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 2wyn_1_B DATA FIRST_RESID 32 DATA SEQUENCE ETPVTPQPPD ILLGPLFNDV QNAKLFPDQK TFADAVPNSD PLMILADYRM DATA SEQUENCE QQNQSGFDLR HFVNVNFTLP KXXXXYVPPE GQSLREHIDG LWPVLTRSTE DATA SEQUENCE NTEKWDSLLP LPEPYVVPGG RFREVYYWDS YFTMLGLAES GHWDKVADMV DATA SEQUENCE ANFAHEIDTY GHIPNGNRSY YLSRSQPPFF ALMVELLAQH EGDAALKQYL DATA SEQUENCE PQMQKEYAYW MDGVENLQAG QQEKRVVKLQ DGTLLNRYWD DRDTPRPESW DATA SEQUENCE VEDIATAKSN PNRPATEIYR DLRSAAASGW DFSSRWMDNP QQLNTLRTTS DATA SEQUENCE IVPVDLNSLM FKMEKILARA SKAAGDNAMA NQYETLANAR QKGIEKYLWN DATA SEQUENCE DQQGWYADYD LKSHKVRNQL TAAALFPLYV NAAAKDRANK MATATKTHLL DATA SEQUENCE QPGGLNTTSV KSGQQWDAPN GWAPLQWVAT EGLQNYGQKE VAMDISWHFL DATA SEQUENCE TNVQHTYDRE KKLVEKYDVS TTXXXXXXXX YPLQDGFGWT NGVTLKMLDL DATA SEQUENCE IcPKEQPcDN VPATR 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 32 E HA 0.000 nan 4.350 nan 0.000 0.291 32 E C 0.000 176.584 176.600 -0.027 0.000 1.382 32 E CA 0.000 56.390 56.400 -0.017 0.000 0.976 32 E CB 0.000 29.694 29.700 -0.010 0.000 0.812 33 T N 3.596 118.133 114.554 -0.028 0.000 2.853 33 T HA 0.159 4.509 4.350 -0.000 0.000 0.298 33 T C -1.826 172.847 174.700 -0.045 0.000 0.978 33 T CA -0.911 61.166 62.100 -0.038 0.000 1.152 33 T CB -0.291 68.556 68.868 -0.035 0.000 0.914 33 T HN 0.213 nan 8.240 nan 0.000 0.539 34 P HA 0.153 nan 4.420 nan 0.000 0.265 34 P C -0.549 176.709 177.300 -0.071 0.000 1.193 34 P CA -0.286 62.760 63.100 -0.091 0.000 0.765 34 P CB 0.396 32.014 31.700 -0.137 0.000 0.823 35 V N 2.791 122.669 119.914 -0.060 0.000 2.644 35 V HA 0.209 4.329 4.120 -0.000 0.000 0.295 35 V C 1.332 177.400 176.094 -0.043 0.000 1.053 35 V CA -0.441 61.839 62.300 -0.032 0.000 0.987 35 V CB 1.140 32.960 31.823 -0.004 0.000 1.006 35 V HN 0.831 nan 8.190 nan 0.000 0.472 36 T N 4.316 118.862 114.554 -0.013 0.000 2.940 36 T HA 0.204 4.554 4.350 -0.000 0.000 0.309 36 T C -1.804 172.890 174.700 -0.009 0.000 1.056 36 T CA -0.945 61.148 62.100 -0.012 0.000 1.137 36 T CB 0.843 69.735 68.868 0.039 0.000 0.976 36 T HN 0.636 nan 8.240 nan 0.000 0.547 37 P HA 0.176 nan 4.420 nan 0.000 0.271 37 P C -0.176 177.131 177.300 0.011 0.000 1.218 37 P CA -0.433 62.693 63.100 0.043 0.000 0.780 37 P CB 0.524 32.269 31.700 0.075 0.000 0.901 38 Q N 2.624 122.441 119.800 0.027 0.000 2.540 38 Q HA 0.154 4.494 4.340 -0.000 0.000 0.256 38 Q C -1.908 174.067 176.000 -0.041 0.000 1.084 38 Q CA -0.565 55.234 55.803 -0.006 0.000 0.956 38 Q CB -1.034 27.707 28.738 0.004 0.000 1.303 38 Q HN 0.386 nan 8.270 nan 0.000 0.509 39 P HA -0.039 nan 4.420 nan 0.000 0.268 39 P C -2.142 175.031 177.300 -0.211 0.000 1.208 39 P CA -0.837 62.202 63.100 -0.102 0.000 0.777 39 P CB 0.130 31.787 31.700 -0.072 0.000 0.875 40 P HA -0.205 nan 4.420 nan 0.000 0.216 40 P C 1.105 177.913 177.300 -0.819 0.000 1.150 40 P CA 1.542 64.297 63.100 -0.576 0.000 0.837 40 P CB -0.265 30.960 31.700 -0.791 0.000 0.786 41 D N -0.502 119.263 120.400 -1.058 0.000 2.144 41 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 41 D C 1.738 177.908 176.300 -0.216 0.000 0.984 41 D CA 1.233 54.825 54.000 -0.680 0.000 0.834 41 D CB -0.829 39.691 40.800 -0.466 0.000 0.955 41 D HN 0.098 nan 8.370 nan 0.000 0.465 42 I N 0.836 121.313 120.570 -0.155 0.000 2.286 42 I HA -0.095 4.075 4.170 -0.000 0.000 0.245 42 I C 2.806 178.900 176.117 -0.038 0.000 1.104 42 I CA 0.330 61.601 61.300 -0.049 0.000 1.397 42 I CB -0.959 37.025 38.000 -0.027 0.000 1.072 42 I HN 0.070 nan 8.210 nan 0.000 0.417 43 L N 0.142 121.325 121.223 -0.066 0.000 2.046 43 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 43 L C 2.320 179.183 176.870 -0.012 0.000 1.077 43 L CA 1.534 56.358 54.840 -0.027 0.000 0.747 43 L CB -0.129 41.918 42.059 -0.020 0.000 0.896 43 L HN 0.228 nan 8.230 nan 0.000 0.432 44 L N -1.685 119.537 121.223 -0.002 0.000 2.554 44 L HA 0.241 4.581 4.340 -0.000 0.000 0.225 44 L C 1.263 178.183 176.870 0.083 0.000 1.104 44 L CA 0.307 55.194 54.840 0.078 0.000 0.866 44 L CB -0.205 41.961 42.059 0.177 0.000 1.047 44 L HN 0.418 nan 8.230 nan 0.000 0.468 45 G N 1.217 110.051 108.800 0.056 0.000 2.562 45 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.250 45 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.250 45 G C -2.008 172.953 174.900 0.100 0.000 1.269 45 G CA -0.085 45.062 45.100 0.078 0.000 0.919 45 G HN 0.106 nan 8.290 nan 0.000 0.574 46 P HA 0.042 nan 4.420 nan 0.000 0.225 46 P C 2.148 179.500 177.300 0.086 0.000 1.148 46 P CA 1.055 64.233 63.100 0.130 0.000 0.779 46 P CB -0.007 31.783 31.700 0.150 0.000 0.780 47 L N -1.109 120.129 121.223 0.024 0.000 2.043 47 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 47 L C 2.122 178.909 176.870 -0.137 0.000 1.075 47 L CA 1.809 56.490 54.840 -0.266 0.000 0.752 47 L CB -1.414 40.418 42.059 -0.379 0.000 0.891 47 L HN -0.114 nan 8.230 nan 0.000 0.432 48 F N 0.765 120.636 119.950 -0.132 0.000 2.069 48 F HA -0.299 4.228 4.527 -0.000 0.000 0.298 48 F C 2.459 178.030 175.800 -0.381 0.000 1.113 48 F CA 2.186 60.087 58.000 -0.166 0.000 1.214 48 F CB -0.626 38.204 39.000 -0.282 0.000 0.978 48 F HN 0.417 nan 8.300 nan 0.000 0.474 49 N N 0.271 118.778 118.700 -0.321 0.000 2.061 49 N HA -0.235 4.505 4.740 -0.000 0.000 0.193 49 N C 1.521 176.934 175.510 -0.162 0.000 1.030 49 N CA 2.168 55.062 53.050 -0.260 0.000 0.856 49 N CB -0.476 38.130 38.487 0.199 0.000 1.023 49 N HN 0.253 nan 8.380 nan 0.000 0.424 50 D N -0.488 119.844 120.400 -0.114 0.000 2.104 50 D HA -0.119 4.521 4.640 -0.000 0.000 0.194 50 D C 2.045 178.207 176.300 -0.230 0.000 0.994 50 D CA 1.022 54.969 54.000 -0.089 0.000 0.830 50 D CB -0.518 40.289 40.800 0.011 0.000 0.959 50 D HN 0.157 nan 8.370 nan 0.000 0.452 51 V N 1.173 120.829 119.914 -0.430 0.000 2.427 51 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 51 V C 2.486 178.262 176.094 -0.530 0.000 1.051 51 V CA 1.344 63.275 62.300 -0.616 0.000 1.048 51 V CB -0.349 30.759 31.823 -1.193 0.000 0.666 51 V HN 0.174 nan 8.190 nan 0.000 0.456 52 Q N 0.040 119.515 119.800 -0.541 0.000 2.046 52 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 52 Q C 2.192 178.128 176.000 -0.107 0.000 0.975 52 Q CA 1.287 56.885 55.803 -0.341 0.000 0.836 52 Q CB -0.622 27.832 28.738 -0.472 0.000 0.896 52 Q HN 0.617 nan 8.270 nan 0.000 0.428 53 N N 1.130 119.805 118.700 -0.041 0.000 2.149 53 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 53 N C 1.568 177.056 175.510 -0.036 0.000 1.019 53 N CA 1.361 54.428 53.050 0.028 0.000 0.857 53 N CB -0.298 38.231 38.487 0.070 0.000 0.997 53 N HN 0.256 nan 8.380 nan 0.000 0.426 54 A N 0.739 123.497 122.820 -0.104 0.000 2.121 54 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 54 A C 0.664 178.156 177.584 -0.152 0.000 1.154 54 A CA 0.467 52.428 52.037 -0.126 0.000 0.679 54 A CB -0.331 18.565 19.000 -0.173 0.000 0.795 54 A HN 0.328 nan 8.150 nan 0.000 0.458 55 K N -1.201 119.105 120.400 -0.157 0.000 3.148 55 K HA -0.194 4.126 4.320 -0.000 0.000 0.267 55 K C 0.463 176.914 176.600 -0.248 0.000 0.996 55 K CA 0.572 56.775 56.287 -0.139 0.000 0.737 55 K CB -1.942 30.521 32.500 -0.062 0.000 1.308 55 K HN 0.575 nan 8.250 nan 0.000 0.470 56 L N -0.728 120.219 121.223 -0.459 0.000 2.131 56 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 56 L C 0.902 177.241 176.870 -0.886 0.000 1.092 56 L CA 1.253 55.643 54.840 -0.751 0.000 0.759 56 L CB -0.219 41.154 42.059 -1.143 0.000 0.903 56 L HN 0.135 nan 8.230 nan 0.000 0.435 57 F N -0.972 118.931 119.950 -0.080 0.000 2.508 57 F HA 0.352 4.879 4.527 -0.000 0.000 0.325 57 F C -1.282 174.512 175.800 -0.011 0.000 1.090 57 F CA -2.554 55.427 58.000 -0.032 0.000 0.945 57 F CB -0.002 38.990 39.000 -0.013 0.000 1.156 57 F HN -0.289 nan 8.300 nan 0.000 0.463 58 P HA -0.096 nan 4.420 nan 0.000 0.226 58 P C -0.240 177.135 177.300 0.124 0.000 1.153 58 P CA 1.068 64.234 63.100 0.108 0.000 0.777 58 P CB 0.404 32.159 31.700 0.092 0.000 0.794 59 D N -0.164 120.325 120.400 0.148 0.000 2.308 59 D HA 0.079 4.719 4.640 -0.000 0.000 0.242 59 D C 1.121 177.504 176.300 0.138 0.000 1.059 59 D CA -0.439 53.638 54.000 0.128 0.000 0.830 59 D CB 1.315 42.165 40.800 0.084 0.000 1.161 59 D HN -0.233 nan 8.370 nan 0.000 0.494 60 Q N 2.537 122.417 119.800 0.134 0.000 2.291 60 Q HA -0.154 4.186 4.340 -0.000 0.000 0.206 60 Q C 1.322 177.383 176.000 0.101 0.000 0.976 60 Q CA 0.845 56.727 55.803 0.131 0.000 0.875 60 Q CB 0.149 28.982 28.738 0.159 0.000 0.927 60 Q HN 0.540 nan 8.270 nan 0.000 0.450 61 K N 0.145 120.585 120.400 0.066 0.000 2.288 61 K HA -0.057 4.263 4.320 -0.000 0.000 0.201 61 K C 1.799 178.405 176.600 0.011 0.000 1.048 61 K CA 0.995 57.289 56.287 0.011 0.000 0.956 61 K CB 0.247 32.745 32.500 -0.002 0.000 0.746 61 K HN 0.031 nan 8.250 nan 0.000 0.461 62 T N 0.703 115.268 114.554 0.018 0.000 2.652 62 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 62 T C 1.294 175.950 174.700 -0.073 0.000 1.039 62 T CA 1.498 63.561 62.100 -0.062 0.000 1.153 62 T CB -0.342 68.455 68.868 -0.119 0.000 0.863 62 T HN 0.242 nan 8.240 nan 0.000 0.428 63 F N 1.804 121.672 119.950 -0.138 0.000 2.259 63 F HA 0.226 4.753 4.527 -0.000 0.000 0.298 63 F C 2.380 178.200 175.800 0.032 0.000 1.088 63 F CA 0.294 58.218 58.000 -0.127 0.000 1.358 63 F CB -0.649 38.288 39.000 -0.105 0.000 1.040 63 F HN 0.131 nan 8.300 nan 0.000 0.505 64 A N -0.566 122.293 122.820 0.066 0.000 2.076 64 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 64 A C 1.459 179.062 177.584 0.032 0.000 1.160 64 A CA 1.960 54.013 52.037 0.026 0.000 0.653 64 A CB -0.671 18.173 19.000 -0.260 0.000 0.801 64 A HN 0.364 nan 8.150 nan 0.000 0.455 65 D N -0.383 120.018 120.400 0.002 0.000 2.368 65 D HA 0.376 5.016 4.640 -0.000 0.000 0.218 65 D C 0.460 176.727 176.300 -0.056 0.000 1.112 65 D CA 0.516 54.531 54.000 0.024 0.000 0.834 65 D CB 0.060 40.887 40.800 0.045 0.000 0.953 65 D HN 0.412 nan 8.370 nan 0.000 0.505 66 A N 0.517 123.234 122.820 -0.170 0.000 2.440 66 A HA 0.348 4.668 4.320 -0.000 0.000 0.251 66 A C 0.311 177.906 177.584 0.018 0.000 1.089 66 A CA -0.250 51.709 52.037 -0.130 0.000 0.779 66 A CB 0.625 19.381 19.000 -0.408 0.000 1.022 66 A HN 0.009 nan 8.150 nan 0.000 0.492 67 V N 5.336 125.306 119.914 0.093 0.000 2.364 67 V HA 0.274 4.394 4.120 -0.000 0.000 0.272 67 V C -2.219 173.941 176.094 0.111 0.000 1.036 67 V CA -1.493 60.866 62.300 0.098 0.000 0.880 67 V CB 1.102 32.957 31.823 0.054 0.000 0.991 67 V HN 0.754 nan 8.190 nan 0.000 0.460 68 P HA 0.213 nan 4.420 nan 0.000 0.271 68 P C 0.199 177.385 177.300 -0.190 0.000 1.216 68 P CA -0.124 62.817 63.100 -0.265 0.000 0.771 68 P CB 0.573 32.155 31.700 -0.196 0.000 0.864 69 N N -0.034 118.465 118.700 -0.335 0.000 2.463 69 N HA 0.000 4.740 4.740 -0.000 0.000 0.181 69 N C 0.508 175.942 175.510 -0.126 0.000 1.078 69 N CA 0.529 53.477 53.050 -0.171 0.000 0.902 69 N CB 0.004 38.379 38.487 -0.187 0.000 0.970 69 N HN 0.509 nan 8.380 nan 0.000 0.451 70 S N -1.543 114.021 115.700 -0.227 0.000 2.790 70 S HA 0.207 4.677 4.470 -0.000 0.000 0.292 70 S C -1.196 173.051 174.600 -0.589 0.000 1.197 70 S CA -0.964 57.107 58.200 -0.216 0.000 0.851 70 S CB 1.523 64.604 63.200 -0.199 0.000 1.217 70 S HN -0.100 nan 8.310 nan 0.000 0.526 71 D N 1.821 121.738 120.400 -0.805 0.000 2.412 71 D HA 0.298 4.938 4.640 -0.000 0.000 0.257 71 D C -1.592 174.223 176.300 -0.809 0.000 1.217 71 D CA -1.643 51.544 54.000 -1.356 0.000 0.897 71 D CB 0.998 41.368 40.800 -0.717 0.000 1.132 71 D HN 0.124 nan 8.370 nan 0.000 0.493 72 P HA -0.153 nan 4.420 nan 0.000 0.218 72 P C 1.638 178.806 177.300 -0.220 0.000 1.146 72 P CA 0.647 63.515 63.100 -0.387 0.000 0.813 72 P CB 0.182 31.691 31.700 -0.319 0.000 0.778 73 L N -1.885 119.186 121.223 -0.254 0.000 2.046 73 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 73 L C 2.126 178.950 176.870 -0.076 0.000 1.077 73 L CA 1.688 56.459 54.840 -0.115 0.000 0.747 73 L CB -0.431 41.574 42.059 -0.089 0.000 0.896 73 L HN -0.084 nan 8.230 nan 0.000 0.432 74 M N -0.751 118.776 119.600 -0.122 0.000 2.200 74 M HA -0.121 4.359 4.480 -0.000 0.000 0.265 74 M C 2.316 178.609 176.300 -0.012 0.000 1.066 74 M CA 1.531 56.792 55.300 -0.065 0.000 1.127 74 M CB -0.776 31.768 32.600 -0.093 0.000 1.379 74 M HN 0.295 nan 8.290 nan 0.000 0.420 75 I N 0.244 120.785 120.570 -0.048 0.000 2.226 75 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 75 I C 2.520 178.791 176.117 0.257 0.000 1.100 75 I CA 1.044 62.395 61.300 0.085 0.000 1.374 75 I CB -0.432 37.553 38.000 -0.026 0.000 1.057 75 I HN 0.242 nan 8.210 nan 0.000 0.413 76 L N 0.672 121.989 121.223 0.157 0.000 2.042 76 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 76 L C 2.756 179.730 176.870 0.173 0.000 1.076 76 L CA 1.880 56.833 54.840 0.190 0.000 0.749 76 L CB -0.406 41.720 42.059 0.113 0.000 0.893 76 L HN 0.281 nan 8.230 nan 0.000 0.432 77 A N -0.555 122.329 122.820 0.106 0.000 1.898 77 A HA -0.282 4.038 4.320 -0.000 0.000 0.216 77 A C 1.947 179.580 177.584 0.081 0.000 1.181 77 A CA 1.848 53.925 52.037 0.066 0.000 0.620 77 A CB -0.708 18.314 19.000 0.037 0.000 0.819 77 A HN 0.503 nan 8.150 nan 0.000 0.442 78 D N -1.600 118.891 120.400 0.152 0.000 2.123 78 D HA -0.212 4.428 4.640 -0.000 0.000 0.196 78 D C 1.710 178.131 176.300 0.201 0.000 0.992 78 D CA 1.613 55.745 54.000 0.220 0.000 0.833 78 D CB -0.361 40.635 40.800 0.326 0.000 0.954 78 D HN 0.476 nan 8.370 nan 0.000 0.455 79 Y N 1.201 121.508 120.300 0.011 0.000 2.128 79 Y HA -0.157 4.393 4.550 -0.000 0.000 0.284 79 Y C 2.174 177.811 175.900 -0.439 0.000 1.154 79 Y CA 1.592 59.392 58.100 -0.500 0.000 1.149 79 Y CB -0.220 38.002 38.460 -0.396 0.000 0.976 79 Y HN -0.137 nan 8.280 nan 0.000 0.505 80 R N -0.069 120.263 120.500 -0.279 0.000 2.075 80 R HA -0.178 4.162 4.340 -0.000 0.000 0.232 80 R C 2.512 178.620 176.300 -0.320 0.000 1.126 80 R CA 1.596 57.478 56.100 -0.363 0.000 0.963 80 R CB -1.169 29.039 30.300 -0.153 0.000 0.858 80 R HN 0.474 nan 8.270 nan 0.000 0.435 81 M N 0.935 120.425 119.600 -0.182 0.000 2.067 81 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 81 M C 1.692 177.888 176.300 -0.174 0.000 1.069 81 M CA 1.833 57.057 55.300 -0.127 0.000 1.117 81 M CB -0.262 32.316 32.600 -0.038 0.000 1.334 81 M HN 0.138 nan 8.290 nan 0.000 0.407 82 Q N -0.378 119.300 119.800 -0.203 0.000 2.230 82 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 82 Q C 1.952 177.692 176.000 -0.434 0.000 0.963 82 Q CA 1.181 56.887 55.803 -0.162 0.000 0.866 82 Q CB -0.136 28.650 28.738 0.080 0.000 0.931 82 Q HN 0.665 nan 8.270 nan 0.000 0.452 83 Q N 0.457 119.747 119.800 -0.850 0.000 2.234 83 Q HA -0.091 4.249 4.340 -0.000 0.000 0.206 83 Q C 0.909 176.673 176.000 -0.393 0.000 0.980 83 Q CA 0.657 55.932 55.803 -0.881 0.000 0.869 83 Q CB 0.074 28.234 28.738 -0.963 0.000 0.912 83 Q HN 0.362 nan 8.270 nan 0.000 0.436 84 N N 0.875 119.401 118.700 -0.291 0.000 2.375 84 N HA 0.028 4.768 4.740 -0.000 0.000 0.220 84 N C -0.596 174.861 175.510 -0.088 0.000 1.170 84 N CA 0.387 53.340 53.050 -0.161 0.000 0.833 84 N CB 0.452 38.857 38.487 -0.138 0.000 1.069 84 N HN 0.287 nan 8.380 nan 0.000 0.479 85 Q N -0.897 118.865 119.800 -0.063 0.000 2.484 85 Q HA 0.342 4.682 4.340 -0.000 0.000 0.285 85 Q C -0.690 175.338 176.000 0.045 0.000 1.097 85 Q CA -0.538 55.268 55.803 0.004 0.000 0.802 85 Q CB 1.969 30.728 28.738 0.034 0.000 1.444 85 Q HN -0.077 nan 8.270 nan 0.000 0.429 86 S N -0.078 115.647 115.700 0.042 0.000 2.572 86 S HA 0.363 4.833 4.470 -0.000 0.000 0.279 86 S C 0.660 175.303 174.600 0.073 0.000 1.341 86 S CA 1.045 59.273 58.200 0.046 0.000 1.043 86 S CB 0.242 63.459 63.200 0.028 0.000 0.887 86 S HN 0.894 nan 8.310 nan 0.000 0.516 87 G N 2.855 111.695 108.800 0.067 0.000 2.249 87 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.273 87 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.273 87 G C -0.044 174.911 174.900 0.091 0.000 1.036 87 G CA 0.185 45.319 45.100 0.057 0.000 0.824 87 G HN 0.710 nan 8.290 nan 0.000 0.504 88 F N 0.976 120.930 119.950 0.008 0.000 2.538 88 F HA 0.465 4.992 4.527 -0.000 0.000 0.371 88 F C 0.391 176.220 175.800 0.048 0.000 1.087 88 F CA -0.098 57.918 58.000 0.027 0.000 1.250 88 F CB 0.833 39.817 39.000 -0.027 0.000 1.110 88 F HN 0.126 nan 8.300 nan 0.000 0.570 89 D N 6.071 125.976 120.400 -0.826 0.000 2.440 89 D HA 0.149 4.789 4.640 -0.000 0.000 0.239 89 D C 0.525 176.330 176.300 -0.826 0.000 1.084 89 D CA -0.572 53.065 54.000 -0.604 0.000 0.843 89 D CB 1.364 42.027 40.800 -0.229 0.000 1.097 89 D HN 0.560 nan 8.370 nan 0.000 0.531 90 L N 4.888 125.784 121.223 -0.545 0.000 2.012 90 L HA -0.022 4.318 4.340 -0.000 0.000 0.210 90 L C 2.134 178.960 176.870 -0.073 0.000 1.073 90 L CA 1.814 56.539 54.840 -0.191 0.000 0.748 90 L CB -0.446 41.631 42.059 0.030 0.000 0.891 90 L HN 0.551 nan 8.230 nan 0.000 0.431 91 R N -1.791 118.644 120.500 -0.110 0.000 2.081 91 R HA -0.257 4.083 4.340 -0.000 0.000 0.235 91 R C 2.479 178.796 176.300 0.028 0.000 1.131 91 R CA 1.712 57.766 56.100 -0.077 0.000 0.960 91 R CB -0.468 29.768 30.300 -0.106 0.000 0.856 91 R HN 0.632 nan 8.270 nan 0.000 0.436 92 H N -0.358 118.678 119.070 -0.058 0.000 2.321 92 H HA -0.186 4.370 4.556 -0.000 0.000 0.300 92 H C 1.707 177.075 175.328 0.067 0.000 1.087 92 H CA 2.231 58.272 56.048 -0.011 0.000 1.319 92 H CB -0.544 29.189 29.762 -0.048 0.000 1.379 92 H HN 0.270 nan 8.280 nan 0.000 0.501 93 F N 0.216 120.062 119.950 -0.174 0.000 2.120 93 F HA -0.224 4.303 4.527 -0.000 0.000 0.300 93 F C 2.293 178.135 175.800 0.070 0.000 1.095 93 F CA 1.708 59.683 58.000 -0.042 0.000 1.249 93 F CB -0.551 38.582 39.000 0.221 0.000 0.995 93 F HN 0.097 nan 8.300 nan 0.000 0.480 94 V N 0.622 120.674 119.914 0.230 0.000 2.358 94 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 94 