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 3eoo_1_A DATA FIRST_RESID 6 DATA SEQUENCE LISAGAKFRA AVAAEQPLQV VGAITAYAAK MAEAVGFKAV YLSGGGVAAN DATA SEQUENCE SLGIPDLGIS TMDDVLVDAN RITNATNLPL LVDIDTGWGG AFNIARTIRS DATA SEQUENCE FIKAGVGAVH LEDQVGQKRC GHRPGKECVP AGEMVDRIKA AVDARTDETF DATA SEQUENCE VIMARTDAAA AEGIDAAIER AIAYVEAGAD MIFPEAMKTL DDYRRFKEAV DATA SEQUENCE KVPILANLTE FGSTPLFTLD ELKGANVDIA LYCCGAYRAM NKAALNFYET DATA SEQUENCE VRRDGTQKAA VPTMQTRAQL YDYLGYYAYE EKLDQLFNQG 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.891 176.870 0.034 0.000 1.165 6 L CA 0.000 54.856 54.840 0.027 0.000 0.813 6 L CB 0.000 42.074 42.059 0.025 0.000 0.961 7 I N 2.568 123.162 120.570 0.041 0.000 2.499 7 I HA 0.409 4.580 4.170 0.001 0.000 0.296 7 I C 1.006 177.161 176.117 0.063 0.000 0.992 7 I CA -0.229 61.101 61.300 0.050 0.000 1.297 7 I CB 1.751 39.781 38.000 0.049 0.000 1.410 7 I HN 0.826 nan 8.210 nan 0.000 0.507 8 S N 4.069 119.812 115.700 0.073 0.000 2.572 8 S HA 0.267 4.737 4.470 0.001 0.000 0.279 8 S C 1.239 175.906 174.600 0.112 0.000 1.341 8 S CA 0.020 58.276 58.200 0.092 0.000 1.043 8 S CB 1.337 64.598 63.200 0.101 0.000 0.887 8 S HN 0.747 nan 8.310 nan 0.000 0.516 9 A N 3.807 126.704 122.820 0.128 0.000 1.917 9 A HA 0.057 4.377 4.320 0.001 0.000 0.219 9 A C 2.224 179.895 177.584 0.145 0.000 1.182 9 A CA 1.954 54.074 52.037 0.138 0.000 0.633 9 A CB -1.848 17.241 19.000 0.147 0.000 0.819 9 A HN 1.230 nan 8.150 nan 0.000 0.448 10 G N -0.610 108.281 108.800 0.152 0.000 2.446 10 G HA2 -0.023 3.937 3.960 0.001 0.000 0.217 10 G HA3 -0.023 3.937 3.960 0.001 0.000 0.217 10 G C 1.770 176.763 174.900 0.155 0.000 1.168 10 G CA 1.554 46.725 45.100 0.119 0.000 0.771 10 G HN 0.855 nan 8.290 nan 0.000 0.551 11 A N 0.743 123.643 122.820 0.134 0.000 1.902 11 A HA -0.011 4.310 4.320 0.001 0.000 0.217 11 A C 2.298 179.949 177.584 0.111 0.000 1.181 11 A CA 1.997 54.101 52.037 0.112 0.000 0.623 11 A CB -0.368 18.685 19.000 0.088 0.000 0.818 11 A HN 0.388 nan 8.150 nan 0.000 0.443 12 K N -1.727 118.746 120.400 0.121 0.000 2.103 12 K HA -0.132 4.189 4.320 0.001 0.000 0.207 12 K C 1.740 178.418 176.600 0.130 0.000 1.048 12 K CA 1.638 57.991 56.287 0.111 0.000 0.930 12 K CB -0.293 32.276 32.500 0.115 0.000 0.716 12 K HN 0.553 nan 8.250 nan 0.000 0.444 13 F N 1.707 121.670 119.950 0.021 0.000 2.163 13 F HA -0.081 4.447 4.527 0.001 0.000 0.297 13 F C 2.155 177.959 175.800 0.006 0.000 1.094 13 F CA 1.104 59.109 