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 3gzn_1_D DATA FIRST_RESID 33 DATA SEQUENCE DWEGRWNHVK KFLERSGPFT HPDFEPSTES LQFLLDTCKV LVIGAGGLGC DATA SEQUENCE ELLKNLALSG FRQIHVIDMD TIDVSNLNRQ FLFRPKDIGR PKAEVAAEFL DATA SEQUENCE NDRVPNCNVV PHFNKIQDFN DTFYRQFHII VCGLDSIIAR RWINGMLISL DATA SEQUENCE LNYEDGVLDP SSIVPLIDGG TEGFKGNARV ILPGMTACIE CTLELYPPQV DATA SEQUENCE NFPMCTIASM PRLPEHCIEY VRMLQWPKEQ PFGEGVPLDG DDPEHIQWIF DATA SEQUENCE QKSLERASQY NIRGVTYRLT QGVVKRIIPA VASTNAVIAA VCATEVFKIA DATA SEQUENCE TSAYIPLNNY LVFNDVDGLY TYTFEAERKE NCPACSQLPQ NIQFSPSAKL DATA SEQUENCE QEVLDYLTNS ASLQMKSPAI TATLEGKNRT LYLQSVTSIE ERTRPNLSKX DATA SEQUENCE LKELGLVDGQ ELAVADVTTP QTVLFKLHFT 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 33 D HA 0.000 nan 4.640 nan 0.000 0.175 33 D C 0.000 176.298 176.300 -0.004 0.000 2.045 33 D CA 0.000 53.918 54.000 -0.136 0.000 0.868 33 D CB 0.000 40.747 40.800 -0.088 0.000 0.688 34 W N -0.274 120.979 121.300 -0.079 0.000 3.029 34 W HA 0.653 5.313 4.660 -0.000 0.000 0.339 34 W C -0.152 176.323 176.519 -0.073 0.000 1.198 34 W CA -1.134 56.172 57.345 -0.066 0.000 1.148 34 W CB 0.098 29.511 29.460 -0.077 0.000 1.451 34 W HN 0.205 nan 8.180 nan 0.000 0.564 35 E N 1.329 121.695 120.200 0.276 0.000 2.729 35 E HA 0.317 4.666 4.350 -0.000 0.000 0.246 35 E C 1.164 177.869 176.600 0.175 0.000 0.984 35 E CA 2.261 58.755 56.400 0.156 0.000 0.951 35 E CB -0.085 29.689 29.700 0.123 0.000 0.914 35 E HN 1.296 nan 8.360 nan 0.000 0.509 36 G N 4.714 113.532 108.800 0.031 0.000 2.176 36 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.253 36 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.253 36 G C 1.165 176.000 174.900 -0.108 0.000 0.979 36 G CA 0.561 45.659 45.100 -0.004 0.000 0.641 36 G HN 0.628 nan 8.290 nan 0.000 0.530 37 R N -0.319 119.957 120.500 -0.374 0.000 2.112 37 R HA -0.120 4.219 4.340 -0.000 0.000 0.242 37 R C 1.741 177.698 176.300 -0.571 0.000 1.137 37 R CA 2.260 57.867 56.100 -0.821 0.000 0.944 37 R CB -0.304 28.866 30.300 -1.884 0.000 0.857 37 R HN 0.601 nan 8.270 nan 0.000 0.435 38 W N 0.404 121.607 121.300 -0.161 0.000 3.194 38 W HA 0.227 4.887 4.660 -0.000 0.000 0.408 38 W C 0.939 177.437 176.519 -0.034 0.000 1.072 38 W CA -1.042 56.259 57.345 -0.072 0.000 1.953 38 W CB 0.363 29.779 29.460 -0.073 0.000 1.091 38 W HN 0.174 nan 8.180 nan 0.000 0.699 39 N N -0.081 118.656 118.700 0.061 0.000 2.364 39 N HA -0.150 4.590 4.740 -0.000 0.000 0.183 39 N C 0.815 176.290 175.510 -0.059 0.000 1.022 39 N CA 1.230 54.253 53.050 -0.046 0.000 0.883 39 N CB -0.290 38.094 38.487 -0.171 0.000 0.965 39 N HN 0.418 nan 8.380 nan 0.000 0.438 40 H N -1.501 117.671 119.070 0.170 0.000 2.547 40 H HA 0.194 4.750 4.556 -0.000 0.000 0.266 40 H C 1.193 176.703 175.328 0.302 0.000 0.988 40 H CA 0.126 56.293 56.048 0.199 0.000 1.147 40 H CB 0.710 30.569 29.762 0.162 0.000 1.365 40 H HN -0.016 nan 8.280 nan 0.000 0.589 41 V N -0.885 119.260 119.914 0.384 0.000 3.250 41 V HA -0.034 4.086 4.120 -0.000 0.000 0.240 41 V C 1.862 178.183 176.094 0.379 0.000 1.275 41 V CA 0.261 62.799 62.300 0.396 0.000 1.206 41 V CB 0.314 32.298 31.823 0.268 0.000 0.976 41 V HN 0.117 nan 8.190 nan 0.000 0.467 42 K N 0.753 121.297 120.400 0.239 0.000 2.044 42 K HA -0.258 4.062 4.320 -0.000 0.000 0.210 42 K C 2.144 178.805 176.600 0.101 0.000 1.049 42 K CA 1.750 58.129 56.287 0.154 0.000 0.927 42 K CB -0.172 32.391 32.500 0.105 0.000 0.713 42 K HN 0.150 nan 8.250 nan 0.000 0.443 43 K N 0.021 120.415 120.400 -0.011 0.000 2.173 43 K HA -0.153 4.166 4.320 -0.000 0.000 0.207 43 K C 1.517 177.954 176.600 -0.271 0.000 1.046 43 K CA 1.562 57.716 56.287 -0.221 0.000 0.929 43 K CB -0.181 32.047 32.500 -0.454 0.000 0.720 43 K HN 0.150 nan 8.250 nan 0.000 0.453 44 F N -1.086 118.970 119.950 0.177 0.000 2.776 44 F HA 0.172 4.699 4.527 -0.000 0.000 0.300 44 F C 1.346 177.298 175.800 0.252 0.000 1.116 44 F CA 0.210 58.328 58.000 0.195 0.000 1.375 44 F CB 0.225 39.416 39.000 0.317 0.000 1.109 44 F HN -0.118 nan 8.300 nan 0.000 0.585 45 L N -1.289 120.169 121.223 0.392 0.000 2.609 45 L HA 0.162 4.502 4.340 -0.000 0.000 0.230 45 L C 1.761 178.780 176.870 0.249 0.000 1.064 45 L CA 0.446 55.507 54.840 0.369 0.000 0.873 45 L CB -0.033 42.159 42.059 0.222 0.000 1.139 45 L HN -0.005 nan 8.230 nan 0.000 0.490 46 E N 0.435 120.737 120.200 0.169 0.000 2.276 46 E HA 0.100 4.450 4.350 -0.000 0.000 0.193 46 E C 0.283 176.939 176.600 0.093 0.000 0.983 46 E CA 0.121 56.570 56.400 0.083 0.000 0.861 46 E CB 0.607 30.334 29.700 0.045 0.000 0.817 46 E HN 0.320 nan 8.360 nan 0.000 0.485 47 R N 1.034 121.612 120.500 0.130 0.000 2.532 47 R HA 0.294 4.634 4.340 -0.000 0.000 0.295 47 R C -0.054 176.358 176.300 0.187 0.000 0.968 47 R CA -0.379 55.777 56.100 0.093 0.000 0.916 47 R CB 1.805 32.102 30.300 -0.005 0.000 1.124 47 R HN -0.016 nan 8.270 nan 0.000 0.463 48 S N 0.236 116.027 115.700 0.151 0.000 2.681 48 S HA 0.821 5.291 4.470 -0.000 0.000 0.270 48 S C 0.303 174.886 174.600 -0.029 0.000 1.209 48 S CA -0.495 57.798 58.200 0.155 0.000 0.988 48 S CB 1.763 65.041 63.200 0.131 0.000 1.006 48 S HN 0.795 nan 8.310 nan 0.000 0.558 49 G N -0.618 108.117 108.800 -0.108 0.000 2.519 49 G HA2 0.505 4.464 3.960 -0.000 0.000 0.292 49 G HA3 0.505 4.464 3.960 -0.000 0.000 0.292 49 G C -2.888 171.852 174.900 -0.267 0.000 1.507 49 G CA -0.955 44.034 45.100 -0.186 0.000 0.806 49 G HN 0.443 nan 8.290 nan 0.000 0.523 50 P HA 0.038 nan 4.420 nan 0.000 0.215 50 P C 0.964 177.968 177.300 -0.493 0.000 1.153 50 P CA 1.106 63.847 63.100 -0.598 0.000 0.853 50 P CB 0.022 31.063 31.700 -1.099 0.000 0.788 51 F N -0.834 119.122 119.950 0.009 0.000 2.660 51 F HA 0.141 4.668 4.527 -0.000 0.000 0.297 51 F C 1.206 176.993 175.800 -0.023 0.000 1.132 51 F CA -0.604 57.437 58.000 0.069 0.000 1.372 51 F CB -0.990 38.143 39.000 0.221 0.000 1.003 51 F HN -0.161 nan 8.300 nan 0.000 0.524 52 T N -3.418 111.056 114.554 -0.132 0.000 2.868 52 T HA 0.110 4.460 4.350 -0.000 0.000 0.292 52 T C -0.195 174.486 174.700 -0.031 0.000 1.028 52 T CA -0.528 61.389 62.100 -0.305 0.000 1.059 52 T CB 0.895 69.447 68.868 -0.526 0.000 0.991 52 T HN 0.262 nan 8.240 nan 0.000 0.531 53 H N 3.123 122.163 119.070 -0.050 0.000 2.928 53 H HA 0.196 4.752 4.556 -0.000 0.000 0.338 53 H C -1.391 173.984 175.328 0.078 0.000 1.047 53 H CA -1.098 54.980 56.048 0.049 0.000 1.435 53 H CB 0.632 30.436 29.762 0.070 0.000 1.428 53 H HN 0.363 nan 8.280 nan 0.000 0.590 54 P HA -0.246 nan 4.420 nan 0.000 0.219 54 P C 0.526 177.860 177.300 0.056 0.000 1.153 54 P CA 1.653 64.668 63.100 -0.141 0.000 0.865 54 P CB 0.304 31.840 31.700 -0.274 0.000 0.788 55 D N -2.325 118.237 120.400 0.271 0.000 2.355 55 D HA 0.005 4.645 4.640 -0.000 0.000 0.218 55 D C 0.508 176.924 176.300 0.193 0.000 1.004 55 D CA -0.075 54.075 54.000 0.250 0.000 0.880 55 D CB -0.735 40.244 40.800 0.299 0.000 0.911 55 D HN 0.155 nan 8.370 nan 0.000 0.528 56 F N 2.075 122.076 119.950 0.085 0.000 2.608 56 F HA 0.063 4.589 4.527 -0.000 0.000 0.380 56 F C 0.206 175.998 175.800 -0.013 0.000 1.083 56 F CA -0.059 57.952 58.000 0.018 0.000 1.266 56 F CB 0.445 39.447 39.000 0.003 0.000 1.076 56 F HN -0.253 nan 8.300 nan 0.000 0.574 57 E N 7.460 127.190 120.200 -0.784 0.000 2.185 57 E HA 0.316 4.666 4.350 -0.000 0.000 0.261 57 E C -2.485 173.530 176.600 -0.974 0.000 0.879 57 E CA -2.136 53.847 56.400 -0.696 0.000 0.756 57 E CB 1.197 30.686 29.700 -0.352 0.000 1.152 57 E HN 0.354 nan 8.360 nan 0.000 0.416 58 P HA 0.048 nan 4.420 nan 0.000 0.271 58 P C -0.949 176.206 177.300 -0.241 0.000 1.226 58 P CA -0.039 62.822 63.100 -0.398 0.000 0.765 58 P CB 0.924 32.563 31.700 -0.102 0.000 0.835 59 S N 1.215 116.811 115.700 -0.174 0.000 2.547 59 S HA 0.382 4.852 4.470 -0.000 0.000 0.270 59 S C 0.880 175.443 174.600 -0.062 0.000 1.150 59 S CA -0.161 57.966 58.200 -0.121 0.000 0.850 59 S CB 0.659 63.765 63.200 -0.156 0.000 1.118 59 S HN 0.422 nan 8.310 nan 0.000 0.461 60 T N -0.150 114.377 114.554 -0.045 0.000 3.067 60 T HA 0.105 4.455 4.350 -0.000 0.000 0.261 60 T C 0.907 175.597 174.700 -0.017 0.000 1.110 60 T CA 0.946 63.035 62.100 -0.019 0.000 1.113 60 T CB -0.379 68.481 68.868 -0.012 0.000 0.917 60 T HN 0.773 nan 8.240 nan 0.000 0.499 61 E N 0.965 121.144 120.200 -0.035 0.000 2.423 61 E HA 0.308 4.658 4.350 -0.000 0.000 0.198 61 E C 0.939 177.535 176.600 -0.007 0.000 1.038 61 E CA -0.243 56.145 56.400 -0.020 0.000 1.011 61 E CB 0.197 29.878 29.700 -0.031 0.000 1.118 61 E HN 0.318 nan 8.360 nan 0.000 0.451 62 S N 0.837 116.524 115.700 -0.021 0.000 2.377 62 S HA -0.086 4.383 4.470 -0.000 0.000 0.223 62 S C 1.663 176.271 174.600 0.013 0.000 1.030 62 S CA 0.649 58.850 58.200 0.002 0.000 0.970 62 S CB -0.143 63.037 63.200 -0.033 0.000 0.830 62 S HN 0.361 nan 8.310 nan 0.000 0.473 63 L N 2.074 123.279 121.223 -0.030 0.000 1.976 63 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 63 L C 2.306 179.093 176.870 -0.138 0.000 1.071 63 L CA 1.976 56.746 54.840 -0.116 0.000 0.746 63 L CB -1.034 40.955 42.059 -0.116 0.000 0.890 63 L HN 0.126 nan 8.230 nan 0.000 0.432 64 Q N -0.971 118.794 119.800 -0.058 0.000 2.135 64 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 64 Q C 2.069 178.078 176.000 0.015 0.000 0.981 64 Q CA 2.149 57.934 55.803 -0.030 0.000 0.856 64 Q CB -0.720 28.026 28.738 0.014 0.000 0.902 64 Q HN 0.598 nan 8.270 nan 0.000 0.425 65 F N -0.373 119.518 119.950 -0.098 0.000 2.234 65 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 65 F C 1.656 177.400 175.800 -0.093 0.000 1.087 65 F CA 0.985 58.936 58.000 -0.081 0.000 1.340 65 F CB -0.361 38.592 39.000 -0.080 0.000 1.031 65 F HN 0.243 nan 8.300 nan 0.000 0.500 66 L N 0.236 121.343 121.223 -0.194 0.000 1.988 66 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 66 L C 2.237 178.916 176.870 -0.318 0.000 1.071 66 L CA 1.821 56.460 54.840 -0.334 0.000 0.744 66 L CB -1.004 40.827 42.059 -0.379 0.000 0.893 66 L HN 0.182 nan 8.230 nan 0.000 0.433 67 L N -0.400 120.649 121.223 -0.290 0.000 2.081 67 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 67 L C 2.065 178.858 176.870 -0.128 0.000 1.080 67 L CA 1.475 56.180 54.840 -0.226 0.000 0.754 67 L CB -0.644 41.283 42.059 -0.220 0.000 0.893 67 L HN 0.396 nan 8.230 nan 0.000 0.433 68 D N -1.678 118.642 120.400 -0.134 0.000 2.201 68 D HA -0.074 4.565 4.640 -0.000 0.000 0.209 68 D C 2.119 178.346 176.300 -0.122 0.000 0.961 68 D CA 1.868 55.814 54.000 -0.090 0.000 0.861 68 D CB 0.138 40.911 40.800 -0.046 0.000 0.997 68 D HN 0.360 nan 8.370 nan 0.000 0.486 69 T N -3.043 111.365 114.554 -0.243 0.000 2.955 69 T HA 0.086 4.436 4.350 -0.000 0.000 0.251 69 T C 1.105 175.684 174.700 -0.201 0.000 1.002 69 T CA -0.342 61.609 62.100 -0.249 0.000 0.970 69 T CB -0.542 68.104 68.868 -0.371 0.000 1.091 69 T HN 0.065 nan 8.240 nan 0.000 0.495 70 C N 4.074 123.264 119.300 -0.184 0.000 2.610 70 C HA 0.379 4.839 4.460 -0.000 0.000 0.382 70 C C 0.456 175.430 174.990 -0.028 0.000 1.287 70 C CA -0.719 58.319 59.018 0.033 0.000 1.640 70 C CB -1.710 26.099 27.740 0.115 0.000 2.335 70 C HN 0.386 nan 8.230 nan 0.000 0.577 71 K N 4.960 125.137 120.400 -0.371 0.000 2.285 71 K HA 0.454 4.774 4.320 -0.000 0.000 0.286 71 K C -0.635 175.948 176.600 -0.028 0.000 1.072 71 K CA -0.183 55.948 56.287 -0.260 0.000 0.913 71 K CB 1.077 33.242 32.500 -0.557 0.000 1.067 71 K HN 0.536 nan 8.250 nan 0.000 0.479 72 V N 5.109 125.089 119.914 0.110 0.000 2.495 72 V HA 0.302 4.422 4.120 -0.000 0.000 0.298 72 V C -0.677 175.430 176.094 0.022 0.000 1.031 72 V CA -1.024 61.293 62.300 0.029 0.000 0.871 72 V CB 1.653 33.359 31.823 -0.194 0.000 0.988 72 V HN 0.559 nan 8.190 nan 0.000 0.432 73 L N 6.392 127.467 121.223 -0.247 0.000 2.287 73 L HA 0.669 5.009 4.340 -0.000 0.000 0.287 73 L C -0.518 176.203 176.870 -0.248 0.000 1.022 73 L CA 0.132 54.673 54.840 -0.498 0.000 0.814 73 L CB 1.608 42.867 42.059 -1.334 0.000 1.217 73 L HN 0.441 nan 8.230 nan 0.000 0.420 74 V N 6.861 126.701 119.914 -0.123 0.000 2.394 74 V HA 0.420 4.540 4.120 -0.000 0.000 0.282 74 V C 0.159 176.234 176.094 -0.031 0.000 1.031 74 V CA -0.361 61.895 62.300 -0.072 0.000 0.881 74 V CB 1.494 33.292 31.823 -0.042 0.000 0.982 74 V HN 0.593 nan 8.190 nan 0.000 0.451 75 I N 4.654 125.210 120.570 -0.023 0.000 2.328 75 I HA 0.704 4.874 4.170 -0.000 0.000 0.287 75 I C 0.600 176.731 176.117 0.023 0.000 1.012 75 I CA -0.157 61.154 61.300 0.020 0.000 1.195 75 I CB 1.305 39.324 38.000 0.032 0.000 1.350 75 I HN 0.861 nan 8.210 nan 0.000 0.464 76 G N 4.387 113.213 108.800 0.043 0.000 3.225 76 G HA2 0.088 4.047 3.960 -0.000 0.000 0.686 76 G HA3 0.088 4.047 3.960 -0.000 0.000 0.686 76 G C -0.280 174.638 174.900 0.029 0.000 1.105 76 G CA -0.323 44.801 45.100 0.039 0.000 0.831 76 G HN 0.908 nan 8.290 nan 0.000 0.578 77 A N 1.675 124.527 122.820 0.054 0.000 2.708 77 A HA 0.765 5.085 4.320 -0.000 0.000 0.293 77 A C 1.484 179.107 177.584 0.065 0.000 1.303 77 A CA 1.215 53.283 52.037 0.053 0.000 0.949 77 A CB -0.241 18.837 19.000 0.129 0.000 1.121 77 A HN 2.076 nan 8.150 nan 0.000 0.542 78 G N -0.476 108.340 108.800 0.028 0.000 2.666 78 G HA2 0.402 4.362 3.960 -0.000 0.000 0.207 78 G HA3 0.402 4.362 3.960 -0.000 0.000 0.207 78 G C 1.196 176.060 174.900 -0.061 0.000 1.481 78 G CA 0.267 45.384 45.100 0.028 0.000 1.071 78 G HN 0.471 nan 8.290 nan 0.000 0.572 79 G N -0.302 108.477 108.800 -0.035 0.000 2.587 79 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 79 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 79 G C 1.837 176.709 174.900 -0.047 0.000 1.240 79 G CA 1.048 46.122 45.100 -0.043 0.000 0.794 79 G HN 0.351 nan 8.290 nan 0.000 0.580 80 L N 0.860 122.064 121.223 -0.032 0.000 2.046 80 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 80 L C 3.241 180.081 176.870 -0.049 0.000 1.077 80 L CA 1.118 55.939 54.840 -0.032 0.000 0.747 80 L CB -0.749 41.294 42.059 -0.026 0.000 0.896 80 L HN 0.372 nan 8.230 nan 0.000 0.432 81 G N -0.869 107.896 108.800 -0.059 0.000 2.459 81 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 81 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 81 G C 1.645 176.468 174.900 -0.128 0.000 1.183 81 G CA 1.034 46.092 45.100 -0.070 0.000 0.776 81 G HN 0.415 nan 8.290 nan 0.000 0.552 82 C N -0.038 119.116 119.300 -0.242 0.000 2.413 82 C HA -0.010 4.450 4.460 -0.000 0.000 0.276 82 C C 2.773 177.600 174.990 -0.270 0.000 1.248 82 C CA 1.274 60.007 59.018 -0.477 0.000 1.742 82 C CB -0.701 26.477 27.740 -0.937 0.000 2.017 82 C HN 0.640 nan 8.230 nan 0.000 0.481 83 E N 0.524 120.701 120.200 -0.038 0.000 2.072 83 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 83 E C 2.031 178.667 176.600 0.060 0.000 0.985 83 E CA 0.953 57.448 56.400 0.159 0.000 0.801 83 E CB -0.264 29.508 29.700 0.120 0.000 0.750 83 E HN 0.563 nan 8.360 nan 0.000 0.452 84 L N 0.010 121.230 121.223 -0.005 0.000 2.012 84 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 84 L C 2.472 179.338 176.870 -0.006 0.000 1.073 84 L CA 1.071 55.898 54.840 -0.021 0.000 0.748 84 L CB -0.486 41.544 42.059 -0.048 0.000 0.891 84 L HN 0.241 nan 8.230 nan 0.000 0.431 