V C 2.130 178.368 176.094 0.241 0.000 1.047 94 V CA 2.049 64.514 62.300 0.276 0.000 1.035 94 V CB -0.852 31.026 31.823 0.092 0.000 0.658 94 V HN 0.341 nan 8.190 nan 0.000 0.452 95 N N 0.307 119.073 118.700 0.110 0.000 2.104 95 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 95 N C 1.685 177.194 175.510 -0.002 0.000 1.024 95 N CA 1.450 54.552 53.050 0.086 0.000 0.853 95 N CB -0.544 37.984 38.487 0.069 0.000 1.008 95 N HN 0.372 nan 8.380 nan 0.000 0.424 96 V N 1.243 121.062 119.914 -0.158 0.000 2.407 96 V HA -0.055 4.065 4.120 -0.000 0.000 0.245 96 V C 1.588 177.547 176.094 -0.225 0.000 1.041 96 V CA 1.211 63.377 62.300 -0.224 0.000 1.040 96 V CB -0.262 31.333 31.823 -0.381 0.000 0.671 96 V HN 0.357 nan 8.190 nan 0.000 0.455 97 N N -1.176 117.356 118.700 -0.280 0.000 2.353 97 N HA 0.160 4.900 4.740 -0.000 0.000 0.185 97 N C -0.313 174.804 175.510 -0.654 0.000 1.098 97 N CA 0.364 53.120 53.050 -0.490 0.000 0.872 97 N CB 0.577 38.621 38.487 -0.738 0.000 0.970 97 N HN 0.387 nan 8.380 nan 0.000 0.467 98 F N -0.313 119.613 119.950 -0.040 0.000 2.588 98 F HA 0.308 4.835 4.527 -0.000 0.000 0.310 98 F C 0.077 175.882 175.800 0.009 0.000 1.082 98 F CA -0.824 57.187 58.000 0.019 0.000 0.929 98 F CB 1.884 40.971 39.000 0.145 0.000 1.254 98 F HN -0.407 nan 8.300 nan 0.000 0.455 99 T N 3.977 118.624 114.554 0.155 0.000 2.758 99 T HA 0.538 4.887 4.350 -0.000 0.000 0.285 99 T C -0.065 174.672 174.700 0.061 0.000 0.981 99 T CA -0.556 61.593 62.100 0.080 0.000 0.965 99 T CB 0.568 69.458 68.868 0.037 0.000 0.927 99 T HN 0.288 nan 8.240 nan 0.000 0.448 100 L N 4.890 126.123 121.223 0.017 0.000 2.453 100 L HA 0.369 4.709 4.340 -0.000 0.000 0.261 100 L C -1.527 175.318 176.870 -0.042 0.000 1.179 100 L CA -1.989 52.814 54.840 -0.061 0.000 0.813 100 L CB -0.018 41.954 42.059 -0.144 0.000 1.110 100 L HN 0.381 nan 8.230 nan 0.000 0.466 101 P HA 0.106 nan 4.420 nan 0.000 0.272 101 P C -0.894 176.393 177.300 -0.021 0.000 1.223 101 P CA -0.415 62.669 63.100 -0.027 0.000 0.784 101 P CB 0.820 32.507 31.700 -0.022 0.000 0.923 108 V N 8.758 128.312 119.914 -0.599 0.000 2.326 108 V HA 0.532 4.652 4.120 -0.000 0.000 0.281 108 V C -2.097 173.507 176.094 -0.817 0.000 1.015 108 V CA -1.259 60.709 62.300 -0.554 0.000 0.823 108 V CB 1.196 32.874 31.823 -0.241 0.000 1.009 108 V HN 0.651 nan 8.190 nan 0.000 0.436 109 P HA 0.508 nan 4.420 nan 0.000 0.278 109 P C -2.770 174.423 177.300 -0.179 0.000 1.266 109 P CA -1.829 60.980 63.100 -0.485 0.000 0.807 109 P CB 0.194 31.800 31.700 -0.156 0.000 1.094 110 P HA 0.214 nan 4.420 nan 0.000 0.269 110 P C 0.035 177.329 177.300 -0.010 0.000 1.215 110 P CA 0.237 63.322 63.100 -0.024 0.000 0.780 110 P CB -0.225 31.482 31.700 0.011 0.000 0.898 111 E N 0.441 120.632 120.200 -0.015 0.000 2.398 111 E HA 0.418 4.768 4.350 -0.000 0.000 0.263 111 E C 1.204 177.810 176.600 0.011 0.000 1.046 111 E CA -0.079 56.314 56.400 -0.011 0.000 0.908 111 E CB -0.639 29.049 29.700 -0.020 0.000 0.963 111 E HN 0.945 nan 8.360 nan 0.000 0.431 112 G N 1.197 110.006 108.800 0.015 0.000 2.132 112 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.234 112 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.234 112 G C 0.334 175.271 174.900 0.062 0.000 0.989 112 G CA 0.330 45.447 45.100 0.027 0.000 0.676 112 G HN 0.748 nan 8.290 nan 0.000 0.522 113 Q N 1.018 120.878 119.800 0.101 0.000 2.352 113 Q HA 0.490 4.830 4.340 -0.000 0.000 0.260 113 Q C 1.223 177.331 176.000 0.180 0.000 0.976 113 Q CA 0.361 56.247 55.803 0.139 0.000 0.881 113 Q CB 0.896 29.748 28.738 0.190 0.000 1.235 113 Q HN 0.681 nan 8.270 nan 0.000 0.419 114 S N 1.413 117.179 115.700 0.110 0.000 2.606 114 S HA 0.012 4.482 4.470 -0.000 0.000 0.257 114 S C 0.946 175.519 174.600 -0.046 0.000 1.327 114 S CA -0.677 57.571 58.200 0.080 0.000 0.984 114 S CB 0.473 63.687 63.200 0.023 0.000 0.941 114 S HN 0.662 nan 8.310 nan 0.000 0.576 115 L N 0.865 121.943 121.223 -0.240 0.000 1.989 115 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 115 L C 2.803 179.478 176.870 -0.325 0.000 1.071 115 L CA 2.131 56.589 54.840 -0.637 0.000 0.749 115 L CB -0.929 40.863 42.059 -0.446 0.000 0.890 115 L HN 0.900 nan 8.230 nan 0.000 0.431 116 R N -0.534 119.863 120.500 -0.170 0.000 2.081 116 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 116 R C 2.157 178.409 176.300 -0.080 0.000 1.131 116 R CA 1.963 57.998 56.100 -0.108 0.000 0.960 116 R CB -0.243 30.022 30.300 -0.058 0.000 0.856 116 R HN 0.544 nan 8.270 nan 0.000 0.436 117 E N -1.192 118.984 120.200 -0.040 0.000 2.110 117 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 117 E C 1.826 178.421 176.600 -0.008 0.000 0.988 117 E CA 1.477 57.876 56.400 -0.002 0.000 0.804 117 E CB -0.181 29.541 29.700 0.036 0.000 0.745 117 E HN 0.486 nan 8.360 nan 0.000 0.458 118 H N 0.647 119.648 119.070 -0.114 0.000 2.293 118 H HA -0.071 4.485 4.556 -0.000 0.000 0.300 118 H C 1.876 177.082 175.328 -0.203 0.000 1.082 118 H CA 1.767 57.759 56.048 -0.092 0.000 1.308 118 H CB -0.134 29.548 29.762 -0.134 0.000 1.375 118 H HN 0.067 nan 8.280 nan 0.000 0.495 119 I N 0.487 120.861 120.570 -0.327 0.000 2.118 119 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 119 I C 1.877 177.543 176.117 -0.751 0.000 1.070 119 I CA 1.763 62.736 61.300 -0.546 0.000 1.327 119 I CB -0.274 37.506 38.000 -0.367 0.000 1.034 119 I HN 0.359 nan 8.210 nan 0.000 0.405 120 D N 0.704 120.874 120.400 -0.383 0.000 2.178 120 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 120 D C 2.138 178.319 176.300 -0.198 0.000 0.980 120 D CA 1.493 55.380 54.000 -0.189 0.000 0.842 120 D CB -0.468 40.378 40.800 0.076 0.000 0.948 120 D HN 0.434 nan 8.370 nan 0.000 0.472 121 G N 0.056 108.729 108.800 -0.212 0.000 2.572 121 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.216 121 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.216 121 G C 1.583 176.288 174.900 -0.325 0.000 1.133 121 G CA -0.102 44.915 45.100 -0.138 0.000 0.791 121 G HN 0.248 nan 8.290 nan 0.000 0.538 122 L N -1.023 119.853 121.223 -0.578 0.000 2.492 122 L HA 0.135 4.475 4.340 -0.000 0.000 0.223 122 L C 2.384 178.945 176.870 -0.514 0.000 1.132 122 L CA -0.057 54.373 54.840 -0.685 0.000 0.850 122 L CB -0.163 41.446 42.059 -0.749 0.000 0.966 122 L HN 0.376 nan 8.230 nan 0.000 0.454 123 W N 1.015 122.132 121.300 -0.305 0.000 2.318 123 W HA -0.184 4.476 4.660 -0.000 0.000 0.313 123 W C -0.344 175.997 176.519 -0.297 0.000 1.221 123 W CA 0.488 57.646 57.345 -0.311 0.000 1.266 123 W CB -1.788 27.421 29.460 -0.419 0.000 1.150 123 W HN 0.135 nan 8.180 nan 0.000 0.496 124 P HA -0.132 nan 4.420 nan 0.000 0.219 124 P C 1.549 178.753 177.300 -0.160 0.000 1.150 124 P CA 1.432 64.466 63.100 -0.110 0.000 0.814 124 P CB -0.237 31.408 31.700 -0.091 0.000 0.787 125 V N -0.327 119.426 119.914 -0.269 0.000 2.407 125 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 125 V C 2.194 178.167 176.094 -0.202 0.000 1.055 125 V CA 1.595 63.712 62.300 -0.305 0.000 1.049 125 V CB -1.179 30.282 31.823 -0.604 0.000 0.662 125 V HN 0.080 nan 8.190 nan 0.000 0.455 126 L N -0.606 120.513 121.223 -0.173 0.000 2.591 126 L HA 0.116 4.456 4.340 -0.000 0.000 0.228 126 L C 0.674 177.484 176.870 -0.100 0.000 1.133 126 L CA 0.170 54.945 54.840 -0.108 0.000 0.880 126 L CB -0.343 41.673 42.059 -0.073 0.000 1.033 126 L HN 0.210 nan 8.230 nan 0.000 0.450 127 T N 1.373 115.849 114.554 -0.130 0.000 2.806 127 T HA 0.430 4.780 4.350 -0.000 0.000 0.290 127 T C 0.186 174.719 174.700 -0.278 0.000 0.966 127 T CA -0.356 61.632 62.100 -0.187 0.000 1.060 127 T CB 1.161 69.941 68.868 -0.147 0.000 0.927 127 T HN 0.143 nan 8.240 nan 0.000 0.485 128 R N 1.470 121.664 120.500 -0.510 0.000 2.778 128 R HA 0.678 5.018 4.340 -0.000 0.000 0.277 128 R C -0.622 175.328 176.300 -0.584 0.000 0.977 128 R CA -0.794 54.958 56.100 -0.579 0.000 0.950 128 R CB 1.914 31.753 30.300 -0.769 0.000 1.165 128 R HN 0.507 nan 8.270 nan 0.000 0.474 129 S N 0.633 116.146 115.700 -0.311 0.000 2.774 129 S HA 0.234 4.704 4.470 -0.000 0.000 0.297 129 S C -0.700 173.861 174.600 -0.065 0.000 1.143 129 S CA -0.513 57.590 58.200 -0.161 0.000 1.090 129 S CB 0.633 63.768 63.200 -0.107 0.000 1.019 129 S HN 0.657 nan 8.310 nan 0.000 0.482 130 T N 1.595 116.178 114.554 0.049 0.000 3.504 130 T HA 0.407 4.757 4.350 -0.000 0.000 0.286 130 T C 0.476 175.204 174.700 0.047 0.000 1.530 130 T CA -0.608 61.532 62.100 0.067 0.000 1.652 130 T CB 0.434 69.379 68.868 0.129 0.000 0.895 130 T HN 0.561 nan 8.240 nan 0.000 0.674 131 E N 1.634 121.834 120.200 0.000 0.000 2.274 131 E HA 0.032 4.382 4.350 -0.000 0.000 0.194 131 E C 0.248 176.823 176.600 -0.042 0.000 0.996 131 E CA 0.422 56.801 56.400 -0.035 0.000 0.840 131 E CB 0.192 29.864 29.700 -0.046 0.000 0.772 131 E HN 0.562 nan 8.360 nan 0.000 0.491 132 N N 0.671 119.352 118.700 -0.032 0.000 2.295 132 N HA 0.183 4.923 4.740 -0.000 0.000 0.293 132 N C -0.824 174.665 175.510 -0.035 0.000 1.040 132 N CA -0.147 52.879 53.050 -0.040 0.000 0.840 132 N CB 2.164 40.627 38.487 -0.041 0.000 1.468 132 N HN -0.053 nan 8.380 nan 0.000 0.478 133 T N -2.495 112.031 114.554 -0.047 0.000 2.906 133 T HA 0.335 4.685 4.350 -0.000 0.000 0.295 133 T C -0.184 174.472 174.700 -0.073 0.000 1.075 133 T CA -0.861 61.212 62.100 -0.045 0.000 1.005 133 T CB 2.370 71.215 68.868 -0.039 0.000 1.136 133 T HN 0.287 nan 8.240 nan 0.000 0.498 134 E N 1.029 121.192 120.200 -0.061 0.000 2.442 134 E HA 0.000 4.350 4.350 -0.000 0.000 0.262 134 E C 1.035 177.536 176.600 -0.165 0.000 1.004 134 E CA -0.080 56.267 56.400 -0.089 0.000 0.928 134 E CB 0.730 30.419 29.700 -0.018 0.000 0.937 134 E HN 0.787 nan 8.360 nan 0.000 0.446 135 K N 3.889 124.081 120.400 -0.345 0.000 2.144 135 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 135 K C 0.868 177.111 176.600 -0.595 0.000 1.047 135 K CA 1.773 57.692 56.287 -0.613 0.000 0.927 135 K CB 0.036 31.841 32.500 -1.158 0.000 0.716 135 K HN 0.615 nan 8.250 nan 0.000 0.454 136 W N 1.272 122.549 121.300 -0.039 0.000 3.132 136 W HA 0.152 4.812 4.660 -0.000 0.000 0.364 136 W C 0.112 176.604 176.519 -0.046 0.000 1.129 136 W CA -0.766 56.553 57.345 -0.042 0.000 1.815 136 W CB -0.250 29.184 29.460 -0.043 0.000 1.099 136 W HN 0.021 nan 8.180 nan 0.000 0.605 137 D N 0.728 121.176 120.400 0.081 0.000 2.414 137 D HA -0.032 4.608 4.640 -0.000 0.000 0.242 137 D C 1.525 177.821 176.300 -0.007 0.000 1.129 137 D CA 0.585 54.606 54.000 0.036 0.000 0.885 137 D CB 1.567 42.368 40.800 0.001 0.000 1.198 137 D HN -0.064 nan 8.370 nan 0.000 0.437 138 S N 3.123 118.808 115.700 -0.026 0.000 2.453 138 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 138 S C 1.112 175.608 174.600 -0.172 0.000 1.005 138 S CA -0.251 57.889 58.200 -0.099 0.000 0.949 138 S CB -0.094 63.075 63.200 -0.051 0.000 0.774 138 S HN 0.426 nan 8.310 nan 0.000 0.510 139 L N 2.800 123.962 121.223 -0.102 0.000 2.462 139 L HA 0.349 4.689 4.340 -0.000 0.000 0.272 139 L C -0.489 176.328 176.870 -0.088 0.000 1.166 139 L CA 0.004 54.789 54.840 -0.093 0.000 0.880 139 L CB 0.078 42.122 42.059 -0.025 0.000 1.142 139 L HN 0.288 nan 8.230 nan 0.000 0.473 140 L N 7.733 128.893 121.223 -0.105 0.000 2.334 140 L HA 0.507 4.847 4.340 -0.000 0.000 0.277 140 L C -1.934 174.914 176.870 -0.037 0.000 1.075 140 L CA -2.010 52.794 54.840 -0.059 0.000 0.804 140 L CB 1.059 43.089 42.059 -0.049 0.000 1.174 140 L HN 0.547 nan 8.230 nan 0.000 0.438 141 P HA 0.227 nan 4.420 nan 0.000 0.271 141 P C -1.066 176.194 177.300 -0.067 0.000 1.218 141 P CA -0.096 62.986 63.100 -0.030 0.000 0.780 141 P CB 1.177 32.855 31.700 -0.036 0.000 0.901 142 L N 3.809 124.972 121.223 -0.100 0.000 2.388 142 L HA 0.388 4.728 4.340 -0.000 0.000 0.264 142 L C -1.473 175.277 176.870 -0.200 0.000 0.998 142 L CA -2.118 52.599 54.840 -0.205 0.000 0.817 142 L CB 3.037 44.925 42.059 -0.284 0.000 1.338 142 L HN 0.181 nan 8.230 nan 0.000 0.414 143 P HA 0.035 nan 4.420 nan 0.000 0.236 143 P C -0.287 176.941 177.300 -0.119 0.000 1.177 143 P CA 0.778 63.729 63.100 -0.248 0.000 0.773 143 P CB 0.672 32.159 31.700 -0.355 0.000 0.878 144 E N -0.284 119.870 120.200 -0.077 0.000 2.369 144 E HA 0.444 4.794 4.350 -0.000 0.000 0.270 144 E C -2.784 173.854 176.600 0.063 0.000 0.909 144 E CA -2.768 53.621 56.400 -0.018 0.000 0.775 144 E CB 1.008 30.692 29.700 -0.026 0.000 1.270 144 E HN -0.090 nan 8.360 nan 0.000 0.445 145 P HA 0.052 nan 4.420 nan 0.000 0.269 145 P C -1.054 176.281 177.300 0.058 0.000 1.217 145 P CA 0.434 63.521 63.100 -0.020 0.000 0.783 145 P CB 0.069 31.726 31.700 -0.072 0.000 0.898 146 Y N -2.099 118.144 120.300 -0.095 0.000 2.558 146 Y HA 0.618 5.168 4.550 -0.000 0.000 0.333 146 Y C -1.516 174.348 175.900 -0.061 0.000 1.125 146 Y CA -1.559 56.480 58.100 -0.101 0.000 1.039 146 Y CB 0.485 38.862 38.460 -0.139 0.000 1.331 146 Y HN -0.011 nan 8.280 nan 0.000 0.456 147 V N 4.017 123.986 119.914 0.092 0.000 2.439 147 V HA 0.614 4.734 4.120 -0.000 0.000 0.282 147 V C 0.251 176.434 176.094 0.148 0.000 1.039 147 V CA -0.521 61.812 62.300 0.054 0.000 0.913 147 V CB 1.093 32.950 31.823 0.057 0.000 0.983 147 V HN 0.872 nan 8.190 nan 0.000 0.460 148 V N 3.141 123.108 119.914 0.089 0.000 2.975 148 V HA 0.576 4.696 4.120 -0.000 0.000 0.318 148 V C -2.078 173.989 176.094 -0.045 0.000 1.077 148 V CA -1.874 60.505 62.300 0.130 0.000 1.000 148 V CB 1.477 33.402 31.823 0.170 0.000 1.066 148 V HN 0.580 nan 8.190 nan 0.000 0.452 149 P HA 0.235 nan 4.420 nan 0.000 0.216 149 P C 0.630 177.523 177.300 -0.678 0.000 1.153 149 P CA 1.949 64.621 63.100 -0.714 0.000 0.848 149 P CB -0.145 30.909 31.700 -1.077 0.000 0.787 150 G N -3.622 105.054 108.800 -0.205 0.000 2.362 150 G HA2 0.388 4.348 3.960 -0.000 0.000 0.656 150 G HA3 0.388 4.348 3.960 -0.000 0.000 0.656 150 G C 0.133 175.145 174.900 0.186 0.000 1.376 150 G CA -0.243 44.855 45.100 -0.002 0.000 0.971 150 G HN 0.436 nan 8.290 nan 0.000 0.636 151 G N 0.833 109.711 108.800 0.131 0.000 2.611 151 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.301 151 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.301 151 G C 1.545 176.421 174.900 -0.039 0.000 1.233 151 G CA 2.057 47.204 45.100 0.078 0.000 0.993 151 G HN 2.264 nan 8.290 nan 0.000 0.553 152 R N 0.309 120.667 120.500 -0.237 0.000 2.285 152 R HA 0.131 4.471 4.340 -0.000 0.000 0.213 152 R C 0.623 176.694 176.300 -0.382 0.000 1.068 152 R CA 1.218 57.103 56.100 -0.358 0.000 1.004 152 R CB -0.282 29.707 30.300 -0.518 0.000 0.873 152 R HN 0.314 nan 8.270 nan 0.000 0.467 153 F N 2.387 122.396 119.950 0.098 0.000 2.515 153 F HA 0.340 4.867 4.527 -0.000 0.000 0.353 153 F C 0.630 176.539 175.800 0.182 0.000 1.213 153 F CA -0.698 57.395 58.000 0.155 0.000 1.194 153 F CB 0.732 39.703 39.000 -0.048 0.000 1.488 153 F HN -0.166 nan 8.300 nan 0.000 0.619 154 R N 2.363 123.049 120.500 0.310 0.000 2.702 154 R HA 0.173 4.513 4.340 -0.000 0.000 0.314 154 R C -0.101 176.359 176.300 0.267 0.000 1.152 154 R CA -0.111 56.115 56.100 0.211 0.000 1.097 154 R CB 0.084 30.458 30.300 0.123 0.000 1.343 154 R HN 0.511 nan 8.270 nan 0.000 0.575 155 E N -1.062 119.367 120.200 0.383 0.000 2.437 155 E HA 0.137 4.487 4.350 -0.000 0.000 0.280 155 E C -1.068 175.721 176.600 0.314 0.000 1.044 155 E CA -0.882 55.704 56.400 0.309 0.000 0.826 155 E CB 1.020 30.802 29.700 0.137 0.000 1.358 155 E HN -0.141 nan 8.360 nan 0.000 0.459 156 V N 1.239 121.217 119.914 0.106 0.000 2.715 156 V HA 0.207 4.327 4.120 -0.000 0.000 0.299 156 V C -1.169 174.923 176.094 -0.004 0.000 1.054 156 V CA 0.134 62.496 62.300 0.103 0.000 1.077 156 V CB -0.174 31.520 31.823 -0.215 0.000 0.972 156 V HN 0.539 nan 8.190 nan 0.000 0.484 157 Y N 6.143 126.558 120.300 0.192 0.000 2.393 157 Y HA 0.334 4.883 4.550 -0.000 0.000 0.341 157 Y C 0.445 176.573 175.900 0.381 0.000 0.988 157 Y CA -0.386 57.827 58.100 0.188 0.000 1.078 157 Y CB 1.129 39.597 38.460 0.013 0.000 1.203 157 Y HN 0.696 nan 8.280 nan 0.000 0.453 158 Y N 3.824 124.293 120.300 0.282 0.000 2.009 158 Y HA -0.309 4.240 4.550 -0.000 0.000 0.260 158 Y C 2.087 178.197 175.900 0.350 0.000 1.118 158 Y CA 2.249 60.472 58.100 0.205 0.000 1.087 158 Y CB -0.807 37.757 38.460 0.173 0.000 0.970 158 Y HN 0.812 nan 8.280 nan 0.000 0.481 159 W N 1.291 122.708 121.300 0.195 0.000 2.402 159 W HA -0.076 4.584 4.660 -0.000 0.000 0.286 159 W C 1.474 178.201 176.519 0.347 0.000 1.221 159 W CA 1.162 58.577 57.345 0.117 0.000 1.257 159 W CB -1.587 27.977 29.460 0.174 0.000 1.120 159 W HN 0.162 nan 8.180 nan 0.000 0.551 160 D N 1.331 121.900 120.400 0.282 0.000 2.133 160 D HA -0.198 4.441 4.640 -0.000 0.000 0.195 160 D C 2.338 178.819 176.300 0.301 0.000 0.997 160 D CA 2.859 56.951 54.000 0.153 0.000 0.840 160 D CB -0.514 40.133 40.800 -0.255 0.000 0.947 160 D HN 0.054 nan 8.370 nan 0.000 0.452 161 S N -0.666 115.236 115.700 0.338 0.000 2.399 161 S HA -0.188 4.282 4.470 -0.000 0.000 0.231 161 S C 1.658 176.411 174.600 0.255 0.000 1.022 161 S CA 0.581 58.991 58.200 0.349 0.000 0.983 161 S CB -0.346 63.223 63.200 0.614 0.000 0.803 161 S HN 0.380 nan 8.310 nan 0.000 0.480 162 Y N 1.440 121.779 120.300 0.066 0.000 2.163 162 Y HA -0.119 4.431 4.550 -0.000 0.000 0.288 162 Y C 1.640 177.391 175.900 -0.249 0.000 1.136 162 Y CA 1.297 59.306 58.100 -0.152 0.000 1.147 162 Y CB -0.554 37.638 38.460 -0.447 0.000 0.987 162 Y HN 0.224 nan 8.280 nan 0.000 0.509 163 F N -0.363 119.545 119.950 -0.070 0.000 2.186 163 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 163 F C 2.437 178.168 175.800 -0.116 0.000 1.090 163 F CA 1.701 59.614 58.000 -0.145 0.000 1.307 163 F CB -1.122 37.889 39.000 0.018 0.000 1.019 163 F HN -0.082 nan 8.300 nan 0.000 0.489 164 T N 0.238 114.885 114.554 0.156 0.000 2.708 164 T HA -0.233 4.117 4.350 -0.000 0.000 0.266 164 T C 1.976 176.579 