 0.000 1.327 182 I CA 0.608 61.904 61.300 -0.007 0.000 1.100 182 I CB -0.153 37.842 38.000 -0.009 0.000 1.025 182 I HN 0.097 nan 8.210 nan 0.000 0.396 183 A N 2.985 125.804 122.820 -0.003 0.000 1.915 183 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 183 A C 0.269 177.852 177.584 -0.002 0.000 1.198 183 A CA 2.343 54.380 52.037 -0.001 0.000 0.647 183 A CB -2.158 16.843 19.000 0.001 0.000 0.825 183 A HN 0.431 nan 8.150 nan 0.000 0.456 184 P HA -0.108 nan 4.420 nan 0.000 0.219 184 P C 1.063 178.359 177.300 -0.007 0.000 1.146 184 P CA 0.895 63.992 63.100 -0.005 0.000 0.808 184 P CB -0.115 31.582 31.700 -0.006 0.000 0.779 185 L N -2.652 118.565 121.223 -0.011 0.000 2.509 185 L HA 0.110 4.450 4.340 -0.000 0.000 0.222 185 L C 1.022 177.885 176.870 -0.012 0.000 1.123 185 L CA 0.006 54.837 54.840 -0.016 0.000 0.856 185 L CB -0.361 41.682 42.059 -0.026 0.000 0.985 185 L HN -0.047 nan 8.230 nan 0.000 0.456 186 L N 0.276 121.496 121.223 -0.005 0.000 2.375 186 L HA 0.344 4.684 4.340 -0.000 0.000 0.268 186 L C -0.372 176.505 176.870 0.011 0.000 1.058 186 L CA -0.932 53.910 54.840 0.002 0.000 0.803 186 L CB 1.484 43.544 42.059 0.003 0.000 1.212 186 L HN -0.121 nan 8.230 nan 0.000 0.451 187 L N 0.688 121.924 121.223 0.020 0.000 2.326 187 L HA 0.170 4.510 4.340 -0.000 0.000 0.278 187 L C 1.269 178.152 176.870 0.022 0.000 1.092 187 L CA 0.525 55.381 54.840 0.026 0.000 0.810 187 L CB 1.635 43.719 42.059 0.042 0.000 1.153 187 L HN 0.794 nan 8.230 nan 0.000 0.439 188 S N 2.110 117.821 115.700 0.019 0.000 2.406 188 S HA 0.089 4.559 4.470 -0.000 0.000 0.228 188 S C 0.354 174.964 174.600 0.017 0.000 1.020 188 S CA 0.450 58.659 58.200 0.016 0.000 0.965 188 S CB -0.116 63.092 63.200 0.014 0.000 0.798 188 S HN 0.715 nan 8.310 nan 0.000 0.488 189 E N -0.514 119.698 120.200 0.020 0.000 2.430 189 E HA 0.456 4.806 4.350 -0.000 0.000 0.279 189 E C -1.857 174.756 176.600 0.021 0.000 1.003 189 E CA -1.027 55.383 56.400 0.017 0.000 0.801 189 E CB 1.402 31.110 29.700 0.014 0.000 1.313 189 E HN 0.149 nan 8.360 nan 0.000 0.459 190 L N 3.806 125.037 121.223 0.013 0.000 2.462 190 L HA 0.221 4.561 4.340 -0.000 0.000 0.272 190 L C -2.194 174.686 176.870 0.017 0.000 1.166 190 L CA -0.837 54.008 54.840 0.009 0.000 0.880 190 L CB 0.072 42.120 42.059 -0.019 0.000 1.142 190 L HN 0.308 nan 8.230 nan 0.000 0.473 191 P HA 0.171 nan 4.420 nan 0.000 0.272 191 P C -0.694 176.630 177.300 0.039 0.000 1.230 191 P CA -0.441 62.684 63.100 0.041 0.000 0.788 191 P CB 0.327 32.063 31.700 0.059 0.000 0.949 192 T N -1.003 113.578 114.554 0.046 0.000 2.788 192 T HA 0.087 4.437 4.350 -0.000 0.000 0.287 192 T C 1.283 176.033 174.700 0.084 0.000 1.007 192 T CA -0.676 61.456 62.100 0.053 0.000 1.005 192 T CB 0.263 69.162 68.868 0.052 0.000 1.012 192 T HN 0.193 nan 8.240 nan 0.000 0.530 193 L N 0.422 121.707 121.223 0.102 0.000 2.042 193 L HA 0.050 4.390 4.340 -0.000 0.000 0.210 193 L C 2.538 179.522 176.870 0.190 0.000 1.076 193 L CA 1.946 56.883 54.840 0.161 0.000 0.749 193 L CB -1.093 41.074 42.059 0.180 0.000 0.893 193 L HN 0.807 nan 8.230 nan 0.000 0.432 194 K N -0.386 120.093 120.400 0.132 0.000 2.057 194 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 194 K C 2.095 178.739 176.600 0.073 0.000 1.049 194 K CA 1.691 58.037 56.287 0.098 0.000 0.931 194 K CB -0.222 32.319 32.500 0.069 0.000 0.714 194 K HN 0.547 nan 8.250 nan 0.000 0.440 195 Q N -0.356 119.489 119.800 0.074 0.000 2.291 195 Q HA -0.051 4.289 4.340 -0.000 0.000 0.205 195 Q C 1.663 177.709 176.000 0.077 0.000 0.970 195 Q CA 0.926 56.765 55.803 0.059 0.000 0.876 195 Q CB 0.032 28.802 28.738 0.054 0.000 0.935 195 Q HN 0.309 nan 8.270 nan 0.000 0.455 196 L N -0.953 120.351 121.223 0.135 0.000 2.492 196 L HA 0.115 4.455 4.340 -0.000 0.000 0.223 196 L C 0.996 177.954 176.870 0.146 0.000 1.132 196 L CA 0.448 55.413 54.840 0.209 0.000 0.850 196 L CB 0.117 42.367 42.059 0.318 0.000 0.966 196 L HN 0.382 nan 8.230 nan 0.000 0.454 197 G N -0.328 108.471 108.800 -0.000 0.000 2.140 197 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.211 197 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.211 197 G C -0.243 174.272 174.900 -0.642 0.000 1.013 197 G CA -0.481 44.437 45.100 -0.304 0.000 0.705 197 G HN 0.167 nan 8.290 nan 0.000 0.508 198 F N -0.605 119.380 119.950 0.058 0.000 2.650 198 F HA 0.777 5.304 4.527 0.000 0.000 0.320 198 F C -0.241 175.620 175.800 0.102 0.000 1.091 198 F CA -1.043 57.003 58.000 0.076 0.000 0.962 198 F CB 2.231 41.276 39.000 0.074 0.000 1.363 198 F HN -0.002 nan 8.300 nan 0.000 0.482 199 D N 0.235 120.845 120.400 0.351 0.000 2.859 199 D HA 0.303 4.943 4.640 -0.000 0.000 0.223 199 D C -2.072 174.466 176.300 0.397 0.000 1.218 199 D CA -0.239 53.928 54.000 0.278 0.000 0.850 199 D CB 2.104 43.007 40.800 0.172 0.000 1.656 199 D HN 0.597 nan 8.370 nan 0.000 0.484 200 W N 4.420 125.769 121.300 0.080 0.000 3.573 200 W HA 0.264 4.923 4.660 -0.000 0.000 0.306 200 W C -1.599 174.914 176.519 -0.010 0.000 1.227 200 W CA -0.625 56.741 57.345 0.035 0.000 1.212 200 W CB 1.764 31.248 29.460 0.039 0.000 1.331 200 W HN 0.483 nan 8.180 nan 0.000 0.524 201 D N 2.024 121.893 120.400 -0.884 0.000 2.672 201 D HA 0.103 4.743 4.640 -0.000 0.000 0.287 201 D C 0.860 176.569 176.300 -0.985 0.000 1.559 201 D CA -0.058 53.520 54.000 -0.703 0.000 0.796 201 D CB -0.052 40.545 40.800 -0.338 0.000 1.181 201 D HN 0.480 nan 8.370 nan 0.000 0.458 202 G N 0.212 107.825 108.800 -1.978 0.000 2.985 202 G HA2 0.445 4.404 3.960 -0.000 0.000 0.209 202 G HA3 0.445 4.404 3.960 -0.000 0.000 0.209 202 G C 1.016 175.574 174.900 -0.569 0.000 1.165 202 G CA 0.368 44.685 45.100 -1.305 0.000 0.776 202 G HN 0.724 nan 8.290 nan 0.000 0.541 203 G N -0.817 107.613 108.800 -0.617 0.000 2.725 203 G HA2 0.032 3.992 3.960 -0.000 0.000 0.220 203 G HA3 0.032 3.992 3.960 -0.000 0.000 0.220 203 G C -0.598 174.020 174.900 -0.469 0.000 1.357 203 G CA -0.490 44.370 45.100 -0.400 0.000 0.866 203 G HN 0.524 nan 8.290 nan 0.000 0.548 204 F N -0.753 119.343 119.950 0.243 0.000 2.643 204 F HA 0.644 5.171 4.527 -0.000 0.000 0.314 204 F C -1.127 174.694 175.800 0.034 0.000 1.096 204 F CA -1.014 57.102 58.000 0.194 0.000 0.953 204 F CB 1.767 40.906 39.000 0.232 0.000 1.345 204 F HN 0.354 nan 8.300 nan 0.000 0.468 205 P HA 0.040 nan 4.420 nan 0.000 0.225 205 P C -0.275 176.966 177.300 -0.098 0.000 1.156 205 P CA 0.830 63.785 63.100 -0.243 0.000 0.787 205 P CB 1.231 32.492 31.700 -0.731 0.000 0.802 206 V N -0.202 119.750 119.914 0.064 0.000 2.969 206 V HA 0.248 4.368 4.120 -0.000 0.000 0.304 206 V C -1.061 175.141 176.094 0.180 0.000 1.192 206 V CA -0.896 61.457 62.300 0.088 0.000 0.962 206 V CB 2.588 34.443 31.823 0.052 0.000 1.045 206 V HN -0.225 nan 8.190 nan 0.000 0.428 207 E N 5.276 125.548 120.200 0.120 0.000 2.415 207 E HA 0.266 4.616 4.350 -0.000 0.000 0.262 207 E C -2.419 174.113 176.600 -0.113 0.000 1.038 207 E CA -1.518 54.906 56.400 0.041 0.000 0.921 207 E CB 0.544 30.265 29.700 0.034 0.000 0.950 207 E HN 0.530 nan 8.360 nan 0.000 0.438 208 P HA 0.170 nan 4.420 nan 0.000 0.268 208 P C -0.192 176.834 177.300 -0.457 0.000 1.208 208 P CA 0.542 63.148 63.100 -0.823 0.000 0.777 208 P CB 0.505 31.590 31.700 -1.026 0.000 0.875 209 G N 0.908 109.434 108.800 -0.457 0.000 2.650 209 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.686 209 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.686 209 G C 0.567 175.409 174.900 -0.098 0.000 1.205 209 G CA -0.120 44.838 45.100 -0.237 0.000 0.781 209 G HN 0.517 nan 8.290 nan 0.000 0.648 210 E N -0.368 119.793 120.200 -0.066 0.000 2.085 210 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 210 E C 2.456 179.052 176.600 -0.006 0.000 0.994 210 E CA 2.199 58.591 56.400 -0.013 0.000 0.801 210 E CB -0.145 29.543 29.700 -0.020 0.000 0.743 210 E HN 0.610 nan 8.360 nan 0.000 0.453 211 T N 0.568 115.107 114.554 -0.026 0.000 2.674 211 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 211 T C 1.884 176.583 174.700 -0.003 0.000 1.039 211 T CA 1.504 63.595 62.100 -0.015 0.000 1.150 211 T CB -0.358 68.495 68.868 -0.025 0.000 0.864 211 T HN 0.350 nan 8.240 nan 0.000 0.427 212 A N 1.230 124.044 122.820 -0.011 0.000 1.969 212 A HA 0.219 4.539 4.320 -0.000 0.000 0.218 212 A C 2.596 180.198 177.584 0.031 0.000 1.169 212 A CA 1.713 53.754 52.037 0.006 0.000 0.635 212 A CB -0.955 18.041 19.000 -0.006 0.000 0.810 212 A HN 0.507 nan 8.150 nan 0.000 0.445 213 A N 0.066 122.912 122.820 0.043 0.000 1.873 213 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 213 A C 2.100 179.725 177.584 0.068 0.000 1.186 213 A CA 1.437 53.518 52.037 0.074 0.000 0.616 213 A CB -0.554 18.507 19.000 0.103 0.000 0.823 213 A HN 0.477 nan 8.150 nan 0.000 0.442 214 I N -0.225 120.378 120.570 0.055 0.000 2.226 214 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 214 I C 2.985 179.129 176.117 0.045 0.000 1.100 214 I CA 0.997 62.329 61.300 0.053 0.000 1.374 214 I CB -0.357 37.666 38.000 0.038 0.000 1.057 214 I HN 0.370 nan 8.210 nan 0.000 0.413 215 A N 0.900 123.741 122.820 0.034 0.000 1.883 215 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 215 A C 2.335 179.941 177.584 0.038 0.000 1.186 215 A CA 2.118 54.172 52.037 0.029 0.000 0.624 215 A CB -0.562 18.451 19.000 0.022 0.000 0.822 215 A HN 0.302 nan 8.150 nan 0.000 0.444 216 R N -0.319 120.207 120.500 0.042 0.000 2.081 216 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 216 R C 1.905 178.244 176.300 0.065 0.000 1.131 216 R CA 1.790 57.918 56.100 0.046 0.000 0.960 216 R CB -1.041 29.276 30.300 0.029 0.000 0.856 216 R HN 0.434 nan 8.270 nan 0.000 0.436 217 L N 0.923 122.187 121.223 0.069 0.000 1.989 217 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 217 L C 2.017 178.928 176.870 0.070 0.000 1.071 217 L CA 1.991 56.882 54.840 0.086 0.000 0.749 217 L CB -0.632 41.492 42.059 0.107 0.000 0.890 217 L HN 0.349 nan 8.230 nan 0.000 0.431 218 Q N -0.692 119.137 119.800 0.048 0.000 2.119 218 Q HA -0.213 4.127 4.340 -0.000 0.000 0.201 218 Q C 2.053 178.057 176.000 0.007 0.000 0.972 218 Q CA 1.835 57.650 55.803 0.020 0.000 0.847 218 Q CB -0.229 28.520 28.738 0.017 0.000 0.903 218 Q HN 0.686 nan 8.270 nan 0.000 0.433 219 E N 0.284 120.502 120.200 0.031 0.000 2.072 219 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 219 E C 1.721 178.337 176.600 0.026 0.000 0.985 219 E CA 0.807 57.222 56.400 0.025 0.000 0.801 219 