85 L N -0.097 121.117 121.223 -0.015 0.000 2.012 85 L HA -0.284 4.056 4.340 -0.000 0.000 0.210 85 L C 2.781 179.691 176.870 0.066 0.000 1.073 85 L CA 1.627 56.471 54.840 0.007 0.000 0.748 85 L CB -0.502 41.535 42.059 -0.037 0.000 0.891 85 L HN 0.294 nan 8.230 nan 0.000 0.431 86 K N 0.087 120.545 120.400 0.097 0.000 2.009 86 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 86 K C 1.921 178.596 176.600 0.126 0.000 1.049 86 K CA 1.921 58.303 56.287 0.158 0.000 0.929 86 K CB -0.084 32.573 32.500 0.261 0.000 0.714 86 K HN 0.254 nan 8.250 nan 0.000 0.440 87 N N 0.836 119.590 118.700 0.090 0.000 2.223 87 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 87 N C 1.864 177.441 175.510 0.112 0.000 1.016 87 N CA 1.167 54.258 53.050 0.067 0.000 0.863 87 N CB -0.160 38.341 38.487 0.022 0.000 0.983 87 N HN 0.252 nan 8.380 nan 0.000 0.429 88 L N 0.292 121.587 121.223 0.121 0.000 2.068 88 L HA 0.057 4.397 4.340 -0.000 0.000 0.204 88 L C 2.444 179.507 176.870 0.321 0.000 1.076 88 L CA 0.832 55.803 54.840 0.219 0.000 0.753 88 L CB -0.578 41.498 42.059 0.028 0.000 0.910 88 L HN 0.033 nan 8.230 nan 0.000 0.439 89 A N 0.380 123.343 122.820 0.238 0.000 1.948 89 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 89 A C 2.137 179.918 177.584 0.328 0.000 1.177 89 A CA 1.706 53.900 52.037 0.261 0.000 0.636 89 A CB -0.809 18.322 19.000 0.218 0.000 0.815 89 A HN 0.423 nan 8.150 nan 0.000 0.449 90 L N -0.660 120.733 121.223 0.283 0.000 2.591 90 L HA 0.073 4.413 4.340 -0.000 0.000 0.228 90 L C 1.548 178.614 176.870 0.326 0.000 1.133 90 L CA 0.410 55.445 54.840 0.326 0.000 0.880 90 L CB 0.154 42.331 42.059 0.196 0.000 1.033 90 L HN 0.229 nan 8.230 nan 0.000 0.450 91 S N -0.468 115.371 115.700 0.232 0.000 2.539 91 S HA 0.285 4.755 4.470 -0.000 0.000 0.221 91 S C 1.360 175.928 174.600 -0.052 0.000 0.987 91 S CA 0.598 58.860 58.200 0.104 0.000 0.929 91 S CB 0.884 64.202 63.200 0.196 0.000 0.832 91 S HN 0.578 nan 8.310 nan 0.000 0.492 92 G N 1.079 109.727 108.800 -0.253 0.000 2.163 92 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.213 92 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.213 92 G C -0.090 174.476 174.900 -0.557 0.000 0.991 92 G CA -0.702 43.951 45.100 -0.744 0.000 0.653 92 G HN 0.405 nan 8.290 nan 0.000 0.518 93 F N 0.042 119.947 119.950 -0.076 0.000 2.399 93 F HA 0.707 5.234 4.527 -0.000 0.000 0.342 93 F C 1.538 177.335 175.800 -0.005 0.000 1.106 93 F CA 0.178 58.161 58.000 -0.029 0.000 1.196 93 F CB 1.427 40.442 39.000 0.026 0.000 1.163 93 F HN 0.031 nan 8.300 nan 0.000 0.547 94 R N -0.078 120.520 120.500 0.163 0.000 2.551 94 R HA 0.143 4.483 4.340 -0.000 0.000 0.202 94 R C -0.234 176.136 176.300 0.116 0.000 0.861 94 R CA 0.026 56.197 56.100 0.119 0.000 1.018 94 R CB 0.431 30.766 30.300 0.059 0.000 1.435 94 R HN 0.475 nan 8.270 nan 0.000 0.659 95 Q N 1.862 121.732 119.800 0.116 0.000 2.553 95 Q HA 0.302 4.642 4.340 -0.000 0.000 0.221 95 Q C -0.772 175.349 176.000 0.203 0.000 1.219 95 Q CA 0.359 56.236 55.803 0.123 0.000 0.955 95 Q CB 0.689 29.472 28.738 0.075 0.000 1.399 95 Q HN 0.349 nan 8.270 nan 0.000 0.551 96 I N 1.938 122.618 120.570 0.183 0.000 2.509 96 I HA 0.354 4.524 4.170 -0.000 0.000 0.293 96 I C 0.171 176.411 176.117 0.205 0.000 1.020 96 I CA -0.731 60.688 61.300 0.198 0.000 1.088 96 I CB 1.684 39.750 38.000 0.110 0.000 1.267 96 I HN 0.392 nan 8.210 nan 0.000 0.430 97 H N 4.402 123.543 119.070 0.119 0.000 2.621 97 H HA 0.701 5.256 4.556 -0.000 0.000 0.360 97 H C -0.972 174.405 175.328 0.081 0.000 1.163 97 H CA -0.920 55.222 56.048 0.156 0.000 1.194 97 H CB 2.887 32.875 29.762 0.376 0.000 1.649 97 H HN 0.370 nan 8.280 nan 0.000 0.532 98 V N 0.521 120.562 119.914 0.212 0.000 2.709 98 V HA 0.546 4.666 4.120 -0.000 0.000 0.308 98 V C -0.429 175.812 176.094 0.245 0.000 1.062 98 V CA -0.908 61.487 62.300 0.157 0.000 0.901 98 V CB 1.755 33.628 31.823 0.083 0.000 1.003 98 V HN 0.555 nan 8.190 nan 0.000 0.425 99 I N 3.557 124.251 120.570 0.207 0.000 2.433 99 I HA 0.716 4.886 4.170 -0.000 0.000 0.292 99 I C -0.826 175.397 176.117 0.176 0.000 1.001 99 I CA 0.026 61.473 61.300 0.244 0.000 1.119 99 I CB 1.813 39.953 38.000 0.232 0.000 1.289 99 I HN 0.796 nan 8.210 nan 0.000 0.438 100 D N 5.958 126.478 120.400 0.199 0.000 2.803 100 D HA 0.297 4.936 4.640 -0.000 0.000 0.218 100 D C -0.140 176.303 176.300 0.239 0.000 1.245 100 D CA -0.489 53.607 54.000 0.160 0.000 0.821 100 D CB 2.040 42.911 40.800 0.119 0.000 1.626 100 D HN 0.623 nan 8.370 nan 0.000 0.487 101 M N 0.237 119.946 119.600 0.182 0.000 2.461 101 M HA 0.362 4.842 4.480 -0.000 0.000 0.255 101 M C -0.152 176.325 176.300 0.296 0.000 1.137 101 M CA 0.032 55.464 55.300 0.219 0.000 1.086 101 M CB 0.379 33.006 32.600 0.045 0.000 1.356 101 M HN -0.078 nan 8.290 nan 0.000 0.487 102 D N 3.021 123.509 120.400 0.147 0.000 2.358 102 D HA 0.280 4.920 4.640 -0.000 0.000 0.244 102 D C 0.275 176.557 176.300 -0.030 0.000 1.163 102 D CA 0.397 54.434 54.000 0.061 0.000 0.945 102 D CB 1.273 42.073 40.800 0.001 0.000 1.152 102 D HN 0.336 nan 8.370 nan 0.000 0.451 103 T N -1.937 112.566 114.554 -0.084 0.000 2.897 103 T HA 0.580 4.930 4.350 -0.000 0.000 0.278 103 T C 0.632 175.180 174.700 -0.253 0.000 0.981 103 T CA -0.844 61.129 62.100 -0.212 0.000 0.973 103 T CB 0.455 69.233 68.868 -0.150 0.000 1.092 103 T HN 0.212 nan 8.240 nan 0.000 0.543 104 I N 1.561 121.924 120.570 -0.345 0.000 2.441 104 I HA 0.275 4.445 4.170 -0.000 0.000 0.287 104 I C 0.535 176.535 176.117 -0.196 0.000 1.049 104 I CA -0.224 60.846 61.300 -0.382 0.000 1.381 104 I CB 0.588 38.241 38.000 -0.579 0.000 1.409 104 I HN 0.685 nan 8.210 nan 0.000 0.523 105 D N 4.527 124.849 120.400 -0.129 0.000 2.340 105 D HA 0.137 4.777 4.640 -0.000 0.000 0.240 105 D C 0.686 176.967 176.300 -0.031 0.000 1.001 105 D CA -0.555 53.405 54.000 -0.066 0.000 0.888 105 D CB 2.814 43.586 40.800 -0.047 0.000 1.310 105 D HN 0.321 nan 8.370 nan 0.000 0.474 106 V N 3.103 123.006 119.914 -0.017 0.000 2.392 106 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 106 V C 2.130 178.234 176.094 0.017 0.000 1.059 106 V CA 3.048 65.350 62.300 0.002 0.000 1.051 106 V CB -0.376 31.450 31.823 0.004 0.000 0.658 106 V HN 0.684 nan 8.190 nan 0.000 0.455 107 S N -1.066 114.642 115.700 0.014 0.000 2.522 107 S HA -0.082 4.388 4.470 -0.000 0.000 0.227 107 S C 1.486 176.105 174.600 0.031 0.000 0.986 107 S CA 1.150 59.362 58.200 0.020 0.000 0.929 107 S CB -0.991 62.217 63.200 0.013 0.000 0.769 107 S HN 0.795 nan 8.310 nan 0.000 0.529 108 N N 1.370 120.096 118.700 0.044 0.000 2.289 108 N HA 0.004 4.744 4.740 -0.000 0.000 0.184 108 N C 0.963 176.531 175.510 0.096 0.000 1.016 108 N CA 0.777 53.877 53.050 0.084 0.000 0.872 108 N CB -0.253 38.318 38.487 0.140 0.000 0.973 108 N HN 0.221 nan 8.380 nan 0.000 0.433 109 L N 1.929 123.203 121.223 0.085 0.000 2.353 109 L HA -0.104 4.236 4.340 -0.000 0.000 0.220 109 L C 1.778 178.685 176.870 0.063 0.000 1.133 109 L CA 1.236 56.128 54.840 0.086 0.000 0.798 109 L CB -1.275 40.829 42.059 0.074 0.000 0.922 109 L HN 0.431 nan 8.230 nan 0.000 0.445 110 N N 0.311 119.041 118.700 0.049 0.000 2.461 110 N HA -0.127 4.612 4.740 -0.000 0.000 0.188 110 N C 1.358 176.894 175.510 0.043 0.000 1.134 110 N CA 0.551 53.626 53.050 0.042 0.000 0.878 110 N CB 0.231 38.738 38.487 0.033 0.000 0.972 110 N HN 0.581 nan 8.380 nan 0.000 0.456 111 R N -1.414 119.113 120.500 0.046 0.000 2.700 111 R HA 0.078 4.418 4.340 -0.000 0.000 0.151 111 R C -0.300 176.026 176.300 0.043 0.000 0.918 111 R CA -0.264 55.868 56.100 0.054 0.000 1.891 111 R CB -0.402 29.919 30.300 0.036 0.000 1.667 111 R HN 0.010 nan 8.270 nan 0.000 0.523 112 Q N 2.610 122.386 119.800 -0.041 0.000 2.815 112 Q HA 0.123 4.463 4.340 -0.000 0.000 0.235 112 Q C 0.145 175.854 176.000 -0.486 0.000 1.354 112 Q CA -0.192 55.439 55.803 -0.286 0.000 0.953 112 Q CB -0.041 28.611 28.738 -0.143 0.000 1.613 112 Q HN 0.417 nan 8.270 nan 0.000 0.572 113 F N -1.157 118.565 119.950 -0.380 0.000 2.333 113 F HA -0.099 4.428 4.527 -0.000 0.000 0.300 113 F C 0.982 176.446 175.800 -0.560 0.000 1.083 113 F CA 0.631 58.418 58.000 -0.354 0.000 1.395 113 F CB -0.269 38.566 39.000 -0.275 0.000 1.056 113 F HN 0.249 nan 8.300 nan 0.000 0.529 114 L N -0.433 120.027 121.223 -1.273 0.000 2.622 114 L HA 0.081 4.421 4.340 -0.000 0.000 0.233 114 L C -0.190 176.362 176.870 -0.530 0.000 1.156 114 L CA 0.208 54.266 54.840 -1.303 0.000 0.866 114 L CB -0.757 40.548 42.059 -1.258 0.000 0.980 114 L HN 0.093 nan 8.230 nan 0.000 0.448 115 F N -0.047 119.775 119.950 -0.215 0.000 2.458 115 F HA 0.507 5.034 4.527 -0.000 0.000 0.336 115 F C 0.588 176.393 175.800 0.008 0.000 1.114 115 F CA -1.318 56.644 58.000 -0.064 0.000 0.987 115 F CB 1.160 40.108 39.000 -0.087 0.000 1.130 115 F HN -0.184 nan 8.300 nan 0.000 0.458 116 R N 2.462 123.112 120.500 0.248 0.000 2.758 116 R HA 0.370 4.710 4.340 -0.000 0.000 0.265 116 R C -1.963 174.402 176.300 0.109 0.000 1.016 116 R CA -2.566 53.632 56.100 0.163 0.000 1.040 116 R CB 0.597 30.991 30.300 0.158 0.000 1.152 116 R HN 0.222 nan 8.270 nan 0.000 0.503 117 P HA -0.115 nan 4.420 nan 0.000 0.220 117 P C 0.588 177.903 177.300 0.025 0.000 1.148 117 P CA 1.313 64.439 63.100 0.044 0.000 0.803 117 P CB 0.148 31.871 31.700 0.038 0.000 0.782 118 K N -0.672 119.747 120.400 0.031 0.000 2.442 118 K HA -0.117 4.203 4.320 -0.000 0.000 0.198 118 K C 0.883 177.485 176.600 0.002 0.000 1.044 118 K CA 1.352 57.649 56.287 0.017 0.000 0.948 118 K CB -0.619 31.895 32.500 0.023 0.000 0.762 118 K HN 0.078 nan 8.250 nan 0.000 0.472 119 D N 0.872 121.274 120.400 0.003 0.000 2.360 119 D HA 0.132 4.772 4.640 -0.000 0.000 0.210 119 D C 0.419 176.657 176.300 -0.104 0.000 1.047 119 D CA -0.010 53.967 54.000 -0.038 0.000 0.854 119 D CB 0.139 40.937 40.800 -0.003 0.000 0.936 119 D HN 0.211 nan 8.370 nan 0.000 0.514 120 I N 0.566 121.090 120.570 -0.077 0.000 2.826 120 I HA -0.033 4.137 4.170 -0.000 0.000 0.295 120 I C 1.743 177.799 176.117 -0.102 0.000 1.213 120 I CA 1.078 62.320 61.300 -0.096 0.000 1.436 120 I CB 0.561 38.530 38.000 -0.053 0.000 1.348 120 I HN 0.205 nan 8.210 nan 0.000 0.570 121 G N 4.947 113.670 108.800 -0.129 0.000 2.234 121 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.235 121 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.235 121 G C 0.504 175.313 174.900 -0.152 0.000 0.997 121 G CA -0.407 44.624 45.100 -0.114 0.000 0.623 121 G HN 0.556 nan 8.290 nan 0.000 0.514 122 R N 1.172 121.553 120.500 -0.198 0.000 2.560 122 R HA 0.469 4.809 4.340 -0.000 0.000 0.270 122 R C -2.574 173.492 176.300 -0.390 0.000 1.074 122 R CA -1.592 54.358 56.100 -0.251 0.000 1.140 122 R CB 0.507 30.682 30.300 -0.208 0.000 1.073 122 R HN 0.088 nan 8.270 nan 0.000 0.527 123 P HA 0.088 nan 4.420 nan 0.000 0.276 123 P C -0.386 176.611 177.300 -0.506 0.000 1.253 123 P CA -0.053 62.584 63.100 -0.772 0.000 0.766 123 P CB 0.777 31.637 31.700 -1.400 0.000 0.845 124 K N 3.127 123.260 120.400 -0.445 0.000 2.032 124 K HA -0.281 4.039 4.320 -0.000 0.000 0.218 124 K C 1.973 178.564 176.600 -0.014 0.000 1.054 124 K CA 2.306 58.409 56.287 -0.306 0.000 0.941 124 K CB -0.801 31.634 32.500 -0.109 0.000 0.720 124 K HN 0.453 nan 8.250 nan 0.000 0.449 125 A N 1.488 124.295 122.820 -0.021 0.000 1.892 125 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 125 A C 2.156 179.748 177.584 0.013 0.000 1.188 125 A CA 2.023 54.085 52.037 0.041 0.000 0.631 125 A CB -0.608 18.447 19.000 0.091 0.000 0.822 125 A HN 0.503 nan 8.150 nan 0.000 0.447 126 E N -0.244 119.919 120.200 -0.062 0.000 2.051 126 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 126 E C 1.897 178.497 176.600 0.000 0.000 0.991 126 E CA 1.706 58.074 56.400 -0.053 0.000 0.799 126 E CB -0.128 29.499 29.700 -0.123 0.000 0.748 126 E HN 0.359 nan 8.360 nan 0.000 0.449 127 V N 1.167 121.088 119.914 0.012 0.000 2.453 127 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 127 V C 2.482 178.716 176.094 0.233 0.000 1.048 127 V CA 1.563 63.938 62.300 0.125 0.000 1.049 127 V CB -0.633 31.256 31.823 0.110 0.000 0.672 127 V HN 0.400 nan 8.190 nan 0.000 0.457 128 A N 0.189 123.155 122.820 0.244 0.000 1.898 128 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 128 A C 2.399 180.036 177.584 0.088 0.000 1.181 128 A CA 1.962 54.068 52.037 0.115 0.000 0.620 128 A CB -0.673 18.362 19.000 0.057 0.000 0.819 128 A HN 0.544 nan 8.150 nan 0.000 0.442 129 A N -0.491 122.374 122.820 0.075 0.000 1.929 129 A HA -0.123 4.196 4.320 -0.000 0.000 0.216 129 A C 2.037 179.671 177.584 0.083 0.000 1.176 129 A CA 1.610 53.681 52.037 0.056 0.000 0.628 129 A CB -0.463 18.543 19.000 0.010 0.000 0.816 129 A HN 0.658 nan 8.150 nan 0.000 0.444 130 E N -1.056 119.200 120.200 0.094 0.000 2.051 130 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 130 E C 1.823 178.493 176.600 0.117 0.000 0.991 130 E CA 1.289 57.739 56.400 0.083 0.000 0.799 130 E CB -0.270 29.474 29.700 0.074 0.000 0.748 130 E HN 0.603 nan 8.360 nan 0.000 0.449 131 F N 0.663 120.628 119.950 0.026 0.000 2.046 131 F HA -0.250 4.276 4.527 -0.000 0.000 0.297 131 F C 2.260 178.081 175.800 0.034 0.000 1.123 131 F CA 1.249 59.266 58.000 0.028 0.000 1.199 131 F CB -0.184 38.822 39.000 0.010 0.000 0.972 131 F HN 0.136 nan 8.300 nan 0.000 0.474 132 L N 1.090 122.533 121.223 0.367 0.000 2.017 132 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 132 L C 1.970 178.943 176.870 0.173 0.000 1.073 132 L CA 1.766 56.770 54.840 0.273 0.000 0.745 132 L CB -1.287 40.873 42.059 0.169 0.000 0.894 132 L HN 0.100 nan 8.230 nan 0.000 0.432 133 N N -0.296 118.476 118.700 0.120 0.000 2.348 133 N HA -0.196 4.543 4.740 -0.000 0.000 0.185 133 N C 1.436 176.984 175.510 0.064 0.000 1.019 133 N CA 1.439 54.539 53.050 0.083 0.000 0.880 133 N CB -0.211 38.309 38.487 0.055 0.000 0.965 133 N HN 0.522 nan 8.380 nan 0.000 0.437 134 D N 0.005 120.426 120.400 0.036 0.000 2.216 134 D HA -0.003 4.637 4.640 -0.000 0.000 0.208 134 D C 2.008 178.300 176.300 -0.014 0.000 0.960 134 D CA 0.441 54.430 54.000 -0.018 0.000 0.861 134 D CB 0.250 40.992 40.800 -0.097 0.000 0.985 134 D HN -0.012 nan 8.370 nan 0.000 0.493 135 R N -0.164 120.344 120.500 0.013 0.000 2.075 135 R HA 0.131 4.471 4.340 -0.000 0.000 0.226 135 R C -0.163 176.212 176.300 0.125 0.000 1.114 135 R CA 0.888 57.025 56.100 0.061 0.000 0.972 135 R CB -0.081 30.329 30.300 0.183 0.000 0.869 135 R HN 0.008 nan 8.270 nan 0.000 0.437 136 V N 3.634 123.643 119.914 0.158 0.000 2.294 136 V HA 0.358 4.478 4.120 -0.000 0.000 0.272 136 V C -2.297 173.900 176.094 0.172 0.000 1.027 136 V CA -2.226 60.183 62.300 0.182 0.000 0.823 136 V CB 1.161 33.104 31.823 0.201 0.000 1.030 136 V HN 0.193 nan 8.190 nan 0.000 0.457 137 P HA 0.032 nan 4.420 nan 0.000 0.264 137 P C 0.763 178.160 177.300 0.162 0.000 1.179 137 P CA 0.591 63.803 63.100 0.187 0.000 0.763 137 P CB 0.195 32.079 31.700 0.307 0.000 0.806 138 N N -2.069 116.709 118.700 0.131 0.000 2.900 138 N HA -0.220 4.520 4.740 -0.000 0.000 0.240 138 N C 0.066 175.645 175.510 0.115 0.000 0.953 138 N CA 0.657 53.776 53.050 0.116 0.000 0.950 138 N CB -1.761 36.801 38.487 0.126 0.000 1.102 138 N HN 0.436 nan 8.380 nan 0.000 0.593 139 C N 2.110 121.487 119.300 0.128 0.000 2.648 139 C HA 0.165 4.625 4.460 -0.000 0.000 0.419 139 C C 1.209 176.249 174.990 0.083 0.000 1.352 139 C CA -0.039 59.053 59.018 0.124 0.000 1.816 139 C CB -0.300 27.527 27.740 0.145 0.000 2.598 139 C HN 0.262 nan 8.230 nan 0.000 0.598 140 N N 3.940 122.681 118.700 0.068 0.000 2.908 140 N HA 0.219 4.959 4.740 -0.000 0.000 0.316 140 N C -0.603 174.903 175.510 -0.006 0.000 1.619 140 N CA -0.157 52.910 53.050 0.028 0.000 1.045 140 N CB 0.370 38.871 38.487 0.024 0.000 1.357 140 N HN 0.514 nan 8.380 nan 0.000 0.501 141 V N 1.382 121.300 119.914 0.006 0.000 2.446 141 V HA 0.101 4.221 4.120 -0.000 0.000 0.276 141 V C 0.285 176.316 176.094 -0.106 0.000 1.030 141 V CA -0.266 62.020 62.300 -0.025 0.000 1.033 141 V CB 0.874 32.709 31.823 0.020 0.000 0.993 141 V HN 0.050 nan 8.190 nan 0.000 0.477 142 V N 9.041 128.808 119.914 -0.245 0.000 2.350 142 V HA 0.372 4.492 4.120 -0.000 0.000 0.276 142 V C -2.074 173.805 176.094 -0.358 0.000 1.028 142 V CA -1.645 60.427 62.300 -0.381 0.000 0.860 142 V CB 1.710 33.083 31.823 -0.751 0.000 0.990 142 V HN 0.750 nan 8.190 nan 0.000 0.453 143 P HA 0.384 nan 4.420 nan 0.000 0.294 143 P C -1.048 176.095 177.300 -0.261 0.000 1.294 143 P CA -0.394 62.605 63.100 -0.168 0.000 0.827 143 P CB 0.910 32.577 31.700 -0.054 0.000 0.992 144 H N 2.981 122.157 119.070 0.176 0.000 2.736 144 H HA 0.181 4.737 4.556 -0.000 0.000 0.271 144 H C -0.671 174.819 175.328 0.270 0.000 1.184 144 H CA -0.530 55.659 56.048 0.235 0.000 1.378 144 H CB 0.299 30.227 29.762 0.276 0.000 1.428 144 H HN 0.320 nan 8.280 nan 0.000 0.500 145 F N 4.197 124.230 119.950 0.138 0.000 2.613 145 F HA 0.182 4.708 4.527 -0.000 0.000 0.341 145 F C -0.613 175.216 175.800 0.049 0.000 1.288 145 F CA -0.479 57.561 58.000 0.067 0.000 1.103 145 F CB -0.689 38.322 39.000 0.018 0.000 1.423 145 F HN 0.440 nan 8.300 nan 0.000 0.651 146 N N 3.053 121.815 118.700 0.103 0.000 2.710 146 N HA 0.278 5.018 4.740 -0.000 0.000 0.257 146 N C -1.544 173.943 175.510 -0.037 0.000 1.327 146 N CA -1.098 51.906 53.050 -0.077 0.000 0.861 146 N CB 1.694 40.195 38.487 0.023 0.000 1.532 146 N HN 0.231 nan 8.380 nan 0.000 0.499 147 K N 1.118 121.426 120.400 -0.153 0.000 2.118 147 K HA 0.369 4.689 4.320 -0.000 0.000 0.264 147 K C 1.100 177.643 176.600 -0.095 0.000 1.000 147 K CA -0.433 55.772 56.287 -0.137 0.000 0.929 147 K CB 1.166 33.538 32.500 -0.213 0.000 1.021 147 K HN 0.549 nan 8.250 nan 0.000 0.463 148 I N -0.841 119.673 120.570 -0.095 0.000 2.493 148 I HA -0.260 3.910 4.170 -0.000 0.000 0.254 148 I C 1.306 177.268 176.117 -0.259 0.000 1.160 148 I CA 1.032 62.340 61.300 0.014 0.000 1.445 148 I CB -0.278 37.720 38.000 -0.004 0.000 1.086 148 I HN 0.497 nan 8.210 nan 0.000 0.433 149 Q N 1.668 121.083 119.800 -0.642 0.000 2.226 149 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 149 Q C 1.630 177.518 176.000 -0.186 0.000 0.975 149 Q CA 1.795 57.230 55.803 -0.613 0.000 0.866 149 Q CB -0.417 28.011 28.738 -0.517 0.000 0.915 149 Q HN 0.551 nan 8.270 nan 0.000 0.440 150 D N -0.294 119.941 120.400 -0.274 0.000 2.182 150 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 150 D C -0.354 175.669 176.300 -0.462 0.000 0.986 150 D CA 0.941 54.683 54.000 -0.430 0.000 0.847 150 D CB -0.022 40.357 40.800 -0.703 0.000 0.942 150 D HN 0.183 nan 8.370 nan 0.000 0.467 151 F N 1.143 121.059 119.950 -0.057 0.000 2.410 151 F HA 0.219 4.746 4.527 -0.000 0.000 0.349 151 F C 0.994 176.972 175.800 0.295 0.000 1.117 151 F CA -1.415 56.552 58.000 -0.055 0.000 1.104 151 F CB 0.788 39.550 39.000 -0.397 0.000 1.122 151 F HN -0.207 nan 8.300 nan 0.000 0.483 152 N N 0.900 119.836 118.700 0.393 0.000 2.418 152 N HA 0.071 4.811 4.740 -0.000 0.000 0.283 152 N C 0.764 176.548 175.510 0.457 0.000 1.267 152 N CA -0.352 52.935 53.050 0.394 0.000 0.975 152 N CB 0.228 38.852 38.487 0.227 0.000 1.167 152 N HN 0.596 nan 8.380 nan 0.000 0.581 153 D N -1.176 119.422 120.400 0.331 0.000 2.149 153 D HA -0.205 4.435 4.640 -0.000 0.000 0.198 153 D C 1.085 177.535 176.300 0.250 0.000 0.990 153 D CA 1.743 55.920 54.000 0.295 0.000 0.839 153 D CB -1.204 39.685 40.800 0.148 0.000 0.948 153 D HN 0.576 nan 8.370 nan 0.000 0.460 154 T N 0.241 114.911 114.554 0.194 0.000 2.721 154 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 154 T C 1.432 176.212 174.700 0.133 0.000 1.038 154 T CA 1.516 63.698 62.100 0.136 0.000 1.145 154 T CB -0.592 68.350 68.868 0.124 0.000 0.858 154 T HN 0.252 nan 8.240 nan 0.000 0.459 155 F N 0.727 120.689 119.950 0.020 0.000 2.074 155 F HA -0.033 4.494 4.527 -0.000 0.000 0.293 155 F C 1.965 177.713 175.800 -0.087 0.000 1.116 155 F CA 0.945 58.872 58.000 -0.121 0.000 1.212 155 F CB -0.640 38.217 39.000 -0.239 0.000 0.998 155 F HN 0.178 nan 8.300 nan 0.000 0.471 156 Y N 0.213 120.559 120.300 0.077 0.000 2.333 156 Y HA -0.143 4.406 4.550 -0.000 0.000 0.290 156 Y C 2.679 178.598 175.900 0.033 0.000 1.144 156 Y CA 1.385 59.504 58.100 0.032 0.000 1.228 156 Y CB -0.632 37.894 38.460 0.110 0.000 0.985 156 Y HN 0.051 nan 8.280 nan 0.000 0.542 157 R N 1.346 121.915 120.500 0.115 0.000 2.117 157 R HA -0.270 4.070 4.340 -0.000 0.000 0.243 157 R C 2.234 178.499 176.300 -0.058 0.000 1.143 157 R CA 2.064 58.186 56.100 0.036 0.000 0.968 157 R CB -0.279 30.032 30.300 0.020 0.000 0.863 157 R HN 0.614 nan 8.270 nan 0.000 0.444 158 Q N -0.565 119.089 119.800 -0.244 0.000 2.226 158 Q HA -0.098 4.242 4.340 -0.000 0.000 0.204 158 Q C -0.169 175.533 176.000 -0.497 0.000 0.975 158 Q CA 0.725 56.266 55.803 -0.438 0.000 0.866 158 Q CB -0.189 28.131 28.738 -0.697 0.000 0.915 158 Q HN 0.168 nan 8.270 nan 0.000 0.440 159 F N 1.047 120.830 119.950 -0.277 0.000 2.389 159 F HA 0.150 4.677 4.527 -0.000 0.000 0.337 159 F C 1.392 177.150 175.800 -0.070 0.000 1.112 159 F CA -0.570 57.266 58.000 -0.274 0.000 1.192 159 F CB 0.707 39.539 39.000 -0.279 0.000 1.185 159 F HN -0.007 nan 8.300 nan 0.000 0.552 160 H N 1.990 121.099 119.070 0.065 0.000 2.384 160 H HA 0.292 4.848 4.556 -0.000 0.000 0.300 160 H C 0.220 175.560 175.328 0.021 0.000 1.057 160 H CA 1.050 57.110 56.048 0.019 0.000 1.370 160 H CB 0.050 29.814 29.762 0.003 0.000 1.417 160 H HN 0.310 nan 8.280 nan 0.000 0.527 161 I N 0.523 121.178 120.570 0.141 0.000 2.619 161 I HA 0.262 4.431 4.170 -0.000 0.000 0.292 161 I C -0.804 175.290 176.117 -0.037 0.000 1.100 161 I CA -0.461 60.857 61.300 0.030 0.000 1.043 161 I CB 3.140 41.129 38.000 -0.017 0.000 1.239 161 I HN -0.170 nan 8.210 nan 0.000 0.420 162 I N 6.160 126.692 120.570 -0.064 0.000 2.362 162 I HA 0.461 4.631 4.170 -0.000 0.000 0.289 162 I C -0.758 175.298 176.117 -0.101 0.000 0.994 162 I CA -0.794 60.432 61.300 -0.123 0.000 1.158 162 I CB 1.932 39.866 38.000 -0.109 0.000 1.315 162 I HN 0.245 nan 8.210 nan 0.000 0.451 163 V N 7.493 127.336 119.914 -0.118 0.000 2.604 163 V HA 0.713 4.833 4.120 -0.000 0.000 0.305 163 V C -0.691 175.358 176.094 -0.075 0.000 1.043 163 V CA -0.278 61.966 62.300 -0.094 0.000 0.888 163 V CB 1.594 33.350 31.823 -0.112 0.000 0.995 163 V HN 0.989 nan 8.190 nan 0.000 0.429 164 C N 3.229 122.498 119.300 -0.051 0.000 2.888 164 C HA 0.939 5.398 4.460 -0.000 0.000 0.308 164 C C 0.128 175.106 174.990 -0.019 0.000 1.213 164 C CA -0.240 58.761 59.018 -0.028 0.000 1.461 164 C CB 0.880 28.613 27.740 -0.011 0.000 1.934 164 C HN 1.326 nan 8.230 nan 0.000 0.474 165 G N 2.467 111.260 108.800 -0.011 0.000 2.938 165 G HA2 0.599 4.559 3.960 -0.000 0.000 0.308 165 G HA3 0.599 4.559 3.960 -0.000 0.000 0.308 165 G C -1.044 173.860 174.900 0.006 0.000 1.422 165 G CA -0.320 44.777 45.100 -0.006 0.000 1.071 165 G HN 0.816 nan 8.290 nan 0.000 0.530 166 L N 1.235 122.467 121.223 0.015 0.000 2.334 166 L HA 0.413 4.753 4.340 -0.000 0.000 0.272 166 L C 0.996 177.873 176.870 0.011 0.000 1.020 166 L CA -1.020 53.829 54.840 0.014 0.000 0.812 166 L CB 1.656 43.726 42.059 0.018 0.000 1.264 166 L HN 0.273 nan 8.230 nan 0.000 0.439 167 D N 0.270 120.670 120.400 0.000 0.000 2.127 167 D HA -0.124 4.516 4.640 -0.000 0.000 0.190 167 D C 0.669 176.957 176.300 -0.019 0.000 1.000 167 D CA 1.682 55.676 54.000 -0.009 0.000 0.839 167 D CB 0.195 40.984 40.800 -0.020 0.000 0.955 167 D HN 0.598 nan 8.370 nan 0.000 0.446 168 S N -1.978 113.700 115.700 -0.036 0.000 2.661 168 S HA 0.461 4.931 4.470 -0.000 0.000 0.285 168 S C 1.081 175.608 174.600 -0.122 0.000 1.138 168 S CA -0.851 57.303 58.200 -0.076 0.000 0.855 168 S CB 1.244 64.404 63.200 -0.067 0.000 1.136 168 S HN 0.009 nan 8.310 nan 0.000 0.484 169 I N 0.889 121.323 120.570 -0.226 0.000 2.193 169 I HA -0.048 4.122 4.170 -0.000 0.000 0.240 169 I C 2.481 178.515 176.117 -0.138 0.000 1.084 169 I CA 1.112 62.211 61.300 -0.336 0.000 1.365 169 I CB -0.356 37.330 38.000 -0.525 0.000 1.064 169 I HN 0.758 nan 8.210 nan 0.000 0.410 170 I N 1.161 121.678 120.570 -0.087 0.000 2.145 170 I HA -0.394 3.775 4.170 -0.000 0.000 0.244 170 I C 2.585 178.733 176.117 0.051 0.000 1.075 170 I CA 2.034 63.329 61.300 -0.010 0.000 1.332 170 I CB -0.079 37.915 38.000 -0.009 0.000 1.033 170 I HN 0.211 nan 8.210 nan 0.000 0.410 171 A N 0.720 123.554 122.820 0.023 0.000 1.930 171 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 171 A C 2.353 180.003 177.584 0.110 0.000 1.175 171 A CA 1.497 53.568 52.037 0.057 0.000 0.627 171 A CB -0.613 18.384 19.000 -0.005 0.000 0.815 171 A HN 0.499 nan 8.150 nan 0.000 0.443 172 R N -0.530 120.008 120.500 0.064 0.000 2.096 172 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 172 R C 2.384 178.740 176.300 0.094 0.000 1.127 172 R CA 1.455 57.602 56.100 0.078 0.000 0.968 172 R CB -0.331 30.017 30.300 0.080 0.000 0.861 172 R HN 0.493 nan 8.270 nan 0.000 0.440 173 R N -0.409 120.144 120.500 0.087 0.000 2.091 173 R HA -0.192 4.148 4.340 -0.000 0.000 0.238 173 R C 1.967 178.327 176.300 0.099 0.000 1.136 173 R CA 1.728 57.877 56.100 0.081 0.000 0.959 173 R CB -0.345 29.995 30.300 0.066 0.000 0.856 173 R HN 0.342 nan 8.270 nan 0.000 0.437 174 W N 0.967 122.250 121.300 -0.028 0.000 2.354 174 W HA -0.180 4.480 4.660 -0.000 0.000 0.315 174 W C 1.967 178.443 176.519 -0.071 0.000 1.206 174 W CA 1.086 58.409 57.345 -0.036 0.000 1.290 174 W CB -0.254 29.190 29.460 -0.026 0.000 1.152 174 W HN -0.012 nan 8.180 nan 0.000 0.489 175 I N 1.379 122.139 120.570 0.317 0.000 2.394 175 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 175 I C 2.088 178.156 176.117 -0.081 0.000 1.136 175 I CA 2.063 63.422 61.300 0.099 0.000 1.425 175 I CB -1.013 37.039 38.000 0.085 0.000 1.079 175 I HN 0.102 nan 8.210 nan 0.000 0.425 176 N N 0.475 119.154 118.700 -0.034 0.000 2.061 176 N HA -0.167 4.573 4.740 -0.000 0.000 0.193 176 N C 2.039 177.483 175.510 -0.109 0.000 1.030 176 N CA 2.010 55.029 53.050 -0.050 0.000 0.856 176 N CB -0.733 37.751 38.487 -0.004 0.000 1.023 176 N HN 0.411 nan 8.380 nan 0.000 0.424 177 G N 0.045 108.743 108.800 -0.169 0.000 2.418 177 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 177 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 177 G C 1.477 176.199 174.900 -0.296 0.000 1.158 177 G CA 1.121 46.081 45.100 -0.232 0.000 0.771 177 G HN 0.377 nan 8.290 nan 0.000 0.545 178 M N 0.427 119.767 119.600 -0.434 0.000 2.108 178 M HA 0.106 4.586 4.480 -0.000 0.000 0.261 178 M C 2.255 178.421 176.300 -0.224 0.000 1.066 178 M CA 1.328 56.376 55.300 -0.419 0.000 1.107 178 M CB -0.460 31.791 32.600 -0.581 0.000 1.356 178 M HN 0.163 nan 8.290 nan 0.000 0.406 179 L N -1.030 120.081 121.223 -0.186 0.000 2.156 179 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 179 L C 2.295 179.118 176.870 -0.078 0.000 1.095 179 L CA 0.824 55.600 54.840 -0.107 0.000 0.770 179 L CB -0.564 41.442 42.059 -0.089 0.000 0.914 179 L HN 0.317 nan 8.230 nan 0.000 0.439 180 I N -0.418 120.103 120.570 -0.081 0.000 2.439 180 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 180 I C 2.740 178.832 176.117 -0.042 0.000 1.139 180 I CA 1.345 62.617 61.300 -0.047 0.000 1.438 180 I CB -0.177 37.804 38.000 -0.033 0.000 1.085 180 I HN 0.287 nan 8.210 nan 0.000 0.427 181 S N 0.999 116.657 115.700 -0.071 0.000 2.447 181 S HA -0.064 4.406 4.470 -0.000 0.000 0.233 181 S C 1.943 176.522 174.600 -0.036 0.000 1.006 181 S CA 0.705 58.873 58.200 -0.054 0.000 0.957 181 S CB -0.491 62.655 63.200 -0.090 0.000 0.773 181 S HN 0.429 nan 8.310 nan 0.000 0.507 182 L N 0.648 121.845 121.223 -0.044 0.000 2.156 182 L HA 0.176 4.516 4.340 -0.000 0.000 0.208 182 L C 0.866 177.697 176.870 -0.065 0.000 1.095 182 L CA 0.246 55.066 54.840 -0.032 0.000 0.770 182 L CB -0.646 41.402 42.059 -0.019 0.000 0.914 182 L HN 0.293 nan 8.230 nan 0.000 0.439 183 L N 1.159 122.320 121.223 -0.104 0.000 2.593 183 L HA -0.143 4.197 4.340 -0.000 0.000 0.287 183 L C -0.191 176.532 176.870 -0.245 0.000 1.243 183 L CA 0.693 55.400 54.840 -0.221 0.000 0.890 183 L CB -0.243 41.633 42.059 -0.304 0.000 1.134 183 L HN 0.268 nan 8.230 nan 0.000 0.502 184 N N 2.440 120.958 118.700 -0.303 0.000 2.483 184 N HA 0.344 5.084 4.740 -0.000 0.000 0.267 184 N C -1.538 173.811 175.510 -0.268 0.000 0.998 184 N CA -0.553 52.377 53.050 -0.200 0.000 0.918 184 N CB 1.046 39.477 38.487 -0.094 0.000 1.215 184 N HN 0.329 nan 8.380 nan 0.000 0.500 185 Y N 0.772 121.067 120.300 -0.009 0.000 2.404 185 Y HA 0.313 4.863 4.550 -0.000 0.000 0.344 185 Y C 0.955 176.851 175.900 -0.007 0.000 0.970 185 Y CA -0.737 57.358 58.100 -0.008 0.000 1.180 185 Y CB 0.772 39.226 38.460 -0.011 0.000 1.138 185 Y HN 0.501 nan 8.280 nan 0.000 0.510 186 E N 2.873 123.142 120.200 0.115 0.000 1.814 186 E HA 0.174 4.524 4.350 -0.000 0.000 0.264 186 E C -0.219 176.426 176.600 0.076 0.000 1.179 186 E CA -0.356 56.087 56.400 0.072 0.000 0.972 186 E CB -0.544 29.179 29.700 0.038 0.000 1.077 186 E HN 0.782 nan 8.360 nan 0.000 0.417 187 D N 1.019 121.464 120.400 0.074 0.000 3.205 187 D HA -0.126 4.514 4.640 -0.000 0.000 0.227 187 D C 1.342 177.664 176.300 0.037 0.000 1.171 187 D CA 2.649 56.674 54.000 0.042 0.000 0.929 187 D CB -1.160 39.656 40.800 0.026 0.000 0.900 187 D HN 1.284 nan 8.370 nan 0.000 0.404 188 G N -0.366 108.452 108.800 0.029 0.000 2.729 188 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.216 188 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.216 188 G C 0.409 175.351 174.900 0.070 0.000 1.252 188 G CA 0.097 45.196 45.100 -0.001 0.000 0.751 188 G HN 1.252 nan 8.290 nan 0.000 0.527 189 V N 2.552 122.533 119.914 0.111 0.000 2.546 189 V HA 0.739 4.859 4.120 -0.000 0.000 0.284 189 V C 0.323 176.539 176.094 0.204 0.000 1.050 189 V CA -0.278 62.102 62.300 0.134 0.000 0.981 189 V CB 1.383 33.247 31.823 0.069 0.000 0.990 189 V HN 1.028 nan 8.190 nan 0.000 0.474 190 L N 5.869 127.207 121.223 0.192 0.000 2.276 190 L HA 0.523 4.863 4.340 -0.000 0.000 0.286 190 L C -0.190 176.647 176.870 -0.055 0.000 1.061 190 L CA 0.056 54.917 54.840 0.036 0.000 0.807 190 L CB 1.159 43.252 42.059 0.056 0.000 1.177 190 L HN 0.783 nan 8.230 nan 0.000 0.429 191 D N 6.804 127.131 120.400 -0.122 0.000 2.344 191 D HA 0.235 4.875 4.640 -0.000 0.000 0.253 