174.700 -0.162 0.000 1.037 164 T CA 1.600 63.753 62.100 0.090 0.000 1.146 164 T CB -0.366 68.578 68.868 0.127 0.000 0.865 164 T HN 0.186 nan 8.240 nan 0.000 0.435 165 M N 0.400 119.882 119.600 -0.198 0.000 2.296 165 M HA 0.077 4.557 4.480 -0.000 0.000 0.265 165 M C 2.064 178.110 176.300 -0.423 0.000 1.064 165 M CA 1.090 56.206 55.300 -0.306 0.000 1.109 165 M CB -0.527 31.977 32.600 -0.160 0.000 1.396 165 M HN 0.164 nan 8.290 nan 0.000 0.430 166 L N -0.568 120.378 121.223 -0.461 0.000 2.042 166 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 166 L C 2.593 179.249 176.870 -0.358 0.000 1.076 166 L CA 1.395 55.968 54.840 -0.444 0.000 0.749 166 L CB -1.163 40.593 42.059 -0.506 0.000 0.893 166 L HN 0.431 nan 8.230 nan 0.000 0.432 167 G N -0.206 108.431 108.800 -0.273 0.000 2.402 167 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 167 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 167 G C 1.622 176.323 174.900 -0.330 0.000 1.162 167 G CA 0.349 45.383 45.100 -0.111 0.000 0.777 167 G HN 0.195 nan 8.290 nan 0.000 0.539 168 L N 0.814 121.591 121.223 -0.744 0.000 2.012 168 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 168 L C 3.437 179.883 176.870 -0.707 0.000 1.073 168 L CA 1.221 55.517 54.840 -0.907 0.000 0.748 168 L CB -0.446 41.080 42.059 -0.890 0.000 0.891 168 L HN 0.300 nan 8.230 nan 0.000 0.431 169 A N -0.612 121.724 122.820 -0.807 0.000 1.908 169 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 169 A C 2.324 179.468 177.584 -0.734 0.000 1.181 169 A CA 1.814 53.103 52.037 -1.247 0.000 0.627 169 A CB -0.569 17.720 19.000 -1.185 0.000 0.818 169 A HN 0.425 nan 8.150 nan 0.000 0.445 170 E N 0.742 120.703 120.200 -0.398 0.000 2.118 170 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 170 E C 1.620 178.135 176.600 -0.142 0.000 0.992 170 E CA 1.593 57.882 56.400 -0.186 0.000 0.804 170 E CB -0.163 29.462 29.700 -0.124 0.000 0.741 170 E HN 0.650 nan 8.360 nan 0.000 0.458 171 S N -1.544 114.059 115.700 -0.162 0.000 2.614 171 S HA 0.368 4.838 4.470 -0.000 0.000 0.230 171 S C 1.201 175.596 174.600 -0.342 0.000 0.952 171 S CA 0.377 58.523 58.200 -0.090 0.000 0.949 171 S CB 0.520 63.833 63.200 0.189 0.000 0.786 171 S HN 0.356 nan 8.310 nan 0.000 0.478 172 G N 1.764 110.313 108.800 -0.419 0.000 2.157 172 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.248 172 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.248 172 G C 0.026 174.600 174.900 -0.543 0.000 0.979 172 G CA 0.029 44.891 45.100 -0.397 0.000 0.650 172 G HN 0.669 nan 8.290 nan 0.000 0.529 173 H N -0.539 118.261 119.070 -0.451 0.000 2.768 173 H HA 0.296 4.852 4.556 -0.000 0.000 0.228 173 H C 1.178 176.267 175.328 -0.399 0.000 1.812 173 H CA -0.520 55.306 56.048 -0.370 0.000 1.273 173 H CB -0.493 29.005 29.762 -0.441 0.000 1.631 173 H HN 0.641 nan 8.280 nan 0.000 0.526 174 W N 0.618 121.803 121.300 -0.192 0.000 2.402 174 W HA -0.120 4.540 4.660 -0.000 0.000 0.286 174 W C 1.589 178.036 176.519 -0.120 0.000 1.221 174 W CA 0.315 57.523 57.345 -0.229 0.000 1.257 174 W CB 0.159 29.339 29.460 -0.467 0.000 1.120 174 W HN 0.304 nan 8.180 nan 0.000 0.551 175 D N 0.203 120.676 120.400 0.121 0.000 2.133 175 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 175 D C 2.051 178.371 176.300 0.034 0.000 0.997 175 D CA 1.338 55.385 54.000 0.079 0.000 0.840 175 D CB -0.273 40.564 40.800 0.061 0.000 0.947 175 D HN -0.062 nan 8.370 nan 0.000 0.452 176 K N 0.262 120.648 120.400 -0.023 0.000 2.103 176 K HA 0.002 4.322 4.320 -0.000 0.000 0.204 176 K C 2.169 178.728 176.600 -0.069 0.000 1.052 176 K CA 0.195 56.435 56.287 -0.079 0.000 0.945 176 K CB -0.447 31.941 32.500 -0.187 0.000 0.722 176 K HN 0.117 nan 8.250 nan 0.000 0.443 177 V N 1.544 121.411 119.914 -0.078 0.000 2.295 177 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 177 V C 2.470 178.609 176.094 0.076 0.000 1.049 177 V CA 2.040 64.322 62.300 -0.029 0.000 1.024 177 V CB -0.787 31.008 31.823 -0.047 0.000 0.648 177 V HN 0.267 nan 8.190 nan 0.000 0.447 178 A N -0.195 122.695 122.820 0.117 0.000 1.933 178 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 178 A C 1.987 179.627 177.584 0.094 0.000 1.175 178 A CA 1.951 54.069 52.037 0.136 0.000 0.628 178 A CB -0.636 18.456 19.000 0.153 0.000 0.814 178 A HN 0.554 nan 8.150 nan 0.000 0.444 179 D N -0.267 120.165 120.400 0.053 0.000 2.104 179 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 179 D C 1.974 178.269 176.300 -0.008 0.000 0.994 179 D CA 1.683 55.697 54.000 0.022 0.000 0.830 179 D CB -0.348 40.453 40.800 0.002 0.000 0.959 179 D HN 0.514 nan 8.370 nan 0.000 0.452 180 M N -0.037 119.558 119.600 -0.008 0.000 2.200 180 M HA -0.088 4.392 4.480 -0.000 0.000 0.265 180 M C 2.320 178.617 176.300 -0.005 0.000 1.066 180 M CA 0.519 55.772 55.300 -0.078 0.000 1.127 180 M CB 0.134 32.743 32.600 0.016 0.000 1.379 180 M HN -0.139 nan 8.290 nan 0.000 0.420 181 V N 0.365 120.360 119.914 0.135 0.000 2.343 181 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 181 V C 2.619 178.766 176.094 0.089 0.000 1.051 181 V CA 1.981 64.393 62.300 0.186 0.000 1.036 181 V CB -1.158 30.641 31.823 -0.040 0.000 0.654 181 V HN 0.508 nan 8.190 nan 0.000 0.451 182 A N 0.285 123.146 122.820 0.068 0.000 1.902 182 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 182 A C 2.094 179.713 177.584 0.057 0.000 1.181 182 A CA 2.058 54.176 52.037 0.135 0.000 0.623 182 A CB -0.668 18.412 19.000 0.132 0.000 0.818 182 A HN 0.576 nan 8.150 nan 0.000 0.443 183 N N -0.554 118.095 118.700 -0.085 0.000 2.084 183 N HA -0.130 4.610 4.740 -0.000 0.000 0.190 183 N C 1.359 176.758 175.510 -0.184 0.000 1.030 183 N CA 1.549 54.467 53.050 -0.220 0.000 0.849 183 N CB -0.618 37.589 38.487 -0.467 0.000 1.012 183 N HN 0.466 nan 8.380 nan 0.000 0.423 184 F N 1.242 121.169 119.950 -0.038 0.000 2.186 184 F HA 0.026 4.552 4.527 -0.000 0.000 0.299 184 F C 2.356 177.943 175.800 -0.356 0.000 1.090 184 F CA 0.625 58.511 58.000 -0.189 0.000 1.307 184 F CB -0.936 37.995 39.000 -0.115 0.000 1.019 184 F HN 0.008 nan 8.300 nan 0.000 0.489 185 A N -0.581 122.224 122.820 -0.024 0.000 1.902 185 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 185 A C 2.035 179.609 177.584 -0.017 0.000 1.181 185 A CA 2.021 54.044 52.037 -0.022 0.000 0.623 185 A CB -1.305 17.900 19.000 0.342 0.000 0.818 185 A HN 0.524 nan 8.150 nan 0.000 0.443 186 H N -0.081 118.945 119.070 -0.072 0.000 2.352 186 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 186 H C 1.904 177.084 175.328 -0.247 0.000 1.097 186 H CA 2.106 58.074 56.048 -0.134 0.000 1.311 186 H CB -0.102 29.581 29.762 -0.131 0.000 1.377 186 H HN 0.613 nan 8.280 nan 0.000 0.504 187 E N 0.095 120.141 120.200 -0.255 0.000 2.077 187 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 187 E C 2.371 178.746 176.600 -0.375 0.000 0.989 187 E CA 1.267 57.458 56.400 -0.348 0.000 0.800 187 E CB -0.021 29.658 29.700 -0.035 0.000 0.746 187 E HN 0.569 nan 8.360 nan 0.000 0.452 188 I N 1.337 121.721 120.570 -0.311 0.000 2.208 188 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 188 I C 2.240 178.211 176.117 -0.243 0.000 1.097 188 I CA 1.304 62.439 61.300 -0.275 0.000 1.363 188 I CB -0.237 37.600 38.000 -0.272 0.000 1.051 188 I HN 0.074 nan 8.210 nan 0.000 0.413 189 D N 0.356 120.593 120.400 -0.273 0.000 2.117 189 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 189 D C 2.183 178.268 176.300 -0.358 0.000 0.987 189 D CA 2.022 55.867 54.000 -0.260 0.000 0.829 189 D CB 0.123 40.785 40.800 -0.230 0.000 0.961 189 D HN 0.391 nan 8.370 nan 0.000 0.460 190 T N -2.825 111.360 114.554 -0.615 0.000 2.976 190 T HA -0.051 4.299 4.350 -0.000 0.000 0.257 190 T C 1.488 175.860 174.700 -0.547 0.000 1.051 190 T CA 0.540 62.229 62.100 -0.686 0.000 1.141 190 T CB -0.430 67.806 68.868 -1.054 0.000 0.881 190 T HN 0.125 nan 8.240 nan 0.000 0.461 191 Y N 1.208 121.335 120.300 -0.288 0.000 2.481 191 Y HA 0.549 5.099 4.550 -0.000 0.000 0.258 191 Y C 2.240 178.005 175.900 -0.226 0.000 1.103 191 Y CA -0.673 57.257 58.100 -0.284 0.000 1.287 191 Y CB -0.115 38.077 38.460 -0.448 0.000 1.108 191 Y HN 0.407 nan 8.280 nan 0.000 0.529 192 G N -0.063 108.677 108.800 -0.100 0.000 2.213 192 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.236 192 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.236 192 G C 0.138 174.976 174.900 -0.104 0.000 0.991 192 G CA 0.304 45.384 45.100 -0.033 0.000 0.629 192 G HN 0.611 nan 8.290 nan 0.000 0.517 193 H N -1.322 117.533 119.070 -0.357 0.000 2.948 193 H HA 0.607 5.163 4.556 -0.000 0.000 0.315 193 H C -1.023 174.041 175.328 -0.439 0.000 1.360 193 H CA -1.151 54.495 56.048 -0.669 0.000 1.125 193 H CB 0.672 29.378 29.762 -1.760 0.000 1.844 193 H HN 0.190 nan 8.280 nan 0.000 0.529 194 I N 3.187 123.499 120.570 -0.431 0.000 2.325 194 I HA 0.205 4.375 4.170 -0.000 0.000 0.291 194 I C -2.208 173.743 176.117 -0.276 0.000 1.019 194 I CA -1.843 59.177 61.300 -0.466 0.000 1.302 194 I CB 1.480 38.950 38.000 -0.884 0.000 1.401 194 I HN 0.255 nan 8.210 nan 0.000 0.485 195 P HA 0.048 nan 4.420 nan 0.000 0.274 195 P C 0.291 177.571 177.300 -0.033 0.000 1.246 195 P CA -0.303 62.741 63.100 -0.093 0.000 0.795 195 P CB 0.756 32.316 31.700 -0.233 0.000 1.006 196 N N 0.383 119.075 118.700 -0.014 0.000 2.133 196 N HA -0.144 4.596 4.740 -0.000 0.000 0.193 196 N C 0.721 176.023 175.510 -0.346 0.000 1.012 196 N CA 2.031 54.985 53.050 -0.160 0.000 0.871 196 N CB -0.406 37.840 38.487 -0.402 0.000 1.011 196 N HN 0.693 nan 8.380 nan 0.000 0.435 197 G N -1.247 107.360 108.800 -0.322 0.000 2.559 197 G HA2 0.157 4.116 3.960 -0.000 0.000 0.291 197 G HA3 0.157 4.116 3.960 -0.000 0.000 0.291 197 G C -1.340 173.511 174.900 -0.081 0.000 1.424 197 G CA -0.479 44.447 45.100 -0.290 0.000 0.786 197 G HN 0.343 nan 8.290 nan 0.000 0.485 198 N N 1.042 119.647 118.700 -0.157 0.000 3.178 198 N HA 0.151 4.891 4.740 -0.000 0.000 0.300 198 N C -0.284 175.094 175.510 -0.220 0.000 1.242 198 N CA -0.059 52.882 53.050 -0.182 0.000 1.192 198 N CB 0.298 38.642 38.487 -0.238 0.000 1.463 198 N HN 0.284 nan 8.380 nan 0.000 0.539 199 R N 0.037 120.353 120.500 -0.306 0.000 2.686 199 R HA 0.201 4.541 4.340 -0.000 0.000 0.283 199 R C 1.063 176.988 176.300 -0.626 0.000 0.978 199 R CA -0.458 55.249 56.100 -0.654 0.000 0.897 199 R CB 1.687 31.109 30.300 -1.462 0.000 1.192 199 R HN 0.430 nan 8.270 nan 0.000 0.457 200 S N 1.471 116.860 115.700 -0.519 0.000 2.387 200 S HA -0.239 4.230 4.470 -0.000 0.000 0.230 200 S C 1.592 176.021 174.600 -0.285 0.000 1.035 200 S CA 1.669 59.671 58.200 -0.330 0.000 1.014 200 S CB -0.570 62.512 63.200 -0.196 0.000 0.836 200 S HN 0.749 nan 8.310 nan 0.000 0.466 201 Y N -1.149 118.997 120.300 -0.257 0.000 2.529 201 Y HA 0.445 4.995 4.550 -0.000 0.000 0.290 201 Y C 1.005 176.834 175.900 -0.120 0.000 1.177 201 Y CA -0.836 57.133 58.100 -0.219 0.000 1.305 201 Y CB -0.784 37.520 38.460 -0.259 0.000 1.047 201 Y HN 0.167 nan 8.280 nan 0.000 0.522 202 Y N -0.065 120.148 120.300 -0.146 0.000 2.467 202 Y HA 0.306 4.856 4.550 -0.000 0.000 0.250 202 Y C 1.552 177.399 175.900 -0.088 0.000 1.155 202 Y CA -1.072 56.988 58.100 -0.068 0.000 1.249 202 Y CB -0.185 38.185 38.460 -0.150 0.000 1.146 202 Y HN 0.233 nan 8.280 nan 0.000 0.524 203 L N -0.292 120.919 121.223 -0.018 0.000 2.291 203 L HA -0.136 4.204 4.340 -0.000 0.000 0.214 203 L C 2.123 179.057 176.870 0.107 0.000 1.120 203 L CA 1.503 56.289 54.840 -0.091 0.000 0.799 203 L CB -0.355 41.552 42.059 -0.254 0.000 0.925 203 L HN 0.201 nan 8.230 nan 0.000 0.446 204 S N -0.046 115.707 115.700 0.088 0.000 2.607 204 S HA 0.029 4.499 4.470 -0.000 0.000 0.224 204 S C 0.698 175.325 174.600 0.045 0.000 0.969 204 S CA -0.452 57.791 58.200 0.072 0.000 0.927 204 S CB -0.252 62.971 63.200 0.039 0.000 0.772 204 S HN 0.522 nan 8.310 nan 0.000 0.533 205 R N -1.401 119.152 120.500 0.088 0.000 2.764 205 R HA 0.760 5.100 4.340 -0.000 0.000 0.270 205 R C -0.377 175.985 176.300 0.103 0.000 1.014 205 R CA -0.742 55.390 56.100 0.054 0.000 0.904 205 R CB 0.979 31.318 30.300 0.064 0.000 1.236 205 R HN -0.020 nan 8.270 nan 0.000 0.466 206 S N -0.875 114.902 115.700 0.128 0.000 3.339 206 S HA 0.454 4.924 4.470 -0.000 0.000 0.221 206 S C -0.655 174.171 174.600 0.378 0.000 1.059 206 S CA -0.466 57.903 58.200 0.282 0.000 1.365 206 S CB 0.903 64.293 63.200 0.315 0.000 1.065 206 S HN 0.612 nan 8.310 nan 0.000 0.618 207 Q N -0.408 119.777 119.800 0.642 0.000 2.814 207 Q HA 0.382 4.722 4.340 -0.000 0.000 0.322 207 Q C -2.928 173.260 176.000 0.314 0.000 0.861 207 Q CA -1.970 54.042 55.803 0.349 0.000 0.773 207 Q CB 1.791 30.706 28.738 0.295 0.000 1.423 207 Q HN 0.283 nan 8.270 nan 0.000 0.495 208 P HA 0.037 nan 4.420 nan 0.000 0.262 208 P C -2.504 174.776 177.300 -0.033 0.000 1.199 208 P CA -0.507 62.616 63.100 0.038 0.000 0.763 208 P CB -0.014 31.644 31.700 -0.070 0.000 0.790 209 P HA 0.136 nan 4.420 nan 0.000 0.279 209 P C -0.517 176.667 177.300 -0.193 0.000 1.318 209 P CA 0.223 63.273 63.100 -0.084 0.000 0.819 209 P CB 0.104 31.698 31.700 -0.177 0.000 0.927 210 F N 1.457 121.288 119.950 -0.199 0.000 2.706 210 F HA 0.178 4.705 4.527 -0.000 0.000 0.313 210 F C 1.839 177.689 175.800 0.083 0.000 1.096 210 F CA -0.304 57.631 58.000 -0.108 0.000 1.219 210 F CB -0.005 38.891 39.000 -0.174 0.000 1.051 210 F HN 0.124 nan 8.300 nan 0.000 0.568 211 F N 1.569 121.702 119.950 0.306 0.000 2.126 211 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 211 F C 2.275 178.151 175.800 0.125 0.000 1.096 211 F CA 1.671 59.806 58.000 0.225 0.000 1.255 211 F CB -0.576 38.551 39.000 0.212 0.000 0.997 211 F HN -0.050 nan 8.300 nan 0.000 0.479 212 A N 0.246 123.048 122.820 -0.031 0.000 1.940 212 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 212 A C 2.076 179.554 177.584 -0.175 0.000 1.176 212 A CA 1.992 53.918 52.037 -0.184 0.000 0.631 212 A CB -1.140 17.797 19.000 -0.105 0.000 0.814 212 A HN 0.437 nan 8.150 nan 0.000 0.446 213 L N -1.041 120.100 121.223 -0.137 0.000 2.156 213 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 213 L C 2.686 179.629 176.870 0.121 0.000 1.095 213 L CA 1.469 56.250 54.840 -0.098 0.000 0.770 213 L CB -0.547 41.296 42.059 -0.360 0.000 0.914 213 L HN 0.372 nan 8.230 nan 0.000 0.439 214 M N -1.672 118.012 119.600 0.140 0.000 2.159 214 M HA -0.176 4.304 4.480 -0.000 0.000 0.263 214 M C 2.224 178.544 176.300 0.032 0.000 1.063 214 M CA 1.229 56.661 55.300 0.221 0.000 1.110 214 M CB -0.484 32.259 32.600 0.238 0.000 1.374 214 M HN 0.056 nan 8.290 nan 0.000 0.411 215 V N 0.258 120.052 119.914 -0.201 0.000 2.343 215 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 215 V C 2.389 178.474 176.094 -0.016 0.000 1.051 215 V CA 1.705 63.896 62.300 -0.182 0.000 1.036 215 V CB -0.712 30.915 31.823 -0.326 0.000 0.654 215 V HN 0.428 nan 8.190 nan 0.000 0.451 216 E N -0.199 119.997 120.200 -0.007 0.000 2.110 216 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 216 E C 2.139 178.809 176.600 0.117 0.000 0.988 216 E CA 1.135 57.558 56.400 0.039 0.000 0.804 216 E CB -0.320 29.390 29.700 0.016 0.000 0.745 216 E HN 0.464 nan 8.360 nan 0.000 0.458 217 L N 1.133 122.469 121.223 0.189 0.000 1.989 217 L HA -0.194 4.145 4.340 -0.000 0.000 0.211 217 L C 2.384 179.446 176.870 0.319 0.000 1.071 217 L CA 1.477 56.475 54.840 0.263 0.000 0.749 217 L CB -0.836 41.375 42.059 0.254 0.000 0.890 217 L HN 0.121 nan 8.230 nan 0.000 0.431 218 L N 0.068 121.451 121.223 0.267 0.000 2.079 218 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 218 L C 2.480 179.419 176.870 0.115 0.000 1.081 218 L CA 2.016 57.011 54.840 0.259 0.000 0.752 218 L CB -1.098 41.086 42.059 0.208 0.000 0.896 218 L HN 0.341 nan 8.230 nan 0.000 0.433 219 A N -1.286 121.588 122.820 0.090 0.000 2.024 219 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 219 A C 2.155 179.741 177.584 0.004 0.000 1.164 219 A CA 1.743 53.801 52.037 0.034 0.000 0.643 219 A CB -0.523 18.493 19.000 0.027 0.000 0.806 219 A HN 0.689 nan 8.150 nan 0.000 0.451 220 Q N -1.666 118.162 119.800 0.047 0.000 2.124 220 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 220 Q C 2.103 178.045 176.000 -0.096 0.000 0.977 220 Q CA 1.499 57.322 55.803 0.033 0.000 0.850 220 Q CB -0.237 28.601 28.738 0.166 0.000 0.901 220 Q HN 0.897 nan 8.270 nan 0.000 0.429 221 H N 0.182 118.995 119.070 -0.427 0.000 2.399 221 H HA 0.047 4.603 4.556 -0.000 0.000 0.300 221 H C 1.185 176.276 175.328 -0.395 0.000 1.048 221 H CA 0.870 56.499 56.048 -0.698 0.000 1.370 221 H CB 0.669 29.443 29.762 -1.647 0.000 1.428 221 H HN 0.251 nan 8.280 nan 0.000 0.534 222 E N 0.008 120.095 120.200 -0.189 0.000 2.400 222 E HA 0.157 4.507 4.350 -0.000 0.000 0.195 222 E C 0.887 177.422 176.600 -0.107 0.000 1.012 222 E CA 0.254 56.575 56.400 -0.131 0.000 0.875 222 E CB 0.860 30.544 29.700 -0.027 0.000 0.859 222 E HN 0.561 nan 8.360 nan 0.000 0.498 223 G N 1.929 110.673 108.800 -0.094 0.000 2.642 223 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.231 223 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.231 223 G C 0.075 174.954 174.900 -0.034 0.000 1.338 223 G CA -0.077 44.985 45.100 -0.064 0.000 0.883 223 G HN 0.139 nan 8.290 nan 0.000 0.570 224 D N 0.324 120.706 120.400 -0.030 0.000 2.265 224 D HA 0.020 4.660 4.640 -0.000 0.000 0.208 224 D C 2.712 179.003 176.300 -0.015 0.000 0.977 224 D CA 2.056 56.044 54.000 -0.020 0.000 0.871 224 D CB -0.656 40.130 40.800 -0.024 0.000 0.925 224 D HN 0.950 nan 8.370 nan 0.000 0.485 225 A N 1.022 123.829 122.820 -0.020 0.000 1.927 225 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 225 A C 2.345 179.928 177.584 -0.002 0.000 1.185 225 A CA 2.447 54.472 52.037 -0.020 0.000 0.639 225 A CB -0.709 18.277 19.000 -0.023 0.000 0.820 225 A HN 0.279 nan 8.150 nan 0.000 0.451 