E CB -0.164 29.562 29.700 0.043 0.000 0.750 219 E HN 0.219 nan 8.360 nan 0.000 0.452 220 F N 1.244 121.125 119.950 -0.115 0.000 2.102 220 F HA -0.196 4.331 4.527 0.000 0.000 0.298 220 F C 2.070 177.727 175.800 -0.239 0.000 1.105 220 F CA 1.079 58.970 58.000 -0.182 0.000 1.239 220 F CB -0.335 38.511 39.000 -0.255 0.000 0.991 220 F HN -0.004 nan 8.300 nan 0.000 0.474 221 C N 0.352 119.505 119.300 -0.245 0.000 2.472 221 C HA -0.101 4.359 4.460 -0.000 0.000 0.278 221 C C 2.389 177.226 174.990 -0.255 0.000 1.447 221 C CA 1.042 59.855 59.018 -0.341 0.000 1.773 221 C CB -1.424 26.206 27.740 -0.184 0.000 1.793 221 C HN 0.554 nan 8.230 nan 0.000 0.544 222 D N -0.648 119.641 120.400 -0.185 0.000 2.354 222 D HA 0.023 4.663 4.640 -0.000 0.000 0.209 222 D C 1.906 178.119 176.300 -0.145 0.000 1.015 222 D CA 0.676 54.597 54.000 -0.132 0.000 0.867 222 D CB 0.214 40.969 40.800 -0.076 0.000 0.933 222 D HN 0.410 nan 8.370 nan 0.000 0.520 223 R N -0.433 119.944 120.500 -0.204 0.000 5.328 223 R HA 0.251 4.591 4.340 -0.000 0.000 0.106 223 R C 1.920 178.071 176.300 -0.248 0.000 1.206 223 R CA 0.635 56.630 56.100 -0.174 0.000 0.839 223 R CB -1.176 29.065 30.300 -0.099 0.000 1.258 223 R HN -0.057 nan 8.270 nan 0.000 0.391 224 A N 2.159 124.826 122.820 -0.256 0.000 1.997 224 A HA -0.171 4.149 4.320 -0.000 0.000 0.221 224 A C 2.067 179.356 177.584 -0.491 0.000 1.172 224 A CA 1.900 53.787 52.037 -0.250 0.000 0.645 224 A CB -0.894 18.086 19.000 -0.033 0.000 0.813 224 A HN 0.419 nan 8.150 nan 0.000 0.454 225 I N -0.660 119.264 120.570 -1.078 0.000 2.423 225 I HA -0.264 3.906 4.170 -0.000 0.000 0.254 225 I C 2.529 178.435 176.117 -0.351 0.000 1.151 225 I CA 1.184 61.851 61.300 -1.055 0.000 1.421 225 I CB -0.142 37.124 38.000 -1.224 0.000 1.079 225 I HN 0.362 nan 8.210 nan 0.000 0.431 226 A N -0.258 122.402 122.820 -0.266 0.000 2.070 226 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 226 A C 1.663 179.230 177.584 -0.029 0.000 1.159 226 A CA 1.837 53.802 52.037 -0.119 0.000 0.656 226 A CB -0.356 18.576 19.000 -0.113 0.000 0.800 226 A HN 0.512 nan 8.150 nan 0.000 0.453 227 D N -2.560 117.835 120.400 -0.008 0.000 2.398 227 D HA 0.063 4.703 4.640 -0.000 0.000 0.210 227 D C 1.007 177.391 176.300 0.141 0.000 1.094 227 D CA -0.157 53.880 54.000 0.062 0.000 0.839 227 D CB -0.133 40.701 40.800 0.056 0.000 0.963 227 D HN 0.466 nan 8.370 nan 0.000 0.506 228 Y N 2.194 122.514 120.300 0.033 0.000 2.096 228 Y HA -0.251 4.299 4.550 -0.000 0.000 0.278 228 Y C 0.522 176.496 175.900 0.125 0.000 1.192 228 Y CA 1.536 59.716 58.100 0.132 0.000 1.143 228 Y CB 0.016 38.591 38.460 0.191 0.000 0.963 228 Y HN -0.163 nan 8.280 nan 0.000 0.505 229 D N -0.094 120.366 120.400 0.101 0.000 2.349 229 D HA 0.226 4.866 4.640 -0.000 0.000 0.232 229 D C -2.173 174.156 176.300 0.049 0.000 1.071 229 D CA -2.465 51.537 54.000 0.002 0.000 0.832 229 D CB 1.398 42.235 40.800 0.062 0.000 1.086 229 D HN 0.081 nan 8.370 nan 0.000 0.504 230 P HA 0.054 nan 4.420 nan 0.000 0.266 230 P C 0.634 177.935 177.300 0.002 0.000 1.381 230 P CA -0.085 63.014 63.100 -0.001 0.000 0.940 230 P CB 0.770 32.520 31.700 0.083 0.000 1.435 231 Q N 1.056 120.923 119.800 0.112 0.000 2.297 231 Q HA -0.155 4.185 4.340 -0.000 0.000 0.208 231 Q C 2.190 178.236 176.000 0.076 0.000 0.981 231 Q CA 1.225 57.166 55.803 0.229 0.000 0.876 231 Q CB -0.652 28.217 28.738 0.218 0.000 0.921 231 Q HN 0.552 nan 8.270 nan 0.000 0.446 232 R N 0.091 120.471 120.500 -0.201 0.000 2.193 232 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 232 R C 1.059 177.242 176.300 -0.194 0.000 1.110 232 R CA 1.258 57.173 56.100 -0.308 0.000 0.988 232 R CB -0.238 29.460 30.300 -1.004 0.000 0.871 232 R HN 0.171 nan 8.270 nan 0.000 0.458 233 N N 0.321 118.754 118.700 -0.445 0.000 2.463 233 N HA -0.012 4.728 4.740 -0.000 0.000 0.181 233 N C -0.617 174.468 175.510 -0.708 0.000 1.078 233 N CA 0.586 53.229 53.050 -0.678 0.000 0.902 233 N CB 0.151 38.133 38.487 -0.841 0.000 0.970 233 N HN 0.143 nan 8.380 nan 0.000 0.451 234 F N 1.927 121.843 119.950 -0.057 0.000 2.334 234 F HA 0.333 4.860 4.527 -0.000 0.000 0.367 234 F C -1.291 174.244 175.800 -0.442 0.000 1.115 234 F CA -2.621 55.294 58.000 -0.141 0.000 1.116 234 F CB 1.292 40.291 39.000 -0.002 0.000 1.230 234 F HN -0.151 nan 8.300 nan 0.000 0.484 235 P HA -0.223 nan 4.420 nan 0.000 0.219 235 P C 1.241 178.469 177.300 -0.118 0.000 1.146 235 P CA 1.468 64.034 63.100 -0.889 0.000 0.808 235 P CB 0.251 31.210 31.700 -1.235 0.000 0.779 236 A N -0.439 122.435 122.820 0.090 0.000 2.066 236 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 236 A C 1.276 178.981 177.584 0.202 0.000 1.157 236 A CA 0.880 53.076 52.037 0.264 0.000 0.670 236 A CB -0.450 18.670 19.000 0.200 0.000 0.804 236 A HN 0.120 nan 8.150 nan 0.000 0.453 237 E N -0.579 119.728 120.200 0.178 0.000 2.277 237 E HA 0.492 4.842 4.350 -0.000 0.000 0.274 237 E C -0.444 176.299 176.600 0.238 0.000 1.022 237 E CA -0.061 56.453 56.400 0.189 0.000 0.853 237 E CB 1.324 31.151 29.700 0.210 0.000 1.086 237 E HN 0.170 nan 8.360 nan 0.000 0.397 238 A N 1.988 124.936 122.820 0.213 0.000 3.126 238 A HA 0.360 4.680 4.320 -0.000 0.000 0.268 238 A C 1.112 178.848 177.584 0.254 0.000 1.605 238 A CA 0.079 52.250 52.037 0.224 0.000 1.305 238 A CB -0.772 18.322 19.000 0.156 0.000 1.160 238 A HN 0.599 nan 8.150 nan 0.000 0.609 239 G N 0.007 108.997 108.800 0.316 0.000 2.939 239 G HA2 0.236 4.196 3.960 -0.000 0.000 0.210 239 G HA3 0.236 4.196 3.960 -0.000 0.000 0.210 239 G C 0.844 176.042 174.900 0.497 0.000 1.160 239 G CA 0.935 46.247 45.100 0.354 0.000 0.770 239 G HN 0.702 nan 8.290 nan 0.000 0.543 240 T N -2.647 112.166 114.554 0.432 0.000 2.923 240 T HA 0.460 4.810 4.350 -0.000 0.000 0.281 240 T C 1.779 176.475 174.700 -0.005 0.000 0.995 240 T CA 0.469 62.812 62.100 0.406 0.000 0.985 240 T CB 1.601 70.695 68.868 0.376 0.000 1.114 240 T HN 0.104 nan 8.240 nan 0.000 0.548 241 S N -0.435 114.989 115.700 -0.460 0.000 2.406 241 S HA 0.226 4.696 4.470 -0.000 0.000 0.228 241 S C 2.056 176.462 174.600 -0.323 0.000 1.020 241 S CA 0.796 58.470 58.200 -0.877 0.000 0.965 241 S CB -1.333 61.283 63.200 -0.973 0.000 0.798 241 S HN 2.245 nan 8.310 nan 0.000 0.488 242 G N 0.978 109.676 108.800 -0.170 0.000 2.155 242 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.257 242 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.257 242 G C 0.448 175.262 174.900 -0.143 0.000 0.983 242 G CA 0.523 45.468 45.100 -0.258 0.000 0.676 242 G HN 0.563 nan 8.290 nan 0.000 0.528 243 L N 1.439 122.634 121.223 -0.047 0.000 2.591 243 L HA 0.081 4.421 4.340 -0.000 0.000 0.228 243 L C 2.833 179.728 176.870 0.042 0.000 1.133 243 L CA 0.999 55.850 54.840 0.019 0.000 0.880 243 L CB -0.192 41.918 42.059 0.085 0.000 1.033 243 L HN 0.481 nan 8.230 nan 0.000 0.450 244 S N 0.855 116.595 115.700 0.067 0.000 2.372 244 S HA -0.128 4.342 4.470 -0.000 0.000 0.227 244 S C -0.276 174.323 174.600 -0.001 0.000 1.044 244 S CA 1.280 59.525 58.200 0.073 0.000 1.050 244 S CB -1.838 61.466 63.200 0.173 0.000 0.901 244 S HN 0.329 nan 8.310 nan 0.000 0.447 245 P HA 0.142 nan 4.420 nan 0.000 0.222 245 P C 1.550 178.773 177.300 -0.129 0.000 1.153 245 P CA 1.491 64.415 63.100 -0.293 0.000 0.798 245 P CB -0.198 30.989 31.700 -0.856 0.000 0.796 246 A N 0.226 123.043 122.820 -0.005 0.000 1.930 246 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 246 A C 2.371 180.073 177.584 0.197 0.000 1.175 246 A CA 1.106 53.278 52.037 0.226 0.000 0.627 246 A CB -1.487 17.631 19.000 0.196 0.000 0.815 246 A HN 0.132 nan 8.150 nan 0.000 0.443 247 L N -0.800 120.498 121.223 0.124 0.000 2.179 247 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 247 L C 2.624 179.547 176.870 0.088 0.000 1.096 247 L CA 1.177 56.086 54.840 0.116 0.000 0.779 247 L CB -0.326 41.786 42.059 0.088 0.000 0.922 247 L HN 0.313 nan 8.230 nan 0.000 0.443 248 K N 0.766 121.183 120.400 0.029 0.000 2.026 248 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 248 K C 1.726 178.236 176.600 -0.150 0.000 1.048 248 K CA 1.825 58.048 56.287 -0.106 0.000 0.929 248 K CB -0.151 32.203 32.500 -0.243 0.000 0.713 248 K HN 0.190 nan 8.250 nan 0.000 0.439 249 F N 0.173 120.197 119.950 0.124 0.000 2.765 249 F HA 0.228 4.755 4.527 -0.000 0.000 0.302 249 F C 1.231 177.138 175.800 0.179 0.000 1.111 249 F CA 0.584 58.689 58.000 0.175 0.000 1.359 249 F CB 0.183 39.334 39.000 0.251 0.000 1.097 249 F HN 0.308 nan 8.300 nan 0.000 0.577 250 G N 0.721 109.697 108.800 0.294 0.000 2.246 250 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.273 250 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.273 250 G C 1.210 176.250 174.900 0.234 0.000 1.055 250 G CA 0.337 45.585 45.100 0.246 0.000 0.851 250 G HN 0.562 nan 8.290 nan 0.000 0.500 251 A N -1.299 121.668 122.820 0.245 0.000 2.119 251 A HA 0.528 4.848 4.320 -0.000 0.000 0.217 251 A C 1.083 178.749 177.584 0.137 0.000 1.153 251 A CA 1.589 53.728 52.037 0.170 0.000 0.692 251 A CB 0.226 19.339 19.000 0.187 0.000 0.799 251 A HN 1.365 nan 8.150 nan 0.000 0.458 252 I N -1.473 119.192 120.570 0.158 0.000 2.582 252 I HA 0.607 4.777 4.170 -0.000 0.000 0.292 252 I C 0.358 176.566 176.117 0.151 0.000 1.066 252 I CA -0.623 60.761 61.300 0.140 0.000 1.053 252 I CB 1.678 39.766 38.000 0.148 0.000 1.241 252 I HN 0.035 nan 8.210 nan 0.000 0.421 253 G N 5.571 114.453 108.800 0.136 0.000 2.432 253 G HA2 0.281 4.241 3.960 -0.000 0.000 0.257 253 G HA3 0.281 4.241 3.960 -0.000 0.000 0.257 253 G C 0.568 175.565 174.900 0.162 0.000 1.238 253 G CA -0.236 44.947 45.100 0.139 0.000 0.838 253 G HN 0.735 nan 8.290 nan 0.000 0.547 254 I N 1.338 122.007 120.570 0.164 0.000 2.493 254 I HA -0.044 4.126 4.170 -0.000 0.000 0.254 254 I C 2.624 178.872 176.117 0.217 0.000 1.160 254 I CA 1.035 62.451 61.300 0.192 0.000 1.445 254 I CB -0.032 38.072 38.000 0.173 0.000 1.086 254 I HN 0.578 nan 8.210 nan 0.000 0.433 255 R N -0.529 120.068 120.500 0.161 0.000 2.090 255 R HA -0.126 4.214 4.340 -0.000 0.000 0.228 255 R C 2.255 178.685 176.300 0.216 0.000 1.110 255 R CA 1.280 57.478 56.100 0.164 0.000 0.973 255 R CB -0.368 29.982 30.300 0.083 0.000 0.869 255 R HN 0.478 nan 8.270 nan 0.000 0.440 256 Q N 0.281 120.187 119.800 0.177 0.000 2.119 256 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 256 Q C 1.991 178.116 176.000 0.208 0.000 0.972 256 Q CA 1.448 57.349 55.803 0.163 0.000 0.847 