191 D C -1.821 174.422 176.300 -0.094 0.000 1.255 191 D CA -1.943 52.005 54.000 -0.087 0.000 0.894 191 D CB 1.458 42.208 40.800 -0.082 0.000 1.067 191 D HN 0.407 nan 8.370 nan 0.000 0.492 192 P HA -0.142 nan 4.420 nan 0.000 0.218 192 P C 1.222 178.489 177.300 -0.054 0.000 1.148 192 P CA 0.915 63.984 63.100 -0.051 0.000 0.822 192 P CB 0.053 31.736 31.700 -0.028 0.000 0.784 193 S N -0.749 114.920 115.700 -0.053 0.000 2.507 193 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 193 S C 1.787 176.354 174.600 -0.054 0.000 0.988 193 S CA 1.117 59.287 58.200 -0.051 0.000 0.944 193 S CB -1.297 61.877 63.200 -0.044 0.000 0.762 193 S HN 0.245 nan 8.310 nan 0.000 0.526 194 S N 0.129 115.786 115.700 -0.072 0.000 2.556 194 S HA 0.368 4.838 4.470 -0.000 0.000 0.216 194 S C 0.292 174.845 174.600 -0.078 0.000 0.970 194 S CA -0.736 57.418 58.200 -0.077 0.000 0.912 194 S CB -0.664 62.474 63.200 -0.104 0.000 0.790 194 S HN 0.513 nan 8.310 nan 0.000 0.504 195 I N 2.287 122.814 120.570 -0.071 0.000 2.441 195 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 195 I C -0.718 175.381 176.117 -0.031 0.000 1.049 195 I CA -0.481 60.785 61.300 -0.057 0.000 1.381 195 I CB 1.568 39.537 38.000 -0.052 0.000 1.409 195 I HN 0.011 nan 8.210 nan 0.000 0.523 196 V N 8.709 128.611 119.914 -0.021 0.000 2.266 196 V HA 0.253 4.373 4.120 -0.000 0.000 0.271 196 V C -2.186 173.903 176.094 -0.008 0.000 1.032 196 V CA -1.829 60.472 62.300 0.002 0.000 0.806 196 V CB 0.803 32.639 31.823 0.023 0.000 1.052 196 V HN 0.588 nan 8.190 nan 0.000 0.449 197 P HA 0.030 nan 4.420 nan 0.000 0.261 197 P C -0.671 176.613 177.300 -0.026 0.000 1.173 197 P CA 0.174 63.263 63.100 -0.019 0.000 0.760 197 P CB 0.497 32.186 31.700 -0.019 0.000 0.783 198 L N 5.163 126.367 121.223 -0.032 0.000 2.349 198 L HA 0.536 4.876 4.340 -0.000 0.000 0.278 198 L C -1.153 175.691 176.870 -0.042 0.000 0.996 198 L CA -0.435 54.381 54.840 -0.039 0.000 0.825 198 L CB 1.175 43.213 42.059 -0.035 0.000 1.243 198 L HN 0.117 nan 8.230 nan 0.000 0.412 199 I N 4.323 124.861 120.570 -0.053 0.000 2.339 199 I HA 0.401 4.571 4.170 -0.000 0.000 0.290 199 I C -0.674 175.409 176.117 -0.057 0.000 0.994 199 I CA -0.118 61.145 61.300 -0.062 0.000 1.191 199 I CB 1.596 39.553 38.000 -0.072 0.000 1.343 199 I HN 0.591 nan 8.210 nan 0.000 0.458 200 D N 4.548 124.913 120.400 -0.057 0.000 2.308 200 D HA 0.679 5.319 4.640 -0.000 0.000 0.242 200 D C -0.194 176.066 176.300 -0.067 0.000 1.059 200 D CA -0.320 53.656 54.000 -0.039 0.000 0.830 200 D CB 1.395 42.193 40.800 -0.002 0.000 1.161 200 D HN 0.640 nan 8.370 nan 0.000 0.494 201 G N 1.370 110.141 108.800 -0.049 0.000 2.432 201 G HA2 0.692 4.652 3.960 -0.000 0.000 0.331 201 G HA3 0.692 4.652 3.960 -0.000 0.000 0.331 201 G C -0.534 174.359 174.900 -0.013 0.000 1.170 201 G CA -0.786 44.279 45.100 -0.057 0.000 0.943 201 G HN 0.585 nan 8.290 nan 0.000 0.483 202 G N -0.482 108.314 108.800 -0.007 0.000 2.733 202 G HA2 0.733 4.693 3.960 -0.000 0.000 0.297 202 G HA3 0.733 4.693 3.960 -0.000 0.000 0.297 202 G C -0.692 174.234 174.900 0.042 0.000 1.422 202 G CA -0.115 45.011 45.100 0.043 0.000 0.942 202 G HN 1.104 nan 8.290 nan 0.000 0.510 203 T N -1.397 113.187 114.554 0.050 0.000 2.909 203 T HA 0.812 5.162 4.350 -0.000 0.000 0.299 203 T C -0.989 173.739 174.700 0.047 0.000 1.073 203 T CA -0.861 61.270 62.100 0.052 0.000 0.999 203 T CB 2.841 71.727 68.868 0.029 0.000 1.098 203 T HN 0.470 nan 8.240 nan 0.000 0.477 204 E N 0.617 120.844 120.200 0.044 0.000 2.313 204 E HA 0.488 4.838 4.350 -0.000 0.000 0.280 204 E C 0.656 177.237 176.600 -0.033 0.000 0.898 204 E CA -0.546 55.860 56.400 0.010 0.000 0.803 204 E CB 1.544 31.268 29.700 0.039 0.000 1.286 204 E HN 1.201 nan 8.360 nan 0.000 0.401 205 G N 2.739 111.454 108.800 -0.141 0.000 2.634 205 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.318 205 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.318 205 G C 0.289 174.933 174.900 -0.427 0.000 1.207 205 G CA 0.901 45.776 45.100 -0.375 0.000 0.987 205 G HN 0.542 nan 8.290 nan 0.000 0.547 206 F N 1.930 121.929 119.950 0.081 0.000 2.647 206 F HA 0.516 5.043 4.527 -0.000 0.000 0.300 206 F C 1.030 176.893 175.800 0.104 0.000 1.106 206 F CA 0.077 58.140 58.000 0.105 0.000 1.313 206 F CB 0.715 39.745 39.000 0.051 0.000 1.007 206 F HN 0.027 nan 8.300 nan 0.000 0.536 207 K N 0.275 120.802 120.400 0.212 0.000 2.207 207 K HA 0.773 5.093 4.320 -0.000 0.000 0.255 207 K C -0.042 176.690 176.600 0.219 0.000 0.941 207 K CA -0.563 55.843 56.287 0.197 0.000 0.825 207 K CB 1.999 34.580 32.500 0.134 0.000 1.119 207 K HN 0.140 nan 8.250 nan 0.000 0.430 208 G N 1.042 110.002 108.800 0.267 0.000 2.698 208 G HA2 0.415 4.375 3.960 -0.000 0.000 0.293 208 G HA3 0.415 4.375 3.960 -0.000 0.000 0.293 208 G C -1.855 173.127 174.900 0.136 0.000 1.437 208 G CA -0.955 44.256 45.100 0.184 0.000 0.852 208 G HN 0.756 nan 8.290 nan 0.000 0.499 209 N N -1.239 117.473 118.700 0.019 0.000 2.284 209 N HA 0.809 5.549 4.740 -0.000 0.000 0.289 209 N C -0.660 174.721 175.510 -0.216 0.000 1.179 209 N CA -0.702 52.270 53.050 -0.128 0.000 0.774 209 N CB 2.643 41.003 38.487 -0.213 0.000 1.548 209 N HN 0.892 nan 8.380 nan 0.000 0.473 210 A N 0.872 123.489 122.820 -0.338 0.000 2.475 210 A HA 0.884 5.204 4.320 -0.000 0.000 0.301 210 A C -1.010 176.323 177.584 -0.419 0.000 1.059 210 A CA -0.916 50.944 52.037 -0.294 0.000 0.710 210 A CB 1.308 20.189 19.000 -0.200 0.000 1.288 210 A HN 0.952 nan 8.150 nan 0.000 0.408 211 R N 0.388 120.708 120.500 -0.300 0.000 2.626 211 R HA 0.693 5.033 4.340 -0.000 0.000 0.274 211 R C -2.025 174.196 176.300 -0.132 0.000 1.031 211 R CA -0.744 55.206 56.100 -0.251 0.000 0.898 211 R CB 1.530 31.686 30.300 -0.240 0.000 1.222 211 R HN 0.330 nan 8.270 nan 0.000 0.455 212 V N 4.356 124.208 119.914 -0.103 0.000 2.370 212 V HA 0.420 4.540 4.120 -0.000 0.000 0.279 212 V C 0.026 176.094 176.094 -0.043 0.000 1.029 212 V CA -0.482 61.779 62.300 -0.066 0.000 0.870 212 V CB 1.192 32.980 31.823 -0.058 0.000 0.984 212 V HN 0.606 nan 8.190 nan 0.000 0.451 213 I N 6.058 126.609 120.570 -0.031 0.000 2.433 213 I HA 0.447 4.617 4.170 -0.000 0.000 0.292 213 I C -0.626 175.481 176.117 -0.016 0.000 1.001 213 I CA -0.518 60.773 61.300 -0.015 0.000 1.119 213 I CB 1.882 39.878 38.000 -0.006 0.000 1.289 213 I HN 0.363 nan 8.210 nan 0.000 0.438 214 L N 8.006 129.223 121.223 -0.010 0.000 2.313 214 L HA 0.424 4.764 4.340 -0.000 0.000 0.273 214 L C -2.430 174.436 176.870 -0.007 0.000 1.028 214 L CA -1.898 52.936 54.840 -0.011 0.000 0.871 214 L CB 0.807 42.862 42.059 -0.007 0.000 1.242 214 L HN 0.223 nan 8.230 nan 0.000 0.434 215 P HA 0.058 nan 4.420 nan 0.000 0.264 215 P C 0.981 178.280 177.300 -0.001 0.000 1.193 215 P CA 0.695 63.790 63.100 -0.009 0.000 0.763 215 P CB 0.912 32.596 31.700 -0.027 0.000 0.810 216 G N 2.230 111.049 108.800 0.033 0.000 2.199 216 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.254 216 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.254 216 G C -0.058 174.884 174.900 0.070 0.000 0.982 216 G CA 0.324 45.471 45.100 0.079 0.000 0.632 216 G HN 0.622 nan 8.290 nan 0.000 0.529 217 M N -1.019 118.604 119.600 0.038 0.000 2.296 217 M HA 0.556 5.035 4.480 -0.000 0.000 0.268 217 M C -0.239 176.075 176.300 0.022 0.000 1.048 217 M CA 0.008 55.328 55.300 0.034 0.000 0.966 217 M CB 1.543 34.161 32.600 0.031 0.000 1.912 217 M HN 1.965 nan 8.290 nan 0.000 0.484 218 T N -0.154 114.413 114.554 0.023 0.000 0.541 218 T HA 0.093 4.443 4.350 -0.000 0.000 0.774 218 T C -0.222 174.489 174.700 0.018 0.000 0.992 218 T CA -0.279 61.831 62.100 0.017 0.000 4.077 218 T CB -1.264 67.608 68.868 0.007 0.000 2.303 218 T HN 2.253 nan 8.240 nan 0.000 0.398 219 A N 2.902 125.733 122.820 0.019 0.000 2.546 219 A HA 0.526 4.845 4.320 -0.000 0.000 0.243 219 A C 1.581 179.182 177.584 0.030 0.000 1.063 219 A CA -0.055 51.998 52.037 0.027 0.000 0.757 219 A CB -0.852 18.166 19.000 0.030 0.000 0.991 219 A HN 2.396 nan 8.150 nan 0.000 0.503 220 C N 2.700 122.020 119.300 0.033 0.000 2.365 220 C HA 0.584 5.044 4.460 -0.000 0.000 0.374 220 C C 1.875 176.901 174.990 0.059 0.000 1.318 220 C CA -0.732 58.307 59.018 0.035 0.000 2.239 220 C CB -0.163 27.591 27.740 0.024 0.000 2.144 220 C HN 0.763 nan 8.230 nan 0.000 0.581 221 I N 1.346 121.957 120.570 0.068 0.000 2.145 221 I HA -0.163 4.006 4.170 -0.000 0.000 0.244 221 I C 2.636 178.825 176.117 0.121 0.000 1.075 221 I CA 1.907 63.275 61.300 0.112 0.000 1.332 221 I CB -1.282 36.785 38.000 0.111 0.000 1.033 221 I HN 0.753 nan 8.210 nan 0.000 0.410 222 E N 0.121 120.369 120.200 0.081 0.000 2.107 222 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 222 E C 2.407 179.047 176.600 0.066 0.000 0.982 222 E CA 1.085 57.529 56.400 0.073 0.000 0.809 222 E CB -0.316 29.411 29.700 0.044 0.000 0.756 222 E HN 0.507 nan 8.360 nan 0.000 0.459 223 C N 0.798 120.130 119.300 0.053 0.000 2.403 223 C HA -0.122 4.338 4.460 -0.000 0.000 0.279 223 C C 2.431 177.451 174.990 0.050 0.000 1.269 223 C CA 1.726 60.770 59.018 0.045 0.000 1.774 223 C CB -1.172 26.591 27.740 0.039 0.000 1.993 223 C HN 0.477 nan 8.230 nan 0.000 0.496 224 T N -2.211 112.381 114.554 0.065 0.000 3.215 224 T HA 0.224 4.574 4.350 -0.000 0.000 0.271 224 T C 1.037 175.786 174.700 0.083 0.000 1.012 224 T CA -0.149 61.982 62.100 0.051 0.000 0.899 224 T CB -0.172 68.715 68.868 0.032 0.000 1.089 224 T HN 0.221 nan 8.240 nan 0.000 0.552 225 L N 2.020 123.319 121.223 0.128 0.000 2.079 225 L HA 0.073 4.413 4.340 -0.000 0.000 0.210 225 L C 2.007 179.008 176.870 0.218 0.000 1.081 225 L CA 1.831 56.800 54.840 0.215 0.000 0.752 225 L CB -0.556 41.593 42.059 0.150 0.000 0.896 225 L HN 0.314 nan 8.230 nan 0.000 0.433 226 E N -0.885 119.384 120.200 0.115 0.000 2.526 226 E HA -0.087 4.263 4.350 -0.000 0.000 0.198 226 E C 2.021 178.660 176.600 0.065 0.000 1.091 226 E CA 0.033 56.486 56.400 0.089 0.000 0.880 226 E CB -0.096 29.634 29.700 0.050 0.000 0.873 226 E HN 0.537 nan 8.360 nan 0.000 0.527 227 L N -0.019 121.223 121.223 0.031 0.000 2.341 227 L HA -0.015 4.324 4.340 -0.000 0.000 0.214 227 L C 0.455 177.285 176.870 -0.066 0.000 1.115 227 L CA 0.182 54.989 54.840 -0.055 0.000 0.820 227 L CB -0.029 41.948 42.059 -0.136 0.000 0.944 227 L HN 0.165 nan 8.230 nan 0.000 0.452 228 Y N 1.474 121.815 120.300 0.069 0.000 2.480 228 Y HA 0.045 4.595 4.550 -0.000 0.000 0.338 228 Y C -1.254 174.671 175.900 0.042 0.000 1.220 228 Y CA -2.068 56.069 58.100 0.063 0.000 1.430 228 Y CB -0.435 38.057 38.460 0.053 0.000 1.311 228 Y HN 0.022 nan 8.280 nan 0.000 0.575 229 P HA -0.057 nan 4.420 nan 0.000 0.270 229 P C -1.990 175.361 177.300 0.085 0.000 1.221 229 P CA -0.824 62.342 63.100 0.111 0.000 0.788 229 P CB 0.073 31.833 31.700 0.099 0.000 0.904 230 P HA -0.140 nan 4.420 nan 0.000 0.217 230 P C 0.351 177.654 177.300 0.004 0.000 1.151 230 P CA 2.451 65.565 63.100 0.022 0.000 0.849 230 P CB -0.627 31.078 31.700 0.007 0.000 0.787 231 Q N -1.980 117.818 119.800 -0.004 0.000 2.667 231 Q HA -0.078 4.262 4.340 -0.000 0.000 0.210 231 Q C -0.089 175.858 176.000 -0.088 0.000 1.417 231 Q CA 0.353 56.133 55.803 -0.038 0.000 0.607 231 Q CB -2.777 25.940 28.738 -0.036 0.000 0.739 231 Q HN 0.143 nan 8.270 nan 0.000 0.315 232 V N 2.754 122.589 119.914 -0.131 0.000 2.529 232 V HA 0.501 4.621 4.120 -0.000 0.000 0.292 232 V C 0.589 176.451 176.094 -0.388 0.000 1.028 232 V CA -0.178 61.984 62.300 -0.230 0.000 1.074 232 V CB 1.191 32.866 31.823 -0.247 0.000 0.958 232 V HN 0.887 nan 8.190 nan 0.000 0.481 233 N N 3.101 121.586 118.700 -0.359 0.000 2.284 233 N HA 0.620 5.360 4.740 -0.000 0.000 0.300 233 N C -1.032 174.284 175.510 -0.324 0.000 1.047 233 N CA -0.495 52.335 53.050 -0.366 0.000 0.821 233 N CB 1.644 40.046 38.487 -0.142 0.000 1.337 233 N HN 0.489 nan 8.380 nan 0.000 0.482 234 F N 1.673 121.667 119.950 0.072 0.000 2.422 234 F HA 0.520 5.046 4.527 -0.000 0.000 0.333 234 F C -1.400 174.425 175.800 0.043 0.000 1.095 234 F CA -1.861 56.193 58.000 0.089 0.000 1.038 234 F CB 0.945 40.039 39.000 0.158 0.000 1.156 234 F HN 0.239 nan 8.300 nan 0.000 0.483 235 P HA 0.045 nan 4.420 nan 0.000 0.276 235 P C 0.558 177.919 177.300 0.102 0.000 1.230 235 P CA -0.409 62.755 63.100 0.107 0.000 0.776 235 P CB 1.034 32.771 31.700 0.061 0.000 0.888 236 M N 3.606 123.257 119.600 0.085 0.000 2.143 236 M HA -0.212 4.268 4.480 -0.000 0.000 0.258 236 M C 1.486 177.817 176.300 0.052 0.000 1.071 236 M CA 1.895 57.240 55.300 0.074 0.000 1.088 236 M CB -1.415 31.220 32.600 0.058 0.000 1.360 236 M HN 0.354 nan 8.290 nan 0.000 0.404 237 C N -0.267 119.053 119.300 0.034 0.000 2.413 237 C HA -0.149 4.311 4.460 -0.000 0.000 0.276 237 C C 2.558 177.537 174.990 -0.018 0.000 1.236 237 C CA 1.699 60.726 59.018 0.016 0.000 1.735 237 C CB -1.620 26.126 27.740 0.010 0.000 2.031 237 C HN 0.663 nan 8.230 nan 0.000 0.474 238 T N 1.369 115.891 114.554 -0.053 0.000 2.788 238 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 238 T C 1.711 176.290 174.700 -0.202 0.000 1.044 238 T CA 1.119 63.118 62.100 -0.169 0.000 1.139 238 T CB -0.198 68.515 68.868 -0.258 0.000 0.867 238 T HN 0.278 nan 8.240 nan 0.000 0.454 239 I N 1.746 122.265 120.570 -0.085 0.000 2.127 239 I HA -0.116 4.054 4.170 -0.000 0.000 0.241 239 I C 2.680 178.866 176.117 0.116 0.000 1.075 239 I CA 1.314 62.618 61.300 0.007 0.000 1.334 239 I CB -1.481 36.576 38.000 0.094 0.000 1.040 239 I HN 0.208 nan 8.210 nan 0.000 0.405 240 A N -1.446 121.452 122.820 0.130 0.000 2.238 240 A HA 0.151 4.471 4.320 -0.000 0.000 0.210 240 A C 2.202 179.847 177.584 0.102 0.000 1.179 240 A CA 0.922 53.094 52.037 0.226 0.000 0.827 240 A CB -0.013 19.098 19.000 0.186 0.000 0.856 240 A HN 0.404 nan 8.150 nan 0.000 0.488 241 S N -1.706 113.994 115.700 -0.000 0.000 3.019 241 S HA 0.307 4.777 4.470 -0.000 0.000 0.258 241 S C 0.520 175.069 174.600 -0.085 0.000 1.082 241 S CA 0.063 58.257 58.200 -0.010 0.000 0.836 241 S CB 0.115 63.321 63.200 0.011 0.000 0.834 241 S HN 0.396 nan 8.310 nan 0.000 0.457 242 M N 2.864 122.371 119.600 -0.154 0.000 3.062 242 M HA 0.317 4.797 4.480 -0.000 0.000 0.270 242 M C -2.932 173.182 176.300 -0.310 0.000 1.270 242 M CA -1.804 53.380 55.300 -0.194 0.000 0.702 242 M CB 1.470 34.001 32.600 -0.115 0.000 1.398 242 M HN -0.015 nan 8.290 nan 0.000 0.490 243 P HA 0.101 nan 4.420 nan 0.000 0.268 243 P C -0.388 176.767 177.300 -0.242 0.000 1.205 243 P CA 0.248 63.107 63.100 -0.402 0.000 0.771 243 P CB 1.026 32.414 31.700 -0.520 0.000 0.858 244 R N 1.015 121.498 120.500 -0.029 0.000 2.582 244 R HA 0.356 4.696 4.340 -0.000 0.000 0.285 244 R C 0.211 176.565 176.300 0.089 0.000 0.940 244 R CA -0.107 56.013 56.100 0.033 0.000 1.072 244 R CB 0.465 30.786 30.300 0.036 0.000 1.527 244 R HN 0.354 nan 8.270 nan 0.000 0.538 245 L N 1.631 122.959 121.223 0.174 0.000 2.370 245 L HA 0.429 4.769 4.340 -0.000 0.000 0.266 245 L C -1.806 174.992 176.870 -0.119 0.000 1.002 245 L CA -2.409 52.405 54.840 -0.043 0.000 0.818 245 L CB 2.688 44.606 42.059 -0.235 0.000 1.325 245 L HN -0.249 nan 8.230 nan 0.000 0.418 246 P HA -0.162 nan 4.420 nan 0.000 