226 A N -0.482 122.359 122.820 0.036 0.000 1.898 226 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 226 A C 2.172 179.828 177.584 0.119 0.000 1.181 226 A CA 1.443 53.550 52.037 0.117 0.000 0.620 226 A CB -0.548 18.535 19.000 0.137 0.000 0.819 226 A HN 0.490 nan 8.150 nan 0.000 0.442 227 L N -0.900 120.354 121.223 0.052 0.000 2.056 227 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 227 L C 2.562 179.444 176.870 0.021 0.000 1.078 227 L CA 1.724 56.584 54.840 0.032 0.000 0.749 227 L CB -0.483 41.573 42.059 -0.005 0.000 0.901 227 L HN 0.327 nan 8.230 nan 0.000 0.433 228 K N -0.173 120.225 120.400 -0.005 0.000 2.057 228 K HA -0.242 4.078 4.320 -0.000 0.000 0.207 228 K C 2.172 178.736 176.600 -0.060 0.000 1.049 228 K CA 1.431 57.703 56.287 -0.024 0.000 0.931 228 K CB -0.132 32.350 32.500 -0.030 0.000 0.714 228 K HN 0.262 nan 8.250 nan 0.000 0.440 229 Q N -0.258 119.469 119.800 -0.122 0.000 2.079 229 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 229 Q C 0.907 176.673 176.000 -0.389 0.000 0.974 229 Q CA 1.553 57.169 55.803 -0.310 0.000 0.840 229 Q CB 0.113 28.568 28.738 -0.473 0.000 0.898 229 Q HN 0.368 nan 8.270 nan 0.000 0.430 230 Y N -0.357 119.982 120.300 0.066 0.000 2.458 230 Y HA 0.064 4.614 4.550 -0.000 0.000 0.256 230 Y C 1.327 177.294 175.900 0.112 0.000 1.159 230 Y CA -0.316 57.856 58.100 0.120 0.000 1.261 230 Y CB 0.237 38.769 38.460 0.121 0.000 1.119 230 Y HN 0.195 nan 8.280 nan 0.000 0.524 231 L N 2.040 123.345 121.223 0.137 0.000 1.997 231 L HA -0.164 4.176 4.340 -0.000 0.000 0.216 231 L C -0.842 176.108 176.870 0.133 0.000 1.074 231 L CA 2.329 57.227 54.840 0.096 0.000 0.763 231 L CB -1.563 40.522 42.059 0.044 0.000 0.890 231 L HN 0.006 nan 8.230 nan 0.000 0.434 232 P HA -0.163 nan 4.420 nan 0.000 0.216 232 P C 1.474 178.878 177.300 0.174 0.000 1.150 232 P CA 1.472 64.649 63.100 0.128 0.000 0.837 232 P CB -0.015 31.739 31.700 0.090 0.000 0.786 233 Q N -1.437 118.511 119.800 0.247 0.000 2.119 233 Q HA -0.024 4.316 4.340 -0.000 0.000 0.201 233 Q C 2.253 178.464 176.000 0.351 0.000 0.972 233 Q CA 1.395 57.362 55.803 0.272 0.000 0.847 233 Q CB -0.802 28.141 28.738 0.342 0.000 0.903 233 Q HN 0.242 nan 8.270 nan 0.000 0.433 234 M N 0.023 119.896 119.600 0.456 0.000 2.108 234 M HA -0.255 4.224 4.480 -0.000 0.000 0.261 234 M C 2.123 178.583 176.300 0.267 0.000 1.066 234 M CA 1.621 57.154 55.300 0.387 0.000 1.107 234 M CB -0.275 32.441 32.600 0.194 0.000 1.356 234 M HN 0.266 nan 8.290 nan 0.000 0.406 235 Q N -0.096 119.827 119.800 0.204 0.000 2.084 235 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 235 Q C 2.062 178.233 176.000 0.285 0.000 0.978 235 Q CA 1.316 57.259 55.803 0.234 0.000 0.844 235 Q CB -0.180 28.682 28.738 0.206 0.000 0.898 235 Q HN 0.200 nan 8.270 nan 0.000 0.426 236 K N 1.295 121.829 120.400 0.223 0.000 2.097 236 K HA -0.156 4.163 4.320 -0.000 0.000 0.205 236 K C 1.700 178.435 176.600 0.225 0.000 1.050 236 K CA 1.303 57.700 56.287 0.185 0.000 0.938 236 K CB -0.058 32.508 32.500 0.111 0.000 0.718 236 K HN 0.174 nan 8.250 nan 0.000 0.442 237 E N -1.105 119.254 120.200 0.265 0.000 2.077 237 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 237 E C 1.689 178.620 176.600 0.551 0.000 0.989 237 E CA 1.017 57.631 56.400 0.357 0.000 0.800 237 E CB -0.261 29.676 29.700 0.394 0.000 0.746 237 E HN 0.383 nan 8.360 nan 0.000 0.452 238 Y N 0.930 121.443 120.300 0.356 0.000 2.151 238 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 238 Y C 2.081 178.154 175.900 0.289 0.000 1.166 238 Y CA 1.697 59.996 58.100 0.331 0.000 1.163 238 Y CB -0.694 37.892 38.460 0.210 0.000 0.974 238 Y HN 0.121 nan 8.280 nan 0.000 0.511 239 A N -0.872 122.070 122.820 0.204 0.000 1.972 239 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 239 A C 2.158 179.770 177.584 0.046 0.000 1.169 239 A CA 1.663 53.738 52.037 0.064 0.000 0.635 239 A CB -1.502 17.569 19.000 0.118 0.000 0.810 239 A HN 0.723 nan 8.150 nan 0.000 0.446 240 Y N -1.137 119.152 120.300 -0.018 0.000 2.163 240 Y HA -0.222 4.328 4.550 -0.000 0.000 0.288 240 Y C 2.060 177.813 175.900 -0.244 0.000 1.136 240 Y CA 1.784 59.798 58.100 -0.142 0.000 1.147 240 Y CB -0.586 37.766 38.460 -0.180 0.000 0.987 240 Y HN 0.408 nan 8.280 nan 0.000 0.509 241 W N -0.112 121.116 121.300 -0.119 0.000 2.338 241 W HA -0.232 4.427 4.660 -0.000 0.000 0.304 241 W C 1.869 178.180 176.519 -0.348 0.000 1.212 241 W CA 1.155 58.337 57.345 -0.271 0.000 1.264 241 W CB -0.271 29.150 29.460 -0.066 0.000 1.142 241 W HN 0.068 nan 8.180 nan 0.000 0.512 242 M N 0.163 119.656 119.600 -0.179 0.000 2.494 242 M HA 0.098 4.577 4.480 -0.000 0.000 0.232 242 M C -0.266 175.907 176.300 -0.211 0.000 1.137 242 M CA 0.201 55.354 55.300 -0.246 0.000 1.012 242 M CB -1.725 30.629 32.600 -0.410 0.000 1.567 242 M HN -0.166 nan 8.290 nan 0.000 0.486 243 D N 1.117 121.382 120.400 -0.226 0.000 2.531 243 D HA 0.253 4.893 4.640 -0.000 0.000 0.239 243 D C 1.437 177.627 176.300 -0.184 0.000 1.144 243 D CA 2.103 55.993 54.000 -0.183 0.000 0.869 243 D CB 0.487 41.170 40.800 -0.196 0.000 1.160 243 D HN 0.571 nan 8.370 nan 0.000 0.484 244 G N 2.230 110.949 108.800 -0.134 0.000 2.217 244 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.246 244 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.246 244 G C 1.229 176.059 174.900 -0.116 0.000 0.990 244 G CA 0.310 45.335 45.100 -0.126 0.000 0.627 244 G HN 0.754 nan 8.290 nan 0.000 0.522 245 V N 1.112 120.953 119.914 -0.121 0.000 2.324 245 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 245 V C 2.643 178.693 176.094 -0.074 0.000 1.060 245 V CA 3.408 65.646 62.300 -0.103 0.000 1.042 245 V CB -0.292 31.469 31.823 -0.103 0.000 0.650 245 V HN 0.601 nan 8.190 nan 0.000 0.450 246 E N 0.696 120.859 120.200 -0.061 0.000 2.171 246 E HA -0.165 4.185 4.350 -0.000 0.000 0.197 246 E C 1.596 178.170 176.600 -0.043 0.000 0.997 246 E CA 1.636 58.010 56.400 -0.043 0.000 0.810 246 E CB -0.262 29.417 29.700 -0.034 0.000 0.738 246 E HN 0.662 nan 8.360 nan 0.000 0.467 247 N N -0.131 118.538 118.700 -0.052 0.000 2.204 247 N HA 0.074 4.814 4.740 -0.000 0.000 0.219 247 N C -0.512 174.965 175.510 -0.055 0.000 1.151 247 N CA -0.216 52.805 53.050 -0.047 0.000 0.867 247 N CB 0.650 39.110 38.487 -0.045 0.000 1.043 247 N HN 0.102 nan 8.380 nan 0.000 0.516 248 L N 2.534 123.718 121.223 -0.066 0.000 2.319 248 L HA 0.187 4.527 4.340 -0.000 0.000 0.280 248 L C 0.066 176.901 176.870 -0.058 0.000 1.099 248 L CA -0.072 54.723 54.840 -0.074 0.000 0.828 248 L CB 0.618 42.620 42.059 -0.095 0.000 1.150 248 L HN -0.062 nan 8.230 nan 0.000 0.442 249 Q N 3.585 123.354 119.800 -0.051 0.000 2.306 249 Q HA 0.449 4.788 4.340 -0.000 0.000 0.241 249 Q C -0.072 175.904 176.000 -0.040 0.000 0.948 249 Q CA -0.173 55.606 55.803 -0.039 0.000 0.886 249 Q CB 1.026 29.747 28.738 -0.029 0.000 1.227 249 Q HN 0.813 nan 8.270 nan 0.000 0.457 250 A N 0.405 123.206 122.820 -0.031 0.000 2.498 250 A HA 0.422 4.742 4.320 -0.000 0.000 0.239 250 A C 1.166 178.737 177.584 -0.022 0.000 1.068 250 A CA 0.785 52.804 52.037 -0.031 0.000 0.766 250 A CB -0.444 18.545 19.000 -0.019 0.000 1.003 250 A HN 1.042 nan 8.150 nan 0.000 0.497 251 G N 0.657 109.443 108.800 -0.025 0.000 2.159 251 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.256 251 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.256 251 G C 0.143 175.034 174.900 -0.016 0.000 0.977 251 G CA 0.757 45.857 45.100 -0.000 0.000 0.652 251 G HN 0.962 nan 8.290 nan 0.000 0.531 252 Q N -1.082 118.691 119.800 -0.044 0.000 2.445 252 Q HA 0.715 5.055 4.340 -0.000 0.000 0.281 252 Q C -0.565 175.379 176.000 -0.093 0.000 1.101 252 Q CA -0.860 54.908 55.803 -0.059 0.000 0.833 252 Q CB 1.405 30.108 28.738 -0.059 0.000 1.416 252 Q HN 0.319 nan 8.270 nan 0.000 0.451 253 Q N 0.349 120.078 119.800 -0.118 0.000 2.451 253 Q HA 0.524 4.864 4.340 -0.000 0.000 0.281 253 Q C -1.768 174.086 176.000 -0.244 0.000 1.099 253 Q CA -0.859 54.839 55.803 -0.175 0.000 0.806 253 Q CB 2.381 31.019 28.738 -0.167 0.000 1.419 253 Q HN 0.521 nan 8.270 nan 0.000 0.427 254 E N -0.848 119.147 120.200 -0.341 0.000 2.388 254 E HA 0.492 4.842 4.350 -0.000 0.000 0.289 254 E C -0.916 175.297 176.600 -0.645 0.000 0.944 254 E CA -0.934 55.191 56.400 -0.459 0.000 0.792 254 E CB 1.265 30.786 29.700 -0.299 0.000 1.239 254 E HN 0.486 nan 8.360 nan 0.000 0.412 255 K N 0.953 120.704 120.400 -1.083 0.000 1.770 255 K HA -0.364 3.956 4.320 -0.000 0.000 0.116 255 K C 0.607 176.645 176.600 -0.937 0.000 1.151 255 K CA 2.248 57.699 56.287 -1.393 0.000 0.383 255 K CB -0.752 31.328 32.500 -0.699 0.000 0.607 255 K HN 0.678 nan 8.250 nan 0.000 0.907 256 R N 0.668 120.856 120.500 -0.520 0.000 2.334 256 R HA 0.195 4.535 4.340 -0.000 0.000 0.220 256 R C -0.475 175.721 176.300 -0.174 0.000 0.917 256 R CA -0.052 55.899 56.100 -0.248 0.000 1.073 256 R CB 0.507 30.663 30.300 -0.239 0.000 1.056 256 R HN 0.047 nan 8.270 nan 0.000 0.506 257 V N 1.302 121.069 119.914 -0.245 0.000 2.555 257 V HA 0.391 4.511 4.120 -0.000 0.000 0.302 257 V C -0.212 175.773 176.094 -0.180 0.000 1.038 257 V CA -1.060 61.131 62.300 -0.182 0.000 0.887 257 V CB 1.943 33.655 31.823 -0.184 0.000 0.991 257 V HN -0.034 nan 8.190 nan 0.000 0.434 258 V N 2.263 122.092 119.914 -0.141 0.000 2.680 258 V HA 0.752 4.872 4.120 -0.000 0.000 0.309 258 V C -0.720 175.295 176.094 -0.132 0.000 1.052 258 V CA -0.798 61.422 62.300 -0.135 0.000 0.908 258 V CB 1.769 33.522 31.823 -0.116 0.000 1.001 258 V HN 0.904 nan 8.190 nan 0.000 0.431 259 K N 5.149 125.475 120.400 -0.124 0.000 2.483 259 K HA 0.617 4.937 4.320 -0.000 0.000 0.256 259 K C -0.811 175.714 176.600 -0.124 0.000 0.961 259 K CA -0.751 55.466 56.287 -0.117 0.000 0.873 259 K CB 1.441 33.887 32.500 -0.090 0.000 1.107 259 K HN 0.909 nan 8.250 nan 0.000 0.432 260 L N 3.008 124.122 121.223 -0.181 0.000 2.475 260 L HA 0.115 4.455 4.340 -0.000 0.000 0.250 260 L C 1.704 178.517 176.870 -0.096 0.000 1.224 260 L CA -0.177 54.543 54.840 -0.200 0.000 0.821 260 L CB 0.468 42.251 42.059 -0.459 0.000 1.141 260 L HN 0.734 nan 8.230 nan 0.000 0.494 261 Q N 0.380 120.157 119.800 -0.038 0.000 2.224 261 Q HA -0.173 4.166 4.340 -0.000 0.000 0.203 261 Q C 0.857 176.865 176.000 0.013 0.000 0.970 261 Q CA 1.421 57.231 55.803 0.012 0.000 0.865 261 Q CB -0.047 28.727 28.738 0.060 0.000 0.922 261 Q HN 0.696 nan 8.270 nan 0.000 0.445 262 D N -1.394 119.017 120.400 0.018 0.000 2.319 262 D HA 0.039 4.679 4.640 -0.000 0.000 0.230 262 D C 1.047 177.356 176.300 0.015 0.000 1.094 262 D CA 0.758 54.782 54.000 0.039 0.000 0.856 262 D CB 0.142 41.000 40.800 0.096 0.000 0.915 262 D HN 0.271 nan 8.370 nan 0.000 0.517 263 G N -0.296 108.492 108.800 -0.019 0.000 2.176 263 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.253 263 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.253 263 G C 0.457 175.335 174.900 -0.037 0.000 0.979 263 G CA 0.256 45.341 45.100 -0.025 0.000 0.641 263 G HN 0.452 nan 8.290 nan 0.000 0.530 264 T N 1.561 116.082 114.554 -0.056 0.000 2.908 264 T HA 0.417 4.767 4.350 -0.000 0.000 0.301 264 T C 0.606 175.241 174.700 -0.109 0.000 1.019 264 T CA 0.384 62.444 62.100 -0.066 0.000 1.152 264 T CB 0.948 69.757 68.868 -0.100 0.000 0.966 264 T HN 0.339 nan 8.240 nan 0.000 0.540 265 L N 4.788 125.975 121.223 -0.060 0.000 2.287 265 L HA 0.592 4.932 4.340 -0.000 0.000 0.287 265 L C -0.262 176.573 176.870 -0.059 0.000 1.022 265 L CA -0.544 54.258 54.840 -0.063 0.000 0.814 265 L CB 0.786 42.829 42.059 -0.027 0.000 1.217 265 L HN 0.434 nan 8.230 nan 0.000 0.420 266 L N 2.949 124.117 121.223 -0.091 0.000 2.341 266 L HA 0.529 4.869 4.340 -0.000 0.000 0.254 266 L C -0.833 175.983 176.870 -0.090 0.000 1.040 266 L CA -0.808 53.982 54.840 -0.083 0.000 0.837 266 L CB 2.510 44.505 42.059 -0.107 0.000 1.425 266 L HN 0.483 nan 8.230 nan 0.000 0.414 267 N N -0.349 118.292 118.700 -0.100 0.000 2.432 267 N HA 0.753 5.493 4.740 -0.000 0.000 0.292 267 N C -1.337 174.086 175.510 -0.144 0.000 1.193 267 N CA -0.906 52.081 53.050 -0.104 0.000 0.878 267 N CB 1.644 40.079 38.487 -0.086 0.000 1.252 267 N HN 0.484 nan 8.380 nan 0.000 0.520 268 R N -0.593 119.835 120.500 -0.119 0.000 2.855 268 R HA 0.486 4.826 4.340 -0.000 0.000 0.266 268 R C -1.387 174.849 176.300 -0.107 0.000 1.034 268 R CA -0.793 55.228 56.100 -0.132 0.000 0.944 268 R CB 0.547 30.832 30.300 -0.025 0.000 1.219 268 R HN 0.354 nan 8.270 nan 0.000 0.474 269 Y N 0.347 120.686 120.300 0.064 0.000 2.304 269 Y HA 0.363 4.913 4.550 -0.000 0.000 0.327 269 Y C -0.149 175.847 175.900 0.160 0.000 1.209 269 Y CA 0.221 58.378 58.100 0.095 0.000 1.299 269 Y CB 1.143 39.546 38.460 -0.095 0.000 1.249 269 Y HN 0.441 nan 8.280 nan 0.000 0.519 270 W N 4.109 125.458 121.300 0.081 0.000 3.707 270 W HA 0.213 4.873 4.660 -0.000 0.000 0.294 270 W C -2.229 174.276 176.519 -0.023 0.000 1.248 270 W CA -0.696 56.638 57.345 -0.019 0.000 1.217 270 W CB 2.162 31.571 29.460 -0.086 0.000 1.306 270 W HN 0.531 nan 8.180 nan 0.000 0.532 271 D N 2.839 122.893 120.400 -0.577 0.000 2.350 271 D HA 0.163 4.803 4.640 -0.000 0.000 0.245 271 D C 0.227 176.134 176.300 -0.655 0.000 1.036 271 D CA -0.133 53.626 54.000 -0.402 0.000 0.848 271 D CB 1.903 42.558 40.800 -0.243 0.000 1.307 271 D HN 0.301 nan 8.370 nan 0.000 0.469 272 D N 1.766 122.034 120.400 -0.219 0.000 2.363 272 D HA 0.035 4.675 4.640 -0.000 0.000 0.220 272 D C 0.393 176.645 176.300 -0.081 0.000 0.994 272 D CA 0.550 54.519 54.000 -0.052 0.000 0.890 272 D CB 0.537 41.391 40.800 0.090 0.000 0.906 272 D HN 0.190 nan 8.370 nan 0.000 0.530 273 R N 0.629 121.055 120.500 -0.123 0.000 2.720 273 R HA 0.271 4.611 4.340 -0.000 0.000 0.272 273 R C -0.289 175.952 176.300 -0.099 0.000 0.991 273 R CA -0.523 55.537 56.100 -0.067 0.000 1.010 273 R CB 1.060 31.349 30.300 -0.019 0.000 1.141 273 R HN -0.099 nan 8.270 nan 0.000 0.494 274 D N -0.491 119.892 120.400 -0.028 0.000 2.895 274 D HA 0.058 4.698 4.640 -0.000 0.000 0.350 274 D C -0.527 175.854 176.300 0.135 0.000 1.389 274 D CA -0.388 53.626 54.000 0.022 0.000 0.812 274 D CB 0.386 41.190 40.800 0.007 0.000 1.164 274 D HN 0.504 nan 8.370 nan 0.000 0.455 275 T N -4.100 110.458 114.554 0.008 0.000 2.888 275 T HA 0.693 5.043 4.350 -0.000 0.000 0.288 275 T C -3.027 171.332 174.700 -0.569 0.000 1.063 275 T CA -2.361 59.596 62.100 -0.238 0.000 1.010 275 T CB 1.716 70.517 68.868 -0.110 0.000 1.214 275 T HN -0.296 nan 8.240 nan 0.000 0.533 276 P HA 0.254 nan 4.420 nan 0.000 0.269 276 P C -0.415 176.767 177.300 -0.196 0.000 1.209 276 P CA -0.372 62.207 63.100 -0.868 0.000 0.776 276 P CB 0.298 31.193 31.700 -1.341 0.000 0.876 277 R N 4.886 125.384 120.500 -0.002 0.000 2.401 277 R HA 0.067 4.407 4.340 -0.000 0.000 0.299 277 R C -1.523 174.955 176.300 0.296 0.000 1.064 277 R CA -1.063 55.129 56.100 0.154 0.000 1.000 277 R CB -0.319 30.090 30.300 0.183 0.000 0.973 277 R HN 0.428 nan 8.270 nan 0.000 0.438 278 P HA -0.251 nan 4.420 nan 0.000 0.216 278 P C 0.912 178.321 177.300 0.182 0.000 1.153 278 P CA 1.283 64.544 63.100 0.268 0.000 0.858 278 P CB 0.201 31.749 31.700 -0.254 0.000 0.789 279 E N -0.937 119.162 120.200 -0.170 0.000 2.482 279 E HA 0.004 4.354 4.350 -0.000 0.000 0.196 279 E C 0.204 176.863 176.600 0.099 0.000 1.047 279 E CA 0.875 57.175 56.400 -0.168 0.000 0.869 279 E CB -0.492 28.983 29.700 -0.376 0.000 0.836 279 E HN 0.084 nan 8.360 nan 0.000 0.520 280 S N 0.781 116.600 115.700 0.199 0.000 2.794 280 S HA 0.121 4.591 4.470 -0.000 0.000 0.244 280 S C 0.161 174.919 174.600 0.264 0.000 1.045 280 S CA -0.830 57.515 58.200 0.241 0.000 1.114 280 S CB -0.377 62.985 63.200 0.269 0.000 1.085 280 S HN 0.373 nan 8.310 nan 0.000 0.488 281 W N 2.225 123.575 121.300 0.082 0.000 2.353 281 W HA -0.208 4.452 4.660 -0.000 0.000 0.319 281 W C 1.874 178.423 176.519 0.050 0.000 1.207 281 W CA 2.183 59.569 57.345 0.069 0.000 1.291 281 W CB -0.423 29.085 29.460 0.080 0.000 1.159 281 W HN 0.343 nan 8.180 nan 0.000 0.478 282 V N -0.130 119.931 119.914 0.245 0.000 2.407 282 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 282 V C 1.879 178.007 176.094 0.058 0.000 1.055 282 V CA 2.406 64.772 62.300 0.109 0.000 1.049 282 V CB -1.116 30.787 31.823 0.134 0.000 0.662 282 V HN 0.059 nan 8.190 nan 0.000 0.455 283 E N 1.108 121.370 120.200 0.104 0.000 2.038 283 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 283 E C 2.006 178.648 176.600 0.070 0.000 1.000 283 E CA 1.897 58.359 56.400 0.103 0.000 0.803 283 E CB -0.504 29.295 29.700 0.165 0.000 0.750 283 E HN 0.653 nan 8.360 nan 0.000 0.448 284 D N 0.133 120.572 120.400 0.066 0.000 2.123 284 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 284 D C 1.963 178.324 176.300 0.101 0.000 0.992 284 D CA 0.854 54.897 54.000 0.073 0.000 0.833 284 D CB -0.217 40.602 40.800 0.032 0.000 0.954 284 D HN 0.187 nan 8.370 nan 0.000 0.455 285 I N 0.968 121.512 120.570 -0.043 0.000 2.226 285 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 285 I C 2.435 178.569 176.117 0.028 0.000 1.100 285 I CA 1.076 62.370 61.300 -0.012 0.000 1.374 285 I CB -0.182 37.708 38.000 -0.184 0.000 1.057 285 I HN -0.065 nan 8.210 nan 0.000 0.413 286 A N 0.285 123.113 122.820 0.014 0.000 1.898 286 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 286 A C 2.387 179.973 177.584 0.004 0.000 1.181 286 A CA 2.346 54.391 52.037 0.014 0.000 0.620 286 A CB -1.115 17.898 19.000 0.023 0.000 0.819 286 A HN 0.369 nan 8.150 nan 0.000 0.442 287 T N 0.526 115.083 114.554 0.006 0.000 2.635 287 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 287 T C 2.199 176.866 174.700 -0.055 0.000 1.040 287 T CA 2.017 64.101 62.100 -0.027 0.000 1.156 287 T CB -0.524 68.315 68.868 -0.049 0.000 0.863 287 T HN 0.614 nan 8.240 nan 0.000 0.430 288 A N 1.158 123.941 122.820 -0.062 