256 Q CB -0.004 28.809 28.738 0.125 0.000 0.903 256 Q HN 0.369 nan 8.270 nan 0.000 0.433 257 A N 0.881 123.856 122.820 0.259 0.000 1.902 257 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 257 A C 1.828 179.651 177.584 0.399 0.000 1.181 257 A CA 1.244 53.484 52.037 0.338 0.000 0.623 257 A CB -1.350 17.868 19.000 0.364 0.000 0.818 257 A HN 0.809 nan 8.150 nan 0.000 0.443 258 W N 0.668 122.103 121.300 0.224 0.000 2.358 258 W HA -0.194 4.465 4.660 -0.000 0.000 0.303 258 W C 2.174 178.798 176.519 0.175 0.000 1.208 258 W CA 2.003 59.478 57.345 0.217 0.000 1.274 258 W CB -0.402 29.142 29.460 0.140 0.000 1.138 258 W HN 0.598 nan 8.180 nan 0.000 0.515 259 Q N 0.586 120.539 119.800 0.255 0.000 2.096 259 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 259 Q C 2.336 178.356 176.000 0.033 0.000 0.982 259 Q CA 2.311 58.193 55.803 0.131 0.000 0.850 259 Q CB -0.419 28.410 28.738 0.152 0.000 0.901 259 Q HN 0.193 nan 8.270 nan 0.000 0.422 260 A N 0.593 123.452 122.820 0.064 0.000 1.898 260 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 260 A C 2.246 179.811 177.584 -0.031 0.000 1.181 260 A CA 1.570 53.624 52.037 0.027 0.000 0.620 260 A CB -0.828 18.206 19.000 0.058 0.000 0.819 260 A HN 0.552 nan 8.150 nan 0.000 0.442 261 A N -0.581 122.222 122.820 -0.029 0.000 1.898 261 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 261 A C 2.422 179.912 177.584 -0.156 0.000 1.181 261 A CA 1.933 53.923 52.037 -0.078 0.000 0.620 261 A CB -0.819 18.216 19.000 0.058 0.000 0.819 261 A HN 0.438 nan 8.150 nan 0.000 0.442 262 S N 0.051 115.578 115.700 -0.288 0.000 2.382 262 S HA -0.056 4.414 4.470 -0.000 0.000 0.228 262 S C 2.274 176.845 174.600 -0.049 0.000 1.027 262 S CA 1.161 59.225 58.200 -0.226 0.000 0.991 262 S CB -0.442 62.616 63.200 -0.236 0.000 0.823 262 S HN 0.788 nan 8.310 nan 0.000 0.469 263 A N 1.596 124.393 122.820 -0.039 0.000 1.902 263 A HA 0.107 4.426 4.320 -0.000 0.000 0.217 263 A C 2.361 179.938 177.584 -0.011 0.000 1.181 263 A CA 1.684 53.716 52.037 -0.009 0.000 0.623 263 A CB -1.062 17.933 19.000 -0.009 0.000 0.818 263 A HN 0.517 nan 8.150 nan 0.000 0.443 264 A N -1.425 121.374 122.820 -0.036 0.000 1.933 264 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 264 A C 2.146 179.716 177.584 -0.023 0.000 1.175 264 A CA 1.715 53.718 52.037 -0.057 0.000 0.628 264 A CB -0.913 18.017 19.000 -0.118 0.000 0.814 264 A HN 0.722 nan 8.150 nan 0.000 0.444 265 H N 0.160 119.185 119.070 -0.076 0.000 2.353 265 H HA -0.051 4.505 4.556 -0.000 0.000 0.300 265 H C 2.257 177.568 175.328 -0.028 0.000 1.090 265 H CA 1.718 57.738 56.048 -0.046 0.000 1.327 265 H CB -0.206 29.530 29.762 -0.043 0.000 1.383 265 H HN 0.405 nan 8.280 nan 0.000 0.508 266 A N 0.809 123.715 122.820 0.143 0.000 1.969 266 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 266 A C 2.494 180.088 177.584 0.016 0.000 1.169 266 A CA 0.992 53.085 52.037 0.093 0.000 0.635 266 A CB -0.491 18.551 19.000 0.070 0.000 0.810 266 A HN 0.426 nan 8.150 nan 0.000 0.445 267 L N 0.004 121.220 121.223 -0.013 0.000 2.628 267 L HA 0.133 4.473 4.340 -0.000 0.000 0.229 267 L C 0.373 177.208 176.870 -0.058 0.000 1.137 267 L CA -0.423 54.399 54.840 -0.031 0.000 0.909 267 L CB 0.074 42.115 42.059 -0.030 0.000 1.137 267 L HN 0.108 nan 8.230 nan 0.000 0.470 268 S N 0.250 115.894 115.700 -0.093 0.000 2.579 268 S HA 0.208 4.678 4.470 -0.000 0.000 0.275 268 S C 1.058 175.600 174.600 -0.096 0.000 1.345 268 S CA -0.125 58.003 58.200 -0.121 0.000 1.031 268 S CB 0.866 63.940 63.200 -0.210 0.000 0.892 268 S HN 0.309 nan 8.310 nan 0.000 0.529 269 R N 0.558 121.011 120.500 -0.079 0.000 2.596 269 R HA 0.199 4.539 4.340 -0.000 0.000 0.369 269 R C -0.387 175.882 176.300 -0.051 0.000 1.042 269 R CA -0.028 56.038 56.100 -0.057 0.000 1.120 269 R CB 0.518 30.793 30.300 -0.042 0.000 1.353 269 R HN 0.684 nan 8.270 nan 0.000 0.564 270 S N -1.689 113.973 115.700 -0.064 0.000 2.550 270 S HA 0.230 4.700 4.470 -0.000 0.000 0.270 270 S C -0.417 174.152 174.600 -0.052 0.000 1.145 270 S CA -0.875 57.298 58.200 -0.046 0.000 0.852 270 S CB 1.937 65.117 63.200 -0.033 0.000 1.119 270 S HN -0.127 nan 8.310 nan 0.000 0.465 271 D N 1.250 121.634 120.400 -0.026 0.000 2.178 271 D HA 0.006 4.646 4.640 -0.000 0.000 0.202 271 D C 1.436 177.737 176.300 0.001 0.000 0.974 271 D CA 1.441 55.435 54.000 -0.011 0.000 0.841 271 D CB -0.025 40.781 40.800 0.010 0.000 0.953 271 D HN 0.675 nan 8.370 nan 0.000 0.478 272 E N 0.587 120.788 120.200 0.002 0.000 2.051 272 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 272 E C 2.054 178.661 176.600 0.011 0.000 0.991 272 E CA 1.216 57.626 56.400 0.016 0.000 0.799 272 E CB -0.440 29.269 29.700 0.014 0.000 0.748 272 E HN 0.250 nan 8.360 nan 0.000 0.449 273 A N 0.898 123.706 122.820 -0.020 0.000 1.877 273 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 273 A C 2.100 179.656 177.584 -0.047 0.000 1.186 273 A CA 1.633 53.646 52.037 -0.040 0.000 0.620 273 A CB -0.416 18.540 19.000 -0.073 0.000 0.822 273 A HN 0.076 nan 8.150 nan 0.000 0.443 274 R N -0.731 119.712 120.500 -0.095 0.000 2.081 274 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 274 R C 2.242 178.591 176.300 0.081 0.000 1.131 274 R CA 1.622 57.636 56.100 -0.143 0.000 0.960 274 R CB -0.416 29.733 30.300 -0.251 0.000 0.856 274 R HN 0.710 nan 8.270 nan 0.000 0.436 275 N N 0.263 119.011 118.700 0.081 0.000 2.084 275 N HA -0.136 4.604 4.740 -0.000 0.000 0.190 275 N C 1.537 177.142 175.510 0.159 0.000 1.030 275 N CA 1.934 55.060 53.050 0.127 0.000 0.849 275 N CB -0.108 38.436 38.487 0.094 0.000 1.012 275 N HN -0.048 nan 8.380 nan 0.000 0.423 276 S N 0.003 115.786 115.700 0.139 0.000 2.359 276 S HA -0.090 4.380 4.470 -0.000 0.000 0.224 276 S C 1.952 176.704 174.600 0.254 0.000 1.035 276 S CA 1.289 59.613 58.200 0.206 0.000 1.018 276 S CB -0.409 62.881 63.200 0.150 0.000 0.876 276 S HN 0.370 nan 8.310 nan 0.000 0.448 277 I N 0.778 121.448 120.570 0.166 0.000 2.286 277 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 277 I C 2.652 178.924 176.117 0.259 0.000 1.115 277 I CA 1.049 62.452 61.300 0.171 0.000 1.392 277 I CB -0.208 37.868 38.000 0.127 0.000 1.065 277 I HN 0.123 nan 8.210 nan 0.000 0.418 278 R N 0.811 121.477 120.500 0.277 0.000 2.115 278 R HA -0.086 4.254 4.340 -0.000 0.000 0.230 278 R C 2.031 178.475 176.300 0.240 0.000 1.111 278 R CA 1.278 57.542 56.100 0.275 0.000 0.976 278 R CB -0.684 29.785 30.300 0.282 0.000 0.870 278 R HN 0.166 nan 8.270 nan 0.000 0.445 279 V N -0.879 119.188 119.914 0.254 0.000 2.427 279 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 279 V C 1.792 178.081 176.094 0.324 0.000 1.051 279 V CA 1.616 64.068 62.300 0.254 0.000 1.048 279 V CB -0.597 31.417 31.823 0.318 0.000 0.666 279 V HN 0.456 nan 8.190 nan 0.000 0.456 280 W N 0.854 122.219 121.300 0.109 0.000 2.381 280 W HA -0.160 4.500 4.660 -0.000 0.000 0.301 280 W C 2.539 179.073 176.519 0.025 0.000 1.205 280 W CA 1.668 58.915 57.345 -0.164 0.000 1.285 280 W CB -0.201 29.053 29.460 -0.344 0.000 1.133 280 W HN 0.240 nan 8.180 nan 0.000 0.521 281 Q N -0.439 119.504 119.800 0.238 0.000 2.170 281 Q HA -0.267 4.073 4.340 -0.000 0.000 0.203 281 Q C 2.135 178.298 176.000 0.271 0.000 0.976 281 Q CA 1.673 57.646 55.803 0.283 0.000 0.858 281 Q CB -0.460 28.485 28.738 0.344 0.000 0.907 281 Q HN 0.486 nan 8.270 nan 0.000 0.433 282 Q N 0.057 119.884 119.800 0.045 0.000 2.224 282 Q HA -0.150 4.190 4.340 -0.000 0.000 0.203 282 Q C 1.705 177.676 176.000 -0.049 0.000 0.970 282 Q CA 0.660 56.308 55.803 -0.258 0.000 0.865 282 Q CB 0.180 28.614 28.738 -0.506 0.000 0.922 282 Q HN 0.331 nan 8.270 nan 0.000 0.445 283 E N 0.743 120.913 120.200 -0.050 0.000 2.107 283 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 283 E C 2.049 178.575 176.600 -0.123 0.000 0.982 283 E CA 0.691 57.049 56.400 -0.070 0.000 0.809 283 E CB -0.087 29.469 29.700 -0.241 0.000 0.756 283 E HN 0.392 nan 8.360 nan 0.000 0.459 284 L N 0.300 121.399 121.223 -0.205 0.000 2.141 284 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 284 L C 2.410 179.200 176.870 -0.133 0.000 1.094 284 L CA 0.954 55.726 54.840 -0.113 0.000 0.763 284 L CB -0.480 41.611 42.059 0.053 0.000 0.908 284 L HN 0.040 nan 8.230 nan 0.000 0.437 285 A N -0.774 121.875 122.820 -0.286 0.000 1.968 285 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 285 A C 1.915 179.318 177.584 -0.301 0.000 1.169 285 A CA 0.839 52.442 52.037 -0.722 0.000 0.638 285 A CB -0.735 17.932 19.000 -0.556 0.000 0.812 285 A HN 0.481 nan 8.150 nan 0.000 0.446 286 W N 0.055 121.243 121.300 -0.187 0.000 2.363 286 W HA -0.111 4.549 4.660 -0.000 0.000 0.296 286 W C 2.552 178.974 176.519 -0.161 0.000 1.212 286 W CA 1.626 58.803 57.345 -0.280 0.000 1.260 286 W CB -0.038 29.171 29.460 -0.419 0.000 1.131 286 W HN 0.343 nan 8.180 nan 0.000 0.530 287 R N 1.018 121.596 120.500 0.130 0.000 2.083 287 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 287 R C 1.814 178.169 176.300 0.092 0.000 1.137 287 R CA 2.062 58.245 56.100 0.138 0.000 0.951 287 R CB -0.436 29.905 30.300 0.069 0.000 0.851 287 R HN 0.193 nan 8.270 nan 0.000 0.434 288 E N -0.297 119.889 120.200 -0.024 0.000 2.152 288 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 288 E C 1.817 178.243 176.600 -0.290 0.000 0.983 288 E CA 0.935 57.289 56.400 -0.076 0.000 0.818 288 E CB -0.264 29.400 29.700 -0.059 0.000 0.758 288 E HN 0.342 nan 8.360 nan 0.000 0.467 289 F N 1.250 120.812 119.950 -0.647 0.000 2.095 289 F HA -0.265 4.262 4.527 -0.000 0.000 0.298 289 F C 1.949 177.478 175.800 -0.452 0.000 1.104 289 F CA 1.485 58.816 58.000 -1.116 0.000 1.232 289 F CB -0.329 37.924 39.000 -1.244 0.000 0.987 289 F HN -0.072 nan 8.300 nan 0.000 0.475 290 Y N 0.624 120.872 120.300 -0.087 0.000 2.242 290 Y HA -0.154 4.396 4.550 -0.000 0.000 0.291 290 Y C 2.617 178.504 175.900 -0.021 0.000 1.137 290 Y CA 1.475 59.540 58.100 -0.059 0.000 1.181 290 Y CB -1.126 37.385 38.460 0.085 0.000 0.989 290 Y HN 0.207 nan 8.280 nan 0.000 0.527 291 Q N -0.973 118.939 119.800 0.188 0.000 2.079 291 Q HA -0.187 4.153 4.340 -0.000 0.000 0.200 291 Q C 1.937 178.061 176.000 0.207 0.000 0.974 291 Q CA 1.394 57.318 55.803 0.201 0.000 0.840 291 Q CB -0.331 28.537 28.738 0.217 0.000 0.898 291 Q HN 0.706 nan 8.270 nan 0.000 0.430 292 H N -0.216 118.831 119.070 -0.037 0.000 2.353 292 H HA -0.086 4.470 4.556 -0.000 0.000 0.300 292 H C 2.143 177.461 175.328 -0.016 0.000 1.090 292 H CA 0.644 56.647 56.048 -0.076 0.000 1.327 292 H CB 0.168 29.961 29.762 0.052 0.000 1.383 292 H HN 0.295 nan 8.280 nan 0.000 0.508 293 A N 1.243 124.106 122.820 0.071 0.000 1.883 293 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 293 A C 2.346 180.084 177.584 0.256 0.000 1.186 293 A CA 1.371 53.499 52.037 0.152 0.000 0.624 293 A CB -0.686 18.282 19.000 -0.053 0.000 0.822 293 A HN 0.295 nan 8.150 nan 0.000 0.444 294 L N -1.722 119.620 121.223 0.198 0.000 2.093 294 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 294 L C 2.267 179.223 176.870 0.144 0.000 1.085 294 L CA 2.221 57.179 54.840 0.196 0.000 0.755 294 L CB -0.867 41.298 42.059 0.176 0.000 0.904 294 L HN 0.537 nan 8.230 nan 0.000 0.435 295 Y N -0.586 119.694 120.300 -0.034 0.000 2.114 295 Y HA -0.284 4.266 4.550 0.000 0.000 0.284 295 Y C 2.677 178.450 175.900 -0.212 0.000 1.143 295 Y CA 2.235 60.253 58.100 -0.137 0.000 1.135 295 Y CB -0.301 37.974 38.460 -0.308 0.000 0.980 295 Y HN 0.343 nan 8.280 nan 0.000 0.499 296 H N -1.443 117.576 119.070 -0.086 0.000 2.428 296 H HA 0.002 4.558 4.556 -0.000 0.000 0.296 296 H C -0.150 174.739 175.328 -0.731 0.000 1.062 296 H CA 1.155 56.891 56.048 -0.520 0.000 1.350 296 H CB -0.279 29.009 29.762 -0.789 0.000 1.403 296 H HN 0.265 nan 8.280 nan 0.000 0.533 297 F N 1.356 121.413 119.950 0.179 0.000 2.531 297 F HA 0.277 4.804 4.527 -0.000 0.000 0.333 297 F C -1.676 174.216 175.800 0.154 0.000 1.292 297 F CA -2.643 55.470 58.000 0.188 0.000 1.184 297 F CB 1.305 40.450 39.000 0.241 0.000 1.426 297 F HN -0.085 nan 8.300 nan 0.000 0.559 298 P HA -0.203 nan 4.420 nan 0.000 0.219 298 P C 1.567 178.975 177.300 0.178 0.000 1.146 298 P CA 1.539 64.726 63.100 0.144 0.000 0.808 298 P CB 0.107 31.842 31.700 0.059 0.000 0.779 299 S N -0.427 115.400 115.700 0.213 0.000 2.469 299 S HA -0.100 4.370 4.470 -0.000 0.000 0.238 299 S C 2.041 176.771 174.600 0.217 0.000 0.998 299 S CA 0.589 58.892 58.200 0.172 0.000 0.957 299 S CB -1.655 61.615 63.200 0.116 0.000 0.764 299 S HN 0.095 nan 8.310 nan 0.000 0.514 300 L N 1.082 122.486 121.223 0.300 0.000 2.127 300 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 300 L C 3.088 180.114 176.870 0.259 0.000 1.089 300 L CA 1.258 56.283 54.840 0.308 0.000 0.757 300 L CB -0.800 41.437 42.059 0.297 0.000 0.899 300 L HN 0.504 nan 8.230 nan 0.000 0.434 301 A N -0.611 122.331 122.820 0.203 0.000 2.070 301 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 301 A C 1.760 179.426 177.584 0.136 0.000 1.159 301 A CA 1.644 53.781 52.037 0.166 0.000 0.656 301 A CB -0.327 18.751 19.000 0.129 0.000 0.800 301 A HN 0.393 nan 8.150 nan 0.000 0.453 302 D N -1.073 119.402 120.400 0.125 0.000 2.348 302 D HA 0.330 4.970 4.640 -0.000 0.000 0.211 302 D C 1.139 177.469 176.300 0.051 0.000 0.998 302 D CA 1.305 55.344 54.000 0.066 0.000 0.873 302 D CB 0.466 41.298 40.800 0.054 0.000 0.925 302 D HN 0.557 nan 8.370 nan 0.000 0.524 303 G N 0.432 109.332 108.800 0.166 0.000 2.302 303 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.276 303 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.276 303 G C -2.820 172.335 174.900 0.425 0.000 1.316 303 G CA -1.155 44.067 45.100 0.203 0.000 0.988 303 G HN -0.202 nan 8.290 nan 0.000 0.479 304 P HA 0.108 nan 4.420 nan 0.000 0.257 304 P C -0.028 177.491 177.300 0.365 0.000 1.162 304 P CA 0.466 63.884 63.100 0.529 0.000 0.762 304 P CB 0.125 32.167 31.700 0.569 0.000 0.753 305 Y N 4.893 125.336 120.300 0.239 0.000 2.206 305 Y HA -0.016 4.534 4.550 0.000 0.000 0.292 305 Y C 1.465 177.459 175.900 0.157 0.000 1.123 305 Y CA 0.919 59.109 58.100 0.150 0.000 1.142 305 Y CB 0.036 38.538 38.460 0.069 0.000 1.006 305 Y HN 0.157 nan 8.280 nan 0.000 0.518 306 R N 0.157 120.927 120.500 0.451 0.000 2.438 306 R HA 0.075 4.415 4.340 -0.000 0.000 0.287 306 R C 1.641 178.099 176.300 0.263 0.000 1.077 306 R CA 0.773 57.091 56.100 0.363 0.000 1.034 306 R CB 1.164 31.723 30.300 0.431 0.000 0.993 306 R HN 0.187 nan 8.270 nan 0.000 0.459 307 S N 3.801 119.590 115.700 0.150 0.000 2.383 307 S HA -0.181 4.289 4.470 -0.000 0.000 0.229 307 S C 1.668 176.306 174.600 0.064 0.000 1.030 307 S CA 1.583 59.834 58.200 0.086 0.000 1.002 307 S CB -0.325 62.897 63.200 0.037 0.000 0.829 307 S HN 0.678 nan 8.310 nan 0.000 0.467 308 L N -0.441 120.794 121.223 0.020 0.000 1.989 308 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 308 L C 2.006 178.788 176.870 -0.146 0.000 1.071 308 L CA 2.026 56.780 54.840 -0.144 0.000 0.749 308 L CB -0.402 41.488 42.059 -0.281 0.000 0.890 308 L HN 0.511 nan 8.230 nan 0.000 0.431 309 W N -0.159 121.262 121.300 0.202 0.000 2.595 309 W HA -0.072 4.588 4.660 -0.000 0.000 0.257 309 W C 2.515 179.215 176.519 0.301 0.000 1.267 309 W CA 0.368 57.880 57.345 0.279 0.000 1.300 309 W CB -0.065 29.588 29.460 0.323 0.000 1.120 309 W HN 0.276 nan 8.180 nan 0.000 0.618 310 Q N -0.160 119.856 119.800 0.359 0.000 2.378 310 Q HA -0.124 4.216 4.340 -0.000 0.000 0.205 310 Q C 1.635 177.743 176.000 0.181 0.000 0.954 310 Q CA 0.911 56.870 55.803 0.259 0.000 0.901 310 Q CB -0.037 28.796 28.738 0.158 0.000 0.981 310 Q HN 0.476 nan 8.270 nan 0.000 0.483 311 Q N -0.915 118.956 119.800 0.119 0.000 2.246 311 Q HA 0.110 4.450 4.340 -0.000 0.000 0.222 311 Q C -0.427 175.540 176.000 -0.055 0.000 0.851 311 Q CA -0.456 55.356 55.803 0.016 0.000 0.945 311 Q CB 0.501 29.206 28.738 -0.055 0.000 1.122 311 Q HN 0.174 nan 8.270 nan 0.000 0.508 312 F N 5.092 124.935 119.950 -0.179 0.000 2.604 312 F HA -0.015 4.512 4.527 0.000 0.000 0.393 312 F C -1.753 173.749 175.800 -0.497 0.000 1.043 312 F CA -1.665 56.065 58.000 -0.451 0.000 1.227 312 F CB 0.785 39.422 39.000 -0.605 0.000 1.016 312 F HN -0.037 nan 8.300 nan 0.000 0.556 313 P HA -0.004 nan 4.420 nan 0.000 0.244 313 P C -1.168 175.842 177.300 -0.483 0.000 1.769 313 P CA -0.181 62.556 63.100 -0.605 0.000 1.102 313 P CB -0.562 30.797 31.700 -0.568 0.000 1.937 314 W N 1.283 122.600 121.300 0.028 0.000 2.223 314 W HA 0.090 4.750 4.660 -0.000 0.000 0.334 314 W C 1.873 178.409 176.519 0.028 0.000 1.334 314 W CA -0.105 57.332 57.345 0.154 0.000 1.246 314 W CB 0.434 29.986 29.460 0.154 0.000 1.184 314 W HN 0.409 nan 8.180 nan 0.000 0.563 315 E N 2.220 122.587 120.200 0.278 0.000 2.072 315 E HA -0.303 4.047 4.350 -0.000 0.000 0.191 315 E C 0.455 177.128 176.600 0.122 0.000 0.985 315 E CA 1.223 57.708 56.400 0.141 0.000 0.801 315 E CB -0.082 29.696 29.700 0.130 0.000 0.750 315 E HN 0.525 nan 8.360 nan 0.000 0.452 316 N N 1.239 120.024 118.700 0.142 0.000 2.725 316 N HA -0.194 4.546 4.740 -0.000 0.000 0.251 316 N C -1.146 174.385 175.510 0.036 0.000 1.031 316 N CA 0.821 53.898 53.050 0.045 0.000 0.720 316 N CB -1.381 37.112 38.487 0.010 0.000 0.930 316 N HN 0.266 nan 8.380 nan 0.000 0.543 317 R N 0.781 121.319 120.500 0.063 0.000 2.288 317 R HA 0.006 4.346 4.340 -0.000 0.000 0.330 317 R C 1.364 177.718 176.300 0.091 0.000 1.069 317 R CA -0.292 55.849 56.100 0.068 0.000 0.941 317 R CB 0.648 30.993 30.300 0.075 0.000 0.998 317 R HN 0.157 nan 8.270 nan 0.000 0.452 318 E N 3.388 123.637 120.200 0.082 0.000 2.130 318 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 318 E C 1.646 178.341 176.600 0.158 0.000 0.998 318 E CA 2.089 58.563 56.400 0.125 0.000 0.806 318 E CB 0.067 29.821 29.700 0.090 0.000 0.738 318 E HN 0.721 nan 8.360 nan 0.000 0.459 319 A N 0.054 122.942 122.820 0.113 0.000 1.933 319 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 319 A C 2.266 179.922 177.584 0.120 0.000 1.175 319 A CA 1.375 53.473 52.037 0.102 0.000 0.628 319 A CB -0.601 18.446 19.000 0.079 0.000 0.814 319 A HN 0.327 nan 8.150 nan 0.000 0.444 320 L N -2.242 119.063 121.223 0.137 0.000 2.093 320 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 320 L C 2.473 179.465 176.870 0.204 0.000 1.085 320 L CA 1.341 56.276 54.840 0.157 0.000 0.755 320 L CB -0.558 41.579 42.059 0.130 0.000 0.904 320 L HN 0.480 nan 8.230 nan 0.000 0.435 321 F N 1.165 121.146 119.950 0.052 0.000 2.102 321 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 321 F C 2.484 178.353 175.800 0.115 0.000 1.105 321 F CA 1.975 60.004 58.000 0.048 0.000 1.239 321 F CB -0.602 38.380 39.000 -0.030 0.000 0.991 321 F HN -0.061 nan 8.300 nan 0.000 0.474 322 T N 0.805 115.358 114.554 -0.001 0.000 2.684 322 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 322 T C 2.235 176.873 174.700 -0.102 0.000 1.036 322 T CA 1.693 63.732 62.100 -0.101 0.000 1.148 322 T CB -0.984 67.901 68.868 0.028 0.000 0.863 322 T HN 0.374 nan 8.240 nan 0.000 0.436 323 A N 0.348 123.175 122.820 0.012 0.000 1.908 323 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 323 A C 2.050 179.661 177.584 0.045 0.000 1.181 323 A CA 1.741 53.803 52.037 0.042 0.000 0.627 323 A CB -1.161 17.904 19.000 0.109 0.000 0.818 323 A HN 0.720 nan 8.150 nan 0.000 0.445 324 W N 1.552 122.768 121.300 -0.140 0.000 2.354 324 W HA -0.224 4.436 4.660 -0.000 0.000 0.315 324 W C 2.646 178.971 176.519 -0.324 0.000 1.206 324 W CA 3.114 60.373 57.345 -0.144 0.000 1.290 324 W CB -0.603 28.801 29.460 -0.093 0.000 1.152 324 W HN 0.409 nan 8.180 nan 0.000 0.489 325 T N -1.295 112.944 114.554 -0.524 0.000 2.929 325 T HA -0.215 4.135 4.350 -0.000 0.000 0.271 325 T C 1.378 175.813 174.700 -0.442 0.000 1.085 325 T CA 1.637 63.165 62.100 -0.953 0.000 1.125 325 T CB -0.437 67.707 68.868 -1.207 0.000 0.874 325 T HN 0.423 nan 8.240 nan 0.000 0.494 326 Q N 0.632 120.276 119.800 -0.259 0.000 2.280 326 Q HA 0.602 4.942 4.340 -0.000 0.000 0.201 326 Q C 0.967 176.909 176.000 -0.097 0.000 0.890 326 Q CA 0.130 55.861 55.803 -0.120 0.000 0.947 326 Q CB 0.285 28.987 28.738 -0.061 0.000 1.081 326 Q HN 0.656 nan 8.270 nan 0.000 0.502 327 A N 1.449 124.176 122.820 -0.155 0.000 2.791 327 A HA -0.194 4.126 4.320 -0.000 0.000 0.292 327 A C 0.391 177.962 177.584 -0.021 0.000 1.487 327 A CA 0.737 52.716 52.037 -0.096 0.000 0.760 327 A CB -1.182 17.784 19.000 -0.058 0.000 1.031 327 A HN 0.373 nan 8.150 nan 0.000 0.503 328 Q N -0.689 119.091 119.800 -0.033 0.000 2.182 328 Q HA 0.147 4.487 4.340 -0.000 0.000 0.305 328 Q C 1.381 177.364 176.000 -0.028 0.000 0.880 328 Q CA 0.668 56.437 55.803 -0.056 0.000 1.131 328 Q CB 0.082 28.795 28.738 -0.042 0.000 1.237 328 Q HN 1.091 nan 8.270 nan 0.000 0.447 329 T N -4.150 110.426 114.554 0.036 0.000 3.043 329 T HA 0.148 4.498 4.350 -0.000 0.000 0.263 329 T C 1.426 176.247 