0.219 246 P C 0.724 177.956 177.300 -0.113 0.000 1.146 246 P CA 1.245 64.304 63.100 -0.069 0.000 0.808 246 P CB 0.459 32.143 31.700 -0.026 0.000 0.779 247 E N -0.723 119.349 120.200 -0.214 0.000 2.077 247 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 247 E C 2.062 178.432 176.600 -0.383 0.000 0.989 247 E CA 1.176 57.421 56.400 -0.258 0.000 0.800 247 E CB -1.013 28.526 29.700 -0.268 0.000 0.746 247 E HN 0.531 nan 8.360 nan 0.000 0.452 248 H N -1.027 117.793 119.070 -0.416 0.000 2.387 248 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 248 H C 1.971 177.163 175.328 -0.227 0.000 1.090 248 H CA 1.113 56.875 56.048 -0.477 0.000 1.332 248 H CB -0.130 29.386 29.762 -0.410 0.000 1.386 248 H HN 0.213 nan 8.280 nan 0.000 0.516 249 C N 0.408 119.675 119.300 -0.056 0.000 2.429 249 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 249 C C 2.687 177.704 174.990 0.044 0.000 1.262 249 C CA 0.721 59.721 59.018 -0.030 0.000 1.733 249 C CB -0.831 26.880 27.740 -0.048 0.000 2.010 249 C HN 0.495 nan 8.230 nan 0.000 0.483 250 I N 0.865 121.444 120.570 0.014 0.000 2.315 250 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 250 I C 2.602 178.768 176.117 0.082 0.000 1.117 250 I CA 1.487 62.816 61.300 0.049 0.000 1.404 250 I CB -0.519 37.501 38.000 0.033 0.000 1.071 250 I HN 0.244 nan 8.210 nan 0.000 0.419 251 E N 0.619 120.851 120.200 0.053 0.000 2.106 251 E HA -0.255 4.095 4.350 -0.000 0.000 0.192 251 E C 2.050 178.724 176.600 0.124 0.000 0.984 251 E CA 1.182 57.638 56.400 0.092 0.000 0.806 251 E CB -0.373 29.370 29.700 0.072 0.000 0.750 251 E HN 0.504 nan 8.360 nan 0.000 0.458 252 Y N 0.146 120.453 120.300 0.012 0.000 2.053 252 Y HA -0.291 4.259 4.550 -0.000 0.000 0.277 252 Y C 1.996 177.951 175.900 0.091 0.000 1.159 252 Y CA 2.217 60.339 58.100 0.036 0.000 1.125 252 Y CB -0.475 37.986 38.460 0.001 0.000 0.969 252 Y HN -0.043 nan 8.280 nan 0.000 0.492 253 V N 1.270 121.342 119.914 0.263 0.000 2.392 253 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 253 V C 2.551 178.792 176.094 0.244 0.000 1.059 253 V CA 2.232 64.667 62.300 0.225 0.000 1.051 253 V CB -0.889 31.031 31.823 0.163 0.000 0.658 253 V HN 0.381 nan 8.190 nan 0.000 0.455 254 R N 0.390 120.991 120.500 0.169 0.000 2.088 254 R HA -0.199 4.141 4.340 -0.000 0.000 0.232 254 R C 2.260 178.622 176.300 0.103 0.000 1.136 254 R CA 2.593 58.770 56.100 0.128 0.000 0.926 254 R CB -0.183 30.162 30.300 0.076 0.000 0.837 254 R HN 0.683 nan 8.270 nan 0.000 0.429 255 M N -1.978 117.659 119.600 0.063 0.000 2.421 255 M HA 0.189 4.669 4.480 -0.000 0.000 0.258 255 M C 1.411 177.726 176.300 0.025 0.000 1.122 255 M CA 0.640 55.967 55.300 0.045 0.000 1.078 255 M CB 0.487 33.109 32.600 0.037 0.000 1.380 255 M HN 0.033 nan 8.290 nan 0.000 0.499 256 L N -0.097 121.085 121.223 -0.068 0.000 2.356 256 L HA 0.194 4.534 4.340 -0.000 0.000 0.193 256 L C 2.693 179.484 176.870 -0.132 0.000 1.087 256 L CA 0.598 55.334 54.840 -0.174 0.000 0.817 256 L CB -0.355 41.452 42.059 -0.421 0.000 1.035 256 L HN 0.314 nan 8.230 nan 0.000 0.482 257 Q N -0.361 119.324 119.800 -0.193 0.000 2.230 257 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 257 Q C 1.974 178.164 176.000 0.317 0.000 0.963 257 Q CA 1.080 56.915 55.803 0.053 0.000 0.866 257 Q CB 0.067 28.894 28.738 0.148 0.000 0.931 257 Q HN 0.559 nan 8.270 nan 0.000 0.452 258 W N 1.735 123.152 121.300 0.194 0.000 2.378 258 W HA -0.052 4.608 4.660 -0.000 0.000 0.313 258 W C -1.267 175.265 176.519 0.021 0.000 1.197 258 W CA 1.090 58.525 57.345 0.151 0.000 1.304 258 W CB -1.262 28.291 29.460 0.155 0.000 1.148 258 W HN 0.093 nan 8.180 nan 0.000 0.494 259 P HA -0.099 nan 4.420 nan 0.000 0.217 259 P C 1.782 179.105 177.300 0.038 0.000 1.150 259 P CA 3.515 66.721 63.100 0.178 0.000 0.832 259 P CB -0.443 31.354 31.700 0.162 0.000 0.787 260 K N 0.493 120.918 120.400 0.041 0.000 2.211 260 K HA -0.134 4.186 4.320 -0.000 0.000 0.203 260 K C 1.799 178.390 176.600 -0.014 0.000 1.050 260 K CA 1.531 57.829 56.287 0.019 0.000 0.945 260 K CB -1.176 31.346 32.500 0.036 0.000 0.732 260 K HN 0.333 nan 8.250 nan 0.000 0.451 261 E N -0.628 119.538 120.200 -0.056 0.000 2.465 261 E HA 0.010 4.360 4.350 -0.000 0.000 0.209 261 E C -0.523 175.894 176.600 -0.305 0.000 0.951 261 E CA -0.281 56.050 56.400 -0.114 0.000 0.997 261 E CB 0.697 30.402 29.700 0.009 0.000 1.025 261 E HN 0.375 nan 8.360 nan 0.000 0.500 262 Q N 0.914 120.448 119.800 -0.443 0.000 2.429 262 Q HA -0.172 4.168 4.340 -0.000 0.000 0.365 262 Q C -1.818 173.760 176.000 -0.703 0.000 1.384 262 Q CA 0.627 56.082 55.803 -0.580 0.000 1.089 262 Q CB -0.869 27.695 28.738 -0.290 0.000 1.264 262 Q HN 0.409 nan 8.270 nan 0.000 0.342 263 P HA -0.103 nan 4.420 nan 0.000 0.217 263 P C 0.701 177.475 177.300 -0.876 0.000 1.154 263 P CA 1.002 63.460 63.100 -1.070 0.000 0.841 263 P CB 0.010 30.587 31.700 -1.871 0.000 0.788 264 F N 0.225 119.645 119.950 -0.884 0.000 2.713 264 F HA 0.513 5.040 4.527 -0.000 0.000 0.294 264 F C 1.312 176.951 175.800 -0.268 0.000 1.152 264 F CA 0.566 58.271 58.000 -0.491 0.000 1.385 264 F CB -0.042 38.654 39.000 -0.506 0.000 0.981 264 F HN 0.045 nan 8.300 nan 0.000 0.514 265 G N 0.376 109.052 108.800 -0.207 0.000 2.406 265 G HA2 0.026 3.986 3.960 -0.000 0.000 0.680 265 G HA3 0.026 3.986 3.960 -0.000 0.000 0.680 265 G C -1.363 173.469 174.900 -0.114 0.000 1.338 265 G CA -1.358 43.674 45.100 -0.113 0.000 0.941 265 G HN 0.008 nan 8.290 nan 0.000 0.633 266 E N 0.400 120.555 120.200 -0.076 0.000 2.265 266 E HA 0.499 4.849 4.350 -0.000 0.000 0.272 266 E C 1.283 177.879 176.600 -0.007 0.000 1.067 266 E CA 1.330 57.697 56.400 -0.055 0.000 0.900 266 E CB 0.166 29.840 29.700 -0.044 0.000 1.017 266 E HN 2.385 nan 8.360 nan 0.000 0.431 267 G N 3.564 112.372 108.800 0.013 0.000 2.273 267 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.280 267 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.280 267 G C -0.147 174.815 174.900 0.103 0.000 1.047 267 G CA 0.321 45.459 45.100 0.063 0.000 0.869 267 G HN 0.483 nan 8.290 nan 0.000 0.502 268 V N 2.144 122.146 119.914 0.146 0.000 2.383 268 V HA 0.446 4.566 4.120 -0.000 0.000 0.275 268 V C -1.053 175.252 176.094 0.351 0.000 1.036 268 V CA -1.569 60.858 62.300 0.211 0.000 0.889 268 V CB 1.513 33.464 31.823 0.213 0.000 0.985 268 V HN 0.318 nan 8.190 nan 0.000 0.459 269 P HA 0.108 nan 4.420 nan 0.000 0.271 269 P C -0.400 176.971 177.300 0.118 0.000 1.216 269 P CA -0.504 62.687 63.100 0.150 0.000 0.771 269 P CB 0.965 32.690 31.700 0.042 0.000 0.864 270 L N 2.956 124.042 121.223 -0.228 0.000 2.654 270 L HA 0.086 4.426 4.340 -0.000 0.000 0.271 270 L C -0.167 176.532 176.870 -0.285 0.000 1.169 270 L CA 0.510 55.011 54.840 -0.565 0.000 0.947 270 L CB -1.098 40.174 42.059 -1.312 0.000 1.232 270 L HN 0.248 nan 8.230 nan 0.000 0.486 271 D N 3.462 123.689 120.400 -0.289 0.000 2.412 271 D HA 0.346 4.986 4.640 -0.000 0.000 0.224 271 D C 1.236 177.358 176.300 -0.296 0.000 1.093 271 D CA 0.183 53.980 54.000 -0.339 0.000 0.850 271 D CB 1.432 41.969 40.800 -0.439 0.000 1.046 271 D HN 0.696 nan 8.370 nan 0.000 0.507 272 G N 3.128 111.811 108.800 -0.195 0.000 2.535 272 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.218 272 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.218 272 G C 0.969 175.801 174.900 -0.113 0.000 1.122 272 G CA 0.282 45.299 45.100 -0.139 0.000 0.769 272 G HN 0.495 nan 8.290 nan 0.000 0.549 273 D N 0.064 120.386 120.400 -0.129 0.000 2.277 273 D HA -0.013 4.626 4.640 -0.000 0.000 0.209 273 D C 0.447 176.692 176.300 -0.091 0.000 0.970 273 D CA 0.059 54.004 54.000 -0.093 0.000 0.874 273 D CB 0.027 40.775 40.800 -0.086 0.000 0.982 273 D HN 0.122 nan 8.370 nan 0.000 0.504 274 D N 2.164 122.459 120.400 -0.175 0.000 2.368 274 D HA -0.024 4.616 4.640 -0.000 0.000 0.268 274 D C -1.353 174.925 176.300 -0.038 0.000 1.298 274 D CA -1.447 52.447 54.000 -0.178 0.000 0.938 274 D CB 1.499 42.005 40.800 -0.489 0.000 1.101 274 D HN 0.011 nan 8.370 nan 0.000 0.509 275 P HA -0.161 nan 4.420 nan 0.000 0.221 275 P C 0.706 178.124 177.300 0.197 0.000 1.145 275 P CA 1.109 64.292 63.100 0.139 0.000 0.795 275 P CB 0.433 32.203 31.700 0.118 0.000 0.775 276 E N -0.981 119.318 120.200 0.165 0.000 2.076 276 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 276 E C 2.101 178.765 176.600 0.106 0.000 0.979 276 E CA 0.805 57.330 56.400 0.207 0.000 0.807 276 E CB -0.649 29.187 29.700 0.226 0.000 0.761 276 E HN 0.375 nan 8.360 nan 0.000 0.454 277 H N 0.905 119.800 119.070 -0.292 0.000 2.319 277 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 277 H C 2.067 177.489 175.328 0.156 0.000 1.092 277 H CA 1.196 57.130 56.048 -0.190 0.000 1.302 277 H CB -0.193 29.452 29.762 -0.195 0.000 1.373 277 H HN 0.112 nan 8.280 nan 0.000 0.497 278 I N 0.433 121.136 120.570 0.222 0.000 2.208 278 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 278 I C 2.348 178.613 176.117 0.246 0.000 1.097 278 I CA 1.246 62.624 61.300 0.130 0.000 1.363 278 I CB -1.034 36.948 38.000 -0.029 0.000 1.051 278 I HN 0.274 nan 8.210 nan 0.000 0.413 279 Q N 0.351 120.389 119.800 0.397 0.000 2.061 279 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 279 Q C 2.160 178.453 176.000 0.489 0.000 0.984 279 Q CA 2.274 58.387 55.803 0.517 0.000 0.846 279 Q CB -0.564 28.449 28.738 0.458 0.000 0.902 279 Q HN 0.535 nan 8.270 nan 0.000 0.421 280 W N -0.008 121.498 121.300 0.343 0.000 2.354 280 W HA -0.177 4.483 4.660 -0.000 0.000 0.315 280 W C 1.671 178.353 176.519 0.272 0.000 1.206 280 W CA 1.741 59.284 57.345 0.330 0.000 1.290 280 W CB -0.448 29.296 29.460 0.474 0.000 1.152 280 W HN 0.226 nan 8.180 nan 0.000 0.489 281 I N 0.133 120.953 120.570 0.417 0.000 2.208 281 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 281 I C 2.368 178.504 176.117 0.031 0.000 1.097 281 I CA 1.684 63.072 61.300 0.147 0.000 1.363 281 I CB -1.117 37.062 38.000 0.299 0.000 1.051 281 I HN 0.059 nan 8.210 nan 0.000 0.413 282 F N 1.479 121.417 119.950 -0.019 0.000 2.043 282 F HA -0.300 4.227 4.527 -0.000 0.000 0.297 282 F C 2.554 178.328 175.800 -0.044 0.000 1.121 282 F CA 1.985 59.969 58.000 -0.027 0.000 1.199 282 F CB -0.807 38.223 39.000 0.051 0.000 0.968 282 F HN 0.105 nan 8.300 nan 0.000 0.478 283 Q N -0.197 119.371 119.800 -0.388 0.000 2.123 283 Q HA -0.137 4.202 4.340 -0.000 0.000 0.199 283 Q C 2.015 177.776 176.000 -0.399 0.000 0.966 283 Q CA 1.062 56.560 55.803 -0.509 0.000 0.845 283 Q CB -0.205 28.364 28.738 -0.282 0.000 0.907 283 Q HN 0.291 nan 8.270 nan 0.000 0.439 284 K N 0.240 120.361 120.400 -0.465 0.000 2.519 284 K HA -0.017 4.303 4.320 -0.000 0.000 0.196 284 K C 1.546 177.983 176.600 -0.272 0.000 1.041 284 K CA 0.631 56.630 56.287 -0.480 0.000 0.954 284 K CB 0.201 32.114 32.500 -0.977 0.000 0.774 284 K HN 0.073 nan 8.250 nan 0.000 0.480 285 S N 0.420 115.983 115.700 -0.228 0.000 2.499 285 S HA 0.143 4.613 4.470 -0.000 0.000 0.225 285 S C 1.859 176.376 174.600 -0.138 0.000 1.050 285 S CA -0.105 58.022 58.200 -0.121 0.000 0.928 285 S CB 0.222 63.393 63.200 -0.048 0.000 0.803 285 S HN 0.143 nan 8.310 nan 0.000 0.506 286 L N 1.964 123.042 121.223 -0.242 0.000 2.109 286 L HA -0.058 4.281 4.340 -0.000 0.000 0.207 286 L C 3.121 179.899 176.870 -0.152 0.000 1.086 286 L CA 1.608 56.316 54.840 -0.219 0.000 0.760 286 L CB -0.806 41.038 42.059 -0.358 0.000 0.910 286 L HN 0.457 nan 8.230 nan 0.000 0.437 287 E N 0.837 120.938 120.200 -0.165 0.000 2.038 287 E HA -0.317 4.033 4.350 -0.000 0.000 0.195 287 E C 2.196 178.744 176.600 -0.087 0.000 1.000 287 E CA 1.757 58.085 56.400 -0.121 0.000 0.803 287 E CB -0.679 28.945 29.700 -0.127 0.000 0.750 287 E HN 0.513 nan 8.360 nan 0.000 0.448 288 R N -0.132 120.321 120.500 -0.078 0.000 2.092 288 R HA 0.126 4.466 4.340 -0.000 0.000 0.231 288 R C 2.568 178.904 176.300 0.061 0.000 1.119 288 R CA 1.500 57.584 56.100 -0.028 0.000 0.970 288 R CB -0.377 29.876 30.300 -0.078 0.000 0.864 288 R HN 0.392 nan 8.270 nan 0.000 0.440 289 A N -0.242 122.584 122.820 0.010 0.000 1.929 289 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 289 A C 2.158 179.770 177.584 0.046 0.000 1.176 289 A CA 1.549 53.609 52.037 0.038 0.000 0.628 289 A CB -0.669 18.329 19.000 -0.002 0.000 0.816 289 A HN 0.427 nan 8.150 nan 0.000 0.444 290 S N -0.897 114.800 115.700 -0.005 0.000 2.423 290 S HA -0.207 4.263 4.470 -0.000 0.000 0.231 290 S C 2.149 176.724 174.600 -0.042 0.000 1.014 290 S CA 1.520 59.707 58.200 -0.022 0.000 0.965 290 S CB -0.345 62.829 63.200 -0.044 0.000 0.785 290 S HN 0.679 nan 8.310 nan 0.000 0.495 291 Q N -0.857 118.900 119.800 -0.071 0.000 2.096 291 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 291 Q C 0.717 176.544 176.000 -0.289 0.000 0.982 291 Q CA 1.791 57.468 55.803 -0.210 0.000 0.850 291 Q CB -0.135 28.417 28.738 -0.309 0.000 0.901 291 Q HN 0.777 nan 8.270 nan 0.000 0.422 292 Y N -0.055 120.202 120.300 -0.071 0.000 2.485 292 Y HA 0.232 4.782 4.550 -0.000 0.000 0.260 292 Y C -0.218 175.657 175.900 -0.042 0.000 1.173 292 Y CA -0.338 57.727 58.100 -0.058 0.000 1.252 292 Y CB 0.556 38.976 38.460 -0.068 0.000 1.123 292 Y HN 0.119 nan 8.280 nan 0.000 0.524 293 N N 0.873 119.618 118.700 0.075 0.000 2.746 293 N HA -0.189 4.551 4.740 -0.000 0.000 0.250 293 N C -1.124 174.415 175.510 0.048 0.000 1.055 293 N CA 0.729 53.804 53.050 0.041 0.000 0.699 293 N CB -1.790 36.713 38.487 0.026 0.000 0.919 293 N HN 0.397 nan 8.380 nan 0.000 0.548 294 I N 0.537 121.138 120.570 0.051 0.000 2.355 294 I HA 0.276 4.446 4.170 -0.000 0.000 0.288 294 I C 0.994 177.124 176.117 0.022 0.000 0.999 294 I CA -0.623 60.697 61.300 0.033 0.000 1.163 294 I CB 1.342 39.357 38.000 0.025 0.000 1.316 294 I HN -0.121 nan 8.210 nan 0.000 0.454 295 R N 3.423 123.936 120.500 0.021 0.000 2.637 295 R HA 0.469 4.809 4.340 -0.000 0.000 0.269 295 R C 0.808 177.124 176.300 0.027 0.000 1.089 295 R CA 0.160 56.274 56.100 0.023 0.000 1.177 295 R CB 0.620 30.934 30.300 0.023 0.000 1.091 295 R HN 0.952 nan 8.270 nan 0.000 0.540 296 G N 0.276 109.100 108.800 0.040 0.000 2.248 296 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.263 296 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.263 296 G C -0.338 174.600 174.900 0.063 0.000 1.082 296 G CA -0.218 44.912 45.100 0.050 0.000 0.863 296 G HN 0.354 nan 8.290 nan 0.000 0.495 297 V N 2.166 122.134 119.914 0.090 0.000 2.304 297 V HA 0.564 4.684 4.120 -0.000 0.000 0.262 297 V C 1.087 177.365 176.094 0.307 0.000 1.061 297 V CA 0.370 62.755 62.300 0.143 0.000 0.872 297 V CB 0.560 32.442 31.823 0.097 0.000 1.077 297 V HN 0.784 nan 8.190 nan 0.000 0.480 298 T N 0.870 115.565 114.554 0.235 0.000 2.936 298 T HA 0.347 4.697 4.350 -0.000 0.000 0.282 298 T C 0.839 175.504 174.700 -0.058 0.000 1.003 298 T CA -0.433 61.780 62.100 0.189 0.000 1.005 298 T CB 1.219 70.133 68.868 0.077 0.000 1.097 298 T HN 0.357 nan 8.240 nan 0.000 0.532 299 Y N 0.790 120.704 120.300 -0.644 0.000 2.224 299 Y HA -0.051 4.499 4.550 -0.000 0.000 0.289 299 Y C 2.928 178.638 175.900 -0.316 0.000 1.146 299 Y CA 1.730 59.321 58.100 -0.848 0.000 1.182 299 Y CB -0.110 37.861 38.460 -0.816 0.000 