0.000 1.930 288 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 288 A C 2.201 179.717 177.584 -0.113 0.000 1.175 288 A CA 1.824 53.759 52.037 -0.170 0.000 0.627 288 A CB -0.519 18.240 19.000 -0.403 0.000 0.815 288 A HN 0.492 nan 8.150 nan 0.000 0.443 289 K N 0.617 120.984 120.400 -0.055 0.000 2.147 289 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 289 K C 1.846 178.425 176.600 -0.036 0.000 1.049 289 K CA 1.599 57.864 56.287 -0.037 0.000 0.936 289 K CB -0.160 32.333 32.500 -0.011 0.000 0.722 289 K HN 0.599 nan 8.250 nan 0.000 0.446 290 S N -0.029 115.650 115.700 -0.034 0.000 2.607 290 S HA -0.019 4.451 4.470 -0.000 0.000 0.224 290 S C 0.446 175.026 174.600 -0.033 0.000 0.969 290 S CA -0.042 58.142 58.200 -0.026 0.000 0.927 290 S CB -0.017 63.171 63.200 -0.019 0.000 0.772 290 S HN 0.203 nan 8.310 nan 0.000 0.533 291 N N 1.658 120.329 118.700 -0.050 0.000 2.762 291 N HA 0.394 5.134 4.740 -0.000 0.000 0.252 291 N C -2.858 172.618 175.510 -0.057 0.000 1.269 291 N CA -2.034 50.986 53.050 -0.050 0.000 0.799 291 N CB 1.481 39.932 38.487 -0.059 0.000 1.173 291 N HN -0.002 nan 8.380 nan 0.000 0.516 292 P HA 0.136 nan 4.420 nan 0.000 0.242 292 P C 0.355 177.633 177.300 -0.037 0.000 1.197 292 P CA 0.616 63.692 63.100 -0.041 0.000 0.765 292 P CB 0.124 31.808 31.700 -0.027 0.000 0.936 293 N N -0.500 118.179 118.700 -0.035 0.000 2.494 293 N HA 0.015 4.755 4.740 -0.000 0.000 0.182 293 N C 0.385 175.873 175.510 -0.037 0.000 1.076 293 N CA 0.214 53.246 53.050 -0.030 0.000 0.908 293 N CB 0.105 38.578 38.487 -0.024 0.000 0.967 293 N HN 0.147 nan 8.380 nan 0.000 0.449 294 R N 0.471 120.938 120.500 -0.055 0.000 2.744 294 R HA 0.391 4.731 4.340 -0.000 0.000 0.279 294 R C -2.812 173.435 176.300 -0.089 0.000 0.977 294 R CA -1.848 54.214 56.100 -0.065 0.000 0.906 294 R CB 1.368 31.623 30.300 -0.074 0.000 1.197 294 R HN -0.154 nan 8.270 nan 0.000 0.463 295 P HA -0.036 nan 4.420 nan 0.000 0.265 295 P C 0.090 177.278 177.300 -0.185 0.000 1.193 295 P CA 0.271 63.312 63.100 -0.098 0.000 0.765 295 P CB 0.820 32.482 31.700 -0.063 0.000 0.823 296 A N 3.347 126.021 122.820 -0.244 0.000 1.940 296 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 296 A C 2.036 179.203 177.584 -0.696 0.000 1.176 296 A CA 2.476 54.189 52.037 -0.541 0.000 0.631 296 A CB -1.906 16.800 19.000 -0.490 0.000 0.814 296 A HN 0.631 nan 8.150 nan 0.000 0.446 297 T N -1.639 112.752 114.554 -0.272 0.000 2.759 297 T HA -0.194 4.156 4.350 -0.000 0.000 0.269 297 T C 1.560 176.200 174.700 -0.099 0.000 1.042 297 T CA 1.611 63.673 62.100 -0.063 0.000 1.140 297 T CB -0.478 68.403 68.868 0.022 0.000 0.864 297 T HN 0.670 nan 8.240 nan 0.000 0.455 298 E N 0.856 120.977 120.200 -0.131 0.000 2.072 298 E HA 0.026 4.376 4.350 -0.000 0.000 0.191 298 E C 2.235 178.758 176.600 -0.128 0.000 0.985 298 E CA 1.051 57.392 56.400 -0.099 0.000 0.801 298 E CB -0.301 29.357 29.700 -0.071 0.000 0.750 298 E HN 0.538 nan 8.360 nan 0.000 0.452 299 I N 0.501 120.941 120.570 -0.217 0.000 2.202 299 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 299 I C 2.075 178.114 176.117 -0.131 0.000 1.091 299 I CA 1.046 62.220 61.300 -0.209 0.000 1.368 299 I CB -0.274 37.551 38.000 -0.291 0.000 1.058 299 I HN 0.097 nan 8.210 nan 0.000 0.410 300 Y N 0.673 120.923 120.300 -0.083 0.000 2.165 300 Y HA -0.286 4.264 4.550 -0.000 0.000 0.286 300 Y C 2.706 178.547 175.900 -0.098 0.000 1.155 300 Y CA 1.421 59.471 58.100 -0.083 0.000 1.164 300 Y CB -1.062 37.345 38.460 -0.089 0.000 0.978 300 Y HN 0.118 nan 8.280 nan 0.000 0.513 301 R N 0.601 121.104 120.500 0.004 0.000 2.096 301 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 301 R C 1.630 177.834 176.300 -0.161 0.000 1.127 301 R CA 1.912 57.917 56.100 -0.158 0.000 0.968 301 R CB -0.392 29.751 30.300 -0.261 0.000 0.861 301 R HN 0.198 nan 8.270 nan 0.000 0.440 302 D N 0.064 120.407 120.400 -0.095 0.000 2.149 302 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 302 D C 1.916 178.203 176.300 -0.021 0.000 0.972 302 D CA 1.083 55.037 54.000 -0.075 0.000 0.835 302 D CB -0.045 40.724 40.800 -0.052 0.000 0.966 302 D HN 0.264 nan 8.370 nan 0.000 0.476 303 L N 0.511 121.760 121.223 0.042 0.000 1.989 303 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 303 L C 2.630 179.641 176.870 0.235 0.000 1.071 303 L CA 1.271 56.230 54.840 0.199 0.000 0.749 303 L CB -0.291 41.869 42.059 0.169 0.000 0.890 303 L HN -0.080 nan 8.230 nan 0.000 0.431 304 R N -0.637 119.924 120.500 0.102 0.000 2.096 304 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 304 R C 2.482 178.764 176.300 -0.031 0.000 1.127 304 R CA 1.545 57.676 56.100 0.052 0.000 0.968 304 R CB -0.351 29.945 30.300 -0.006 0.000 0.861 304 R HN 0.263 nan 8.270 nan 0.000 0.440 305 S N 0.568 116.208 115.700 -0.100 0.000 2.383 305 S HA -0.090 4.380 4.470 -0.000 0.000 0.227 305 S C 2.039 176.481 174.600 -0.262 0.000 1.026 305 S CA 1.071 59.184 58.200 -0.144 0.000 0.981 305 S CB -0.069 63.042 63.200 -0.150 0.000 0.818 305 S HN 0.471 nan 8.310 nan 0.000 0.472 306 A N 1.715 124.368 122.820 -0.278 0.000 1.902 306 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 306 A C 2.362 179.774 177.584 -0.288 0.000 1.181 306 A CA 1.672 53.478 52.037 -0.385 0.000 0.623 306 A CB -1.101 17.896 19.000 -0.005 0.000 0.818 306 A HN 0.507 nan 8.150 nan 0.000 0.443 307 A N -0.038 122.684 122.820 -0.162 0.000 1.908 307 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 307 A C 2.483 179.941 177.584 -0.209 0.000 1.181 307 A CA 2.158 54.094 52.037 -0.167 0.000 0.627 307 A CB -1.027 17.972 19.000 -0.002 0.000 0.818 307 A HN 1.138 nan 8.150 nan 0.000 0.445 308 A N 0.261 122.963 122.820 -0.197 0.000 1.978 308 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 308 A C 2.399 179.611 177.584 -0.619 0.000 1.170 308 A CA 2.231 54.146 52.037 -0.203 0.000 0.636 308 A CB -0.843 18.156 19.000 -0.000 0.000 0.810 308 A HN 1.066 nan 8.150 nan 0.000 0.448 309 S N -2.309 112.811 115.700 -0.965 0.000 2.522 309 S HA 0.337 4.807 4.470 -0.000 0.000 0.227 309 S C 1.634 175.654 174.600 -0.967 0.000 0.986 309 S CA 1.156 58.399 58.200 -1.595 0.000 0.929 309 S CB -0.231 62.332 63.200 -1.061 0.000 0.769 309 S HN 1.879 nan 8.310 nan 0.000 0.529 310 G N 0.288 108.671 108.800 -0.694 0.000 2.320 310 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.242 310 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.242 310 G C -0.116 174.324 174.900 -0.768 0.000 1.033 310 G CA 0.101 44.826 45.100 -0.625 0.000 0.620 310 G HN 0.535 nan 8.290 nan 0.000 0.517 311 W N 3.863 124.610 121.300 -0.921 0.000 1.603 311 W HA 0.505 5.165 4.660 -0.000 0.000 0.392 311 W C -0.053 176.282 176.519 -0.307 0.000 0.661 311 W CA -0.830 55.980 57.345 -0.892 0.000 2.021 311 W CB -0.000 29.349 29.460 -0.184 0.000 1.759 311 W HN 0.325 nan 8.180 nan 0.000 0.334 312 D N 0.608 120.783 120.400 -0.375 0.000 2.443 312 D HA 0.306 4.946 4.640 -0.000 0.000 0.221 312 D C -0.478 175.627 176.300 -0.324 0.000 1.097 312 D CA -0.293 53.257 54.000 -0.751 0.000 0.865 312 D CB 0.441 40.585 40.800 -1.093 0.000 1.034 312 D HN -0.055 nan 8.370 nan 0.000 0.511 313 F N 0.360 120.580 119.950 0.450 0.000 2.679 313 F HA 0.637 5.164 4.527 -0.000 0.000 0.341 313 F C 0.433 176.512 175.800 0.466 0.000 1.095 313 F CA -1.087 57.176 58.000 0.439 0.000 1.004 313 F CB 2.081 41.286 39.000 0.342 0.000 1.388 313 F HN 0.266 nan 8.300 nan 0.000 0.505 314 S N -1.159 114.915 115.700 0.624 0.000 2.543 314 S HA 0.323 4.793 4.470 -0.000 0.000 0.274 314 S C 0.308 175.037 174.600 0.214 0.000 1.149 314 S CA -0.056 58.374 58.200 0.383 0.000 0.866 314 S CB 1.166 64.583 63.200 0.361 0.000 1.111 314 S HN 0.773 nan 8.310 nan 0.000 0.457 315 S N 3.286 119.075 115.700 0.149 0.000 2.419 315 S HA -0.159 4.311 4.470 -0.000 0.000 0.235 315 S C 1.797 176.389 174.600 -0.012 0.000 1.019 315 S CA 1.183 59.433 58.200 0.083 0.000 0.982 315 S CB -0.526 62.718 63.200 0.072 0.000 0.789 315 S HN 0.765 nan 8.310 nan 0.000 0.490 316 R N 0.387 120.794 120.500 -0.155 0.000 2.133 316 R HA -0.154 4.186 4.340 -0.000 0.000 0.247 316 R C 1.368 177.438 176.300 -0.383 0.000 1.151 316 R CA 2.134 57.974 56.100 -0.433 0.000 0.971 316 R CB -0.312 29.440 30.300 -0.913 0.000 0.866 316 R HN 0.720 nan 8.270 nan 0.000 0.447 317 W N -0.706 120.654 121.300 0.099 0.000 3.114 317 W HA 0.275 4.935 4.660 -0.000 0.000 0.279 317 W C 0.084 176.641 176.519 0.064 0.000 1.277 317 W CA -0.923 56.466 57.345 0.074 0.000 1.630 317 W CB 0.349 29.874 29.460 0.108 0.000 1.087 317 W HN -0.100 nan 8.180 nan 0.000 0.637 318 M N 1.276 121.007 119.600 0.219 0.000 2.300 318 M HA 0.155 4.635 4.480 -0.000 0.000 0.348 318 M C 0.603 176.959 176.300 0.093 0.000 1.151 318 M CA -0.300 55.092 55.300 0.152 0.000 1.046 318 M CB 1.527 34.207 32.600 0.134 0.000 1.647 318 M HN -0.183 nan 8.290 nan 0.000 0.451 319 D N 0.965 121.408 120.400 0.073 0.000 2.144 319 D HA -0.065 4.575 4.640 -0.000 0.000 0.200 319 D C 0.284 176.609 176.300 0.041 0.000 0.978 319 D CA 1.447 55.476 54.000 0.049 0.000 0.833 319 D CB 0.106 40.929 40.800 0.037 0.000 0.961 319 D HN 0.448 nan 8.370 nan 0.000 0.470 320 N N 0.272 118.997 118.700 0.042 0.000 2.443 320 N HA 0.119 4.859 4.740 -0.000 0.000 0.269 320 N C -2.283 173.255 175.510 0.046 0.000 0.985 320 N CA -1.960 51.111 53.050 0.036 0.000 0.921 320 N CB 2.243 40.746 38.487 0.027 0.000 1.195 320 N HN -0.214 nan 8.380 nan 0.000 0.492 321 P HA -0.023 nan 4.420 nan 0.000 0.239 321 P C 0.107 177.443 177.300 0.061 0.000 1.184 321 P CA 0.891 64.028 63.100 0.062 0.000 0.760 321 P CB 0.557 32.292 31.700 0.059 0.000 0.884 322 Q N -0.899 118.929 119.800 0.046 0.000 2.194 322 Q HA 0.180 4.520 4.340 -0.000 0.000 0.214 322 Q C 0.185 176.205 176.000 0.033 0.000 0.838 322 Q CA 0.351 56.179 55.803 0.042 0.000 0.972 322 Q CB 0.859 29.617 28.738 0.033 0.000 1.131 322 Q HN 0.369 nan 8.270 nan 0.000 0.498 323 Q N 1.093 120.911 119.800 0.030 0.000 2.394 323 Q HA 0.167 4.507 4.340 -0.000 0.000 0.261 323 Q C 0.571 176.576 176.000 0.009 0.000 1.023 323 Q CA -0.243 55.569 55.803 0.015 0.000 0.720 323 Q CB 1.970 30.713 28.738 0.009 0.000 1.241 323 Q HN 0.117 nan 8.270 nan 0.000 0.483 324 L N 3.963 125.179 121.223 -0.011 0.000 2.191 324 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 324 L C 1.387 178.209 176.870 -0.079 0.000 1.103 324 L CA 2.046 56.852 54.840 -0.056 0.000 0.769 324 L CB -0.211 41.766 42.059 -0.137 0.000 0.908 324 L HN 0.552 nan 8.230 nan 0.000 0.438 325 N N -1.549 117.114 118.700 -0.061 0.000 2.609 325 N HA -0.130 4.610 4.740 -0.000 0.000 0.190 325 N C 1.159 176.643 175.510 -0.044 0.000 1.157 325 N CA 1.160 54.169 53.050 -0.068 0.000 0.918 325 N CB -1.172 37.278 38.487 -0.062 0.000 0.978 325 N HN 0.526 nan 8.380 nan 0.000 0.448 326 T N -2.414 112.131 114.554 -0.015 0.000 3.145 326 T HA 0.187 4.537 4.350 -0.000 0.000 0.255 326 T C 0.695 175.416 174.700 0.035 0.000 1.039 326 T CA -0.857 61.247 62.100 0.007 0.000 0.928 326 T CB -0.743 68.136 68.868 0.019 0.000 1.029 326 T HN 0.369 nan 8.240 nan 0.000 0.554 327 L N 0.701 121.946 121.223 0.037 0.000 2.439 327 L HA 0.570 4.909 4.340 -0.000 0.000 0.269 327 L C 0.269 177.183 176.870 0.074 0.000 1.179 327 L CA -0.941 53.960 54.840 0.102 0.000 0.828 327 L CB 0.593 42.733 42.059 0.134 0.000 1.106 327 L HN 0.273 nan 8.230 nan 0.000 0.467 328 R N 0.827 121.397 120.500 0.117 0.000 2.718 328 R HA 0.238 4.578 4.340 -0.000 0.000 0.307 328 R C 0.214 176.557 176.300 0.072 0.000 1.244 328 R CA -0.194 55.948 56.100 0.071 0.000 1.348 328 R CB -0.198 30.138 30.300 0.061 0.000 1.304 328 R HN 0.790 nan 8.270 nan 0.000 0.663 329 T N 0.078 114.630 114.554 -0.004 0.000 2.649 329 T HA -0.278 4.072 4.350 -0.000 0.000 0.268 329 T C 1.889 176.541 174.700 -0.081 0.000 1.036 329 T CA 2.663 64.648 62.100 -0.192 0.000 1.157 329 T CB -0.348 68.231 68.868 -0.481 0.000 0.861 329 T HN 0.647 nan 8.240 nan 0.000 0.445 330 T N 0.467 115.020 114.554 -0.002 0.000 3.163 330 T HA 0.033 4.383 4.350 -0.000 0.000 0.260 330 T C 1.668 176.428 174.700 0.101 0.000 1.156 330 T CA 0.906 63.072 62.100 0.111 0.000 1.072 330 T CB -0.431 68.588 68.868 0.252 0.000 0.937 330 T HN 0.510 nan 8.240 nan 0.000 0.528 331 S N 0.055 115.796 115.700 0.068 0.000 2.568 331 S HA 0.451 4.921 4.470 -0.000 0.000 0.232 331 S C 0.097 174.724 174.600 0.046 0.000 0.975 331 S CA -0.865 57.362 58.200 0.046 0.000 0.949 331 S CB -0.427 62.792 63.200 0.032 0.000 0.829 331 S HN 0.543 nan 8.310 nan 0.000 0.479 332 I N 1.798 122.419 120.570 0.086 0.000 2.466 332 I HA 0.378 4.548 4.170 -0.000 0.000 0.289 332 I C -0.934 175.265 176.117 0.137 0.000 1.026 332 I CA -1.110 60.271 61.300 0.135 0.000 1.078 332 I CB 2.341 40.504 38.000 0.272 0.000 1.249 332 I HN -0.084 nan 8.210 nan 0.000 0.429 333 V N 8.399 128.401 119.914 0.146 0.000 2.389 333 V HA 0.236 4.356 4.120 -0.000 0.000 0.264 333 V C -2.225 173.934 176.094 0.109 0.000 1.049 333 V CA -1.524 60.839 62.300 0.106 0.000 0.932 333 V CB 0.563 32.465 31.823 0.132 0.000 1.011 333 V HN 0.524 nan 8.190 nan 0.000 0.475 334 P HA 0.188 nan 4.420 nan 0.000 0.285 334 P C 0.658 177.937 177.300 -0.034 0.000 1.259 334 P CA -0.101 63.035 63.100 0.059 0.000 0.794 334 P CB 1.727 33.503 31.700 0.126 0.000 0.940 335 V N 2.736 122.629 119.914 -0.034 0.000 2.719 335 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 335 V C 1.420 177.450 176.094 -0.107 0.000 1.065 335 V CA 2.254 64.544 62.300 -0.017 0.000 1.086 335 V CB -0.895 30.974 31.823 0.077 0.000 0.700 335 V HN 0.547 nan 8.190 nan 0.000 0.467 336 D N 0.329 120.563 120.400 -0.276 0.000 2.084 336 D HA -0.227 4.413 4.640 -0.000 0.000 0.196 336 D C 2.038 178.101 176.300 -0.395 0.000 0.985 336 D CA 1.834 55.453 54.000 -0.634 0.000 0.826 336 D CB -0.960 39.008 40.800 -1.386 0.000 0.978 336 D HN 0.435 nan 8.370 nan 0.000 0.456 337 L N 1.002 122.040 121.223 -0.308 0.000 2.012 337 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 337 L C 1.656 178.342 176.870 -0.307 0.000 1.073 337 L CA 1.845 56.459 54.840 -0.377 0.000 0.748 337 L CB -0.935 40.718 42.059 -0.677 0.000 0.891 337 L HN -0.011 nan 8.230 nan 0.000 0.431 338 N N -0.968 117.609 118.700 -0.205 0.000 2.309 338 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 338 N C 1.750 177.240 175.510 -0.034 0.000 1.018 338 N CA 1.270 54.251 53.050 -0.115 0.000 0.876 338 N CB 0.015 38.461 38.487 -0.069 0.000 0.972 338 N HN 0.410 nan 8.380 nan 0.000 0.434 339 S N 1.365 117.057 115.700 -0.014 0.000 2.368 339 S HA 0.039 4.509 4.470 -0.000 0.000 0.224 339 S C 2.160 176.826 174.600 0.110 0.000 1.029 339 S CA 0.558 58.809 58.200 0.084 0.000 0.988 339 S CB -0.129 63.183 63.200 0.187 0.000 0.838 339 S HN 0.245 nan 8.310 nan 0.000 0.462 340 L N 0.770 121.993 121.223 -0.001 0.000 2.083 340 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 340 L C 2.494 179.263 176.870 -0.168 0.000 1.083 340 L CA 0.770 55.525 54.840 -0.141 0.000 0.752 340 L CB -0.485 41.393 42.059 -0.303 0.000 0.899 340 L HN 0.313 nan 8.230 nan 0.000 0.433 341 M N -0.988 118.520 119.600 -0.154 0.000 2.132 341 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 341 M C 2.359 178.664 176.300 0.008 0.000 1.065 341 M CA 1.624 56.861 55.300 -0.105 0.000 1.122 341 M CB -1.152 31.392 32.600 -0.093 0.000 1.365 341 M HN 0.188 nan 8.290 nan 0.000 0.411 342 F N 1.543 121.444 119.950 -0.082 0.000 2.095 342 F HA -0.277 4.250 4.527 -0.000 0.000 0.298 342 F C 2.398 178.142 175.800 -0.094 0.000 1.104 342 F CA 2.080 60.043 58.000 -0.062 0.000 1.232 342 F CB -0.308 38.665 39.000 -0.046 0.000 0.987 342 F HN 0.051 nan 8.300 nan 0.000 0.475 343 K N 0.391 120.727 120.400 -0.106 0.000 2.097 343 K HA -0.200 4.119 4.320 -0.000 0.000 0.206 343 K C 2.301 178.720 176.600 -0.302 0.000 1.049 343 K CA 1.754 57.888 56.287 -0.255 0.000 0.933 343 K CB -0.495 31.920 32.500 -0.141 0.000 0.717 343 K HN 0.474 nan 8.250 nan 0.000 0.442 344 M N 0.384 119.841 119.600 -0.240 0.000 2.086 344 M HA -0.224 4.256 4.480 -0.000 0.000 0.261 344 M C 1.547 177.635 176.300 -0.353 0.000 1.067 344 M CA 1.909 57.070 55.300 -0.233 0.000 1.116 344 M CB -0.092 32.429 32.600 -0.131 0.000 1.348 344 M HN 0.201 nan 8.290 nan 0.000 0.407 345 E N -0.101 119.874 120.200 -0.376 0.000 2.077 345 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 345 E C 2.008 178.364 176.600 -0.408 0.000 0.989 345 E CA 1.084 57.231 56.400 -0.422 0.000 0.800 345 E CB -0.045 29.503 29.700 -0.252 0.000 0.746 345 E HN 0.379 nan 8.360 nan 0.000 0.452 346 K N 0.614 120.715 120.400 -0.499 0.000 2.057 346 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 346 K C 2.148 178.563 176.600 -0.309 0.000 1.049 346 K CA 1.017 57.043 56.287 -0.436 0.000 0.931 346 K CB -0.315 31.850 32.500 -0.558 0.000 0.714 346 K HN 0.230 nan 8.250 nan 0.000 0.440 347 I N 0.946 121.331 120.570 -0.309 0.000 2.252 347 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 347 I C 2.316 178.267 176.117 -0.275 0.000 1.102 347 I CA 0.744 61.897 61.300 -0.244 0.000 1.385 347 I CB -0.255 37.619 38.000 -0.211 0.000 1.064 347 I HN 0.018 nan 8.210 nan 0.000 0.414 348 L N 0.557 121.528 121.223 -0.420 0.000 2.043 348 L HA -0.281 4.059 4.340 -0.000 0.000 0.212 348 L C 2.831 179.412 176.870 -0.482 0.000 1.075 348 L CA 1.594 56.039 54.840 -0.658 0.000 0.752 348 L CB -0.717 40.538 42.059 -1.340 0.000 0.891 348 L HN 0.284 nan 8.230 nan 0.000 0.432 349 A N -0.055 122.600 122.820 -0.275 0.000 1.877 349 A HA -0.258 4.061 4.320 -0.000 0.000 0.216 349 A C 2.394 179.946 177.584 -0.053 0.000 1.186 349 A CA 1.863 53.882 52.037 -0.030 0.000 0.620 349 A CB -0.593 18.401 19.000 -0.010 0.000 0.822 349 A HN 0.373 nan 8.150 nan 0.000 0.443 350 R N -0.322 120.118 120.500 -0.100 0.000 2.091 350 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 350 R C 2.240 178.502 176.300 -0.063 0.000 