174.700 0.202 0.000 1.094 329 T CA 1.024 63.235 62.100 0.185 0.000 1.127 329 T CB 0.247 69.244 68.868 0.215 0.000 0.905 329 T HN 0.446 nan 8.240 nan 0.000 0.490 330 G N 0.357 109.137 108.800 -0.033 0.000 2.176 330 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.253 330 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.253 330 G C -0.219 174.727 174.900 0.076 0.000 0.979 330 G CA 0.042 45.059 45.100 -0.138 0.000 0.641 330 G HN 0.606 nan 8.290 nan 0.000 0.530 331 Y N 0.443 120.788 120.300 0.074 0.000 2.491 331 Y HA 0.453 5.003 4.550 -0.000 0.000 0.334 331 Y C -0.948 174.998 175.900 0.077 0.000 0.969 331 Y CA -2.018 56.101 58.100 0.031 0.000 1.241 331 Y CB 1.711 40.041 38.460 -0.218 0.000 1.105 331 Y HN -0.027 nan 8.280 nan 0.000 0.503 332 P HA -0.295 nan 4.420 nan 0.000 0.217 332 P C 1.860 179.233 177.300 0.123 0.000 1.162 332 P CA 1.542 64.717 63.100 0.126 0.000 0.901 332 P CB 0.323 32.027 31.700 0.007 0.000 0.793 333 I N -1.048 119.603 120.570 0.136 0.000 2.264 333 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 333 I C 1.925 178.118 176.117 0.127 0.000 1.111 333 I CA 1.580 62.980 61.300 0.167 0.000 1.382 333 I CB -0.677 37.417 38.000 0.156 0.000 1.060 333 I HN -0.226 nan 8.210 nan 0.000 0.418 334 V N 0.614 120.547 119.914 0.032 0.000 2.323 334 V HA -0.229 3.891 4.120 -0.000 0.000 0.244 334 V C 2.157 178.220 176.094 -0.052 0.000 1.041 334 V CA 2.056 64.309 62.300 -0.078 0.000 1.025 334 V CB -0.883 30.710 31.823 -0.383 0.000 0.656 334 V HN 0.372 nan 8.190 nan 0.000 0.451 335 D N 0.546 120.953 120.400 0.012 0.000 2.144 335 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 335 D C 2.223 178.538 176.300 0.025 0.000 0.978 335 D CA 1.563 55.580 54.000 0.029 0.000 0.833 335 D CB -0.271 40.633 40.800 0.172 0.000 0.961 335 D HN 0.429 nan 8.370 nan 0.000 0.470 336 A N 1.206 124.064 122.820 0.064 0.000 1.902 336 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 336 A C 2.340 179.893 177.584 -0.052 0.000 1.181 336 A CA 2.222 54.286 52.037 0.045 0.000 0.623 336 A CB -0.695 18.334 19.000 0.048 0.000 0.818 336 A HN 0.238 nan 8.150 nan 0.000 0.443 337 A N -0.917 121.942 122.820 0.066 0.000 1.902 337 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 337 A C 2.130 179.611 177.584 -0.171 0.000 1.181 337 A CA 1.972 54.017 52.037 0.014 0.000 0.623 337 A CB -0.464 18.570 19.000 0.057 0.000 0.818 337 A HN 0.422 nan 8.150 nan 0.000 0.443 338 M N -0.634 118.857 119.600 -0.181 0.000 2.296 338 M HA -0.035 4.445 4.480 -0.000 0.000 0.265 338 M C 2.041 178.210 176.300 -0.218 0.000 1.064 338 M CA 1.061 56.207 55.300 -0.255 0.000 1.109 338 M CB -1.158 31.220 32.600 -0.369 0.000 1.396 338 M HN 0.334 nan 8.290 nan 0.000 0.430 339 R N 0.029 120.425 120.500 -0.173 0.000 2.073 339 R HA -0.109 4.231 4.340 -0.000 0.000 0.229 339 R C 2.074 178.208 176.300 -0.278 0.000 1.120 339 R CA 1.081 57.110 56.100 -0.117 0.000 0.967 339 R CB -0.691 29.631 30.300 0.036 0.000 0.862 339 R HN 0.571 nan 8.270 nan 0.000 0.436 340 Q N 0.828 120.245 119.800 -0.638 0.000 2.084 340 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 340 Q C 2.083 177.781 176.000 -0.504 0.000 0.978 340 Q CA 1.349 56.466 55.803 -1.142 0.000 0.844 340 Q CB -0.075 27.827 28.738 -1.393 0.000 0.898 340 Q HN 0.157 nan 8.270 nan 0.000 0.426 341 L N 0.714 121.716 121.223 -0.368 0.000 1.976 341 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 341 L C 2.475 179.237 176.870 -0.181 0.000 1.071 341 L CA 2.771 57.441 54.840 -0.282 0.000 0.746 341 L CB -1.156 40.693 42.059 -0.351 0.000 0.890 341 L HN 0.459 nan 8.230 nan 0.000 0.432 342 T N -3.750 110.673 114.554 -0.219 0.000 2.915 342 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 342 T C 1.595 176.353 174.700 0.098 0.000 1.071 342 T CA 1.408 63.410 62.100 -0.162 0.000 1.132 342 T CB -0.506 68.225 68.868 -0.229 0.000 0.878 342 T HN 0.557 nan 8.240 nan 0.000 0.479 343 E N 1.047 121.276 120.200 0.049 0.000 2.250 343 E HA 0.013 4.363 4.350 -0.000 0.000 0.192 343 E C 2.067 178.758 176.600 0.151 0.000 0.986 343 E CA 1.316 57.772 56.400 0.093 0.000 0.849 343 E CB 0.152 29.918 29.700 0.110 0.000 0.797 343 E HN 0.778 nan 8.360 nan 0.000 0.482 344 T N -3.859 110.818 114.554 0.206 0.000 3.043 344 T HA 0.309 4.659 4.350 -0.000 0.000 0.272 344 T C 1.414 176.389 174.700 0.458 0.000 0.990 344 T CA 0.290 62.584 62.100 0.322 0.000 0.897 344 T CB 0.918 69.914 68.868 0.213 0.000 1.111 344 T HN 0.192 nan 8.240 nan 0.000 0.529 345 G N 0.711 109.708 108.800 0.328 0.000 2.168 345 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.257 345 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.257 345 G C -0.243 174.737 174.900 0.132 0.000 0.997 345 G CA 0.370 45.517 45.100 0.079 0.000 0.708 345 G HN 0.773 nan 8.290 nan 0.000 0.520 346 W N -0.819 120.424 121.300 -0.095 0.000 3.213 346 W HA 0.759 5.419 4.660 -0.000 0.000 0.318 346 W C -0.872 175.542 176.519 -0.176 0.000 1.248 346 W CA -1.198 56.075 57.345 -0.120 0.000 1.187 346 W CB 1.175 30.616 29.460 -0.031 0.000 1.403 346 W HN 0.198 nan 8.180 nan 0.000 0.556 347 M N 4.526 123.576 119.600 -0.918 0.000 2.378 347 M HA 0.258 4.738 4.480 -0.000 0.000 0.289 347 M C -1.259 174.256 176.300 -1.308 0.000 1.136 347 M CA -0.852 53.964 55.300 -0.807 0.000 0.917 347 M CB 1.754 33.997 32.600 -0.595 0.000 1.669 347 M HN 0.689 nan 8.290 nan 0.000 0.461 348 H N 3.316 121.852 119.070 -0.889 0.000 2.897 348 H HA 0.048 4.604 4.556 -0.000 0.000 0.347 348 H C 0.967 175.960 175.328 -0.558 0.000 1.068 348 H CA 1.412 57.048 56.048 -0.687 0.000 1.426 348 H CB 0.772 30.361 29.762 -0.289 0.000 1.410 348 H HN 0.782 nan 8.280 nan 0.000 0.597 349 N N 3.176 121.403 118.700 -0.788 0.000 2.094 349 N HA -0.259 4.481 4.740 -0.000 0.000 0.191 349 N C 1.923 177.224 175.510 -0.348 0.000 1.023 349 N CA 1.290 54.019 53.050 -0.535 0.000 0.857 349 N CB 0.007 38.176 38.487 -0.530 0.000 1.013 349 N HN 0.605 nan 8.380 nan 0.000 0.426 350 R N 1.056 121.467 120.500 -0.149 0.000 2.096 350 R HA -0.006 4.334 4.340 -0.000 0.000 0.235 350 R C 2.297 178.507 176.300 -0.151 0.000 1.127 350 R CA 1.571 57.557 56.100 -0.190 0.000 0.968 350 R CB -1.146 28.996 30.300 -0.264 0.000 0.861 350 R HN 0.351 nan 8.270 nan 0.000 0.440 351 C N -0.058 119.162 119.300 -0.134 0.000 2.450 351 C HA 0.145 4.605 4.460 -0.000 0.000 0.279 351 C C 2.431 177.367 174.990 -0.090 0.000 1.335 351 C CA 0.434 59.380 59.018 -0.120 0.000 1.749 351 C CB -0.784 26.864 27.740 -0.153 0.000 1.963 351 C HN 0.500 nan 8.230 nan 0.000 0.501 352 R N 0.502 120.910 120.500 -0.153 0.000 2.096 352 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 352 R C 2.197 178.369 176.300 -0.212 0.000 1.127 352 R CA 1.337 57.397 56.100 -0.067 0.000 0.968 352 R CB -0.299 29.927 30.300 -0.124 0.000 0.861 352 R HN 0.571 nan 8.270 nan 0.000 0.440 353 M N 0.135 119.567 119.600 -0.279 0.000 2.099 353 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 353 M C 2.288 178.365 176.300 -0.372 0.000 1.067 353 M CA 1.632 56.702 55.300 -0.383 0.000 1.124 353 M CB -0.281 32.142 32.600 -0.294 0.000 1.353 353 M HN 0.102 nan 8.290 nan 0.000 0.410 354 I N 0.167 120.664 120.570 -0.122 0.000 2.163 354 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 354 I C 2.437 178.582 176.117 0.046 0.000 1.085 354 I CA 1.539 62.850 61.300 0.018 0.000 1.347 354 I CB -0.561 37.504 38.000 0.108 0.000 1.044 354 I HN 0.233 nan 8.210 nan 0.000 0.408 355 V N -1.041 118.933 119.914 0.100 0.000 2.667 355 V HA -0.047 4.073 4.120 -0.000 0.000 0.252 355 V C 2.439 178.750 176.094 0.363 0.000 1.065 355 V CA 1.408 63.916 62.300 0.346 0.000 1.083 355 V CB -0.991 31.082 31.823 0.417 0.000 0.692 355 V HN 0.311 nan 8.190 nan 0.000 0.468 356 A N 0.457 123.215 122.820 -0.103 0.000 1.897 356 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 356 A C 2.549 179.972 177.584 -0.267 0.000 1.181 356 A CA 1.978 53.704 52.037 -0.518 0.000 0.620 356 A CB -0.955 17.304 19.000 -1.234 0.000 0.821 356 A HN 0.604 nan 8.150 nan 0.000 0.443 357 S N -1.542 113.971 115.700 -0.311 0.000 2.382 357 S HA -0.148 4.322 4.470 -0.000 0.000 0.228 357 S C 1.754 176.291 174.600 -0.105 0.000 1.027 357 S CA 1.527 59.545 58.200 -0.303 0.000 0.991 357 S CB -0.525 62.387 63.200 -0.479 0.000 0.823 357 S HN 0.520 nan 8.310 nan 0.000 0.469 358 F N 1.627 121.516 119.950 -0.102 0.000 2.102 358 F HA 0.011 4.538 4.527 -0.000 0.000 0.298 358 F C 1.863 177.618 175.800 -0.075 0.000 1.105 358 F CA 1.419 59.390 58.000 -0.048 0.000 1.239 358 F CB -0.528 38.493 39.000 0.036 0.000 0.991 358 F HN 0.294 nan 8.300 nan 0.000 0.474 359 L N 0.214 121.425 121.223 -0.021 0.000 2.017 359 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 359 L C 2.598 179.347 176.870 -0.201 0.000 1.073 359 L CA 2.632 57.269 54.840 -0.338 0.000 0.745 359 L CB -1.280 40.362 42.059 -0.695 0.000 0.894 359 L HN 0.413 nan 8.230 nan 0.000 0.432 360 T N -3.841 110.657 114.554 -0.092 0.000 2.851 360 T HA -0.060 4.290 4.350 -0.000 0.000 0.262 360 T C 1.835 176.574 174.700 0.064 0.000 1.043 360 T CA 0.767 62.904 62.100 0.063 0.000 1.140 360 T CB -0.206 68.698 68.868 0.061 0.000 0.872 360 T HN 0.205 nan 8.240 nan 0.000 0.446 361 K N 1.280 121.521 120.400 -0.266 0.000 2.099 361 K HA 0.160 4.480 4.320 -0.000 0.000 0.203 361 K C 1.878 178.330 176.600 -0.245 0.000 1.047 361 K CA 1.247 57.210 56.287 -0.541 0.000 0.963 361 K CB -0.478 31.666 32.500 -0.594 0.000 0.759 361 K HN 0.410 nan 8.250 nan 0.000 0.451 362 D N 1.027 121.230 120.400 -0.328 0.000 2.120 362 D HA 0.016 4.656 4.640 -0.000 0.000 0.202 362 D C 1.866 177.969 176.300 -0.327 0.000 0.972 362 D CA 0.723 54.472 54.000 -0.419 0.000 0.837 362 D CB 0.073 40.265 40.800 -1.014 0.000 0.989 362 D HN -0.019 nan 8.370 nan 0.000 0.469 363 L N 0.380 121.386 121.223 -0.362 0.000 2.446 363 L HA 0.214 4.554 4.340 -0.000 0.000 0.219 363 L C 0.250 177.150 176.870 0.050 0.000 1.116 363 L CA 0.016 54.768 54.840 -0.147 0.000 0.844 363 L CB -0.067 41.899 42.059 -0.155 0.000 0.970 363 L HN 0.094 nan 8.230 nan 0.000 0.457 364 I N 0.883 121.552 120.570 0.165 0.000 6.833 364 I HA -0.272 3.898 4.170 -0.000 0.000 0.126 364 I C -0.376 176.034 176.117 0.489 0.000 1.810 364 I CA 0.530 62.116 61.300 0.477 0.000 2.119 364 I CB -1.726 36.533 38.000 0.433 0.000 3.512 364 I HN 0.165 nan 8.210 nan 0.000 0.194 365 I N 1.320 122.037 120.570 0.245 0.000 2.441 365 I HA 0.275 4.445 4.170 -0.000 0.000 0.295 365 I C 0.765 176.569 176.117 -0.521 0.000 0.994 365 I CA -0.654 60.624 61.300 -0.038 0.000 1.144 365 I CB 1.523 39.422 38.000 -0.168 0.000 1.314 365 I HN 0.086 nan 8.210 nan 0.000 0.445 366 D N 6.815 126.677 120.400 -0.898 0.000 2.662 366 D HA -0.150 4.490 4.640 -0.000 0.000 0.233 366 D C 1.153 176.729 176.300 -1.206 0.000 1.129 366 D CA 0.265 53.211 54.000 -1.757 0.000 0.851 366 D CB 0.689 40.799 40.800 -1.150 0.000 1.152 366 D HN 0.565 nan 8.370 nan 0.000 0.507 367 W N 4.865 125.506 121.300 -1.098 0.000 2.421 367 W HA -0.130 4.530 4.660 0.000 0.000 0.270 367 W C 1.248 177.314 176.519 -0.755 0.000 1.233 367 W CA -0.174 56.765 57.345 -0.676 0.000 1.226 367 W CB -0.695 28.598 29.460 -0.278 0.000 1.121 367 W HN 0.387 nan 8.180 nan 0.000 0.579 368 R N 0.438 120.268 120.500 -1.115 0.000 2.193 368 R HA -0.085 4.255 4.340 -0.000 0.000 0.229 368 R C 2.401 178.308 176.300 -0.656 0.000 1.110 368 R CA 1.082 56.646 56.100 -0.894 0.000 0.988 368 R CB -0.218 29.509 30.300 -0.955 0.000 0.871 368 R HN 0.004 nan 8.270 nan 0.000 0.458 369 R N -0.350 119.722 120.500 -0.714 0.000 2.090 369 R HA -0.008 4.332 4.340 -0.000 0.000 0.228 369 R C 2.220 178.259 176.300 -0.434 0.000 1.110 369 R CA 1.395 57.105 56.100 -0.649 0.000 0.973 369 R CB -0.798 28.881 30.300 -1.035 0.000 0.869 369 R HN 0.332 nan 8.270 nan 0.000 0.440 370 G N 0.882 109.224 108.800 -0.762 0.000 2.403 370 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 370 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 370 G C 1.380 175.555 174.900 -1.207 0.000 1.154 370 G CA 0.493 44.993 45.100 -1.000 0.000 0.784 370 G HN 0.412 nan 8.290 nan 0.000 0.538 371 E N 0.112 119.367 120.200 -1.575 0.000 2.058 371 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 371 E C 2.334 178.789 176.600 -0.243 0.000 0.997 371 E CA 1.475 57.257 56.400 -1.030 0.000 0.801 371 E CB -0.230 29.176 29.700 -0.490 0.000 0.746 371 E HN 0.616 nan 8.360 nan 0.000 0.450 372 Q N -0.561 119.138 119.800 -0.168 0.000 2.079 372 Q HA -0.190 4.150 4.340 -0.000 0.000 0.200 372 Q C 2.062 178.186 176.000 0.207 0.000 0.974 372 Q CA 1.534 57.348 55.803 0.019 0.000 0.840 372 Q CB -0.256 28.475 28.738 -0.011 0.000 0.898 372 Q HN 0.363 nan 8.270 nan 0.000 0.430 373 F N 0.103 120.184 119.950 0.220 0.000 2.134 373 F HA -0.209 4.318 4.527 -0.000 0.000 0.299 373 F C 1.584 177.705 175.800 0.535 0.000 1.097 373 F CA 1.139 59.402 58.000 0.439 0.000 1.264 373 F CB -0.253 39.142 39.000 0.658 0.000 1.001 373 F HN 0.114 nan 8.300 nan 0.000 0.479 374 F N -0.024 120.122 119.950 0.326 0.000 2.134 374 F HA -0.256 4.271 4.527 -0.000 0.000 0.299 374 F C 2.349 178.187 175.800 0.063 0.000 1.097 374 F CA 1.239 59.383 58.000 0.240 0.000 1.264 374 F CB -0.969 38.302 39.000 0.451 0.000 1.001 374 F HN -0.034 nan 8.300 nan 0.000 0.479 375 M N -0.642 119.097 119.600 0.232 0.000 2.296 375 M HA -0.180 4.300 4.480 -0.000 0.000 0.265 375 M C 1.776 178.048 176.300 -0.046 0.000 1.064 375 M CA 1.281 56.627 55.300 0.076 0.000 1.109 375 M CB -1.358 31.279 32.600 0.063 0.000 1.396 375 M HN 0.273 nan 8.290 nan 0.000 0.430 376 Q N -1.336 118.397 119.800 -0.112 0.000 2.472 376 Q HA -0.074 4.266 4.340 -0.000 0.000 0.208 376 Q C 1.152 176.749 176.000 -0.671 0.000 0.958 376 Q CA 0.643 56.248 55.803 -0.330 0.000 0.932 376 Q CB 0.284 28.824 28.738 -0.330 0.000 1.007 376 Q HN 0.622 nan 8.270 nan 0.000 0.508 377 H N -1.766 117.138 119.070 -0.276 0.000 3.436 377 H HA 0.194 4.750 4.556 -0.000 0.000 0.244 377 H C 0.030 175.189 175.328 -0.282 0.000 1.009 377 H CA -0.132 55.730 56.048 -0.310 0.000 1.129 377 H CB 0.842 30.355 29.762 -0.415 0.000 1.473 377 H HN 0.067 nan 8.280 nan 0.000 0.510 378 L N 2.158 123.303 121.223 -0.130 0.000 2.418 378 L HA -0.013 4.327 4.340 -0.000 0.000 0.274 378 L C 1.756 178.568 176.870 -0.096 0.000 1.135 378 L CA 0.001 54.762 54.840 -0.130 0.000 0.870 378 L CB 1.596 43.581 42.059 -0.122 0.000 1.154 378 L HN 0.012 nan 8.230 nan 0.000 0.462 379 V N 2.877 122.756 119.914 -0.058 0.000 2.759 379 V HA -0.188 3.932 4.120 -0.000 0.000 0.256 379 V C 1.398 177.500 176.094 0.014 0.000 1.080 379 V CA 2.235 64.523 62.300 -0.020 0.000 1.101 379 V CB -0.274 31.589 31.823 0.066 0.000 0.698 379 V HN 1.061 nan 8.190 nan 0.000 0.477 380 D N -0.551 119.857 120.400 0.015 0.000 2.402 380 D HA 0.186 4.826 4.640 -0.000 0.000 0.216 380 D C 1.035 177.310 176.300 -0.041 0.000 1.128 380 D CA 0.261 54.253 54.000 -0.013 0.000 0.833 380 D CB -0.520 40.303 40.800 0.038 0.000 0.971 380 D HN 0.348 nan 8.370 nan 0.000 0.503 381 G N 0.682 109.463 108.800 -0.032 0.000 2.138 381 G HA2 0.197 4.157 3.960 -0.000 0.000 0.256 381 G HA3 0.197 4.157 3.960 -0.000 0.000 0.256 381 G C -0.711 174.165 174.900 -0.040 0.000 1.141 381 G CA 0.041 45.134 45.100 -0.012 0.000 0.967 381 G HN 0.297 nan 8.290 nan 0.000 0.435 382 D N 1.789 122.181 120.400 -0.012 0.000 2.788 382 D HA 0.228 4.868 4.640 -0.000 0.000 0.247 382 D C 1.152 177.464 176.300 0.020 0.000 1.236 382 D CA -0.839 53.146 54.000 -0.026 0.000 0.898 382 D CB 1.341 42.119 40.800 -0.037 0.000 1.401 382 D HN 0.113 nan 8.370 nan 0.000 0.549 383 L N 4.689 125.930 121.223 0.030 0.000 2.010 383 L HA -0.142 4.198 4.340 -0.000 0.000 0.219 383 L C 1.970 178.878 176.870 0.063 0.000 1.077 383 L CA 2.869 57.745 54.840 0.060 0.000 0.773 383 L CB -0.843 41.257 42.059 0.068 0.000 0.892 383 L HN 0.629 nan 8.230 nan 0.000 0.436 384 A N -0.858 122.002 122.820 0.067 0.000 1.858 384 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 384 A C 2.417 179.995 177.584 -0.011 0.000 1.190 384 A CA 2.295 54.379 52.037 0.078 0.000 0.617 384 A CB -1.316 17.762 19.000 0.130 0.000 0.827 384 A HN 0.627 nan 8.150 nan 0.000 0.443 385 A N -0.315 122.490 122.820 -0.026 0.000 1.929 385 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 385 A C 1.974 179.423 177.584 -0.225 0.000 1.176 385 A CA 2.009 53.952 52.037 -0.157 0.000 0.628 385 A CB -0.677 18.295 19.000 -0.046 0.000 0.816 385 A HN 0.612 nan 8.150 nan 0.000 0.444 386 N N 0.395 119.069 118.700 -0.042 0.000 2.171 386 N HA -0.156 4.584 4.740 -0.000 0.000 0.184 386 N C 1.742 177.332 175.510 0.134 0.000 1.021 386 N CA 1.638 54.751 53.050 0.104 0.000 0.854 386 N CB -0.372 38.245 38.487 0.216 0.000 0.994 386 N HN 0.526 nan 8.380 nan 0.000 0.426 387 N N -0.142 118.598 118.700 0.067 0.000 2.120 387 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 387 N C 1.736 177.170 175.510 -0.127 0.000 1.024 387 N CA 1.404 54.498 53.050 0.073 0.000 0.852 387 N CB -0.448 38.106 38.487 0.112 0.000 1.003 387 N HN 0.367 nan 8.380 nan 0.000 0.424 388 G N 0.030 108.635 108.800 -0.325 0.000 2.446 388 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 388 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 388 G C 1.542 176.089 174.900 -0.588 0.000 1.168 388 G CA 1.106 45.811 45.100 -0.660 0.000 0.771 388 G HN 0.466 nan 8.290 nan 0.000 0.551 389 G N -0.233 108.206 108.800 -0.602 0.000 2.418 389 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 389 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 389 G C 1.601 176.225 174.900 -0.460 0.000 1.158 389 G CA 0.755 45.559 45.100 -0.493 0.000 0.771 389 G HN 0.495 nan 8.290 nan 0.000 0.545 390 W N 0.813 121.887 121.300 -0.376 0.000 2.418 390 W HA 0.073 4.733 4.660 -0.000 0.000 0.292 390 W C 3.035 179.042 176.519 -0.854 0.000 1.213 390 W CA 0.919 57.972 57.345 -0.485 0.000 1.283 390 W CB 0.082 29.352 29.460 -0.316 0.000 1.119 390 W HN 0.200 nan 8.180 nan 0.000 0.542 391 Q N -1.494 117.883 119.800 -0.706 0.000 2.172 391 Q HA -0.217 4.123 4.340 -0.000 0.000 0.200 391 Q C 1.919 177.611 176.000 -0.514 0.000 0.964 391 Q CA 1.502 56.783 55.803 -0.869 0.000 0.855 391 Q CB -0.834 27.582 28.738 -0.537 0.000 0.918 391 Q HN 0.472 nan 8.270 nan 0.000 0.444 392 W N 1.628 122.658 121.300 -0.450 0.000 2.355 392 W HA -0.168 4.492 4.660 0.000 0.000 0.309 392 W C 2.229 178.493 176.519 -0.425 0.000 1.206 392 W CA 1.809 58.951 57.345 -0.338 0.000 1.284 392 W CB -0.092 29.207 29.460 -0.269 0.000 1.145 392 W HN -0.054 nan 8.180 nan 0.000 0.502 393 S N 0.114 115.682 115.700 -0.221 0.000 2.419 393 S HA -0.117 4.353 4.470 -0.000 0.000 0.233 393 S C 1.690 175.962 174.600 -0.547 0.000 1.016 393 S CA 1.216 59.175 58.200 -0.401 0.000 0.974 393 S CB -0.557 62.372 63.200 -0.452 0.000 0.786 393 S HN 0.377 nan 8.310 nan 0.000 0.492 394 A N 0.960 123.409 122.820 -0.617 0.000 2.308 394 A HA 0.403 4.723 4.320 -0.000 0.000 0.217 394 A C 1.101 178.091 177.584 -0.990 0.000 1.216 394 A CA 0.593 52.215 52.037 -0.692 0.000 0.864 394 A CB -0.381 18.215 19.000 -0.674 0.000 0.902 394 A HN 0.940 nan 8.150 nan 0.000 0.499 395 S N -0.302 114.906 115.700 -0.820 0.000 3.631 395 S HA -0.189 4.281 4.470 -0.000 0.000 0.366 395 S C 0.244 174.429 174.600 -0.691 0.000 0.993 395 S CA 0.706 58.494 58.200 -0.686 0.000 1.167 395 S CB -2.907 59.977 63.200 -0.526 0.000 0.909 395 S HN 1.725 nan 8.310 nan 0.000 0.478 396 S N -0.589 114.691 115.700 -0.700 0.000 2.694 396 S HA 0.661 5.131 4.470 -0.000 0.000 0.211 396 S C 0.902 175.477 174.600 -0.041 0.000 1.328 396 S CA -0.305 57.613 58.200 -0.470 0.000 1.236 396 S CB 0.465 63.426 63.200 -0.398 0.000 1.121 396 S HN 1.138 nan 8.310 nan 0.000 0.517 397 G N 1.885 110.692 108.800 0.012 0.000 2.504 397 G HA2 0.431 4.391 3.960 -0.000 0.000 0.257 397 G HA3 0.431 4.391 3.960 -0.000 0.000 0.257 397 G C 0.804 175.761 174.900 0.095 0.000 1.451 397 G CA -0.774 44.347 45.100 0.035 0.000 1.059 397 G HN 0.646 nan 8.290 nan 0.000 0.550 398 M N -0.925 118.645 119.600 -0.050 0.000 2.494 398 M HA 0.385 4.865 4.480 -0.000 0.000 0.232 398 M C -0.784 175.572 176.300 0.092 0.000 1.137 398 M CA 0.471 55.780 55.300 0.014 0.000 1.012 398 M CB 0.055 32.447 32.600 -0.345 0.000 1.567 398 M HN 0.061 nan 8.290 nan 0.000 0.486 399 D N 1.132 121.594 120.400 0.105 0.000 2.661 399 D HA 0.405 5.045 4.640 -0.000 0.000 0.228 399 D C -2.982 173.412 176.300 0.157 0.000 1.210 399 D CA -1.264 52.806 54.000 0.117 0.000 0.826 399 D CB 2.333 43.183 40.800 0.083 0.000 1.542 399 D HN -0.134 nan 8.370 nan 0.000 0.447 400 P HA 0.086 nan 4.420 nan 0.000 0.262 400 P C -0.734 176.666 177.300 0.166 0.000 1.199 400 P CA 0.435 63.661 63.100 0.209 0.000 0.763 400 P CB 0.567 32.368 31.700 0.168 0.000 0.790 401 K N 4.278 124.781 120.400 0.171 0.000 2.340 401 K HA 0.521 4.841 4.320 -0.000 0.000 0.244 401 K C -2.385 174.229 176.600 0.024 0.000 0.973 401 K CA -2.247 54.075 56.287 0.058 0.000 0.828 401 K CB 0.574 