0.983 299 Y HN 0.721 nan 8.280 nan 0.000 0.524 300 R N -0.420 120.051 120.500 -0.049 0.000 2.070 300 R HA -0.200 4.140 4.340 -0.000 0.000 0.232 300 R C 2.142 178.403 176.300 -0.064 0.000 1.138 300 R CA 1.855 57.941 56.100 -0.024 0.000 0.936 300 R CB -0.740 29.567 30.300 0.011 0.000 0.839 300 R HN 0.384 nan 8.270 nan 0.000 0.429 301 L N 0.817 122.018 121.223 -0.036 0.000 2.127 301 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 301 L C 2.024 178.873 176.870 -0.036 0.000 1.089 301 L CA 1.958 56.787 54.840 -0.019 0.000 0.757 301 L CB -0.800 41.265 42.059 0.011 0.000 0.899 301 L HN 0.265 nan 8.230 nan 0.000 0.434 302 T N -1.204 113.309 114.554 -0.069 0.000 2.708 302 T HA -0.268 4.082 4.350 -0.000 0.000 0.266 302 T C 1.811 176.429 174.700 -0.137 0.000 1.037 302 T CA 1.779 63.830 62.100 -0.081 0.000 1.146 302 T CB -0.117 68.703 68.868 -0.081 0.000 0.865 302 T HN 0.423 nan 8.240 nan 0.000 0.435 303 Q N -0.053 119.608 119.800 -0.233 0.000 2.119 303 Q HA -0.038 4.302 4.340 -0.000 0.000 0.201 303 Q C 2.538 178.485 176.000 -0.089 0.000 0.972 303 Q CA 1.316 57.009 55.803 -0.184 0.000 0.847 303 Q CB -0.381 28.236 28.738 -0.202 0.000 0.903 303 Q HN 0.587 nan 8.270 nan 0.000 0.433 304 G N -0.648 108.113 108.800 -0.065 0.000 2.448 304 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 304 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 304 G C 1.269 176.161 174.900 -0.012 0.000 1.127 304 G CA 0.890 45.972 45.100 -0.030 0.000 0.766 304 G HN 0.267 nan 8.290 nan 0.000 0.552 305 V N -0.086 119.823 119.914 -0.007 0.000 2.492 305 V HA -0.037 4.083 4.120 -0.000 0.000 0.241 305 V C 2.873 178.978 176.094 0.018 0.000 1.041 305 V CA 0.757 63.074 62.300 0.028 0.000 1.057 305 V CB 0.133 31.987 31.823 0.051 0.000 0.711 305 V HN 0.196 nan 8.190 nan 0.000 0.468 306 V N 0.192 120.101 119.914 -0.009 0.000 2.252 306 V HA -0.267 3.852 4.120 -0.000 0.000 0.249 306 V C 2.389 178.460 176.094 -0.038 0.000 1.056 306 V CA 1.942 64.226 62.300 -0.026 0.000 1.022 306 V CB -0.599 31.195 31.823 -0.049 0.000 0.641 306 V HN 0.444 nan 8.190 nan 0.000 0.445 307 K N -0.581 119.793 120.400 -0.043 0.000 2.426 307 K HA 0.109 4.429 4.320 -0.000 0.000 0.193 307 K C 0.330 176.909 176.600 -0.034 0.000 1.028 307 K CA -0.111 56.149 56.287 -0.046 0.000 1.047 307 K CB 0.070 32.541 32.500 -0.048 0.000 0.821 307 K HN 0.365 nan 8.250 nan 0.000 0.513 308 R N 0.775 121.262 120.500 -0.022 0.000 3.146 308 R HA -0.171 4.169 4.340 -0.000 0.000 0.250 308 R C -0.418 175.871 176.300 -0.019 0.000 0.912 308 R CA 0.424 56.514 56.100 -0.017 0.000 0.633 308 R CB -2.567 27.719 30.300 -0.024 0.000 1.180 308 R HN 0.250 nan 8.270 nan 0.000 0.464 309 I N 2.500 123.060 120.570 -0.018 0.000 2.396 309 I HA 0.078 4.248 4.170 -0.000 0.000 0.289 309 I C 1.318 177.425 176.117 -0.017 0.000 1.056 309 I CA -0.306 60.982 61.300 -0.020 0.000 1.365 309 I CB 0.606 38.594 38.000 -0.021 0.000 1.407 309 I HN 0.035 nan 8.210 nan 0.000 0.509 310 I N 8.843 129.402 120.570 -0.018 0.000 2.396 310 I HA 0.211 4.381 4.170 -0.000 0.000 0.289 310 I C -1.855 174.242 176.117 -0.033 0.000 1.056 310 I CA -2.088 59.200 61.300 -0.020 0.000 1.365 310 I CB -0.140 37.852 38.000 -0.013 0.000 1.407 310 I HN 0.258 nan 8.210 nan 0.000 0.509 311 P HA 0.315 nan 4.420 nan 0.000 0.267 311 P C -0.724 176.507 177.300 -0.115 0.000 1.205 311 P CA -0.023 63.029 63.100 -0.080 0.000 0.765 311 P CB 0.728 32.369 31.700 -0.098 0.000 0.828 312 A N 2.475 125.230 122.820 -0.110 0.000 2.488 312 A HA 0.689 5.008 4.320 -0.000 0.000 0.298 312 A C -0.639 176.890 177.584 -0.091 0.000 1.044 312 A CA -0.541 51.436 52.037 -0.101 0.000 0.693 312 A CB 1.476 20.448 19.000 -0.047 0.000 1.272 312 A HN 0.414 nan 8.150 nan 0.000 0.402 313 V N -1.185 118.678 119.914 -0.086 0.000 3.141 313 V HA 0.893 5.013 4.120 -0.000 0.000 0.312 313 V C 0.956 177.061 176.094 0.018 0.000 1.157 313 V CA -0.035 62.254 62.300 -0.018 0.000 1.041 313 V CB 1.186 33.021 31.823 0.020 0.000 1.071 313 V HN 1.805 nan 8.190 nan 0.000 0.441 314 A N 1.136 123.979 122.820 0.039 0.000 1.898 314 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 314 A C 2.295 179.901 177.584 0.035 0.000 1.181 314 A CA 2.492 54.552 52.037 0.038 0.000 0.620 314 A CB -1.136 17.884 19.000 0.033 0.000 0.819 314 A HN 1.638 nan 8.150 nan 0.000 0.442 315 S N -0.193 115.545 115.700 0.064 0.000 2.353 315 S HA -0.204 4.266 4.470 -0.000 0.000 0.222 315 S C 1.910 176.548 174.600 0.063 0.000 1.035 315 S CA 2.094 60.336 58.200 0.070 0.000 1.025 315 S CB -1.477 61.800 63.200 0.128 0.000 0.902 315 S HN 0.518 nan 8.310 nan 0.000 0.440 316 T N 3.049 117.680 114.554 0.129 0.000 2.652 316 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 316 T C 1.854 176.552 174.700 -0.003 0.000 1.039 316 T CA 1.451 63.622 62.100 0.119 0.000 1.153 316 T CB -0.772 68.211 68.868 0.192 0.000 0.863 316 T HN 0.375 nan 8.240 nan 0.000 0.428 317 N N 1.421 120.125 118.700 0.006 0.000 2.091 317 N HA -0.149 4.591 4.740 -0.000 0.000 0.193 317 N C 2.120 177.607 175.510 -0.037 0.000 1.021 317 N CA 1.576 54.618 53.050 -0.013 0.000 0.862 317 N CB -0.586 37.902 38.487 0.003 0.000 1.018 317 N HN 0.470 nan 8.380 nan 0.000 0.429 318 A N 0.897 123.694 122.820 -0.038 0.000 1.851 318 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 318 A C 2.599 180.107 177.584 -0.127 0.000 1.195 318 A CA 1.780 53.778 52.037 -0.065 0.000 0.622 318 A CB -1.035 17.924 19.000 -0.069 0.000 0.831 318 A HN 0.108 nan 8.150 nan 0.000 0.444 319 V N 0.623 120.418 119.914 -0.199 0.000 2.278 319 V HA -0.310 3.810 4.120 -0.000 0.000 0.251 319 V C 2.479 178.390 176.094 -0.305 0.000 1.062 319 V CA 2.126 64.218 62.300 -0.347 0.000 1.038 319 V CB -0.713 30.671 31.823 -0.732 0.000 0.646 319 V HN 0.537 nan 8.190 nan 0.000 0.447 320 I N 0.352 120.775 120.570 -0.246 0.000 2.202 320 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 320 I C 2.682 178.721 176.117 -0.129 0.000 1.091 320 I CA 1.946 63.142 61.300 -0.173 0.000 1.368 320 I CB -1.707 36.227 38.000 -0.110 0.000 1.058 320 I HN 0.325 nan 8.210 nan 0.000 0.410 321 A N 0.769 123.529 122.820 -0.100 0.000 1.972 321 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 321 A C 2.549 180.086 177.584 -0.078 0.000 1.169 321 A CA 1.717 53.711 52.037 -0.073 0.000 0.635 321 A CB -0.606 18.369 19.000 -0.042 0.000 0.810 321 A HN 0.414 nan 8.150 nan 0.000 0.446 322 A N -0.448 122.312 122.820 -0.100 0.000 1.873 322 A HA 0.031 4.351 4.320 -0.000 0.000 0.215 322 A C 2.217 179.736 177.584 -0.108 0.000 1.186 322 A CA 1.683 53.659 52.037 -0.102 0.000 0.616 322 A CB -0.927 17.998 19.000 -0.124 0.000 0.823 322 A HN 0.359 nan 8.150 nan 0.000 0.442 323 V N -0.290 119.546 119.914 -0.130 0.000 2.255 323 V HA -0.367 3.753 4.120 -0.000 0.000 0.247 323 V C 2.716 178.749 176.094 -0.100 0.000 1.051 323 V CA 2.149 64.374 62.300 -0.126 0.000 1.018 323 V CB -1.365 30.370 31.823 -0.147 0.000 0.641 323 V HN 0.723 nan 8.190 nan 0.000 0.445 324 C N 0.402 119.642 119.300 -0.098 0.000 2.393 324 C HA -0.193 4.267 4.460 -0.000 0.000 0.276 324 C C 3.113 178.068 174.990 -0.060 0.000 1.215 324 C CA 0.899 59.867 59.018 -0.083 0.000 1.743 324 C CB -1.588 26.102 27.740 -0.084 0.000 2.044 324 C HN 0.651 nan 8.230 nan 0.000 0.464 325 A N 0.731 123.519 122.820 -0.053 0.000 1.859 325 A HA -0.244 4.075 4.320 -0.000 0.000 0.217 325 A C 2.180 179.786 177.584 0.036 0.000 1.198 325 A CA 2.949 54.974 52.037 -0.020 0.000 0.629 325 A CB -1.498 17.492 19.000 -0.017 0.000 0.830 325 A HN 0.594 nan 8.150 nan 0.000 0.446 326 T N 0.268 114.818 114.554 -0.007 0.000 2.649 326 T HA -0.203 4.146 4.350 -0.000 0.000 0.268 326 T C 1.724 176.479 174.700 0.091 0.000 1.036 326 T CA 1.779 63.883 62.100 0.007 0.000 1.157 326 T CB -0.379 68.441 68.868 -0.080 0.000 0.861 326 T HN 0.540 nan 8.240 nan 0.000 0.445 327 E N 0.536 120.753 120.200 0.029 0.000 2.152 327 E HA -0.015 4.335 4.350 -0.000 0.000 0.192 327 E C 2.537 179.171 176.600 0.057 0.000 0.983 327 E CA 0.491 56.908 56.400 0.029 0.000 0.818 327 E CB -0.635 29.049 29.700 -0.026 0.000 0.758 327 E HN 0.376 nan 8.360 nan 0.000 0.467 328 V N 1.269 121.211 119.914 0.047 0.000 2.343 328 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 328 V C 2.137 178.352 176.094 0.202 0.000 1.051 328 V CA 1.645 63.959 62.300 0.023 0.000 1.036 328 V CB -0.626 31.113 31.823 -0.140 0.000 0.654 328 V HN 0.130 nan 8.190 nan 0.000 0.451 329 F N 1.204 121.267 119.950 0.188 0.000 2.075 329 F HA -0.169 4.357 4.527 -0.000 0.000 0.297 329 F C 2.427 178.326 175.800 0.165 0.000 1.113 329 F CA 1.889 60.065 58.000 0.293 0.000 1.218 329 F CB -0.251 38.862 39.000 0.190 0.000 0.984 329 F HN -0.025 nan 8.300 nan 0.000 0.472 330 K N 0.278 120.794 120.400 0.194 0.000 2.063 330 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 330 K C 2.079 178.667 176.600 -0.019 0.000 1.048 330 K CA 2.030 58.369 56.287 0.086 0.000 0.928 330 K CB -0.392 32.198 32.500 0.151 0.000 0.713 330 K HN 0.373 nan 8.250 nan 0.000 0.442 331 I N 0.707 121.276 120.570 -0.001 0.000 2.315 331 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 331 I C 2.418 178.511 176.117 -0.040 0.000 1.117 331 I CA 0.896 62.174 61.300 -0.037 0.000 1.404 331 I CB -0.237 37.752 38.000 -0.018 0.000 1.071 331 I HN 0.119 nan 8.210 nan 0.000 0.419 332 A N 0.340 123.162 122.820 0.003 0.000 1.968 332 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 332 A C 2.294 179.823 177.584 -0.092 0.000 1.169 332 A CA 2.059 54.109 52.037 0.022 0.000 0.638 332 A CB -0.748 18.388 19.000 0.227 0.000 0.812 332 A HN 0.492 nan 8.150 nan 0.000 0.446 333 T N -6.152 108.276 114.554 -0.211 0.000 2.985 333 T HA 0.236 4.585 4.350 -0.000 0.000 0.254 333 T C 0.750 175.427 174.700 -0.038 0.000 1.021 333 T CA 0.917 62.882 62.100 -0.225 0.000 0.957 333 T CB 0.054 68.579 68.868 -0.572 0.000 1.047 333 T HN 0.416 nan 8.240 nan 0.000 0.511 334 S N 0.543 116.215 115.700 -0.047 0.000 3.402 334 S HA -0.256 4.213 4.470 -0.000 0.000 0.329 334 S C 1.542 176.226 174.600 0.139 0.000 1.194 334 S CA 0.587 58.802 58.200 0.025 0.000 0.951 334 S CB -1.775 61.465 63.200 0.065 0.000 0.975 334 S HN 1.054 nan 8.310 nan 0.000 0.574 335 A N -1.230 121.614 122.820 0.041 0.000 1.972 335 A HA 0.244 4.564 4.320 -0.000 0.000 0.219 335 A C 0.564 177.907 177.584 -0.402 0.000 1.169 335 A CA 1.440 53.380 52.037 -0.162 0.000 0.635 335 A CB -0.049 19.022 19.000 0.120 0.000 0.810 335 A HN 0.703 nan 8.150 nan 0.000 0.446 336 Y N -2.585 117.724 120.300 0.015 0.000 2.670 336 Y HA 0.413 4.963 4.550 -0.000 0.000 0.334 336 Y C -0.182 175.785 175.900 0.112 0.000 1.185 336 Y CA -1.396 56.741 58.100 0.062 0.000 1.053 336 Y CB 0.964 39.459 38.460 0.059 0.000 1.298 336 Y HN -0.068 nan 8.280 nan 0.000 0.459 337 I N 4.643 125.415 120.570 0.336 0.000 2.664 337 I HA 0.060 4.230 4.170 -0.000 0.000 0.284 337 I C -2.160 174.054 176.117 0.162 0.000 1.154 337 I CA -1.399 60.065 61.300 0.272 0.000 1.402 337 I CB -0.467 37.653 38.000 0.200 0.000 1.395 337 I HN 0.224 nan 8.210 nan 0.000 0.545 338 P HA -0.022 nan 4.420 nan 0.000 0.267 338 P C -0.145 177.167 177.300 0.019 0.000 1.200 338 P CA -0.575 62.553 63.100 0.046 0.000 0.772 338 P CB 0.711 32.420 31.700 0.015 0.000 0.855 339 L N 2.504 123.716 121.223 -0.018 0.000 2.667 339 L HA -0.041 4.299 4.340 -0.000 0.000 0.278 339 L C 0.565 177.404 176.870 -0.052 0.000 1.217 339 L CA 0.603 55.412 54.840 -0.051 0.000 0.935 339 L CB -0.912 41.097 42.059 -0.083 0.000 1.193 339 L HN 0.248 nan 8.230 nan 0.000 0.493 340 N N 5.830 124.498 118.700 -0.053 0.000 3.050 340 N HA 0.109 4.849 4.740 -0.000 0.000 0.289 340 N C 0.106 175.556 175.510 -0.100 0.000 1.209 340 N CA 0.356 53.375 53.050 -0.052 0.000 1.154 340 N CB -0.434 38.036 38.487 -0.027 0.000 1.444 340 N HN 0.831 nan 8.380 nan 0.000 0.529 341 N N -0.047 118.588 118.700 -0.109 0.000 2.289 341 N HA -0.239 4.501 4.740 -0.000 0.000 0.218 341 N C -1.051 174.359 175.510 -0.166 0.000 0.941 341 N CA 0.470 53.438 53.050 -0.136 0.000 4.169 341 N CB -0.789 37.586 38.487 -0.187 0.000 0.886 341 N HN 0.381 nan 8.380 nan 0.000 0.370 342 Y N 1.520 121.541 120.300 -0.466 0.000 2.433 342 Y HA 0.709 5.259 4.550 -0.000 0.000 0.337 342 Y C -1.173 174.503 175.900 -0.373 0.000 1.026 342 Y CA -0.618 57.167 58.100 -0.525 0.000 1.037 342 Y CB 1.314 39.124 38.460 -1.083 0.000 1.245 342 Y HN 0.319 nan 8.280 nan 0.000 0.443 343 L N 6.611 127.646 121.223 -0.314 0.000 2.386 343 L HA 0.860 5.200 4.340 -0.000 0.000 0.271 343 L C -1.835 174.998 176.870 -0.062 0.000 0.993 343 L CA -0.861 53.907 54.840 -0.119 0.000 0.819 343 L CB 1.689 43.668 42.059 -0.134 0.000 1.294 343 L HN 0.536 nan 8.230 nan 0.000 0.414 344 V N 5.026 125.045 119.914 0.175 0.000 2.680 344 V HA 0.586 4.706 4.120 -0.000 0.000 0.309 344 V C -1.413 174.834 176.094 0.255 0.000 1.052 344 V CA -0.439 62.012 62.300 0.251 0.000 0.908 344 V CB 1.997 34.079 31.823 0.431 0.000 1.001 344 V HN 0.641 nan 8.190 nan 0.000 0.431 345 F N 6.243 126.245 119.950 0.087 0.000 2.540 345 F HA 0.738 5.265 4.527 -0.000 0.000 0.317 345 F C -0.644 175.236 175.800 0.133 0.000 1.104 345 F CA -0.449 57.597 58.000 0.077 0.000 0.913 345 F CB 1.889 40.910 39.000 0.035 0.000 1.170 345 F HN 0.543 nan 8.300 nan 0.000 0.450 346 N N 3.429 121.784 118.700 -0.576 0.000 2.287 346 N HA 0.268 5.008 4.740 -0.000 0.000 0.289 346 N C -1.421 173.710 175.510 -0.632 0.000 1.066 346 N CA -0.383 52.431 53.050 -0.393 0.000 0.841 346 N CB 1.934 40.392 38.487 -0.049 0.000 1.599 346 N HN 0.670 nan 8.380 nan 0.000 0.476 347 D N 2.145 122.323 120.400 -0.370 0.000 2.556 347 D HA 0.263 4.903 4.640 -0.000 0.000 0.237 347 D C 0.688 176.854 176.300 -0.223 0.000 1.296 347 D CA 0.224 54.043 54.000 -0.302 0.000 0.807 347 D CB 0.602 41.377 40.800 -0.042 0.000 1.084 347 D HN 0.277 nan 8.370 nan 0.000 0.510 348 V N -0.286 119.533 119.914 -0.157 0.000 2.575 348 V HA 0.105 4.225 4.120 -0.000 0.000 0.242 348 V C 0.711 176.720 176.094 -0.142 0.000 1.045 348 V CA 0.714 62.915 62.300 -0.166 0.000 1.065 348 V CB 0.200 32.001 31.823 -0.036 0.000 0.717 348 V HN 0.127 nan 8.190 nan 0.000 0.467 349 D N -0.203 120.133 120.400 -0.106 0.000 2.461 349 D HA 0.451 5.091 4.640 -0.000 0.000 0.240 349 D C 0.689 176.945 176.300 -0.074 0.000 1.094 349 D CA 0.919 54.868 54.000 -0.085 0.000 0.868 349 D CB 0.980 41.736 40.800 -0.074 0.000 1.062 349 D HN 0.294 nan 8.370 nan 0.000 0.530 350 G N 2.513 111.273 108.800 -0.068 0.000 2.596 350 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.295 350 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.295 350 G C -0.660 174.205 174.900 -0.058 0.000 1.240 350 G CA 0.795 45.868 45.100 -0.045 0.000 0.985 350 G HN 0.728 nan 8.290 nan 0.000 0.555 351 L N -2.775 118.435 121.223 -0.022 0.000 2.482 351 L HA 0.844 5.184 4.340 -0.000 0.000 0.263 351 L C -0.738 176.158 176.870 0.043 0.000 0.957 351 L CA -1.908 52.898 54.840 -0.056 0.000 0.836 351 L CB 0.828 42.854 42.059 -0.054 0.000 1.324 351 L HN 1.165 nan 8.230 nan 0.000 0.406 352 Y N 0.933 121.140 120.300 -0.155 0.000 2.477 352 Y HA 0.835 5.385 4.550 -0.000 0.000 0.347 352 Y C -0.495 175.396 175.900 -0.016 0.000 0.981 352 Y CA -0.174 57.893 