1.136 350 R CA 1.657 57.711 56.100 -0.077 0.000 0.959 350 R CB -0.439 29.806 30.300 -0.092 0.000 0.856 350 R HN 0.426 nan 8.270 nan 0.000 0.437 351 A N -0.046 122.722 122.820 -0.086 0.000 1.898 351 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 351 A C 2.188 179.757 177.584 -0.026 0.000 1.181 351 A CA 1.791 53.794 52.037 -0.058 0.000 0.620 351 A CB -0.514 18.442 19.000 -0.072 0.000 0.819 351 A HN 0.447 nan 8.150 nan 0.000 0.442 352 S N -0.374 115.318 115.700 -0.013 0.000 2.359 352 S HA -0.180 4.290 4.470 -0.000 0.000 0.224 352 S C 2.025 176.642 174.600 0.028 0.000 1.035 352 S CA 1.613 59.841 58.200 0.047 0.000 1.018 352 S CB -0.263 63.024 63.200 0.145 0.000 0.876 352 S HN 0.660 nan 8.310 nan 0.000 0.448 353 K N 1.356 121.764 120.400 0.014 0.000 2.026 353 K HA -0.074 4.246 4.320 -0.000 0.000 0.208 353 K C 2.265 178.863 176.600 -0.003 0.000 1.048 353 K CA 1.239 57.529 56.287 0.004 0.000 0.929 353 K CB -0.379 32.118 32.500 -0.005 0.000 0.713 353 K HN 0.308 nan 8.250 nan 0.000 0.439 354 A N 0.843 123.657 122.820 -0.010 0.000 1.978 354 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 354 A C 2.060 179.639 177.584 -0.008 0.000 1.170 354 A CA 1.813 53.842 52.037 -0.013 0.000 0.636 354 A CB -0.510 18.480 19.000 -0.018 0.000 0.810 354 A HN 0.457 nan 8.150 nan 0.000 0.448 355 A N -1.717 121.102 122.820 -0.002 0.000 2.259 355 A HA 0.423 4.743 4.320 -0.000 0.000 0.208 355 A C 1.714 179.301 177.584 0.004 0.000 1.201 355 A CA 1.078 53.116 52.037 0.001 0.000 0.824 355 A CB -1.056 17.950 19.000 0.009 0.000 0.838 355 A HN 1.870 nan 8.150 nan 0.000 0.485 356 G N -0.134 108.668 108.800 0.003 0.000 2.143 356 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 356 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 356 G C -0.446 174.459 174.900 0.008 0.000 0.991 356 G CA 0.251 45.353 45.100 0.003 0.000 0.689 356 G HN 0.502 nan 8.290 nan 0.000 0.522 357 D N 0.411 120.821 120.400 0.017 0.000 2.518 357 D HA 0.286 4.926 4.640 -0.000 0.000 0.230 357 D C 1.295 177.608 176.300 0.022 0.000 1.138 357 D CA -0.455 53.558 54.000 0.021 0.000 0.964 357 D CB 0.044 40.866 40.800 0.036 0.000 1.011 357 D HN 0.429 nan 8.370 nan 0.000 0.517 358 N N 0.935 119.642 118.700 0.011 0.000 2.188 358 N HA -0.152 4.588 4.740 -0.000 0.000 0.184 358 N C 1.864 177.376 175.510 0.004 0.000 1.018 358 N CA 1.148 54.203 53.050 0.008 0.000 0.858 358 N CB 0.196 38.684 38.487 0.002 0.000 0.989 358 N HN 0.303 nan 8.380 nan 0.000 0.426 359 A N 0.985 123.804 122.820 -0.002 0.000 1.898 359 A HA -0.103 4.216 4.320 -0.000 0.000 0.216 359 A C 2.160 179.727 177.584 -0.027 0.000 1.181 359 A CA 1.074 53.102 52.037 -0.014 0.000 0.620 359 A CB -0.567 18.423 19.000 -0.017 0.000 0.819 359 A HN 0.284 nan 8.150 nan 0.000 0.442 360 M N -0.224 119.367 119.600 -0.015 0.000 2.117 360 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 360 M C 2.262 178.570 176.300 0.013 0.000 1.065 360 M CA 1.714 56.995 55.300 -0.033 0.000 1.114 360 M CB -0.249 32.372 32.600 0.035 0.000 1.361 360 M HN 0.420 nan 8.290 nan 0.000 0.408 361 A N 0.811 123.676 122.820 0.074 0.000 1.917 361 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 361 A C 1.764 179.382 177.584 0.058 0.000 1.182 361 A CA 2.253 54.352 52.037 0.103 0.000 0.633 361 A CB -1.073 17.958 19.000 0.050 0.000 0.819 361 A HN 0.648 nan 8.150 nan 0.000 0.448 362 N N -0.173 118.532 118.700 0.008 0.000 2.120 362 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 362 N C 1.839 177.327 175.510 -0.036 0.000 1.024 362 N CA 1.343 54.388 53.050 -0.009 0.000 0.852 362 N CB -0.437 38.041 38.487 -0.015 0.000 1.003 362 N HN 0.500 nan 8.380 nan 0.000 0.424 363 Q N 0.055 119.799 119.800 -0.094 0.000 2.112 363 Q HA -0.145 4.195 4.340 -0.000 0.000 0.206 363 Q C 1.812 177.702 176.000 -0.182 0.000 0.987 363 Q CA 1.308 57.007 55.803 -0.173 0.000 0.858 363 Q CB -0.581 27.985 28.738 -0.286 0.000 0.905 363 Q HN 0.520 nan 8.270 nan 0.000 0.420 364 Y N 0.915 121.183 120.300 -0.053 0.000 2.242 364 Y HA -0.155 4.395 4.550 -0.000 0.000 0.291 364 Y C 2.457 178.297 175.900 -0.100 0.000 1.137 364 Y CA 1.222 59.262 58.100 -0.101 0.000 1.181 364 Y CB -0.293 38.079 38.460 -0.146 0.000 0.989 364 Y HN 0.141 nan 8.280 nan 0.000 0.527 365 E N -0.303 119.934 120.200 0.061 0.000 2.077 365 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 365 E C 2.152 178.768 176.600 0.026 0.000 0.989 365 E CA 1.997 58.407 56.400 0.016 0.000 0.800 365 E CB -0.324 29.381 29.700 0.009 0.000 0.746 365 E HN 0.328 nan 8.360 nan 0.000 0.452 366 T N 0.573 115.138 114.554 0.019 0.000 2.708 366 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 366 T C 1.849 176.577 174.700 0.047 0.000 1.037 366 T CA 1.310 63.424 62.100 0.025 0.000 1.146 366 T CB -0.281 68.588 68.868 0.002 0.000 0.865 366 T HN 0.113 nan 8.240 nan 0.000 0.435 367 L N 0.814 122.067 121.223 0.050 0.000 2.042 367 L HA -0.116 4.223 4.340 -0.000 0.000 0.210 367 L C 3.023 179.960 176.870 0.112 0.000 1.076 367 L CA 1.321 56.216 54.840 0.093 0.000 0.749 367 L CB -0.673 41.469 42.059 0.138 0.000 0.893 367 L HN 0.236 nan 8.230 nan 0.000 0.432 368 A N 0.090 122.955 122.820 0.075 0.000 1.902 368 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 368 A C 2.075 179.825 177.584 0.275 0.000 1.181 368 A CA 1.840 53.936 52.037 0.098 0.000 0.623 368 A CB -0.564 18.335 19.000 -0.169 0.000 0.818 368 A HN 0.433 nan 8.150 nan 0.000 0.443 369 N N 0.610 119.414 118.700 0.174 0.000 2.104 369 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 369 N C 1.844 177.431 175.510 0.129 0.000 1.024 369 N CA 1.641 54.785 53.050 0.158 0.000 0.853 369 N CB -0.592 37.950 38.487 0.092 0.000 1.008 369 N HN 0.483 nan 8.380 nan 0.000 0.424 370 A N 0.916 123.803 122.820 0.112 0.000 1.930 370 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 370 A C 2.300 179.946 177.584 0.104 0.000 1.175 370 A CA 1.463 53.555 52.037 0.090 0.000 0.627 370 A CB -0.392 18.653 19.000 0.076 0.000 0.815 370 A HN 0.196 nan 8.150 nan 0.000 0.443 371 R N -0.003 120.587 120.500 0.150 0.000 2.081 371 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 371 R C 2.333 178.690 176.300 0.095 0.000 1.131 371 R CA 2.093 58.287 56.100 0.156 0.000 0.960 371 R CB -0.614 29.843 30.300 0.262 0.000 0.856 371 R HN 0.678 nan 8.270 nan 0.000 0.436 372 Q N 0.304 120.155 119.800 0.085 0.000 2.084 372 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 372 Q C 1.571 177.541 176.000 -0.050 0.000 0.978 372 Q CA 1.826 57.547 55.803 -0.137 0.000 0.844 372 Q CB 0.020 28.655 28.738 -0.173 0.000 0.898 372 Q HN 0.331 nan 8.270 nan 0.000 0.426 373 K N -0.474 119.934 120.400 0.014 0.000 2.097 373 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 373 K C 2.068 178.693 176.600 0.042 0.000 1.049 373 K CA 1.104 57.401 56.287 0.017 0.000 0.933 373 K CB -0.319 32.200 32.500 0.030 0.000 0.717 373 K HN 0.385 nan 8.250 nan 0.000 0.442 374 G N 1.669 110.517 108.800 0.080 0.000 2.418 374 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 374 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 374 G C 1.536 176.529 174.900 0.155 0.000 1.158 374 G CA 0.645 45.838 45.100 0.155 0.000 0.771 374 G HN 0.135 nan 8.290 nan 0.000 0.545 375 I N 0.519 121.139 120.570 0.082 0.000 2.179 375 I HA -0.108 4.062 4.170 -0.000 0.000 0.242 375 I C 2.622 178.850 176.117 0.185 0.000 1.088 375 I CA 1.005 62.365 61.300 0.101 0.000 1.357 375 I CB -0.104 37.883 38.000 -0.021 0.000 1.051 375 I HN 0.101 nan 8.210 nan 0.000 0.409 376 E N 0.623 120.886 120.200 0.105 0.000 2.268 376 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 376 E C 1.923 178.556 176.600 0.055 0.000 0.995 376 E CA 0.905 57.362 56.400 0.094 0.000 0.836 376 E CB -0.015 29.667 29.700 -0.031 0.000 0.763 376 E HN 0.498 nan 8.360 nan 0.000 0.491 377 K N -0.504 119.889 120.400 -0.011 0.000 2.121 377 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 377 K C 1.250 177.684 176.600 -0.276 0.000 1.041 377 K CA 0.485 56.642 56.287 -0.217 0.000 0.969 377 K CB 0.170 32.414 32.500 -0.428 0.000 0.799 377 K HN -0.013 nan 8.250 nan 0.000 0.456 378 Y N -0.003 120.323 120.300 0.044 0.000 2.449 378 Y HA 0.266 4.815 4.550 -0.000 0.000 0.254 378 Y C 0.849 176.840 175.900 0.151 0.000 1.140 378 Y CA 0.089 58.188 58.100 -0.003 0.000 1.272 378 Y CB 0.761 39.033 38.460 -0.314 0.000 1.114 378 Y HN -0.045 nan 8.280 nan 0.000 0.525 379 L N -0.656 120.762 121.223 0.326 0.000 3.122 379 L HA 0.186 4.526 4.340 -0.000 0.000 0.274 379 L C -0.528 176.628 176.870 0.476 0.000 1.222 379 L CA -0.049 55.005 54.840 0.355 0.000 1.028 379 L CB 0.721 42.954 42.059 0.290 0.000 1.386 379 L HN 0.225 nan 8.230 nan 0.000 0.578 380 W N 1.675 123.059 121.300 0.139 0.000 2.656 380 W HA 0.344 5.004 4.660 -0.000 0.000 0.327 380 W C -1.181 175.297 176.519 -0.069 0.000 1.041 380 W CA -0.576 56.737 57.345 -0.054 0.000 1.229 380 W CB 1.606 30.940 29.460 -0.210 0.000 1.397 380 W HN -0.097 nan 8.180 nan 0.000 0.479 381 N N 4.921 123.118 118.700 -0.839 0.000 2.527 381 N HA -0.015 4.724 4.740 -0.000 0.000 0.236 381 N C 0.789 175.625 175.510 -1.123 0.000 0.999 381 N CA 0.101 52.711 53.050 -0.734 0.000 0.935 381 N CB 0.766 38.893 38.487 -0.600 0.000 1.132 381 N HN 0.462 nan 8.380 nan 0.000 0.511 382 D N 2.866 122.898 120.400 -0.614 0.000 2.144 382 D HA -0.225 4.415 4.640 -0.000 0.000 0.200 382 D C 1.269 177.384 176.300 -0.309 0.000 0.978 382 D CA 1.020 54.855 54.000 -0.275 0.000 0.833 382 D CB -0.026 40.807 40.800 0.055 0.000 0.961 382 D HN 0.475 nan 8.370 nan 0.000 0.470 383 Q N 0.119 119.727 119.800 -0.321 0.000 2.061 383 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 383 Q C 2.039 177.779 176.000 -0.433 0.000 0.984 383 Q CA 1.755 57.383 55.803 -0.292 0.000 0.846 383 Q CB -0.034 28.560 28.738 -0.240 0.000 0.902 383 Q HN 0.131 nan 8.270 nan 0.000 0.421 384 Q N -1.508 117.854 119.800 -0.729 0.000 2.354 384 Q HA 0.211 4.551 4.340 -0.000 0.000 0.203 384 Q C 0.645 175.945 176.000 -1.167 0.000 0.933 384 Q CA 0.948 56.069 55.803 -1.136 0.000 0.901 384 Q CB 0.639 28.246 28.738 -1.885 0.000 1.007 384 Q HN 0.540 nan 8.270 nan 0.000 0.495 385 G N 1.129 109.319 108.800 -1.018 0.000 2.248 385 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.252 385 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.252 385 G C -0.699 173.770 174.900 -0.718 0.000 1.085 385 G CA 0.315 45.007 45.100 -0.680 0.000 0.845 385 G HN 0.222 nan 8.290 nan 0.000 0.494 386 W N -2.318 118.268 121.300 -1.190 0.000 3.146 386 W HA 0.762 5.422 4.660 -0.000 0.000 0.319 386 W C -0.623 175.393 176.519 -0.838 0.000 1.258 386 W CA -3.208 53.643 57.345 -0.823 0.000 1.189 386 W CB 0.489 29.782 29.460 -0.277 0.000 1.412 386 W HN 0.102 nan 8.180 nan 0.000 0.567 387 Y N 1.918 122.352 120.300 0.224 0.000 2.379 387 Y HA 0.512 5.062 4.550 -0.000 0.000 0.337 387 Y C 0.885 176.915 175.900 0.217 0.000 1.238 387 Y CA 1.144 59.416 58.100 0.288 0.000 1.405 387 Y CB 0.829 39.490 38.460 0.335 0.000 1.310 387 Y HN 0.801 nan 8.280 nan 0.000 0.569 388 A N 1.184 124.203 122.820 0.331 0.000 2.566 388 A HA 0.437 4.757 4.320 -0.000 0.000 0.290 388 A C -1.565 176.118 177.584 0.165 0.000 1.071 388 A CA -1.104 51.054 52.037 0.201 0.000 0.658 388 A CB 0.886 20.002 19.000 0.193 0.000 1.285 388 A HN 0.567 nan 8.150 nan 0.000 0.427 389 D N -0.153 120.301 120.400 0.091 0.000 2.358 389 D HA 0.393 5.033 4.640 -0.000 0.000 0.244 389 D C -0.962 175.445 176.300 0.177 0.000 1.163 389 D CA 0.769 54.837 54.000 0.113 0.000 0.945 389 D CB 0.697 41.533 40.800 0.059 0.000 1.152 389 D HN 0.453 nan 8.370 nan 0.000 0.451 390 Y N 0.505 120.849 120.300 0.074 0.000 2.342 390 Y HA 0.176 4.725 4.550 -0.000 0.000 0.334 390 Y C -0.431 175.492 175.900 0.040 0.000 1.067 390 Y CA -0.671 57.472 58.100 0.072 0.000 1.128 390 Y CB 1.254 39.761 38.460 0.079 0.000 1.200 390 Y HN 0.113 nan 8.280 nan 0.000 0.464 391 D N 6.202 126.206 120.400 -0.659 0.000 2.373 391 D HA 0.158 4.798 4.640 -0.000 0.000 0.227 391 D C 0.484 176.455 176.300 -0.548 0.000 1.091 391 D CA 0.003 53.757 54.000 -0.410 0.000 0.840 391 D CB 1.168 41.805 40.800 -0.271 0.000 1.060 391 D HN 0.862 nan 8.370 nan 0.000 0.502 392 L N 3.457 124.519 121.223 -0.267 0.000 2.291 392 L HA -0.052 4.288 4.340 -0.000 0.000 0.214 392 L C 2.384 179.050 176.870 -0.340 0.000 1.120 392 L CA 0.684 55.363 54.840 -0.269 0.000 0.799 392 L CB -0.001 41.993 42.059 -0.108 0.000 0.925 392 L HN 0.341 nan 8.230 nan 0.000 0.446 393 K N 0.110 120.407 120.400 -0.170 0.000 2.031 393 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 393 K C 2.165 178.800 176.600 0.059 0.000 1.049 393 K CA 1.603 57.860 56.287 -0.050 0.000 0.939 393 K CB 0.099 32.592 32.500 -0.012 0.000 0.717 393 K HN 0.288 nan 8.250 nan 0.000 0.438 394 S N -0.932 114.768 115.700 -0.000 0.000 2.535 394 S HA 0.014 4.484 4.470 -0.000 0.000 0.214 394 S C -0.139 174.563 174.600 0.171 0.000 0.980 394 S CA -0.223 58.030 58.200 0.088 0.000 0.907 394 S CB -0.256 62.943 63.200 -0.001 0.000 0.790 394 S HN 0.409 nan 8.310 nan 0.000 0.510 395 H N 0.070 119.042 119.070 -0.162 0.000 2.826 395 H HA -0.093 4.463 4.556 -0.000 0.000 0.306 395 H C -0.815 174.453 175.328 -0.099 0.000 1.235 395 H CA 0.852 56.849 56.048 -0.085 0.000 1.150 395 H CB -2.017 27.795 29.762 0.083 0.000 1.409 395 H HN 0.380 nan 8.280 nan 0.000 0.420 396 K N -0.226 119.966 120.400 -0.347 0.000 2.532 396 K HA 0.442 4.762 4.320 -0.000 0.000 0.265 396 K C 0.008 176.466 176.600 -0.237 0.000 0.948 396 K CA -0.464 55.750 56.287 -0.121 0.000 0.842 396 K CB 2.899 35.378 32.500 -0.035 0.000 1.392 396 K HN 0.125 nan 8.250 nan 0.000 0.436 397 V N 2.685 122.644 119.914 0.074 0.000 2.655 397 V HA 0.201 4.321 4.120 -0.000 0.000 0.300 397 V C 0.886 176.984 176.094 0.006 0.000 1.044 397 V CA -0.053 62.318 62.300 0.118 0.000 1.095 397 V CB 0.165 32.071 31.823 0.138 0.000 0.952 397 V HN 0.607 nan 8.190 nan 0.000 0.485 398 R N 3.260 123.769 120.500 0.016 0.000 2.577 398 R HA 0.261 4.601 4.340 -0.000 0.000 0.269 398 R C 0.904 177.228 176.300 0.039 0.000 1.084 398 R CA -0.611 55.493 56.100 0.007 0.000 1.163 398 R CB 0.351 30.654 30.300 0.006 0.000 1.100 398 R HN 0.627 nan 8.270 nan 0.000 0.547 399 N N 0.688 119.417 118.700 0.048 0.000 2.368 399 N HA -0.103 4.637 4.740 -0.000 0.000 0.176 399 N C 0.106 175.774 175.510 0.264 0.000 1.021 399 N CA 0.528 53.640 53.050 0.104 0.000 0.888 399 N CB 0.218 38.738 38.487 0.056 0.000 0.995 399 N HN 0.498 nan 8.380 nan 0.000 0.437 400 Q N 1.403 121.279 119.800 0.128 0.000 2.300 400 Q HA 0.037 4.377 4.340 -0.000 0.000 0.280 400 Q C -0.653 175.315 176.000 -0.053 0.000 1.033 400 Q CA -0.247 55.582 55.803 0.043 0.000 0.903 400 Q CB 0.524 29.247 28.738 -0.024 0.000 1.195 400 Q HN 0.052 nan 8.270 nan 0.000 0.386 401 L N 5.050 126.044 121.223 -0.381 0.000 2.281 401 L HA 0.408 4.748 4.340 -0.000 0.000 0.285 401 L C -0.452 176.200 176.870 -0.363 0.000 1.074 401 L CA 0.461 54.823 54.840 -0.797 0.000 0.817 401 L CB 1.148 42.236 42.059 -1.619 0.000 1.168 401 L HN 0.818 nan 8.230 nan 0.000 0.434 402 T N 1.494 115.934 114.554 -0.190 0.000 2.888 402 T HA 0.690 5.040 4.350 -0.000 0.000 0.288 402 T C 0.902 175.679 174.700 0.128 0.000 1.063 402 T CA -0.256 61.857 62.100 0.023 0.000 1.010 402 T CB 1.322 70.257 68.868 0.112 0.000 1.214 402 T HN 0.631 nan 8.240 nan 0.000 0.533 403 A N 0.194 123.209 122.820 0.326 0.000 2.121 403 A HA 0.333 4.653 4.320 -0.000 0.000 0.218 403 A C 2.463 180.329 177.584 0.469 0.000 1.154 403 A CA 1.567 53.809 52.037 0.342 0.000 0.679 403 A CB -1.468 17.736 19.000 0.340 0.000 0.795 403 A HN 1.331 nan 8.150 nan 0.000 0.458 404 A N 0.005 123.092 122.820 0.445 0.000 2.024 404 A HA 0.099 4.419 4.320 -0.000 0.000 0.220 404 A C 2.306 180.092 177.584 0.336 0.000 1.164 404 A CA 1.785 53.992 52.037 0.284 0.000 0.643 404 A CB -0.751 18.100 19.000 -0.249 0.000 0.806 404 A HN 1.094 nan 8.150 nan 0.000 0.451 405 A N -0.984 121.982 122.820 0.243 0.000 2.172 405 A HA 0.132 4.452 4.320 -0.000 0.000 0.216 405 A C 1.701 179.463 177.584 0.296 0.000 1.154 405 A CA 0.986 53.184 52.037 0.268 0.000 0.701 405 A CB -0.264 18.860 19.000 0.206 0.000 0.789 405 A HN 0.379 nan 8.150 nan 0.000 0.465 406 L N -1.873 119.520 121.223 0.284 0.000 2.492 406 L HA 0.076 4.416 4.340 -0.000 0.000 0.223 406 L C 1.813 178.781 176.870 0.163 0.000 1.132 406 L CA 0.926 55.877 54.840 0.185 0.000 0.850 406 L CB -1.540 40.579 42.059 0.100 0.000 0.966 406 L HN 0.388 nan 8.230 nan 0.000 0.454 407 F N 1.360 121.367 119.950 0.095 0.000 2.126 407 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 407 F C -0.137 175.693 175.800 0.050 0.000 1.096 407 F CA 1.711 59.789 58.000 0.129 0.000 1.255 407 F CB -1.800 37.273 39.000 0.121 0.000 0.997 407 F HN 0.182 nan 8.300 nan 0.000 0.479 408 P HA -0.134 nan 4.420 nan 0.000 0.220 408 P C 1.590 178.820 177.300 -0.118 0.000 1.148 408 P CA 1.156 64.110 63.100 -0.244 0.000 0.803 408 P CB 0.034 31.210 31.700 -0.873 0.000 0.782 409 L N -2.399 118.800 121.223 -0.039 0.000 2.072 409 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 409 L C 2.427 179.449 176.870 0.254 0.000 1.079 409 L CA 1.577 56.475 54.840 0.098 0.000 0.752 409 L CB -1.705 40.368 42.059 0.023 0.000 0.906 409 L HN -0.065 nan 8.230 nan 0.000 0.436 410 Y N 0.611 120.922 120.300 0.019 0.000 2.151 410 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 410 Y C 2.165 178.087 175.900 0.038 0.000 1.166 410 Y CA 1.827 59.912 58.100 -0.025 0.000 1.163 410 Y CB -0.241 38.114 38.460 -0.175 0.000 0.974 410 Y HN 0.068 nan 8.280 nan 0.000 0.511 411 V N -2.162 117.765 119.914 0.023 0.000 3.577 411 V HA 0.193 4.313 4.120 -0.000 0.000 0.294 411 V C 0.459 176.635 176.094 0.136 0.000 1.317 411 V CA 0.577 62.876 62.300 -0.002 0.000 1.169 411 V CB -0.898 31.020 31.823 0.158 0.000 1.011 411 V HN 0.560 nan 8.190 nan 0.000 