33.053 32.500 -0.036 0.000 1.226 401 K HN 0.212 nan 8.250 nan 0.000 0.437 402 P HA -0.095 nan 4.420 nan 0.000 0.263 402 P C -0.970 176.257 177.300 -0.122 0.000 1.175 402 P CA -0.200 62.873 63.100 -0.044 0.000 0.761 402 P CB 0.311 31.983 31.700 -0.047 0.000 0.794 403 L N 5.011 126.175 121.223 -0.097 0.000 2.536 403 L HA 0.059 4.399 4.340 -0.000 0.000 0.282 403 L C 0.798 177.585 176.870 -0.137 0.000 1.147 403 L CA 0.649 55.396 54.840 -0.154 0.000 0.936 403 L CB -0.600 41.383 42.059 -0.127 0.000 1.279 403 L HN 0.217 nan 8.230 nan 0.000 0.461 404 R N 5.259 125.625 120.500 -0.224 0.000 3.266 404 R HA 0.296 4.636 4.340 -0.000 0.000 0.224 404 R C -0.482 175.794 176.300 -0.040 0.000 1.525 404 R CA 0.034 56.055 56.100 -0.132 0.000 1.364 404 R CB -0.207 29.890 30.300 -0.339 0.000 1.276 404 R HN 0.521 nan 8.270 nan 0.000 0.660 405 I N 3.514 124.097 120.570 0.022 0.000 2.282 405 I HA 0.143 4.313 4.170 -0.000 0.000 0.290 405 I C -0.075 176.218 176.117 0.295 0.000 1.090 405 I CA -0.596 60.739 61.300 0.058 0.000 1.231 405 I CB 0.125 38.110 38.000 -0.026 0.000 1.434 405 I HN 0.196 nan 8.210 nan 0.000 0.487 406 F N 4.421 124.381 119.950 0.016 0.000 2.506 406 F HA 0.069 4.596 4.527 -0.000 0.000 0.351 406 F C 1.076 176.916 175.800 0.066 0.000 1.136 406 F CA -0.245 57.788 58.000 0.054 0.000 1.298 406 F CB 0.122 39.149 39.000 0.045 0.000 1.145 406 F HN 0.439 nan 8.300 nan 0.000 0.593 407 N N 4.331 123.124 118.700 0.155 0.000 2.469 407 N HA 0.245 4.985 4.740 -0.000 0.000 0.253 407 N C -2.142 173.347 175.510 -0.034 0.000 0.970 407 N CA -2.029 50.980 53.050 -0.067 0.000 0.940 407 N CB 1.676 40.191 38.487 0.047 0.000 1.128 407 N HN 0.089 nan 8.380 nan 0.000 0.503 408 P HA -0.160 nan 4.420 nan 0.000 0.216 408 P C 0.917 178.276 177.300 0.097 0.000 1.157 408 P CA 1.746 64.898 63.100 0.086 0.000 0.880 408 P CB 0.275 32.071 31.700 0.159 0.000 0.791 409 A N -0.965 121.900 122.820 0.075 0.000 1.902 409 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 409 A C 2.359 179.967 177.584 0.040 0.000 1.181 409 A CA 2.223 54.301 52.037 0.068 0.000 0.623 409 A CB -1.511 17.529 19.000 0.066 0.000 0.818 409 A HN 0.137 nan 8.150 nan 0.000 0.443 410 S N -0.383 115.331 115.700 0.024 0.000 2.368 410 S HA -0.152 4.318 4.470 -0.000 0.000 0.224 410 S C 2.163 176.748 174.600 -0.026 0.000 1.029 410 S CA 1.274 59.467 58.200 -0.011 0.000 0.988 410 S CB -0.280 62.909 63.200 -0.019 0.000 0.838 410 S HN 0.591 nan 8.310 nan 0.000 0.462 411 Q N 1.120 120.950 119.800 0.049 0.000 2.050 411 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 411 Q C 2.563 178.662 176.000 0.164 0.000 0.980 411 Q CA 1.528 57.432 55.803 0.168 0.000 0.840 411 Q CB -0.749 28.140 28.738 0.251 0.000 0.898 411 Q HN 0.570 nan 8.270 nan 0.000 0.424 412 A N 1.409 124.302 122.820 0.122 0.000 1.902 412 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 412 A C 2.147 179.765 177.584 0.056 0.000 1.181 412 A CA 1.864 53.970 52.037 0.114 0.000 0.623 412 A CB -0.472 18.590 19.000 0.105 0.000 0.818 412 A HN 0.298 nan 8.150 nan 0.000 0.443 413 K N -0.336 120.067 120.400 0.005 0.000 2.097 413 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 413 K C 2.058 178.596 176.600 -0.103 0.000 1.049 413 K CA 1.660 57.927 56.287 -0.033 0.000 0.933 413 K CB -0.134 32.343 32.500 -0.038 0.000 0.717 413 K HN 0.448 nan 8.250 nan 0.000 0.442 414 K N -0.767 119.491 120.400 -0.238 0.000 2.044 414 K HA -0.055 4.264 4.320 -0.000 0.000 0.204 414 K C 1.411 177.714 176.600 -0.496 0.000 1.049 414 K CA 1.224 57.193 56.287 -0.530 0.000 0.945 414 K CB 0.091 31.952 32.500 -1.066 0.000 0.724 414 K HN 0.103 nan 8.250 nan 0.000 0.440 415 F N -0.490 119.535 119.950 0.124 0.000 2.678 415 F HA 0.157 4.684 4.527 -0.000 0.000 0.305 415 F C 0.218 176.161 175.800 0.238 0.000 1.090 415 F CA -0.229 57.906 58.000 0.226 0.000 1.272 415 F CB 0.603 39.597 39.000 -0.011 0.000 1.060 415 F HN -0.122 nan 8.300 nan 0.000 0.576 416 D N -0.363 120.175 120.400 0.231 0.000 3.256 416 D HA 0.371 5.011 4.640 -0.000 0.000 0.332 416 D C 1.317 177.665 176.300 0.080 0.000 1.327 416 D CA 0.212 54.309 54.000 0.161 0.000 0.735 416 D CB 0.186 41.096 40.800 0.184 0.000 1.280 416 D HN 0.021 nan 8.370 nan 0.000 0.572 417 A N -0.309 122.530 122.820 0.031 0.000 2.042 417 A HA -0.167 4.152 4.320 -0.000 0.000 0.222 417 A C 1.885 179.463 177.584 -0.010 0.000 1.167 417 A CA 2.214 54.246 52.037 -0.008 0.000 0.649 417 A CB -0.521 18.451 19.000 -0.046 0.000 0.809 417 A HN 0.441 nan 8.150 nan 0.000 0.457 418 T N -5.181 109.363 114.554 -0.016 0.000 3.134 418 T HA 0.531 4.881 4.350 -0.000 0.000 0.260 418 T C 0.820 175.504 174.700 -0.025 0.000 1.027 418 T CA 0.911 62.992 62.100 -0.033 0.000 0.913 418 T CB 0.078 68.914 68.868 -0.053 0.000 1.046 418 T HN 1.776 nan 8.240 nan 0.000 0.553 419 A N 0.691 123.520 122.820 0.015 0.000 2.826 419 A HA -0.254 4.066 4.320 -0.000 0.000 0.274 419 A C 1.583 179.182 177.584 0.025 0.000 1.443 419 A CA 1.444 53.500 52.037 0.031 0.000 0.833 419 A CB -2.774 16.219 19.000 -0.010 0.000 1.023 419 A HN 0.567 nan 8.150 nan 0.000 0.600 420 T N -1.717 112.860 114.554 0.039 0.000 2.708 420 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 420 T C 1.513 176.253 174.700 0.066 0.000 1.037 420 T CA 1.986 64.101 62.100 0.025 0.000 1.146 420 T CB -0.282 68.603 68.868 0.028 0.000 0.865 420 T HN 0.794 nan 8.240 nan 0.000 0.435 421 Y N 1.482 121.809 120.300 0.044 0.000 2.200 421 Y HA -0.047 4.503 4.550 -0.000 0.000 0.290 421 Y C 2.035 178.027 175.900 0.154 0.000 1.137 421 Y CA 0.868 59.044 58.100 0.127 0.000 1.163 421 Y CB -0.467 38.090 38.460 0.162 0.000 0.988 421 Y HN 0.161 nan 8.280 nan 0.000 0.518 422 I N 0.296 120.950 120.570 0.141 0.000 2.163 422 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 422 I C 2.290 178.359 176.117 -0.080 0.000 1.085 422 I CA 1.744 63.064 61.300 0.033 0.000 1.347 422 I CB -0.391 37.647 38.000 0.064 0.000 1.044 422 I HN 0.187 nan 8.210 nan 0.000 0.408 423 K N 0.186 120.530 120.400 -0.094 0.000 2.148 423 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 423 K C 2.233 178.708 176.600 -0.208 0.000 1.050 423 K CA 0.815 57.021 56.287 -0.135 0.000 0.942 423 K CB -0.166 32.264 32.500 -0.117 0.000 0.724 423 K HN 0.240 nan 8.250 nan 0.000 0.446 424 R N 0.127 120.447 120.500 -0.299 0.000 2.081 424 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 424 R C 1.224 177.073 176.300 -0.752 0.000 1.131 424 R CA 1.694 57.465 56.100 -0.549 0.000 0.960 424 R CB -0.086 29.811 30.300 -0.672 0.000 0.856 424 R HN 0.270 nan 8.270 nan 0.000 0.436 425 W N -0.156 120.979 121.300 -0.276 0.000 3.114 425 W HA 0.257 4.917 4.660 -0.000 0.000 0.279 425 W C 0.151 176.576 176.519 -0.156 0.000 1.277 425 W CA -0.317 56.888 57.345 -0.234 0.000 1.630 425 W CB 0.580 29.832 29.460 -0.346 0.000 1.087 425 W HN -0.059 nan 8.180 nan 0.000 0.637 426 L N 2.665 123.873 121.223 -0.025 0.000 2.732 426 L HA 0.233 4.573 4.340 -0.000 0.000 0.246 426 L C -1.288 175.536 176.870 -0.077 0.000 1.407 426 L CA -1.300 53.519 54.840 -0.035 0.000 0.861 426 L CB 0.711 42.722 42.059 -0.080 0.000 1.161 426 L HN -0.270 nan 8.230 nan 0.000 0.510 427 P HA -0.244 nan 4.420 nan 0.000 0.218 427 P C 1.006 178.291 177.300 -0.026 0.000 1.146 427 P CA 1.389 64.446 63.100 -0.072 0.000 0.820 427 P CB 0.217 31.870 31.700 -0.078 0.000 0.778 428 E N 0.299 120.494 120.200 -0.007 0.000 2.478 428 E HA -0.087 4.263 4.350 -0.000 0.000 0.198 428 E C 1.482 178.142 176.600 0.101 0.000 1.046 428 E CA 0.619 57.044 56.400 0.041 0.000 0.870 428 E CB -0.694 29.037 29.700 0.052 0.000 0.818 428 E HN 0.374 nan 8.360 nan 0.000 0.527 429 L N 0.375 121.584 121.223 -0.024 0.000 2.910 429 L HA 0.320 4.660 4.340 -0.000 0.000 0.252 429 L C 1.862 178.610 176.870 -0.203 0.000 1.195 429 L CA -0.302 54.438 54.840 -0.167 0.000 1.003 429 L CB 0.197 42.053 42.059 -0.339 0.000 1.328 429 L HN -0.098 nan 8.230 nan 0.000 0.540 430 R N 0.043 120.525 120.500 -0.030 0.000 2.285 430 R HA -0.116 4.224 4.340 -0.000 0.000 0.213 430 R C 1.925 178.208 176.300 -0.029 0.000 1.068 430 R CA 0.980 57.051 56.100 -0.049 0.000 1.004 430 R CB -0.205 30.080 30.300 -0.026 0.000 0.873 430 R HN 0.569 nan 8.270 nan 0.000 0.467 431 H N -1.299 117.734 119.070 -0.062 0.000 2.544 431 H HA 0.131 4.687 4.556 -0.000 0.000 0.269 431 H C 0.492 175.802 175.328 -0.030 0.000 0.970 431 H CA -0.017 56.005 56.048 -0.043 0.000 1.219 431 H CB -0.376 29.367 29.762 -0.031 0.000 1.421 431 H HN -0.139 nan 8.280 nan 0.000 0.555 432 V N 3.079 122.653 119.914 -0.566 0.000 2.686 432 V HA -0.016 4.104 4.120 -0.000 0.000 0.295 432 V C 0.842 176.853 176.094 -0.139 0.000 1.055 432 V CA -0.470 61.616 62.300 -0.355 0.000 1.050 432 V CB 1.264 32.846 31.823 -0.401 0.000 0.984 432 V HN 0.488 nan 8.190 nan 0.000 0.482 433 H N 6.519 125.514 119.070 -0.125 0.000 2.764 433 H HA 0.124 4.680 4.556 -0.000 0.000 0.341 433 H C -1.785 173.497 175.328 -0.077 0.000 1.072 433 H CA -1.630 54.370 56.048 -0.079 0.000 1.444 433 H CB 1.821 31.551 29.762 -0.053 0.000 1.458 433 H HN 0.367 nan 8.280 nan 0.000 0.572 434 P HA -0.228 nan 4.420 nan 0.000 0.216 434 P C 1.562 178.945 177.300 0.138 0.000 1.154 434 P CA 2.032 65.125 63.100 -0.013 0.000 0.865 434 P CB 0.170 31.806 31.700 -0.107 0.000 0.789 435 K N -0.293 120.346 120.400 0.398 0.000 2.052 435 K HA -0.250 4.070 4.320 -0.000 0.000 0.215 435 K C 1.426 178.068 176.600 0.070 0.000 1.053 435 K CA 2.295 58.691 56.287 0.182 0.000 0.934 435 K CB -0.517 31.980 32.500 -0.005 0.000 0.717 435 K HN 0.087 nan 8.250 nan 0.000 0.450 436 D N 0.232 120.670 120.400 0.064 0.000 2.249 436 D HA -0.061 4.579 4.640 -0.000 0.000 0.205 436 D C 1.984 178.281 176.300 -0.004 0.000 0.962 436 D CA 0.638 54.644 54.000 0.010 0.000 0.860 436 D CB 0.035 40.831 40.800 -0.007 0.000 0.955 436 D HN 0.280 nan 8.370 nan 0.000 0.505 437 L N 0.394 121.612 121.223 -0.007 0.000 2.093 437 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 437 L C 2.405 179.279 176.870 0.007 0.000 1.085 437 L CA 0.668 55.488 54.840 -0.033 0.000 0.755 437 L CB -0.157 41.870 42.059 -0.054 0.000 0.904 437 L HN -0.019 nan 8.230 nan 0.000 0.435 438 I N -0.537 120.048 120.570 0.026 0.000 2.286 438 I HA -0.226 3.943 4.170 -0.000 0.000 0.245 438 I C 2.737 178.876 176.117 0.038 0.000 1.104 438 I CA 1.422 62.747 61.300 0.041 0.000 1.397 438 I CB -0.192 37.832 38.000 0.040 0.000 1.072 438 I HN 0.293 nan 8.210 nan 0.000 0.417 439 S N 0.351 116.066 115.700 