58.100 -0.054 0.000 1.033 352 Y CB 2.268 40.697 38.460 -0.052 0.000 1.245 352 Y HN 0.966 nan 8.280 nan 0.000 0.455 353 T N 2.544 116.794 114.554 -0.507 0.000 2.907 353 T HA 0.521 4.871 4.350 -0.000 0.000 0.292 353 T C -1.897 172.425 174.700 -0.629 0.000 1.043 353 T CA -0.701 61.177 62.100 -0.369 0.000 1.003 353 T CB 1.896 70.739 68.868 -0.041 0.000 1.084 353 T HN 0.634 nan 8.240 nan 0.000 0.483 354 Y N 0.862 120.940 120.300 -0.370 0.000 2.406 354 Y HA 0.602 5.152 4.550 -0.000 0.000 0.340 354 Y C -0.967 174.995 175.900 0.103 0.000 0.975 354 Y CA -0.688 57.328 58.100 -0.141 0.000 1.056 354 Y CB 2.229 40.715 38.460 0.045 0.000 1.210 354 Y HN 0.938 nan 8.280 nan 0.000 0.448 355 T N 7.931 122.142 114.554 -0.571 0.000 2.812 355 T HA 0.636 4.986 4.350 -0.000 0.000 0.282 355 T C -1.159 173.242 174.700 -0.498 0.000 0.990 355 T CA -0.414 61.457 62.100 -0.381 0.000 0.960 355 T CB 0.470 69.201 68.868 -0.227 0.000 0.948 355 T HN 0.523 nan 8.240 nan 0.000 0.438 356 F N -0.157 119.557 119.950 -0.394 0.000 2.726 356 F HA 0.749 5.276 4.527 -0.000 0.000 0.324 356 F C -0.662 175.092 175.800 -0.077 0.000 1.140 356 F CA -1.378 56.463 58.000 -0.266 0.000 0.964 356 F CB 1.593 40.461 39.000 -0.221 0.000 1.399 356 F HN 0.429 nan 8.300 nan 0.000 0.491 357 E N 1.681 121.926 120.200 0.076 0.000 2.121 357 E HA 0.559 4.909 4.350 -0.000 0.000 0.255 357 E C -0.853 175.799 176.600 0.086 0.000 0.906 357 E CA -0.927 55.462 56.400 -0.017 0.000 0.745 357 E CB 1.118 30.836 29.700 0.031 0.000 1.155 357 E HN 0.955 nan 8.360 nan 0.000 0.424 358 A N 4.504 127.270 122.820 -0.090 0.000 2.522 358 A HA -0.003 4.317 4.320 -0.000 0.000 0.256 358 A C 0.312 177.935 177.584 0.066 0.000 1.086 358 A CA 0.039 52.122 52.037 0.076 0.000 0.763 358 A CB 0.120 19.093 19.000 -0.046 0.000 1.024 358 A HN 0.804 nan 8.150 nan 0.000 0.502 359 E N 2.633 122.889 120.200 0.093 0.000 2.344 359 E HA 0.155 4.504 4.350 -0.000 0.000 0.270 359 E C 0.389 177.014 176.600 0.043 0.000 1.021 359 E CA -0.441 55.994 56.400 0.059 0.000 0.887 359 E CB 0.455 30.188 29.700 0.056 0.000 0.997 359 E HN 0.608 nan 8.360 nan 0.000 0.429 360 R N 4.184 124.703 120.500 0.033 0.000 2.449 360 R HA 0.027 4.367 4.340 -0.000 0.000 0.296 360 R C -0.286 176.028 176.300 0.024 0.000 1.047 360 R CA -0.025 56.092 56.100 0.027 0.000 1.018 360 R CB 0.457 30.772 30.300 0.025 0.000 0.962 360 R HN 0.493 nan 8.270 nan 0.000 0.428 361 K N 3.224 123.637 120.400 0.022 0.000 2.416 361 K HA -0.024 4.296 4.320 -0.000 0.000 0.283 361 K C 1.265 177.870 176.600 0.009 0.000 1.037 361 K CA 0.510 56.807 56.287 0.017 0.000 0.995 361 K CB 1.175 33.686 32.500 0.019 0.000 0.938 361 K HN 0.769 nan 8.250 nan 0.000 0.475 362 E N 2.118 122.321 120.200 0.005 0.000 2.106 362 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 362 E C 1.243 177.834 176.600 -0.014 0.000 0.984 362 E CA 1.810 58.208 56.400 -0.004 0.000 0.806 362 E CB -0.787 28.911 29.700 -0.004 0.000 0.750 362 E HN 0.787 nan 8.360 nan 0.000 0.458 363 N N -0.192 118.501 118.700 -0.011 0.000 2.839 363 N HA 0.402 5.142 4.740 -0.000 0.000 0.314 363 N C -0.019 175.479 175.510 -0.021 0.000 1.449 363 N CA 0.190 53.227 53.050 -0.021 0.000 1.050 363 N CB -0.528 37.951 38.487 -0.014 0.000 1.364 363 N HN 0.554 nan 8.380 nan 0.000 0.512 364 C N 1.162 120.450 119.300 -0.019 0.000 2.585 364 C HA 0.405 4.864 4.460 -0.000 0.000 0.406 364 C C -1.056 173.911 174.990 -0.039 0.000 1.312 364 C CA -1.326 57.683 59.018 -0.014 0.000 1.924 364 C CB 0.917 28.656 27.740 -0.001 0.000 2.578 364 C HN 0.565 nan 8.230 nan 0.000 0.580 365 P HA 0.031 nan 4.420 nan 0.000 0.226 365 P C 0.834 178.094 177.300 -0.066 0.000 1.153 365 P CA 1.590 64.643 63.100 -0.079 0.000 0.777 365 P CB 0.154 31.833 31.700 -0.035 0.000 0.794 366 A N -0.709 122.091 122.820 -0.034 0.000 1.938 366 A HA 0.004 4.324 4.320 -0.000 0.000 0.207 366 A C 2.060 179.632 177.584 -0.020 0.000 1.292 366 A CA 1.036 53.056 52.037 -0.029 0.000 0.700 366 A CB -0.970 18.020 19.000 -0.017 0.000 0.947 366 A HN 0.363 nan 8.150 nan 0.000 0.476 367 C N -0.012 119.284 119.300 -0.007 0.000 2.906 367 C HA 0.499 4.958 4.460 -0.000 0.000 0.274 367 C C 1.271 176.270 174.990 0.015 0.000 1.257 367 C CA -0.038 58.990 59.018 0.016 0.000 1.695 367 C CB -1.557 26.197 27.740 0.024 0.000 1.958 367 C HN 0.497 nan 8.230 nan 0.000 0.619 368 S N 0.056 115.743 115.700 -0.021 0.000 2.616 368 S HA 0.356 4.826 4.470 -0.000 0.000 0.277 368 S C 0.608 175.153 174.600 -0.092 0.000 1.234 368 S CA -0.060 58.111 58.200 -0.048 0.000 1.028 368 S CB 1.280 64.449 63.200 -0.052 0.000 0.988 368 S HN 0.585 nan 8.310 nan 0.000 0.522 369 Q N 0.939 120.645 119.800 -0.157 0.000 1.990 369 Q HA 0.086 4.426 4.340 -0.000 0.000 0.200 369 Q C 1.002 176.899 176.000 -0.171 0.000 0.980 369 Q CA 1.652 57.305 55.803 -0.250 0.000 0.832 369 Q CB -0.510 27.996 28.738 -0.387 0.000 0.897 369 Q HN 0.865 nan 8.270 nan 0.000 0.427 370 L N 1.813 122.954 121.223 -0.136 0.000 2.371 370 L HA 0.366 4.706 4.340 -0.000 0.000 0.272 370 L C -1.895 174.913 176.870 -0.103 0.000 1.124 370 L CA -1.690 53.087 54.840 -0.104 0.000 0.816 370 L CB -1.085 40.926 42.059 -0.080 0.000 1.129 370 L HN 0.072 nan 8.230 nan 0.000 0.448 371 P HA 0.026 nan 4.420 nan 0.000 0.271 371 P C -0.473 176.745 177.300 -0.138 0.000 1.197 371 P CA 0.030 63.055 63.100 -0.126 0.000 0.777 371 P CB 0.364 32.021 31.700 -0.071 0.000 0.827 372 Q N 1.488 121.134 119.800 -0.257 0.000 2.354 372 Q HA 0.186 4.526 4.340 -0.000 0.000 0.244 372 Q C -0.035 175.976 176.000 0.018 0.000 0.969 372 Q CA 0.232 55.912 55.803 -0.205 0.000 0.885 372 Q CB 0.409 28.811 28.738 -0.559 0.000 1.241 372 Q HN 0.345 nan 8.270 nan 0.000 0.461 373 N N 2.386 121.140 118.700 0.090 0.000 2.621 373 N HA 0.304 5.044 4.740 -0.000 0.000 0.237 373 N C -0.416 175.197 175.510 0.171 0.000 0.997 373 N CA -0.174 52.976 53.050 0.167 0.000 0.918 373 N CB 0.579 39.116 38.487 0.083 0.000 1.122 373 N HN 0.462 nan 8.380 nan 0.000 0.510 374 I N -0.735 119.978 120.570 0.238 0.000 2.498 374 I HA 0.521 4.691 4.170 -0.000 0.000 0.301 374 I C -0.431 175.688 176.117 0.002 0.000 0.984 374 I CA -0.868 60.475 61.300 0.071 0.000 1.204 374 I CB 1.392 39.520 38.000 0.213 0.000 1.362 374 I HN -0.010 nan 8.210 nan 0.000 0.471 375 Q N 4.811 124.412 119.800 -0.331 0.000 2.327 375 Q HA 0.658 4.998 4.340 -0.000 0.000 0.270 375 Q C -1.634 174.047 176.000 -0.531 0.000 1.022 375 Q CA -0.032 55.622 55.803 -0.248 0.000 0.773 375 Q CB 2.114 30.730 28.738 -0.203 0.000 1.251 375 Q HN 0.599 nan 8.270 nan 0.000 0.457 376 F N -0.343 119.654 119.950 0.078 0.000 2.599 376 F HA 0.507 5.034 4.527 -0.000 0.000 0.311 376 F C 0.319 176.239 175.800 0.200 0.000 1.076 376 F CA -1.039 57.022 58.000 0.101 0.000 0.937 376 F CB 2.009 41.066 39.000 0.094 0.000 1.282 376 F HN 0.368 nan 8.300 nan 0.000 0.460 377 S N 2.407 118.296 115.700 0.315 0.000 2.562 377 S HA 0.199 4.669 4.470 -0.000 0.000 0.281 377 S C -1.842 172.801 174.600 0.073 0.000 1.333 377 S CA -0.935 57.359 58.200 0.157 0.000 1.052 377 S CB 0.854 64.103 63.200 0.081 0.000 0.884 377 S HN 0.384 nan 8.310 nan 0.000 0.506 378 P HA 0.143 nan 4.420 nan 0.000 0.239 378 P C 0.354 177.483 177.300 -0.285 0.000 1.184 378 P CA 0.945 63.621 63.100 -0.708 0.000 0.760 378 P CB -0.241 30.811 31.700 -1.080 0.000 0.884 379 S N -1.019 114.601 115.700 -0.133 0.000 2.581 379 S HA 0.596 5.066 4.470 -0.000 0.000 0.245 379 S C 1.397 175.982 174.600 -0.026 0.000 1.115 379 S CA -0.019 58.135 58.200 -0.076 0.000 1.093 379 S CB -0.240 62.919 63.200 -0.068 0.000 0.853 379 S HN 0.038 nan 8.310 nan 0.000 0.479 380 A N 0.362 123.179 122.820 -0.005 0.000 2.021 380 A HA 0.465 4.785 4.320 -0.000 0.000 0.216 380 A C 2.009 179.557 177.584 -0.060 0.000 1.163 380 A CA 2.203 54.245 52.037 0.008 0.000 0.676 380 A CB -0.344 18.681 19.000 0.042 0.000 0.818 380 A HN 1.648 nan 8.150 nan 0.000 0.453 381 K N -3.644 116.708 120.400 -0.080 0.000 3.364 381 K HA -0.149 4.171 4.320 -0.000 0.000 0.444 381 K C 1.173 177.700 176.600 -0.121 0.000 0.351 381 K CA 1.846 58.080 56.287 -0.087 0.000 1.959 381 K CB -1.851 30.606 32.500 -0.073 0.000 0.547 381 K HN 1.840 nan 8.250 nan 0.000 0.423 382 L N -3.896 117.223 121.223 -0.174 0.000 1.746 382 L HA -0.121 4.218 4.340 -0.000 0.000 0.501 382 L C 1.741 178.495 176.870 -0.194 0.000 0.736 382 L CA 2.808 57.529 54.840 -0.198 0.000 2.975 382 L CB -1.141 40.827 42.059 -0.151 0.000 0.864 382 L HN 0.958 nan 8.230 nan 0.000 0.702 383 Q N 1.350 121.049 119.800 -0.169 0.000 2.133 383 Q HA -0.170 4.170 4.340 -0.000 0.000 0.208 383 Q C 2.025 177.967 176.000 -0.096 0.000 0.991 383 Q CA 3.871 59.592 55.803 -0.137 0.000 0.867 383 Q CB -0.413 28.258 28.738 -0.112 0.000 0.911 383 Q HN 0.716 nan 8.270 nan 0.000 0.417 384 E N -0.895 119.239 120.200 -0.110 0.000 2.110 384 E HA -0.100 4.249 4.350 -0.000 0.000 0.193 384 E C 2.027 178.560 176.600 -0.113 0.000 0.988 384 E CA 1.482 57.846 56.400 -0.060 0.000 0.804 384 E CB -0.917 28.764 29.700 -0.032 0.000 0.745 384 E HN 0.298 nan 8.360 nan 0.000 0.458 385 V N 0.757 120.447 119.914 -0.373 0.000 2.244 385 V HA -0.182 3.938 4.120 -0.000 0.000 0.244 385 V C 2.715 178.778 176.094 -0.051 0.000 1.042 385 V CA 1.638 63.688 62.300 -0.417 0.000 1.006 385 V CB -0.590 30.906 31.823 -0.544 0.000 0.641 385 V HN 0.540 nan 8.190 nan 0.000 0.446 386 L N 0.124 121.304 121.223 -0.072 0.000 1.997 386 L HA -0.280 4.059 4.340 -0.000 0.000 0.216 386 L C 2.544 179.436 176.870 0.036 0.000 1.074 386 L CA 2.065 56.900 54.840 -0.008 0.000 0.763 386 L CB -0.811 41.248 42.059 -0.000 0.000 0.890 386 L HN 0.412 nan 8.230 nan 0.000 0.434 387 D N -1.173 119.254 120.400 0.046 0.000 2.158 387 D HA -0.271 4.369 4.640 -0.000 0.000 0.197 387 D C 1.835 178.209 176.300 0.124 0.000 0.995 387 D CA 1.480 55.525 54.000 0.074 0.000 0.846 387 D CB -0.243 40.602 40.800 0.075 0.000 0.941 387 D HN 0.416 nan 8.370 nan 0.000 0.456 388 Y N 1.254 121.603 120.300 0.082 0.000 2.242 388 Y HA -0.082 4.468 4.550 -0.000 0.000 0.291 388 Y C 2.196 178.144 175.900 0.080 0.000 1.137 388 Y CA 1.061 59.237 58.100 0.126 0.000 1.181 388 Y CB -0.279 38.349 38.460 0.280 0.000 0.989 388 Y HN -0.100 nan 8.280 nan 0.000 0.527 389 L N -1.064 120.155 121.223 -0.007 0.000 2.093 389 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 389 L C 2.265 179.084 176.870 -0.085 0.000 1.085 389 L CA 1.689 56.472 54.840 -0.096 0.000 0.755 389 L CB -0.874 41.141 42.059 -0.073 0.000 0.904 389 L HN 0.180 nan 8.230 nan 0.000 0.435 390 T N -0.376 114.153 114.554 -0.042 0.000 2.770 390 T HA -0.085 4.265 4.350 -0.000 0.000 0.263 390 T C 1.614 176.287 174.700 -0.045 0.000 1.039 390 T CA 1.440 63.526 62.100 -0.024 0.000 1.142 390 T CB -0.095 68.776 68.868 0.005 0.000 0.868 390 T HN 0.287 nan 8.240 nan 0.000 0.435 391 N N 0.810 119.472 118.700 -0.063 0.000 2.387 391 N HA 0.107 4.847 4.740 -0.000 0.000 0.176 391 N C 0.840 176.296 175.510 -0.090 0.000 1.022 391 N CA 0.155 53.174 53.050 -0.051 0.000 0.883 391 N CB -0.327 38.155 38.487 -0.009 0.000 1.019 391 N HN 0.212 nan 8.380 nan 0.000 0.435 392 S N 0.514 116.089 115.700 -0.208 0.000 2.544 392 S HA 0.210 4.680 4.470 -0.000 0.000 0.290 392 S C 1.405 175.935 174.600 -0.117 0.000 1.276 392 S CA -0.083 57.982 58.200 -0.225 0.000 1.075 392 S CB 0.538 63.398 63.200 -0.566 0.000 0.849 392 S HN 0.358 nan 8.310 nan 0.000 0.494 393 A N 4.595 127.386 122.820 -0.049 0.000 2.032 393 A HA -0.092 4.227 4.320 -0.000 0.000 0.221 393 A C 2.330 179.912 177.584 -0.004 0.000 1.165 393 A CA 2.082 54.111 52.037 -0.013 0.000 0.645 393 A CB -1.062 17.941 19.000 0.006 0.000 0.807 393 A HN 1.171 nan 8.150 nan 0.000 0.453 394 S N -0.632 115.061 115.700 -0.012 0.000 2.414 394 S HA 0.068 4.538 4.470 -0.000 0.000 0.227 394 S C 1.715 176.324 174.600 0.014 0.000 1.022 394 S CA 1.202 59.410 58.200 0.013 0.000 0.958 394 S CB -0.360 62.860 63.200 0.033 0.000 0.797 394 S HN 0.473 nan 8.310 nan 0.000 0.493 395 L N -0.002 121.209 121.223 -0.019 0.000 2.262 395 L HA 0.227 4.567 4.340 -0.000 0.000 0.197 395 L C 0.824 177.700 176.870 0.010 0.000 1.073 395 L CA 0.168 55.016 54.840 0.013 0.000 0.800 395 L CB -0.679 41.381 42.059 0.002 0.000 0.987 395 L HN 0.188 nan 8.230 nan 0.000 0.470 396 Q N 0.789 120.576 119.800 -0.023 0.000 2.435 396 Q HA -0.214 4.126 4.340 -0.000 0.000 0.312 396 Q C -0.285 175.718 176.000 0.005 0.000 1.333 396 Q CA 0.412 56.208 55.803 -0.011 0.000 0.883 396 Q CB -1.353 27.387 28.738 0.002 0.000 1.170 396 Q HN 0.442 nan 8.270 nan 0.000 0.443 397 M N -0.223 119.382 119.600 0.008 0.000 2.235 397 M HA 0.026 4.506 4.480 -0.000 0.000 0.351 397 M C 1.482 177.791 176.300 0.014 0.000 1.178 397 M CA 0.371 55.685 55.300 0.023 0.000 1.143 397 M CB 0.902 33.523 32.600 0.037 0.000 1.530 397 M HN 0.190 nan 8.290 nan 0.000 0.461 398 K N -1.119 119.292 120.400 0.018 0.000 2.202 398 K HA 0.199 4.518 4.320 -0.000 0.000 0.201 398 K C 0.907 177.518 176.600 0.017 0.000 1.051 398 K CA 0.537 56.831 56.287 0.013 0.000 0.977 398 K CB 0.267 32.771 32.500 0.007 0.000 0.792 398 K HN 0.637 nan 8.250 nan 0.000 0.469 399 S N 2.108 117.820 115.700 0.020 0.000 2.606 399 S HA 0.365 4.835 4.470 -0.000 0.000 0.156 399 S C -2.916 171.690 174.600 0.010 0.000 1.308 399 S CA -1.368 56.842 58.200 0.017 0.000 1.228 399 S CB 0.888 64.092 63.200 0.006 0.000 1.568 399 S HN 0.395 nan 8.310 nan 0.000 0.397 400 P HA 0.615 nan 4.420 nan 0.000 0.276 400 P C -1.028 176.271 177.300 -0.000 0.000 1.252 400 P CA -0.456 62.654 63.100 0.018 0.000 0.802 400 P CB 1.015 32.729 31.700 0.023 0.000 1.035 401 A N 1.514 124.332 122.820 -0.004 0.000 2.371 401 A HA 0.726 5.046 4.320 -0.000 0.000 0.311 401 A C -0.533 177.057 177.584 0.011 0.000 1.068 401 A CA -0.823 51.200 52.037 -0.023 0.000 0.744 401 A CB 0.669 19.635 19.000 -0.056 0.000 1.239 401 A HN 0.421 nan 8.150 nan 0.000 0.435 402 I N 1.306 121.892 120.570 0.027 0.000 2.441 402 I HA 0.552 4.722 4.170 -0.000 0.000 0.295 402 I C -0.143 175.992 176.117 0.030 0.000 0.994 402 I CA -0.269 61.046 61.300 0.025 0.000 1.144 402 I CB 2.310 40.318 38.000 0.013 0.000 1.314 402 I HN 0.535 nan 8.210 nan 0.000 0.445 403 T N 4.380 118.952 114.554 0.030 0.000 2.916 403 T HA 0.790 5.140 4.350 -0.000 0.000 0.298 403 T C -0.825 173.891 174.700 0.028 0.000 1.031 403 T CA -0.593 61.524 62.100 0.028 0.000 0.993 403 T CB 1.991 70.875 68.868 0.027 0.000 1.045 403 T HN 0.744 nan 8.240 nan 0.000 0.454 404 A N 1.643 124.476 122.820 0.022 0.000 2.556 404 A HA 0.769 5.089 4.320 -0.000 0.000 0.294 404 A C -0.294 177.299 177.584 0.014 0.000 1.091 404 A CA -0.835 51.212 52.037 0.017 0.000 0.704 404 A CB 1.352 20.359 19.000 0.011 0.000 1.300 404 A HN 0.622 nan 8.150 nan 0.000 0.406 405 T N 2.795 117.355 114.554 0.010 0.000 2.782 405 T HA 0.411 4.760 4.350 -0.000 0.000 0.298 405 T C -0.519 174.186 174.700 0.010 0.000 0.944 405 T CA 0.082 62.188 62.100 0.009 0.000 1.001 405 T CB -0.586 68.286 68.868 0.007 0.000 0.932 405 T HN 0.307 nan 8.240 nan 0.000 0.524 406 L N 4.121 125.352 121.223 0.012 0.000 2.265 406 L HA 0.434 4.774 4.340 -0.000 0.000 0.289 406 L C 1.025 177.902 176.870 0.013 0.000 1.033 406 L CA -0.018 54.831 54.840 0.014 0.000 