0.426 412 N N 0.166 118.944 118.700 0.130 0.000 2.725 412 N HA -0.243 4.497 4.740 -0.000 0.000 0.249 412 N C 0.989 176.576 175.510 0.128 0.000 1.103 412 N CA 1.154 54.306 53.050 0.171 0.000 0.707 412 N CB -1.176 37.349 38.487 0.063 0.000 1.043 412 N HN 0.846 nan 8.380 nan 0.000 0.553 413 A N -0.716 122.055 122.820 -0.082 0.000 2.030 413 A HA 0.449 4.769 4.320 -0.000 0.000 0.215 413 A C 1.238 178.691 177.584 -0.220 0.000 1.164 413 A CA 1.073 52.825 52.037 -0.475 0.000 0.697 413 A CB 0.210 18.677 19.000 -0.888 0.000 0.827 413 A HN 0.520 nan 8.150 nan 0.000 0.457 414 A N 0.349 123.117 122.820 -0.086 0.000 2.425 414 A HA 0.587 4.907 4.320 -0.000 0.000 0.249 414 A C 0.779 178.375 177.584 0.019 0.000 1.084 414 A CA 0.095 52.091 52.037 -0.068 0.000 0.781 414 A CB -0.245 18.648 19.000 -0.179 0.000 1.019 414 A HN 1.297 nan 8.150 nan 0.000 0.490 415 A N 2.164 124.965 122.820 -0.031 0.000 2.520 415 A HA 0.234 4.554 4.320 -0.000 0.000 0.235 415 A C 1.200 178.765 177.584 -0.031 0.000 1.065 415 A CA 0.471 52.488 52.037 -0.033 0.000 0.764 415 A CB -0.004 18.916 19.000 -0.132 0.000 1.002 415 A HN 0.932 nan 8.150 nan 0.000 0.502 416 K N 0.724 121.177 120.400 0.088 0.000 2.063 416 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 416 K C 1.532 178.128 176.600 -0.006 0.000 1.048 416 K CA 1.883 58.247 56.287 0.127 0.000 0.928 416 K CB -0.117 32.478 32.500 0.159 0.000 0.713 416 K HN 0.930 nan 8.250 nan 0.000 0.442 417 D N 0.692 121.063 120.400 -0.050 0.000 2.178 417 D HA -0.201 4.439 4.640 -0.000 0.000 0.202 417 D C 1.668 177.901 176.300 -0.112 0.000 0.974 417 D CA 1.114 55.076 54.000 -0.064 0.000 0.841 417 D CB -0.150 40.606 40.800 -0.074 0.000 0.953 417 D HN 0.183 nan 8.370 nan 0.000 0.478 418 R N 0.543 120.900 120.500 -0.238 0.000 2.090 418 R HA 0.122 4.462 4.340 -0.000 0.000 0.228 418 R C 2.620 178.878 176.300 -0.070 0.000 1.110 418 R CA 1.074 56.965 56.100 -0.348 0.000 0.973 418 R CB -0.286 29.510 30.300 -0.840 0.000 0.869 418 R HN 0.221 nan 8.270 nan 0.000 0.440 419 A N 1.788 124.505 122.820 -0.172 0.000 1.902 419 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 419 A C 1.691 179.247 177.584 -0.047 0.000 1.181 419 A CA 1.540 53.427 52.037 -0.251 0.000 0.623 419 A CB -0.425 18.035 19.000 -0.900 0.000 0.818 419 A HN 0.232 nan 8.150 nan 0.000 0.443 420 N N 0.019 118.716 118.700 -0.005 0.000 2.120 420 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 420 N C 1.590 177.153 175.510 0.090 0.000 1.024 420 N CA 1.468 54.550 53.050 0.052 0.000 0.852 420 N CB -0.353 38.165 38.487 0.051 0.000 1.003 420 N HN 0.561 nan 8.380 nan 0.000 0.424 421 K N 0.006 120.476 120.400 0.117 0.000 2.103 421 K HA -0.009 4.311 4.320 -0.000 0.000 0.207 421 K C 1.813 178.554 176.600 0.236 0.000 1.048 421 K CA 0.896 57.301 56.287 0.197 0.000 0.930 421 K CB -0.021 32.659 32.500 0.301 0.000 0.716 421 K HN 0.087 nan 8.250 nan 0.000 0.444 422 M N 0.073 119.816 119.600 0.238 0.000 2.175 422 M HA -0.073 4.407 4.480 -0.000 0.000 0.264 422 M C 2.315 178.715 176.300 0.165 0.000 1.063 422 M CA 1.242 56.688 55.300 0.243 0.000 1.119 422 M CB -0.967 31.791 32.600 0.262 0.000 1.377 422 M HN 0.146 nan 8.290 nan 0.000 0.415 423 A N -0.263 122.631 122.820 0.123 0.000 1.902 423 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 423 A C 2.333 179.977 177.584 0.102 0.000 1.181 423 A CA 2.268 54.363 52.037 0.097 0.000 0.623 423 A CB -1.081 17.967 19.000 0.080 0.000 0.818 423 A HN 0.462 nan 8.150 nan 0.000 0.443 424 T N 0.303 114.928 114.554 0.119 0.000 2.708 424 T HA -0.022 4.328 4.350 -0.000 0.000 0.266 424 T C 2.266 177.056 174.700 0.150 0.000 1.037 424 T CA 1.675 63.845 62.100 0.117 0.000 1.146 424 T CB -0.523 68.420 68.868 0.124 0.000 0.865 424 T HN 0.603 nan 8.240 nan 0.000 0.435 425 A N 1.289 124.243 122.820 0.223 0.000 1.908 425 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 425 A C 2.553 180.253 177.584 0.193 0.000 1.181 425 A CA 2.237 54.455 52.037 0.302 0.000 0.627 425 A CB -1.322 17.880 19.000 0.338 0.000 0.818 425 A HN 0.486 nan 8.150 nan 0.000 0.445 426 T N -0.108 114.522 114.554 0.127 0.000 2.674 426 T HA -0.139 4.211 4.350 -0.000 0.000 0.265 426 T C 1.954 176.692 174.700 0.063 0.000 1.039 426 T CA 1.682 63.831 62.100 0.082 0.000 1.150 426 T CB -0.217 68.693 68.868 0.070 0.000 0.864 426 T HN 0.537 nan 8.240 nan 0.000 0.427 427 K N 0.564 120.997 120.400 0.055 0.000 2.044 427 K HA -0.153 4.167 4.320 -0.000 0.000 0.210 427 K C 2.785 179.384 176.600 -0.001 0.000 1.049 427 K CA 1.908 58.213 56.287 0.030 0.000 0.927 427 K CB -0.474 32.044 32.500 0.029 0.000 0.713 427 K HN 0.494 nan 8.250 nan 0.000 0.443 428 T N -1.964 112.568 114.554 -0.035 0.000 2.985 428 T HA -0.086 4.263 4.350 -0.000 0.000 0.266 428 T C 1.420 175.943 174.700 -0.295 0.000 1.076 428 T CA 1.192 63.179 62.100 -0.187 0.000 1.135 428 T CB -0.090 68.618 68.868 -0.267 0.000 0.890 428 T HN 0.328 nan 8.240 nan 0.000 0.480 429 H N -0.994 118.072 119.070 -0.007 0.000 2.927 429 H HA 0.510 5.066 4.556 -0.000 0.000 0.255 429 H C 1.718 177.022 175.328 -0.040 0.000 0.974 429 H CA 0.143 56.166 56.048 -0.042 0.000 1.199 429 H CB 0.588 30.272 29.762 -0.131 0.000 1.447 429 H HN 0.200 nan 8.280 nan 0.000 0.467 430 L N -0.106 121.169 121.223 0.087 0.000 2.609 430 L HA 0.189 4.529 4.340 -0.000 0.000 0.230 430 L C -0.162 176.740 176.870 0.053 0.000 1.064 430 L CA -0.212 54.660 54.840 0.055 0.000 0.873 430 L CB 0.520 42.602 42.059 0.038 0.000 1.139 430 L HN 0.105 nan 8.230 nan 0.000 0.490 431 L N 1.519 122.776 121.223 0.056 0.000 2.410 431 L HA 0.217 4.557 4.340 -0.000 0.000 0.273 431 L C -0.256 176.674 176.870 0.100 0.000 1.144 431 L CA 0.801 55.686 54.840 0.075 0.000 0.863 431 L CB 0.223 42.318 42.059 0.060 0.000 1.140 431 L HN 0.073 nan 8.230 nan 0.000 0.463 432 Q N 5.228 125.112 119.800 0.140 0.000 2.528 432 Q HA 0.439 4.779 4.340 -0.000 0.000 0.289 432 Q C -2.087 174.002 176.000 0.147 0.000 1.091 432 Q CA -1.801 54.068 55.803 0.111 0.000 0.797 432 Q CB 1.294 30.068 28.738 0.060 0.000 1.466 432 Q HN 0.323 nan 8.270 nan 0.000 0.436 433 P HA -0.096 nan 4.420 nan 0.000 0.219 433 P C 0.745 177.939 177.300 -0.176 0.000 1.146 433 P CA 1.486 64.455 63.100 -0.219 0.000 0.808 433 P CB 0.236 31.833 31.700 -0.172 0.000 0.779 434 G N -2.250 106.540 108.800 -0.016 0.000 3.233 434 G HA2 0.484 4.444 3.960 -0.000 0.000 0.234 434 G HA3 0.484 4.444 3.960 -0.000 0.000 0.234 434 G C 0.524 175.524 174.900 0.165 0.000 1.137 434 G CA 0.338 45.456 45.100 0.030 0.000 0.763 434 G HN 0.547 nan 8.290 nan 0.000 0.549 435 G N -0.581 108.358 108.800 0.232 0.000 2.302 435 G HA2 0.204 4.164 3.960 -0.000 0.000 0.276 435 G HA3 0.204 4.164 3.960 -0.000 0.000 0.276 435 G C -1.381 173.604 174.900 0.141 0.000 1.316 435 G CA -0.588 44.667 45.100 0.258 0.000 0.988 435 G HN 0.696 nan 8.290 nan 0.000 0.479 436 L N 1.274 122.529 121.223 0.054 0.000 2.313 436 L HA 0.578 4.918 4.340 -0.000 0.000 0.282 436 L C 0.489 177.362 176.870 0.004 0.000 1.092 436 L CA -0.739 54.110 54.840 0.016 0.000 0.831 436 L CB 0.663 42.703 42.059 -0.031 0.000 1.159 436 L HN 0.606 nan 8.230 nan 0.000 0.442 437 N N 2.625 121.339 118.700 0.023 0.000 2.479 437 N HA 0.068 4.808 4.740 -0.000 0.000 0.257 437 N C 0.765 176.289 175.510 0.024 0.000 1.232 437 N CA 0.303 53.361 53.050 0.014 0.000 0.920 437 N CB 1.491 39.992 38.487 0.024 0.000 1.105 437 N HN 0.735 nan 8.380 nan 0.000 0.444 438 T N -0.074 114.488 114.554 0.013 0.000 2.812 438 T HA -0.029 4.321 4.350 -0.000 0.000 0.264 438 T C 0.798 175.578 174.700 0.135 0.000 1.042 438 T CA 1.480 63.604 62.100 0.039 0.000 1.140 438 T CB -0.056 68.779 68.868 -0.056 0.000 0.870 438 T HN 0.811 nan 8.240 nan 0.000 0.445 439 T N -1.124 113.488 114.554 0.096 0.000 2.696 439 T HA 0.457 4.807 4.350 -0.000 0.000 0.291 439 T C 0.437 175.159 174.700 0.036 0.000 1.095 439 T CA -0.190 61.960 62.100 0.083 0.000 1.026 439 T CB 1.603 70.538 68.868 0.112 0.000 1.390 439 T HN -0.034 nan 8.240 nan 0.000 0.513 440 S N -0.719 114.986 115.700 0.009 0.000 2.575 440 S HA 0.414 4.884 4.470 -0.000 0.000 0.237 440 S C 0.013 174.629 174.600 0.025 0.000 0.975 440 S CA -0.476 57.734 58.200 0.017 0.000 0.960 440 S CB -0.306 62.902 63.200 0.014 0.000 0.822 440 S HN 0.649 nan 8.310 nan 0.000 0.472 441 V N 2.375 122.308 119.914 0.033 0.000 2.347 441 V HA 0.396 4.516 4.120 -0.000 0.000 0.280 441 V C 0.070 176.193 176.094 0.048 0.000 1.021 441 V CA -0.713 61.611 62.300 0.040 0.000 0.847 441 V CB 1.426 33.275 31.823 0.044 0.000 0.990 441 V HN 0.395 nan 8.190 nan 0.000 0.444 442 K N 3.195 123.620 120.400 0.040 0.000 2.184 442 K HA 0.189 4.509 4.320 -0.000 0.000 0.259 442 K C 1.174 177.803 176.600 0.048 0.000 1.119 442 K CA 0.133 56.443 56.287 0.039 0.000 0.991 442 K CB 0.369 32.884 32.500 0.026 0.000 1.522 442 K HN 0.827 nan 8.250 nan 0.000 0.405 443 S N 2.086 117.826 115.700 0.067 0.000 2.486 443 S HA 0.130 4.600 4.470 -0.000 0.000 0.220 443 S C 1.410 176.056 174.600 0.078 0.000 1.011 443 S CA 0.428 58.674 58.200 0.077 0.000 0.921 443 S CB 0.123 63.386 63.200 0.105 0.000 0.785 443 S HN 0.831 nan 8.310 nan 0.000 0.517 444 G N 0.335 109.180 108.800 0.075 0.000 2.194 444 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.236 444 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.236 444 G C -0.031 174.936 174.900 0.112 0.000 0.987 444 G CA 0.032 45.177 45.100 0.075 0.000 0.635 444 G HN 0.518 nan 8.290 nan 0.000 0.520 445 Q N 0.057 119.951 119.800 0.157 0.000 2.212 445 Q HA 0.438 4.777 4.340 -0.000 0.000 0.238 445 Q C 1.354 177.492 176.000 0.231 0.000 0.955 445 Q CA -0.463 55.483 55.803 0.239 0.000 0.906 445 Q CB 0.672 29.602 28.738 0.321 0.000 1.215 445 Q HN 0.484 nan 8.270 nan 0.000 0.478 446 Q N 0.143 120.129 119.800 0.310 0.000 2.119 446 Q HA -0.110 4.230 4.340 -0.000 0.000 0.201 446 Q C -0.018 176.114 176.000 0.220 0.000 0.972 446 Q CA 1.206 57.182 55.803 0.288 0.000 0.847 446 Q CB 0.157 29.157 28.738 0.436 0.000 0.903 446 Q HN 0.506 nan 8.270 nan 0.000 0.433 447 W N 1.935 123.355 121.300 0.200 0.000 1.714 447 W HA 0.277 4.937 4.660 -0.000 0.000 0.363 447 W C -0.542 176.008 176.519 0.053 0.000 0.724 447 W CA -0.257 57.083 57.345 -0.007 0.000 1.804 447 W CB 0.456 29.740 29.460 -0.293 0.000 1.900 447 W HN -0.102 nan 8.180 nan 0.000 0.296 448 D N -0.510 119.980 120.400 0.149 0.000 2.653 448 D HA 0.319 4.959 4.640 -0.000 0.000 0.258 448 D C -0.557 175.775 176.300 0.053 0.000 1.252 448 D CA -0.678 53.397 54.000 0.125 0.000 0.777 448 D CB 1.513 42.401 40.800 0.145 0.000 1.339 448 D HN -0.041 nan 8.370 nan 0.000 0.422 449 A N 1.447 124.293 122.820 0.042 0.000 2.587 449 A HA 0.276 4.596 4.320 -0.000 0.000 0.233 449 A C -1.749 175.836 177.584 0.001 0.000 1.049 449 A CA -0.075 51.970 52.037 0.013 0.000 0.754 449 A CB -0.065 18.948 19.000 0.020 0.000 0.977 449 A HN 0.336 nan 8.150 nan 0.000 0.509 450 P HA 0.107 nan 4.420 nan 0.000 0.262 450 P C -0.679 176.568 177.300 -0.088 0.000 1.651 450 P CA -0.325 62.750 63.100 -0.042 0.000 1.119 450 P CB -0.009 31.667 31.700 -0.040 0.000 1.552 451 N N 0.815 119.438 118.700 -0.129 0.000 2.514 451 N HA 0.313 5.053 4.740 -0.000 0.000 0.277 451 N C 0.585 175.918 175.510 -0.295 0.000 1.126 451 N CA 0.262 53.140 53.050 -0.288 0.000 0.978 451 N CB 1.303 39.562 38.487 -0.381 0.000 1.106 451 N HN 0.068 nan 8.380 nan 0.000 0.461 452 G N 1.220 109.814 108.800 -0.343 0.000 2.478 452 G HA2 0.491 4.451 3.960 -0.000 0.000 0.317 452 G HA3 0.491 4.451 3.960 -0.000 0.000 0.317 452 G C -1.382 173.278 174.900 -0.400 0.000 1.259 452 G CA -0.583 44.391 45.100 -0.210 0.000 0.933 452 G HN 0.453 nan 8.290 nan 0.000 0.478 453 W N 1.838 122.855 121.300 -0.471 0.000 2.529 453 W HA 0.519 5.179 4.660 -0.000 0.000 0.321 453 W C 0.978 177.022 176.519 -0.792 0.000 1.047 453 W CA -0.380 56.576 57.345 -0.648 0.000 1.216 453 W CB 2.192 31.010 29.460 -1.070 0.000 1.357 453 W HN 0.727 nan 8.180 nan 0.000 0.489 454 A N 5.308 127.808 122.820 -0.534 0.000 1.903 454 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 454 A C -0.158 176.928 177.584 -0.830 0.000 1.191 454 A CA 2.128 53.752 52.037 -0.688 0.000 0.638 454 A CB -1.884 16.986 19.000 -0.216 0.000 0.823 454 A HN 0.513 nan 8.150 nan 0.000 0.451 455 P HA -0.157 nan 4.420 nan 0.000 0.216 455 P C 1.507 178.370 177.300 -0.728 0.000 1.150 455 P CA 1.176 63.323 63.100 -1.587 0.000 0.837 455 P CB -0.252 30.188 31.700 -2.100 0.000 0.786 456 L N -0.818 120.135 121.223 -0.449 0.000 2.156 456 L HA -0.136 4.203 4.340 -0.000 0.000 0.208 456 L C 2.919 179.661 176.870 -0.214 0.000 1.095 456 L CA 1.083 55.836 54.840 -0.146 0.000 0.770 456 L CB -1.084 40.992 42.059 0.027 0.000 0.914 456 L HN -0.044 nan 8.230 nan 0.000 0.439 457 Q N -0.365 119.213 119.800 -0.371 0.000 2.061 457 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 457 Q C 1.999 177.921 176.000 -0.129 0.000 0.984 457 Q CA 1.956 57.549 55.803 -0.351 0.000 0.846 457 Q CB -0.697 27.581 28.738 -0.767 0.000 0.902 457 Q HN 0.675 nan 8.270 nan 0.000 0.421 458 W N 1.035 122.164 121.300 -0.285 0.000 2.409 458 W HA -0.111 4.549 4.660 -0.000 0.000 0.299 458 W C 1.888 178.350 176.519 -0.096 0.000 1.203 458 W CA 0.913 58.200 57.345 -0.097 0.000 1.298 458 W CB 0.218 29.708 29.460 0.049 0.000 1.127 458 W HN -0.070 nan 8.180 nan 0.000 0.528 459 V N 1.751 121.507 119.914 -0.265 0.000 2.287 459 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 459 V C 2.678 178.513 176.094 -0.432 0.000 1.053 459 V CA 2.422 64.292 62.300 -0.716 0.000 1.027 459 V CB -1.576 29.697 31.823 -0.917 0.000 0.646 459 V HN 0.265 nan 8.190 nan 0.000 0.447 460 A N -0.462 122.206 122.820 -0.253 0.000 1.883 460 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 460 A C 2.404 179.911 177.584 -0.128 0.000 1.186 460 A CA 2.665 54.626 52.037 -0.127 0.000 0.624 460 A CB -1.113 17.846 19.000 -0.068 0.000 0.822 460 A HN 0.506 nan 8.150 nan 0.000 0.444 461 T N -0.015 114.424 114.554 -0.192 0.000 2.684 461 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 461 T C 1.862 176.392 174.700 -0.283 0.000 1.036 461 T CA 1.573 63.546 62.100 -0.211 0.000 1.148 461 T CB -0.257 68.480 68.868 -0.219 0.000 0.863 461 T HN 0.488 nan 8.240 nan 0.000 0.436 462 E N 0.641 120.557 120.200 -0.474 0.000 2.072 462 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 462 E C 2.600 179.178 176.600 -0.038 0.000 0.985 462 E CA 1.106 57.313 56.400 -0.322 0.000 0.801 462 E CB -0.793 28.709 29.700 -0.331 0.000 0.750 462 E HN 0.561 nan 8.360 nan 0.000 0.452 463 G N 1.561 110.396 108.800 0.058 0.000 2.446 463 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 463 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 463 G C 1.785 176.791 174.900 0.176 0.000 1.168 463 G CA 0.670 45.865 45.100 0.158 0.000 0.771 463 G HN 0.150 nan 8.290 nan 0.000 0.551 464 L N -0.096 121.179 121.223 0.087 0.000 2.012 464 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 464 L C 3.186 180.125 176.870 0.115 0.000 1.073 464 L CA 1.475 56.377 54.840 0.102 0.000 0.748 464 L CB -0.491 41.598 42.059 0.049 0.000 0.891 464 L HN 0.275 nan 8.230 nan 0.000 0.431 465 Q N -0.376 119.453 119.800 0.048 0.000 2.170 465 Q HA -0.186 4.154 4.340 -0.000 0.000 0.203 465 Q C 1.937 177.953 176.000 0.026 0.000 0.976 465 Q CA 1.184 57.005 55.803 0.029 0.000 0.858 465 Q CB -0.217 28.512 28.738 -0.016 0.000 0.907 465 Q HN 0.494 nan 8.270 nan 0.000 0.433 466 N N -0.102 118.619 118.700 0.035 0.000 2.272 466 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 466 N C 0.381 175.758 175.510 -0.223 0.000 1.014 466 N CA 1.262 54.264 53.050 -0.080 0.000 0.870 466 N CB -0.033 38.422 38.487 -0.054 0.000 0.975 466 N HN 0.390 nan 8.380 nan 0.000 0.433 467 Y N -1.231 119.075 120.300 0.010 0.000 2.681 467 Y HA 0.354 4.904 4.550 -0.000 0.000 0.267 467 Y C 1.467 177.379 175.900 0.020 0.000 1.166 467 Y CA -0.155 57.956 58.100 0.018 0.000 1.209 467 Y CB 0.484 38.962 38.460 0.030 0.000 1.161 467 Y HN 0.032 nan 8.280 nan 0.000 0.534 468 G N 0.004 108.864 108.800 0.102 0.000 2.162 468 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 468 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 468 G C 0.388 175.336 174.900 0.080 0.000 0.976 468 G CA -0.190 44.954 45.100 0.072 0.000 0.655 468 G HN 0.280 nan 8.290 nan 0.000 0.533 469 Q N 0.335 120.195 119.800 0.100 0.000 3.181 469 Q HA 0.236 4.576 4.340 -0.000 0.000 0.293 469 Q C 1.510 177.546 176.000 0.061 0.000 1.406 469 Q CA 0.353 56.205 55.803 0.081 0.000 1.026 469 Q CB 0.858 29.651 28.738 0.092 0.000 1.630 469 Q HN 0.387 nan 8.270 nan 0.000 0.553 470 K N 1.251 121.684 120.400 0.055 0.000 2.103 470 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 470 K C 1.623 178.255 176.600 0.053 0.000 1.052 470 K CA 1.394 57.713 56.287 0.052 0.000 0.945 470 K CB 0.229 32.761 32.500 0.053 0.000 0.722 470 K HN 0.640 nan 8.250 nan 0.000 0.443 471 E N -0.084 120.144 120.200 0.046 0.000 2.051 471 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 471 E C 1.917 178.534 176.600 0.028 0.000 0.991 471 E CA 1.717 58.140 56.400 0.039 0.000 0.799 471 E CB -0.063 29.655 29.700 0.029 0.000 0.748 471 E HN 0.307 nan 8.360 nan 0.000 0.449 472 V N 1.384 121.313 119.914 0.026 0.000 2.407 472 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 472 V C 2.524 178.622 176.094 0.007 0.000 1.055 472 V CA 1.730 64.038 62.300 0.012 0.000 1.049 472 V CB -0.838 31.001 31.823 0.026 0.000 0.662 472 V HN 0.389 nan 8.190 nan 0.000 0.455 473 A N -0.334 122.499 122.820 0.022 0.000 1.902 473 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 473 A C 2.220 179.827 177.584 0.038 0.000 1.181 473 A CA 1.875 53.919 52.037 0.013 0.000 0.623 473 A CB -0.430 18.572 19.000 0.004 0.000 0.818 473 A HN 0.400 nan 8.150 nan 0.000 0.443 474 M N -0.050 119.596 119.600 0.077 0.000 2.229 474 