0.024 0.000 2.428 439 S HA 0.038 4.508 4.470 -0.000 0.000 0.230 439 S C 1.839 176.440 174.600 0.003 0.000 1.014 439 S CA 0.735 58.947 58.200 0.020 0.000 0.957 439 S CB 0.019 63.225 63.200 0.011 0.000 0.784 439 S HN 0.609 nan 8.310 nan 0.000 0.499 440 G N 0.879 109.671 108.800 -0.014 0.000 2.176 440 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.253 440 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.253 440 G C -0.239 174.625 174.900 -0.060 0.000 0.979 440 G CA 0.172 45.234 45.100 -0.063 0.000 0.641 440 G HN 0.622 nan 8.290 nan 0.000 0.530 441 E N 0.583 120.767 120.200 -0.027 0.000 1.986 441 E HA 0.494 4.844 4.350 -0.000 0.000 0.264 441 E C 0.195 176.794 176.600 -0.002 0.000 1.023 441 E CA -0.298 56.094 56.400 -0.014 0.000 0.834 441 E CB 0.683 30.380 29.700 -0.006 0.000 1.111 441 E HN 0.483 nan 8.360 nan 0.000 0.417 442 I N 2.187 122.765 120.570 0.014 0.000 2.377 442 I HA 0.127 4.297 4.170 -0.000 0.000 0.293 442 I C 0.952 177.091 176.117 0.036 0.000 0.987 442 I CA -0.889 60.424 61.300 0.021 0.000 1.185 442 I CB 1.620 39.645 38.000 0.041 0.000 1.341 442 I HN 0.320 nan 8.210 nan 0.000 0.455 443 T N 2.529 117.101 114.554 0.031 0.000 2.930 443 T HA 0.134 4.484 4.350 -0.000 0.000 0.306 443 T C -1.896 172.838 174.700 0.056 0.000 1.045 443 T CA -1.217 60.905 62.100 0.037 0.000 1.134 443 T CB 0.934 69.821 68.868 0.032 0.000 0.961 443 T HN 0.339 nan 8.240 nan 0.000 0.545 444 P HA -0.150 nan 4.420 nan 0.000 0.216 444 P C 1.603 178.943 177.300 0.066 0.000 1.157 444 P CA 1.147 64.281 63.100 0.057 0.000 0.880 444 P CB -0.263 31.462 31.700 0.042 0.000 0.791 445 I N -2.617 117.988 120.570 0.058 0.000 2.493 445 I HA -0.100 4.070 4.170 -0.000 0.000 0.254 445 I C 1.765 177.935 176.117 0.088 0.000 1.160 445 I CA 1.602 62.937 61.300 0.059 0.000 1.445 445 I CB -1.319 36.708 38.000 0.044 0.000 1.086 445 I HN -0.091 nan 8.210 nan 0.000 0.433 446 E N 1.458 121.723 120.200 0.108 0.000 2.299 446 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 446 E C 1.986 178.728 176.600 0.237 0.000 0.998 446 E CA 0.390 56.899 56.400 0.181 0.000 0.851 446 E CB -0.024 29.742 29.700 0.109 0.000 0.795 446 E HN 0.660 nan 8.360 nan 0.000 0.492 447 R N 0.834 121.435 120.500 0.168 0.000 2.307 447 R HA 0.086 4.426 4.340 -0.000 0.000 0.199 447 R C 0.296 176.723 176.300 0.212 0.000 1.000 447 R CA 0.016 56.241 56.100 0.208 0.000 1.023 447 R CB -0.447 30.005 30.300 0.252 0.000 0.908 447 R HN -0.077 nan 8.270 nan 0.000 0.473 448 R N 0.939 121.531 120.500 0.153 0.000 2.828 448 R HA -0.242 4.098 4.340 -0.000 0.000 0.233 448 R C 0.753 177.117 176.300 0.107 0.000 0.821 448 R CA 0.426 56.584 56.100 0.098 0.000 0.563 448 R CB -1.765 28.566 30.300 0.051 0.000 1.117 448 R HN 0.790 nan 8.270 nan 0.000 0.508 449 G N -0.581 108.283 108.800 0.106 0.000 2.308 449 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.221 449 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.221 449 G C 0.044 175.016 174.900 0.120 0.000 1.032 449 G CA 0.076 45.232 45.100 0.093 0.000 0.623 449 G HN 0.508 nan 8.290 nan 0.000 0.506 450 Y N 4.536 124.862 120.300 0.043 0.000 2.810 450 Y HA 0.433 4.983 4.550 -0.000 0.000 0.332 450 Y C -1.692 174.229 175.900 0.036 0.000 1.243 450 Y CA -0.885 57.239 58.100 0.039 0.000 1.537 450 Y CB 0.447 38.931 38.460 0.040 0.000 1.265 450 Y HN 0.213 nan 8.280 nan 0.000 0.572 451 P HA 0.178 nan 4.420 nan 0.000 0.269 451 P C -1.204 175.904 177.300 -0.319 0.000 1.215 451 P CA 0.055 62.943 63.100 -0.355 0.000 0.780 451 P CB 0.608 32.105 31.700 -0.339 0.000 0.898 452 A N 3.791 126.542 122.820 -0.116 0.000 2.304 452 A HA 0.500 4.820 4.320 -0.000 0.000 0.271 452 A C -2.212 175.348 177.584 -0.040 0.000 1.091 452 A CA -1.666 50.343 52.037 -0.046 0.000 0.812 452 A CB -1.089 17.911 19.000 0.001 0.000 1.056 452 A HN 0.412 nan 8.150 nan 0.000 0.489 453 P HA -0.044 nan 4.420 nan 0.000 0.258 453 P C 0.862 178.268 177.300 0.176 0.000 1.172 453 P CA 0.446 63.565 63.100 0.031 0.000 0.762 453 P CB 0.105 31.744 31.700 -0.102 0.000 0.764 454 I N 2.619 123.362 120.570 0.290 0.000 2.830 454 I HA 0.003 4.173 4.170 -0.000 0.000 0.263 454 I C 0.522 176.787 176.117 0.246 0.000 1.230 454 I CA 0.490 61.931 61.300 0.236 0.000 1.480 454 I CB -0.275 37.869 38.000 0.239 0.000 1.095 454 I HN 0.039 nan 8.210 nan 0.000 0.455 455 V N -1.999 118.130 119.914 0.357 0.000 3.216 455 V HA 0.472 4.592 4.120 -0.000 0.000 0.302 455 V C -1.048 175.265 176.094 0.366 0.000 1.286 455 V CA -0.932 61.535 62.300 0.277 0.000 1.048 455 V CB 1.612 33.543 31.823 0.181 0.000 1.081 455 V HN 0.279 nan 8.190 nan 0.000 0.442 456 N N 0.365 119.220 118.700 0.258 0.000 2.437 456 N HA 0.248 4.988 4.740 -0.000 0.000 0.259 456 N C 0.610 176.289 175.510 0.283 0.000 0.983 456 N CA -0.077 53.136 53.050 0.270 0.000 0.937 456 N CB 1.425 40.010 38.487 0.164 0.000 1.122 456 N HN 1.059 nan 8.380 nan 0.000 0.499 457 H N 4.921 124.179 119.070 0.314 0.000 2.265 457 H HA -0.089 4.467 4.556 -0.000 0.000 0.295 457 H C 1.047 176.461 175.328 0.143 0.000 1.084 457 H CA 2.179 58.366 56.048 0.230 0.000 1.261 457 H CB 0.272 30.224 29.762 0.316 0.000 1.360 457 H HN 0.601 nan 8.280 nan 0.000 0.487 458 N N 0.096 118.816 118.700 0.034 0.000 2.104 458 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 458 N C 2.077 177.562 175.510 -0.042 0.000 1.024 458 N CA 1.235 54.255 53.050 -0.050 0.000 0.853 458 N CB -0.531 37.991 38.487 0.059 0.000 1.008 458 N HN 0.354 nan 8.380 nan 0.000 0.424 459 L N 1.694 122.928 121.223 0.018 0.000 2.027 459 L HA -0.038 4.302 4.340 -0.000 0.000 0.206 459 L C 2.071 178.952 176.870 0.018 0.000 1.074 459 L CA 1.579 56.436 54.840 0.028 0.000 0.745 459 L CB -0.357 41.735 42.059 0.054 0.000 0.898 459 L HN -0.035 nan 8.230 nan 0.000 0.433 460 R N -0.337 120.168 120.500 0.008 0.000 2.096 460 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 460 R C 2.183 178.494 176.300 0.018 0.000 1.127 460 R CA 1.537 57.648 56.100 0.019 0.000 0.968 460 R CB -0.890 29.407 30.300 -0.005 0.000 0.861 460 R HN 0.637 nan 8.270 nan 0.000 0.440 461 Q N 1.142 120.880 119.800 -0.104 0.000 2.084 461 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 461 Q C 1.633 177.663 176.000 0.051 0.000 0.978 461 Q CA 1.577 57.328 55.803 -0.088 0.000 0.844 461 Q CB 0.136 28.721 28.738 -0.256 0.000 0.898 461 Q HN 0.277 nan 8.270 nan 0.000 0.426 462 K N -0.084 120.333 120.400 0.029 0.000 2.057 462 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 462 K C 2.218 178.867 176.600 0.082 0.000 1.050 462 K CA 1.529 57.850 56.287 0.056 0.000 0.935 462 K CB -0.042 32.478 32.500 0.033 0.000 0.715 462 K HN 0.312 nan 8.250 nan 0.000 0.439 463 Q N -0.178 119.671 119.800 0.082 0.000 2.124 463 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 463 Q C 1.970 178.040 176.000 0.117 0.000 0.977 463 Q CA 1.362 57.211 55.803 0.077 0.000 0.850 463 Q CB -0.150 28.630 28.738 0.069 0.000 0.901 463 Q HN 0.262 nan 8.270 nan 0.000 0.429 464 F N 1.683 121.666 119.950 0.056 0.000 2.128 464 F HA -0.114 4.413 4.527 -0.000 0.000 0.295 464 F C 1.935 177.831 175.800 0.159 0.000 1.100 464 F CA 1.307 59.385 58.000 0.130 0.000 1.260 464 F CB 0.109 39.171 39.000 0.102 0.000 1.009 464 F HN -0.177 nan 8.300 nan 0.000 0.476 465 K N 0.218 120.831 120.400 0.355 0.000 2.103 465 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 465 K C 2.285 178.978 176.600 0.154 0.000 1.048 465 K CA 1.180 57.636 56.287 0.282 0.000 0.930 465 K CB -0.548 32.080 32.500 0.212 0.000 0.716 465 K HN 0.358 nan 8.250 nan 0.000 0.444 466 A N 1.660 124.522 122.820 0.070 0.000 1.858 466 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 466 A C 2.154 179.691 177.584 -0.079 0.000 1.190 466 A CA 1.303 53.337 52.037 -0.004 0.000 0.617 466 A CB -0.756 18.234 19.000 -0.017 0.000 0.827 466 A HN 0.158 nan 8.150 nan 0.000 0.443 467 L N -2.028 119.109 121.223 -0.143 0.000 2.043 467 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 467 L C 2.612 179.305 176.870 -0.296 0.000 1.075 467 L CA 2.065 56.714 54.840 -0.318 0.000 0.752 467 L CB -0.763 40.989 42.059 -0.513 0.000 0.891 467 L HN 0.606 nan 8.230 nan 0.000 0.432 468 Y N 1.555 121.688 120.300 -0.279 0.000 2.060 468 Y HA -0.281 4.269 4.550 -0.000 0.000 0.276 468 Y C 2.642 178.437 175.900 -0.174 0.000 1.127 468 Y CA 1.798 59.785 58.100 -0.188 0.000 1.104 468 Y CB -0.587 37.826 38.460 -0.078 0.000 0.983 468 Y HN 0.182 nan 8.280 nan 0.000 0.483 469 N N 0.555 119.152 118.700 -0.171 0.000 2.091 469 N HA -0.285 4.455 4.740 -0.000 0.000 0.193 469 N C 1.936 177.293 175.510 -0.254 0.000 1.021 469 N CA 1.816 54.716 53.050 -0.250 0.000 0.862 469 N CB -0.677 37.770 38.487 -0.066 0.000 1.018 469 N HN 0.622 nan 8.380 nan 0.000 0.429 470 Q N 0.235 119.910 119.800 -0.208 0.000 2.096 470 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 470 Q C 2.070 177.923 176.000 -0.245 0.000 0.982 470 Q CA 1.146 56.828 55.803 -0.201 0.000 0.850 470 Q CB -0.077 28.547 28.738 -0.191 0.000 0.901 470 Q HN 0.232 nan 8.270 nan 0.000 0.422 471 L N 0.901 121.933 121.223 -0.317 0.000 2.109 471 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 471 L C 2.259 178.932 176.870 -0.328 0.000 1.086 471 L CA 1.794 56.438 54.840 -0.327 0.000 0.760 471 L CB -0.463 41.362 42.059 -0.390 0.000 0.910 471 L HN 0.107 nan 8.230 nan 0.000 0.437 472 K N -0.588 119.551 120.400 -0.434 0.000 2.063 472 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 472 K C 1.914 178.361 176.600 -0.255 0.000 1.048 472 K CA 1.434 57.475 56.287 -0.410 0.000 0.928 472 K CB -0.164 31.995 32.500 -0.569 0.000 0.713 472 K HN 0.449 nan 8.250 nan 0.000 0.442 473 A N 1.080 123.766 122.820 -0.224 0.000 1.855 473 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 473 A C 2.005 179.507 177.584 -0.137 0.000 1.191 473 A CA 1.490 53.435 52.037 -0.154 0.000 0.613 473 A CB -0.645 18.275 19.000 -0.133 0.000 0.829 473 A HN 0.409 nan 8.150 nan 0.000 0.442 474 A N -1.204 121.525 122.820 -0.152 0.000 2.233 474 A HA 0.448 4.768 4.320 -0.000 0.000 0.230 474 A C 0.484 177.991 177.584 -0.130 0.000 1.347 474 A CA 0.180 52.138 52.037 -0.131 0.000 1.087 474 A CB -0.877 18.039 19.000 -0.140 0.000 0.871 474 A HN 0.417 nan 8.150 nan 0.000 0.519 475 I N 0.000 120.492 120.570 -0.129 0.000 2.984 475 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 475 I CA 0.000 61.231 61.300 -0.115 0.000 1.566 475 I CB 0.000 37.917 38.000 -0.139 0.000 1.214 475 I HN 0.000 nan 8.210 nan 0.000 0.494