0.814 406 L CB 0.209 42.278 42.059 0.017 0.000 1.203 406 L HN 0.749 nan 8.230 nan 0.000 0.423 407 E N 2.001 122.209 120.200 0.013 0.000 3.211 407 E HA -0.331 4.019 4.350 -0.000 0.000 0.393 407 E C 1.228 177.833 176.600 0.009 0.000 1.515 407 E CA 1.772 58.179 56.400 0.011 0.000 1.385 407 E CB -1.194 28.512 29.700 0.011 0.000 1.616 407 E HN 0.797 nan 8.360 nan 0.000 0.489 408 G N 0.684 109.489 108.800 0.009 0.000 2.654 408 G HA2 0.215 4.175 3.960 -0.000 0.000 0.215 408 G HA3 0.215 4.175 3.960 -0.000 0.000 0.215 408 G C 0.625 175.530 174.900 0.008 0.000 1.310 408 G CA 1.136 46.240 45.100 0.008 0.000 0.866 408 G HN 0.622 nan 8.290 nan 0.000 0.558 409 K N 0.435 120.840 120.400 0.009 0.000 2.230 409 K HA 0.298 4.617 4.320 -0.000 0.000 0.253 409 K C 0.038 176.644 176.600 0.010 0.000 1.008 409 K CA -0.216 56.077 56.287 0.009 0.000 0.910 409 K CB -0.342 32.163 32.500 0.009 0.000 0.994 409 K HN 0.446 nan 8.250 nan 0.000 0.495 410 N N 0.884 119.590 118.700 0.011 0.000 2.438 410 N HA 0.382 5.122 4.740 -0.000 0.000 0.267 410 N C 0.207 175.725 175.510 0.013 0.000 1.222 410 N CA 0.387 53.444 53.050 0.012 0.000 0.930 410 N CB 0.635 39.130 38.487 0.013 0.000 1.083 410 N HN 0.783 nan 8.380 nan 0.000 0.476 411 R N 0.982 121.491 120.500 0.015 0.000 2.407 411 R HA 0.521 4.861 4.340 -0.000 0.000 0.303 411 R C -0.042 176.269 176.300 0.019 0.000 0.981 411 R CA -0.729 55.381 56.100 0.016 0.000 0.905 411 R CB 0.184 30.494 30.300 0.017 0.000 1.099 411 R HN 0.510 nan 8.270 nan 0.000 0.459 412 T N 3.729 118.295 114.554 0.019 0.000 2.729 412 T HA 0.222 4.572 4.350 -0.000 0.000 0.296 412 T C 1.131 175.854 174.700 0.038 0.000 0.928 412 T CA -0.339 61.773 62.100 0.021 0.000 1.045 412 T CB 0.706 69.579 68.868 0.010 0.000 0.902 412 T HN 0.432 nan 8.240 nan 0.000 0.500 413 L N 3.123 124.376 121.223 0.050 0.000 2.049 413 L HA 0.263 4.602 4.340 -0.000 0.000 0.203 413 L C 0.176 177.142 176.870 0.160 0.000 1.074 413 L CA 1.430 56.315 54.840 0.075 0.000 0.749 413 L CB -0.401 41.690 42.059 0.055 0.000 0.907 413 L HN 0.698 nan 8.230 nan 0.000 0.439 414 Y N -1.387 118.902 120.300 -0.018 0.000 2.480 414 Y HA 0.556 5.106 4.550 -0.000 0.000 0.329 414 Y C -1.533 174.360 175.900 -0.012 0.000 1.127 414 Y CA -1.592 56.498 58.100 -0.017 0.000 1.037 414 Y CB 1.259 39.704 38.460 -0.025 0.000 1.320 414 Y HN -0.101 nan 8.280 nan 0.000 0.446 415 L N 5.191 126.062 121.223 -0.586 0.000 2.409 415 L HA 0.513 4.853 4.340 -0.000 0.000 0.262 415 L C -0.250 176.241 176.870 -0.632 0.000 0.992 415 L CA -0.216 54.352 54.840 -0.453 0.000 0.817 415 L CB 2.346 44.279 42.059 -0.209 0.000 1.350 415 L HN 0.856 nan 8.230 nan 0.000 0.411 416 Q N 0.381 119.951 119.800 -0.384 0.000 2.322 416 Q HA 0.038 4.377 4.340 -0.000 0.000 0.250 416 Q C 1.562 177.477 176.000 -0.141 0.000 0.853 416 Q CA 0.762 56.397 55.803 -0.280 0.000 0.951 416 Q CB 0.897 29.527 28.738 -0.178 0.000 1.114 416 Q HN 0.884 nan 8.270 nan 0.000 0.523 417 S N 0.605 116.240 115.700 -0.109 0.000 2.406 417 S HA -0.019 4.451 4.470 -0.000 0.000 0.228 417 S C 1.084 175.652 174.600 -0.054 0.000 1.020 417 S CA 0.330 58.493 58.200 -0.062 0.000 0.965 417 S CB -0.413 62.764 63.200 -0.038 0.000 0.798 417 S HN 0.166 nan 8.310 nan 0.000 0.488 418 V N -0.736 119.139 119.914 -0.064 0.000 2.334 418 V HA 0.843 4.963 4.120 -0.000 0.000 0.281 418 V C 1.386 177.451 176.094 -0.049 0.000 1.016 418 V CA -0.262 62.010 62.300 -0.047 0.000 0.832 418 V CB -0.201 31.600 31.823 -0.037 0.000 0.999 418 V HN 0.323 nan 8.190 nan 0.000 0.439 419 T N 2.156 116.689 114.554 -0.034 0.000 2.721 419 T HA -0.290 4.060 4.350 -0.000 0.000 0.268 419 T C 1.920 176.610 174.700 -0.016 0.000 1.038 419 T CA 2.805 64.892 62.100 -0.023 0.000 1.145 419 T CB -0.197 68.664 68.868 -0.011 0.000 0.858 419 T HN 0.959 nan 8.240 nan 0.000 0.459 420 S N 0.109 115.799 115.700 -0.016 0.000 2.348 420 S HA -0.046 4.423 4.470 -0.000 0.000 0.221 420 S C 2.171 176.764 174.600 -0.011 0.000 1.033 420 S CA 1.384 59.578 58.200 -0.010 0.000 1.010 420 S CB -0.421 62.773 63.200 -0.010 0.000 0.891 420 S HN 0.613 nan 8.310 nan 0.000 0.442 421 I N 1.344 121.898 120.570 -0.026 0.000 2.353 421 I HA -0.073 4.097 4.170 -0.000 0.000 0.248 421 I C 2.848 178.940 176.117 -0.042 0.000 1.119 421 I CA 1.146 62.427 61.300 -0.031 0.000 1.417 421 I CB -0.487 37.485 38.000 -0.046 0.000 1.078 421 I HN 0.414 nan 8.210 nan 0.000 0.421 422 E N 1.672 121.828 120.200 -0.073 0.000 2.058 422 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 422 E C 1.903 178.539 176.600 0.060 0.000 0.997 422 E CA 1.653 58.005 56.400 -0.079 0.000 0.801 422 E CB -0.001 29.644 29.700 -0.092 0.000 0.746 422 E HN 0.522 nan 8.360 nan 0.000 0.450 423 E N -0.335 119.889 120.200 0.040 0.000 2.051 423 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 423 E C 2.403 179.037 176.600 0.057 0.000 0.991 423 E CA 1.155 57.587 56.400 0.053 0.000 0.799 423 E CB -0.045 29.673 29.700 0.030 0.000 0.748 423 E HN 0.015 nan 8.360 nan 0.000 0.449 424 R N -0.141 120.384 120.500 0.042 0.000 2.091 424 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 424 R C 2.688 179.026 176.300 0.062 0.000 1.136 424 R CA 1.831 57.955 56.100 0.040 0.000 0.959 424 R CB -1.234 29.082 30.300 0.026 0.000 0.856 424 R HN 0.569 nan 8.270 nan 0.000 0.437 425 T N -2.456 112.160 114.554 0.103 0.000 3.044 425 T HA 0.136 4.486 4.350 -0.000 0.000 0.250 425 T C 1.862 176.684 174.700 0.203 0.000 1.081 425 T CA 0.374 62.568 62.100 0.156 0.000 1.040 425 T CB -0.145 68.843 68.868 0.201 0.000 0.962 425 T HN 0.288 nan 8.240 nan 0.000 0.506 426 R N 1.946 122.575 120.500 0.214 0.000 2.119 426 R HA -0.093 4.247 4.340 -0.000 0.000 0.246 426 R C -0.699 175.577 176.300 -0.039 0.000 1.146 426 R CA 1.992 58.160 56.100 0.114 0.000 0.962 426 R CB -1.279 29.095 30.300 0.123 0.000 0.863 426 R HN 0.356 nan 8.270 nan 0.000 0.442 427 P HA -0.168 nan 4.420 nan 0.000 0.216 427 P C 0.282 177.549 177.300 -0.055 0.000 1.157 427 P CA 1.510 64.594 63.100 -0.028 0.000 0.880 427 P CB -0.411 31.286 31.700 -0.005 0.000 0.791 428 N N -0.350 118.325 118.700 -0.041 0.000 2.493 428 N HA -0.127 4.612 4.740 -0.000 0.000 0.191 428 N C 1.408 176.849 175.510 -0.115 0.000 1.041 428 N CA 0.619 53.638 53.050 -0.052 0.000 0.904 428 N CB -1.073 37.410 38.487 -0.006 0.000 0.948 428 N HN 0.273 nan 8.380 nan 0.000 0.446 429 L N -0.456 120.651 121.223 -0.194 0.000 2.749 429 L HA 0.012 4.351 4.340 -0.000 0.000 0.245 429 L C -0.105 176.678 176.870 -0.145 0.000 1.156 429 L CA 0.353 55.051 54.840 -0.237 0.000 0.890 429 L CB -0.306 41.551 42.059 -0.337 0.000 1.036 429 L HN -0.055 nan 8.230 nan 0.000 0.441 430 S N -0.409 115.229 115.700 -0.103 0.000 2.557 430 S HA 0.809 5.279 4.470 -0.000 0.000 0.291 430 S C -0.051 174.513 174.600 -0.059 0.000 1.116 430 S CA -0.647 57.509 58.200 -0.074 0.000 0.992 430 S CB 2.105 65.270 63.200 -0.058 0.000 1.028 430 S HN 0.257 nan 8.310 nan 0.000 0.484 434 K N 1.249 121.624 120.400 -0.041 0.000 2.097 434 K HA 0.055 4.375 4.320 -0.000 0.000 0.205 434 K C 1.915 178.504 176.600 -0.017 0.000 1.050 434 K CA 1.944 58.195 56.287 -0.060 0.000 0.938 434 K CB -1.237 31.148 32.500 -0.192 0.000 0.718 434 K HN 0.459 nan 8.250 nan 0.000 0.442 435 E N 0.979 121.162 120.200 -0.028 0.000 2.153 435 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 435 E C 2.025 178.624 176.600 -0.001 0.000 0.988 435 E CA 1.318 57.708 56.400 -0.018 0.000 0.811 435 E CB -0.668 29.017 29.700 -0.026 0.000 0.746 435 E HN 0.572 nan 8.360 nan 0.000 0.466 436 L N -1.375 119.854 121.223 0.009 0.000 2.376 436 L HA 0.226 4.566 4.340 -0.000 0.000 0.219 436 L C 2.147 179.035 176.870 0.030 0.000 1.133 436 L CA 0.751 55.602 54.840 0.017 0.000 0.816 436 L CB 0.284 42.353 42.059 0.017 0.000 0.933 436 L HN 0.590 nan 8.230 nan 0.000 0.449 437 G N -0.605 108.221 108.800 0.044 0.000 2.159 437 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.227 437 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.227 437 G C -0.133 174.811 174.900 0.074 0.000 0.986 437 G CA -0.537 44.593 45.100 0.049 0.000 0.651 437 G HN 0.047 nan 8.290 nan 0.000 0.523 438 L N 0.725 122.016 121.223 0.113 0.000 2.395 438 L HA 0.703 5.043 4.340 -0.000 0.000 0.269 438 L C 0.726 177.739 176.870 0.240 0.000 1.133 438 L CA -0.531 54.388 54.840 0.132 0.000 0.812 438 L CB 1.675 43.814 42.059 0.133 0.000 1.125 438 L HN 0.025 nan 8.230 nan 0.000 0.452 439 V N 1.233 121.211 119.914 0.107 0.000 2.864 439 V HA 0.266 4.386 4.120 -0.000 0.000 0.314 439 V C -0.446 175.538 176.094 -0.183 0.000 1.073 439 V CA -1.187 61.196 62.300 0.138 0.000 0.956 439 V CB 2.076 33.942 31.823 0.072 0.000 1.023 439 V HN 0.789 nan 8.190 nan 0.000 0.435 440 D N 2.033 122.336 120.400 -0.162 0.000 2.525 440 D HA 0.352 4.992 4.640 -0.000 0.000 0.235 440 D C 1.198 177.345 176.300 -0.255 0.000 1.137 440 D CA 2.045 55.822 54.000 -0.373 0.000 0.868 440 D CB 0.686 41.495 40.800 0.015 0.000 1.180 440 D HN 1.025 nan 8.370 nan 0.000 0.465 441 G N 2.186 110.766 108.800 -0.368 0.000 2.217 441 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.246 441 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.246 441 G C 0.401 175.152 174.900 -0.250 0.000 0.990 441 G CA 0.378 45.297 45.100 -0.302 0.000 0.627 441 G HN 0.747 nan 8.290 nan 0.000 0.522 442 Q N 0.913 120.569 119.800 -0.240 0.000 2.395 442 Q HA 0.439 4.779 4.340 -0.000 0.000 0.271 442 Q C 0.176 176.102 176.000 -0.122 0.000 1.026 442 Q CA 0.181 55.895 55.803 -0.150 0.000 0.900 442 Q CB 0.317 28.979 28.738 -0.127 0.000 1.266 442 Q HN 0.490 nan 8.270 nan 0.000 0.430 443 E N 3.028 123.192 120.200 -0.060 0.000 2.174 443 E HA 0.288 4.638 4.350 -0.000 0.000 0.282 443 E C -1.372 175.241 176.600 0.021 0.000 0.992 443 E CA -0.498 55.895 56.400 -0.013 0.000 0.803 443 E CB 0.623 30.318 29.700 -0.008 0.000 1.090 443 E HN 0.459 nan 8.360 nan 0.000 0.396 444 L N 2.990 124.259 121.223 0.076 0.000 2.317 444 L HA 0.537 4.877 4.340 -0.000 0.000 0.281 444 L C -0.197 176.764 176.870 0.152 0.000 1.024 444 L CA -0.635 54.259 54.840 0.090 0.000 0.810 444 L CB 1.843 43.941 42.059 0.065 0.000 1.240 444 L HN 0.502 nan 8.230 nan 0.000 0.427 445 A N 3.381 126.264 122.820 0.104 0.000 2.252 445 A HA 0.715 5.035 4.320 -0.000 0.000 0.309 445 A C -0.528 177.125 177.584 0.116 0.000 1.285 445 A CA -0.451 51.652 52.037 0.110 0.000 0.900 445 A CB 0.554 19.592 19.000 0.063 0.000 1.157 445 A HN 0.437 nan 8.150 nan 0.000 0.536 446 V N 2.312 122.333 119.914 0.177 0.000 2.448 446 V HA 0.699 4.818 4.120 -0.000 0.000 0.295 446 V C 0.435 176.600 176.094 0.118 0.000 1.025 446 V CA -0.175 62.214 62.300 0.149 0.000 0.859 446 V CB 1.335 33.286 31.823 0.214 0.000 0.988 446 V HN 1.142 nan 8.190 nan 0.000 0.431 447 A N 3.687 126.549 122.820 0.070 0.000 2.355 447 A HA 0.916 5.236 4.320 -0.000 0.000 0.324 447 A C -1.022 176.590 177.584 0.047 0.000 1.117 447 A CA -0.442 51.627 52.037 0.052 0.000 0.785 447 A CB 1.789 20.810 19.000 0.035 0.000 1.254 447 A HN 0.835 nan 8.150 nan 0.000 0.453 448 D N -0.425 120.006 120.400 0.051 0.000 2.663 448 D HA 0.328 4.968 4.640 -0.000 0.000 0.233 448 D C 0.752 177.101 176.300 0.080 0.000 1.240 448 D CA 0.191 54.223 54.000 0.054 0.000 0.774 448 D CB 1.616 42.451 40.800 0.058 0.000 1.443 448 D HN 0.659 nan 8.370 nan 0.000 0.441 449 V N 0.202 120.168 119.914 0.086 0.000 2.720 449 V HA -0.090 4.030 4.120 -0.000 0.000 0.256 449 V C 1.862 178.085 176.094 0.216 0.000 1.082 449 V CA 2.212 64.595 62.300 0.138 0.000 1.101 449 V CB -1.777 30.095 31.823 0.082 0.000 0.693 449 V HN 0.763 nan 8.190 nan 0.000 0.479 450 T N -2.546 112.095 114.554 0.145 0.000 2.977 450 T HA 0.000 4.350 4.350 -0.000 0.000 0.271 450 T C 0.878 175.672 174.700 0.155 0.000 1.105 450 T CA 1.422 63.612 62.100 0.150 0.000 1.116 450 T CB -0.488 68.427 68.868 0.078 0.000 0.878 450 T HN 0.774 nan 8.240 nan 0.000 0.509 451 T N 0.959 115.559 114.554 0.076 0.000 3.012 451 T HA 0.420 4.769 4.350 -0.000 0.000 0.330 451 T C -2.710 171.822 174.700 -0.280 0.000 1.321 451 T CA -1.355 60.630 62.100 -0.191 0.000 1.067 451 T CB 2.228 71.018 68.868 -0.129 0.000 1.235 451 T HN -0.207 nan 8.240 nan 0.000 0.479 452 P HA 0.091 nan 4.420 nan 0.000 0.241 452 P C 0.225 177.400 177.300 -0.209 0.000 1.191 452 P CA 0.226 63.091 63.100 -0.392 0.000 0.771 452 P CB 0.344 31.626 31.700 -0.696 0.000 0.929 453 Q N 0.029 119.712 119.800 -0.196 0.000 2.299 453 Q HA 0.230 4.570 4.340 -0.000 0.000 0.246 453 Q C -0.130 175.844 176.000 -0.043 0.000 0.935 453 Q CA 0.128 55.867 55.803 -0.106 0.000 0.887 453 Q CB 0.663 29.340 28.738 -0.102 0.000 1.223 453 Q HN -0.044 nan 8.270 nan 0.000 0.439 454 T N 2.047 116.591 114.554 -0.017 0.000 2.729 454 T HA 0.249 4.599 4.350 -0.000 0.000 0.296 454 T C -0.254 174.457 174.700 0.018 0.000 0.928 454 T CA -0.507 61.603 62.100 0.017 0.000 1.045 454 T CB 0.336 69.217 68.868 0.022 0.000 0.902 454 T HN 0.244 nan 8.240 nan 0.000 0.500 455 V N 5.596 125.545 119.914 0.058 0.000 2.498 455 V HA 0.370 4.490 4.120 -0.000 0.000 0.279 455 V C 0.218 176.343 176.094 0.051 0.000 1.048 455 V CA -0.800 61.517 62.300 0.028 0.000 0.967 455 V CB 0.698 32.585 31.823 0.107 0.000 0.988 455 V HN 0.719 nan 8.190 nan 0.000 0.473 456 L N 5.202 126.356 121.223 -0.114 0.000 2.296 456 L HA 0.589 4.929 4.340 -0.000 0.000 0.286 456 L C -0.928 175.804 176.870 -0.229 0.000 1.023 456 L CA -0.103 54.703 54.840 -0.057 0.000 0.812 456 L CB 1.226 43.257 42.059 -0.046 0.000 1.223 456 L HN 0.482 nan 8.230 nan 0.000 0.421 457 F N 2.212 122.177 119.950 0.025 0.000 2.482 457 F HA 0.431 4.957 4.527 -0.000 0.000 0.331 457 F C 0.238 176.035 175.800 -0.004 0.000 1.115 457 F CA -0.741 57.282 58.000 0.039 0.000 0.955 457 F CB 1.815 40.861 39.000 0.076 0.000 1.136 457 F HN 0.284 nan 8.300 nan 0.000 0.452 458 K N 3.613 124.086 120.400 0.122 0.000 2.234 458 K HA 0.489 4.809 4.320 -0.000 0.000 0.277 458 K C -1.108 175.416 176.600 -0.127 0.000 1.038 458 K CA -0.838 55.428 56.287 -0.035 0.000 0.888 458 K CB 1.016 33.482 32.500 -0.058 0.000 1.091 458 K HN 0.600 nan 8.250 nan 0.000 0.467 459 L N 5.019 126.095 121.223 -0.244 0.000 2.349 459 L HA 0.230 4.570 4.340 -0.000 0.000 0.275 459 L C -1.002 175.530 176.870 -0.563 0.000 1.115 459 L CA 0.279 54.955 54.840 -0.273 0.000 0.820 459 L CB 0.623 42.509 42.059 -0.288 0.000 1.135 459 L HN 0.644 nan 8.230 nan 0.000 0.445 460 H N 5.675 124.660 119.070 -0.141 0.000 2.970 460 H HA 0.285 4.841 4.556 -0.000 0.000 0.315 460 H C -0.829 174.498 175.328 -0.003 0.000 0.992 460 H CA -0.563 55.418 56.048 -0.110 0.000 1.363 460 H CB 0.702 30.435 29.762 -0.047 0.000 1.532 460 H HN 0.400 nan 8.280 nan 0.000 0.514 461 F N 2.033 122.060 119.950 0.127 0.000 2.450 461 F HA 0.219 4.746 4.527 -0.000 0.000 0.339 461 F C 1.541 177.385 175.800 0.074 0.000 1.146 461 F CA -0.188 57.868 58.000 0.093 0.000 1.267 461 F CB 0.979 40.016 39.000 0.062 0.000 1.178 461 F HN 0.410 nan 8.300 nan 0.000 0.585 462 T N 0.000 114.715 114.554 0.269 0.000 3.816 462 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 462 T CA 0.000 62.178 62.100 0.130 0.000 1.349 462 T CB 0.000 68.920 68.868 0.086 0.000 0.612 462 T HN 0.000 nan 8.240 nan 0.000 0.658