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 474 M C 1.304 177.712 176.300 0.179 0.000 1.063 474 M CA 1.210 56.610 55.300 0.168 0.000 1.114 474 M CB -1.432 31.303 32.600 0.225 0.000 1.387 474 M HN 0.326 nan 8.290 nan 0.000 0.420 475 D N 0.687 121.097 120.400 0.018 0.000 2.117 475 D HA -0.069 4.571 4.640 -0.000 0.000 0.197 475 D C 2.138 178.268 176.300 -0.283 0.000 0.987 475 D CA 1.123 54.992 54.000 -0.218 0.000 0.829 475 D CB -0.183 40.445 40.800 -0.286 0.000 0.961 475 D HN 0.348 nan 8.370 nan 0.000 0.460 476 I N 0.692 121.204 120.570 -0.097 0.000 2.179 476 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 476 I C 2.381 178.555 176.117 0.095 0.000 1.088 476 I CA 0.845 62.137 61.300 -0.012 0.000 1.357 476 I CB -0.169 37.825 38.000 -0.011 0.000 1.051 476 I HN -0.097 nan 8.210 nan 0.000 0.409 477 S N -0.153 115.605 115.700 0.097 0.000 2.348 477 S HA -0.213 4.257 4.470 -0.000 0.000 0.221 477 S C 1.635 176.293 174.600 0.096 0.000 1.033 477 S CA 1.457 59.722 58.200 0.108 0.000 1.010 477 S CB -0.510 62.725 63.200 0.058 0.000 0.891 477 S HN 0.424 nan 8.310 nan 0.000 0.442 478 W N 1.327 122.679 121.300 0.087 0.000 2.338 478 W HA -0.146 4.514 4.660 -0.000 0.000 0.304 478 W C 2.573 179.216 176.519 0.207 0.000 1.212 478 W CA 1.430 58.849 57.345 0.123 0.000 1.264 478 W CB -0.532 29.000 29.460 0.120 0.000 1.142 478 W HN 0.398 nan 8.180 nan 0.000 0.512 479 H N -1.955 117.286 119.070 0.285 0.000 2.326 479 H HA -0.142 4.414 4.556 -0.000 0.000 0.301 479 H C 1.808 177.206 175.328 0.115 0.000 1.081 479 H CA 1.439 57.590 56.048 0.172 0.000 1.334 479 H CB -1.301 28.544 29.762 0.138 0.000 1.385 479 H HN 0.104 nan 8.280 nan 0.000 0.504 480 F N 0.868 120.880 119.950 0.104 0.000 2.113 480 F HA -0.110 4.417 4.527 -0.000 0.000 0.297 480 F C 2.223 177.946 175.800 -0.130 0.000 1.103 480 F CA 0.918 58.885 58.000 -0.054 0.000 1.248 480 F CB -0.603 38.355 39.000 -0.071 0.000 0.999 480 F HN 0.021 nan 8.300 nan 0.000 0.475 481 L N -0.508 120.681 121.223 -0.056 0.000 2.079 481 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 481 L C 2.285 179.040 176.870 -0.190 0.000 1.081 481 L CA 1.928 56.650 54.840 -0.197 0.000 0.752 481 L CB -1.093 40.868 42.059 -0.164 0.000 0.896 481 L HN 0.183 nan 8.230 nan 0.000 0.433 482 T N -0.995 113.527 114.554 -0.053 0.000 2.821 482 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 482 T C 1.761 176.406 174.700 -0.092 0.000 1.046 482 T CA 1.215 63.313 62.100 -0.004 0.000 1.139 482 T CB -0.250 68.674 68.868 0.093 0.000 0.871 482 T HN 0.259 nan 8.240 nan 0.000 0.454 483 N N 1.037 119.615 118.700 -0.204 0.000 2.084 483 N HA -0.086 4.654 4.740 -0.000 0.000 0.190 483 N C 1.876 177.166 175.510 -0.366 0.000 1.030 483 N CA 0.980 53.871 53.050 -0.265 0.000 0.849 483 N CB -0.571 37.686 38.487 -0.382 0.000 1.012 483 N HN 0.188 nan 8.380 nan 0.000 0.423 484 V N 0.963 120.451 119.914 -0.710 0.000 2.343 484 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 484 V C 2.485 178.468 176.094 -0.184 0.000 1.051 484 V CA 1.727 63.624 62.300 -0.672 0.000 1.036 484 V CB -0.631 30.723 31.823 -0.782 0.000 0.654 484 V HN 0.341 nan 8.190 nan 0.000 0.451 485 Q N 0.065 119.789 119.800 -0.125 0.000 2.124 485 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 485 Q C 2.094 178.143 176.000 0.082 0.000 0.977 485 Q CA 2.405 58.214 55.803 0.010 0.000 0.850 485 Q CB -0.524 28.220 28.738 0.011 0.000 0.901 485 Q HN 0.853 nan 8.270 nan 0.000 0.429 486 H N -1.279 117.777 119.070 -0.024 0.000 2.357 486 H HA -0.033 4.523 4.556 -0.000 0.000 0.301 486 H C 1.627 176.956 175.328 0.001 0.000 1.082 486 H CA 2.194 58.235 56.048 -0.012 0.000 1.342 486 H CB -0.177 29.569 29.762 -0.027 0.000 1.389 486 H HN 0.267 nan 8.280 nan 0.000 0.511 487 T N -0.186 114.397 114.554 0.049 0.000 2.821 487 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 487 T C 1.501 176.183 174.700 -0.031 0.000 1.046 487 T CA 1.392 63.496 62.100 0.006 0.000 1.139 487 T CB -0.572 68.409 68.868 0.188 0.000 0.871 487 T HN 0.424 nan 8.240 nan 0.000 0.454 488 Y N 2.336 122.583 120.300 -0.089 0.000 2.163 488 Y HA -0.144 4.406 4.550 -0.000 0.000 0.288 488 Y C 2.032 177.841 175.900 -0.152 0.000 1.136 488 Y CA 1.331 59.356 58.100 -0.125 0.000 1.147 488 Y CB -0.421 37.967 38.460 -0.119 0.000 0.987 488 Y HN 0.121 nan 8.280 nan 0.000 0.509 489 D N -0.584 119.706 120.400 -0.184 0.000 2.116 489 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 489 D C 2.385 178.500 176.300 -0.309 0.000 0.998 489 D CA 1.673 55.526 54.000 -0.245 0.000 0.836 489 D CB -0.278 40.441 40.800 -0.135 0.000 0.951 489 D HN 0.183 nan 8.370 nan 0.000 0.449 490 R N 0.126 120.426 120.500 -0.333 0.000 2.093 490 R HA 0.080 4.420 4.340 -0.000 0.000 0.224 490 R C 1.997 178.153 176.300 -0.240 0.000 1.101 490 R CA 0.956 56.880 56.100 -0.292 0.000 0.979 490 R CB -0.546 29.543 30.300 -0.351 0.000 0.877 490 R HN 0.502 nan 8.270 nan 0.000 0.441 491 E N -0.507 119.545 120.200 -0.247 0.000 2.601 491 E HA 0.238 4.588 4.350 -0.000 0.000 0.219 491 E C -0.304 176.156 176.600 -0.233 0.000 0.964 491 E CA -0.377 55.911 56.400 -0.188 0.000 1.050 491 E CB 0.675 30.305 29.700 -0.117 0.000 1.068 491 E HN 0.052 nan 8.360 nan 0.000 0.496 492 K N 1.432 121.571 120.400 -0.434 0.000 3.035 492 K HA -0.214 4.106 4.320 -0.000 0.000 0.262 492 K C -0.361 176.077 176.600 -0.270 0.000 1.024 492 K CA 1.209 57.104 56.287 -0.654 0.000 0.748 492 K CB -1.878 30.342 32.500 -0.467 0.000 1.247 492 K HN 0.436 nan 8.250 nan 0.000 0.482 493 K N -1.236 119.146 120.400 -0.031 0.000 2.522 493 K HA 0.663 4.983 4.320 -0.000 0.000 0.275 493 K C -0.829 175.912 176.600 0.236 0.000 1.006 493 K CA -1.204 55.174 56.287 0.153 0.000 0.890 493 K CB 1.371 33.939 32.500 0.114 0.000 1.475 493 K HN -0.083 nan 8.250 nan 0.000 0.441 494 L N 0.974 122.354 121.223 0.262 0.000 2.342 494 L HA 0.623 4.963 4.340 -0.000 0.000 0.271 494 L C -0.386 176.616 176.870 0.220 0.000 1.008 494 L CA -0.670 54.328 54.840 0.264 0.000 0.818 494 L CB 1.991 44.203 42.059 0.254 0.000 1.296 494 L HN 0.660 nan 8.230 nan 0.000 0.427 495 V N -1.397 118.591 119.914 0.123 0.000 3.158 495 V HA 0.531 4.651 4.120 -0.000 0.000 0.311 495 V C 0.756 176.684 176.094 -0.276 0.000 1.181 495 V CA -0.528 61.698 62.300 -0.123 0.000 1.054 495 V CB 1.673 33.290 31.823 -0.344 0.000 1.085 495 V HN 0.873 nan 8.190 nan 0.000 0.446 496 E N 1.212 121.014 120.200 -0.663 0.000 2.150 496 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 496 E C 0.457 176.798 176.600 -0.432 0.000 0.985 496 E CA 1.146 57.001 56.400 -0.907 0.000 0.814 496 E CB 0.046 29.011 29.700 -1.226 0.000 0.752 496 E HN 0.836 nan 8.360 nan 0.000 0.466 497 K N -1.293 118.633 120.400 -0.790 0.000 2.548 497 K HA 0.448 4.768 4.320 -0.000 0.000 0.282 497 K C -1.768 174.251 176.600 -0.967 0.000 1.006 497 K CA -0.939 54.751 56.287 -0.996 0.000 0.892 497 K CB 1.167 32.509 32.500 -1.930 0.000 1.499 497 K HN -0.051 nan 8.250 nan 0.000 0.433 498 Y N -0.289 119.736 120.300 -0.459 0.000 2.553 498 Y HA 0.267 4.817 4.550 -0.000 0.000 0.347 498 Y C -0.949 174.796 175.900 -0.259 0.000 1.019 498 Y CA -0.879 57.055 58.100 -0.276 0.000 1.032 498 Y CB 2.197 40.541 38.460 -0.193 0.000 1.284 498 Y HN 0.674 nan 8.280 nan 0.000 0.466 499 D N 1.656 122.018 120.400 -0.063 0.000 2.295 499 D HA 0.163 4.803 4.640 -0.000 0.000 0.248 499 D C 0.691 176.982 176.300 -0.015 0.000 1.154 499 D CA 0.059 54.015 54.000 -0.073 0.000 0.857 499 D CB 1.873 42.627 40.800 -0.077 0.000 1.117 499 D HN 0.490 nan 8.370 nan 0.000 0.468 500 V N 1.591 121.496 119.914 -0.014 0.000 3.541 500 V HA 0.028 4.147 4.120 -0.000 0.000 0.267 500 V C 1.743 177.834 176.094 -0.005 0.000 1.213 500 V CA 0.376 62.686 62.300 0.017 0.000 1.149 500 V CB -0.106 31.742 31.823 0.042 0.000 0.822 500 V HN 0.339 nan 8.190 nan 0.000 0.462 501 S N 1.222 116.909 115.700 -0.022 0.000 2.447 501 S HA 0.009 4.478 4.470 -0.000 0.000 0.233 501 S C 1.084 175.657 174.600 -0.046 0.000 1.006 501 S CA 1.383 59.567 58.200 -0.027 0.000 0.957 501 S CB -0.289 62.894 63.200 -0.027 0.000 0.773 501 S HN 1.000 nan 8.310 nan 0.000 0.507 502 T N -0.887 113.632 114.554 -0.058 0.000 2.864 502 T HA 0.546 4.896 4.350 -0.000 0.000 0.299 502 T C -0.223 174.412 174.700 -0.107 0.000 1.166 502 T CA -0.668 61.378 62.100 -0.090 0.000 1.007 502 T CB 1.733 70.541 68.868 -0.099 0.000 1.219 502 T HN 0.085 nan 8.240 nan 0.000 0.506 513 P HA 0.285 nan 4.420 nan 0.000 0.274 513 P C -0.922 176.405 177.300 0.046 0.000 1.256 513 P CA -0.546 62.573 63.100 0.032 0.000 0.795 513 P CB 1.136 32.871 31.700 0.059 0.000 1.038 514 L N 1.529 122.732 121.223 -0.034 0.000 2.513 514 L HA 0.017 4.357 4.340 -0.000 0.000 0.272 514 L C 0.296 177.193 176.870 0.045 0.000 1.187 514 L CA 0.647 55.456 54.840 -0.052 0.000 0.895 514 L CB -0.322 41.655 42.059 -0.137 0.000 1.147 514 L HN 0.212 nan 8.230 nan 0.000 0.483 515 Q N 3.596 123.466 119.800 0.117 0.000 2.230 515 Q HA 0.363 4.703 4.340 -0.000 0.000 0.248 515 Q C -0.936 175.156 176.000 0.153 0.000 0.915 515 Q CA -0.501 55.420 55.803 0.198 0.000 0.900 515 Q CB 1.425 30.428 28.738 0.442 0.000 1.229 515 Q HN 0.576 nan 8.270 nan 0.000 0.439 516 D N -0.657 119.903 120.400 0.266 0.000 2.269 516 D HA 0.724 5.364 4.640 -0.000 0.000 0.244 516 D C 0.535 177.076 176.300 0.403 0.000 0.992 516 D CA -0.254 53.906 54.000 0.268 0.000 0.894 516 D CB 1.982 42.883 40.800 0.167 0.000 1.248 516 D HN 0.651 nan 8.370 nan 0.000 0.468 517 G N -0.165 108.845 108.800 0.349 0.000 2.467 517 G HA2 0.019 3.979 3.960 -0.000 0.000 0.103 517 G HA3 0.019 3.979 3.960 -0.000 0.000 0.103 517 G C -1.336 173.668 174.900 0.174 0.000 1.456 517 G CA -0.486 44.731 45.100 0.195 0.000 1.071 517 G HN 0.367 nan 8.290 nan 0.000 0.307 518 F N 2.136 122.120 119.950 0.057 0.000 2.562 518 F HA 0.586 5.113 4.527 -0.000 0.000 0.319 518 F C 1.237 177.094 175.800 0.094 0.000 1.154 518 F CA 0.332 58.381 58.000 0.081 0.000 0.931 518 F CB 1.854 40.935 39.000 0.136 0.000 1.198 518 F HN 0.616 nan 8.300 nan 0.000 0.444 519 G N 5.078 113.649 108.800 -0.381 0.000 2.719 519 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.219 519 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.219 519 G C 1.113 176.144 174.900 0.219 0.000 1.234 519 G CA 1.683 46.742 45.100 -0.068 0.000 0.788 519 G HN 0.902 nan 8.290 nan 0.000 0.619 520 W N 0.989 122.370 121.300 0.134 0.000 2.425 520 W HA 0.155 4.815 4.660 -0.000 0.000 0.277 520 W C 2.029 178.653 176.519 0.174 0.000 1.231 520 W CA 1.464 58.901 57.345 0.153 0.000 1.248 520 W CB -1.440 28.042 29.460 0.038 0.000 1.117 520 W HN 0.123 nan 8.180 nan 0.000 0.568 521 T N 1.826 116.819 114.554 0.732 0.000 2.777 521 T HA -0.202 4.148 4.350 -0.000 0.000 0.266 521 T C 1.524 176.399 174.700 0.292 0.000 1.040 521 T CA 1.912 64.317 62.100 0.509 0.000 1.141 521 T CB -0.411 68.811 68.868 0.590 0.000 0.868 521 T HN 0.102 nan 8.240 nan 0.000 0.444 522 N N 1.152 119.994 118.700 0.236 0.000 2.120 522 N HA -0.016 4.724 4.740 -0.000 0.000 0.188 522 N C 2.113 177.707 175.510 0.139 0.000 1.024 522 N CA 1.297 54.388 53.050 0.069 0.000 0.852 522 N CB -0.888 37.505 38.487 -0.157 0.000 1.003 522 N HN 0.471 nan 8.380 nan 0.000 0.424 523 G N 0.432 109.384 108.800 0.253 0.000 2.404 523 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.215 523 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.215 523 G C 1.605 176.486 174.900 -0.030 0.000 1.174 523 G CA 0.718 45.923 45.100 0.174 0.000 0.780 523 G HN 0.196 nan 8.290 nan 0.000 0.537 524 V N 0.993 120.901 119.914 -0.011 0.000 2.515 524 V HA -0.155 3.965 4.120 -0.000 0.000 0.250 524 V C 3.133 179.170 176.094 -0.095 0.000 1.058 524 V CA 2.236 64.444 62.300 -0.154 0.000 1.064 524 V CB -0.735 31.065 31.823 -0.039 0.000 0.675 524 V HN 0.371 nan 8.190 nan 0.000 0.461 525 T N 0.480 115.040 114.554 0.010 0.000 2.746 525 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 525 T C 1.897 176.554 174.700 -0.071 0.000 1.039 525 T CA 1.452 63.543 62.100 -0.016 0.000 1.142 525 T CB -0.275 68.572 68.868 -0.035 0.000 0.866 525 T HN 0.303 nan 8.240 nan 0.000 0.444 526 L N 0.589 121.773 121.223 -0.066 0.000 2.012 526 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 526 L C 2.766 179.566 176.870 -0.117 0.000 1.073 526 L CA 1.206 56.005 54.840 -0.067 0.000 0.748 526 L CB -0.527 41.528 42.059 -0.008 0.000 0.891 526 L HN 0.130 nan 8.230 nan 0.000 0.431 527 K N -0.260 119.997 120.400 -0.238 0.000 2.057 527 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 527 K C 2.038 178.555 176.600 -0.138 0.000 1.050 527 K CA 1.450 57.533 56.287 -0.340 0.000 0.935 527 K CB -0.313 31.581 32.500 -1.010 0.000 0.715 527 K HN 0.356 nan 8.250 nan 0.000 0.439 528 M N 0.430 119.973 119.600 -0.094 0.000 2.200 528 M HA -0.076 4.403 4.480 -0.000 0.000 0.265 528 M C 2.245 178.511 176.300 -0.055 0.000 1.066 528 M CA 1.156 56.486 55.300 0.049 0.000 1.127 528 M CB -0.265 32.386 32.600 0.084 0.000 1.379 528 M HN 0.012 nan 8.290 nan 0.000 0.420 529 L N 0.086 121.253 121.223 -0.093 0.000 2.042 529 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 529 L C 1.881 178.704 176.870 -0.079 0.000 1.076 529 L CA 1.096 55.862 54.840 -0.123 0.000 0.749 529 L CB -0.661 41.336 42.059 -0.104 0.000 0.893 529 L HN 0.278 nan 8.230 nan 0.000 0.432 530 D N -0.306 120.073 120.400 -0.036 0.000 2.144 530 D HA -0.170 4.470 4.640 -0.000 0.000 0.200 530 D C 2.255 178.571 176.300 0.028 0.000 0.978 530 D CA 0.882 54.883 54.000 0.002 0.000 0.833 530 D CB -0.057 40.754 40.800 0.019 0.000 0.961 530 D HN 0.232 nan 8.370 nan 0.000 0.470 531 L N 0.861 122.114 121.223 0.049 0.000 2.027 531 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 531 L C 2.299 179.188 176.870 0.032 0.000 1.074 531 L CA 1.129 56.019 54.840 0.084 0.000 0.745 531 L CB -0.215 41.936 42.059 0.154 0.000 0.898 531 L HN 0.073 nan 8.230 nan 0.000 0.433 532 I N -3.460 117.065 120.570 -0.075 0.000 3.059 532 I HA -0.021 4.149 4.170 -0.000 0.000 0.270 532 I C 0.744 176.869 176.117 0.013 0.000 1.238 532 I CA -0.096 61.128 61.300 -0.126 0.000 1.478 532 I CB -0.417 37.159 38.000 -0.708 0.000 1.097 532 I HN 0.071 nan 8.210 nan 0.000 0.455 533 c N 1.713 120.313 118.600 0.001 0.000 2.454 533 c HA 0.572 5.142 4.570 -0.000 0.000 0.336 533 c C -2.124 172.007 174.090 0.068 0.000 1.189 533 c CA -1.160 55.204 56.329 0.059 0.000 1.877 533 c CB 0.902 43.426 42.510 0.024 0.000 2.348 533 c HN 0.191 nan 8.230 nan 0.000 0.508 534 P HA 0.201 nan 4.420 nan 0.000 0.267 534 P C 0.721 178.052 177.300 0.053 0.000 1.200 534 P CA 0.395 63.535 63.100 0.067 0.000 0.772 534 P CB 0.474 32.213 31.700 0.065 0.000 0.855 535 K N 2.812 123.242 120.400 0.050 0.000 2.074 535 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 535 K C 1.429 178.052 176.600 0.039 0.000 1.048 535 K CA 1.669 57.983 56.287 0.044 0.000 0.926 535 K CB -1.062 31.465 32.500 0.045 0.000 0.713 535 K HN 0.577 nan 8.250 nan 0.000 0.444 536 E N 0.135 120.358 120.200 0.039 0.000 2.489 536 E HA 0.010 4.360 4.350 -0.000 0.000 0.193 536 E C -0.039 176.583 176.600 0.035 0.000 1.057 536 E CA 0.289 56.710 56.400 0.035 0.000 0.866 536 E CB 0.610 30.330 29.700 0.033 0.000 0.916 536 E HN 0.754 nan 8.360 nan 0.000 0.500 537 Q N 1.326 121.149 119.800 0.040 0.000 3.075 537 Q HA 0.215 4.555 4.340 -0.000 0.000 0.318 537 Q C -2.461 173.562 176.000 0.038 0.000 0.907 537 Q CA -1.613 54.214 55.803 0.040 0.000 0.882 537 Q CB 1.455 30.222 28.738 0.048 0.000 1.386 537 Q HN 0.016 nan 8.270 nan 0.000 0.408 538 P HA -0.003 nan 4.420 nan 0.000 0.269 538 P C -0.347 176.962 177.300 0.016 0.000 1.209 538 P CA -0.082 63.031 63.100 0.021 0.000 0.776 538 P CB 0.936 32.647 31.700 0.019 0.000 0.876 539 c N 2.215 120.816 118.600 0.002 0.000 2.366 539 c HA 0.290 4.860 4.570 -0.000 0.000 0.345 539 c C 1.547 175.626 174.090 -0.018 0.000 1.209 539 c CA -0.228 56.098 56.329 -0.005 0.000 2.050 539 c CB 0.639 43.136 42.510 -0.021 0.000 2.359 539 c HN 0.594 nan 8.230 nan 0.000 0.527 540 D N 0.526 120.919 120.400 -0.012 0.000 2.423 540 D HA 0.103 4.743 4.640 -0.000 0.000 0.208 540 D C 0.042 176.319 176.300 -0.039 0.000 1.068 540 D CA 0.754 54.741 54.000 -0.022 0.000 0.860 540 D CB 0.307 41.105 40.800 -0.003 0.000 0.992 540 D HN 0.560 nan 8.370 nan 0.000 0.504 541 N N 0.053 118.740 118.700 -0.022 0.000 2.262 541 N HA 0.220 4.960 4.740 -0.000 0.000 0.295 541 N C -0.646 174.850 175.510 -0.022 0.000 1.161 541 N CA -0.524 52.514 53.050 -0.021 0.000 0.767 541 N CB 3.046 41.549 38.487 0.026 0.000 1.499 541 N HN -0.289 nan 8.380 nan 0.000 0.476 542 V N 2.545 122.438 119.914 -0.034 0.000 2.529 542 V HA 0.123 4.243 4.120 -0.000 0.000 0.292 542 V C -1.783 174.359 176.094 0.079 0.000 1.028 542 V CA -0.763 61.512 62.300 -0.042 0.000 1.074 542 V CB -0.027 31.764 31.823 -0.053 0.000 0.958 542 V HN 0.529 nan 8.190 nan 0.000 0.481 543 P HA 0.144 nan 4.420 nan 0.000 0.269 543 P C 0.511 177.968 177.300 0.262 0.000 1.215 543 P CA 0.003 63.240 63.100 0.229 0.000 0.780 543 P CB 0.734 32.634 31.700 0.333 0.000 0.898 544 A N 1.763 124.678 122.820 0.159 0.000 2.016 544 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 544 A C 0.710 178.347 177.584 0.088 0.000 1.162 544 A CA 1.408 53.516 52.037 0.118 0.000 0.662 544 A CB -0.604 18.438 19.000 0.071 0.000 0.812 544 A HN 0.557 nan 8.150 nan 0.000 0.450 545 T N 0.126 114.719 114.554 0.065 0.000 2.809 545 T HA 0.486 4.836 4.350 -0.000 0.000 0.284 545 T C 0.041 174.665 174.700 -0.126 0.000 0.992 545 T CA -0.664 61.416 62.100 -0.033 0.000 0.957 545 T CB 1.718 70.569 68.868 -0.029 0.000 0.942 545 T HN 0.581 nan 8.240 nan 0.000 0.439 546 R N 0.000 120.244 120.500 -0.426 0.000 2.786 546 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 546 R CA 0.000 55.493 56.100 -1.012 0.000 0.921 546 R CB 0.000 29.422 30.300 -1.464 0.000 0.687 546 R HN 0.000 nan 8.270 nan 0.000 0.535