58.000 0.009 0.000 1.290 13 F CB 0.138 39.130 39.000 -0.013 0.000 1.017 13 F HN -0.154 nan 8.300 nan 0.000 0.483 14 R N 0.272 120.884 120.500 0.187 0.000 2.081 14 R HA -0.153 4.188 4.340 0.001 0.000 0.235 14 R C 2.412 178.705 176.300 -0.013 0.000 1.131 14 R CA 1.253 57.401 56.100 0.080 0.000 0.960 14 R CB -0.952 29.413 30.300 0.109 0.000 0.856 14 R HN 0.388 nan 8.270 nan 0.000 0.436 15 A N 1.376 124.196 122.820 0.002 0.000 1.902 15 A HA -0.098 4.223 4.320 0.001 0.000 0.217 15 A C 2.383 179.932 177.584 -0.059 0.000 1.181 15 A CA 1.656 53.684 52.037 -0.015 0.000 0.623 15 A CB -0.545 18.460 19.000 0.009 0.000 0.818 15 A HN 0.396 nan 8.150 nan 0.000 0.443 16 A N -0.625 122.131 122.820 -0.107 0.000 1.969 16 A HA 0.055 4.376 4.320 0.001 0.000 0.218 16 A C 2.151 179.616 177.584 -0.197 0.000 1.169 16 A CA 1.685 53.630 52.037 -0.153 0.000 0.635 16 A CB -0.695 18.186 19.000 -0.199 0.000 0.810 16 A HN 0.397 nan 8.150 nan 0.000 0.445 17 V N -0.365 119.394 119.914 -0.259 0.000 2.453 17 V HA -0.144 3.977 4.120 0.001 0.000 0.247 17 V C 2.943 178.971 176.094 -0.110 0.000 1.048 17 V CA 1.571 63.743 62.300 -0.213 0.000 1.049 17 V CB -1.094 30.597 31.823 -0.220 0.000 0.672 17 V HN 0.571 nan 8.190 nan 0.000 0.457 18 A N 0.025 122.798 122.820 -0.079 0.000 2.015 18 A HA 0.026 4.346 4.320 0.001 0.000 0.219 18 A C 2.262 179.820 177.584 -0.043 0.000 1.163 18 A CA 1.855 53.865 52.037 -0.045 0.000 0.646 18 A CB -0.421 18.563 19.000 -0.026 0.000 0.806 18 A HN 0.560 nan 8.150 nan 0.000 0.448 19 A N -1.368 121.420 122.820 -0.052 0.000 2.147 19 A HA 0.291 4.612 4.320 0.001 0.000 0.211 19 A C 0.779 178.339 177.584 -0.041 0.000 1.160 19 A CA 0.774 52.787 52.037 -0.040 0.000 0.781 19 A CB 0.041 19.019 19.000 -0.037 0.000 0.842 19 A HN 0.506 nan 8.150 nan 0.000 0.475 20 E N 0.985 121.153 120.200 -0.053 0.000 2.302 20 E HA 0.332 4.682 4.350 0.001 0.000 0.263 20 E C -1.488 175.083 176.600 -0.050 0.000 0.897 20 E CA -0.534 55.839 56.400 -0.045 0.000 0.809 20 E CB 0.635 30.311 29.700 -0.040 0.000 1.270 20 E HN 0.475 nan 8.360 nan 0.000 0.410 21 Q N 3.840 123.615 119.800 -0.040 0.000 2.290 21 Q HA 0.511 4.852 4.340 0.001 0.000 0.269 21 Q C -2.654 173.323 176.000 -0.038 0.000 1.016 21 Q CA -2.362 53.415 55.803 -0.044 0.000 0.754 21 Q CB 1.962 30.675 28.738 -0.042 0.000 1.247 21 Q HN 0.273 nan 8.270 nan 0.000 0.451 22 P HA 0.099 nan 4.420 nan 0.000 0.274 22 P C -0.899 176.378 177.300 -0.038 0.000 1.231 22 P CA -0.705 62.361 63.100 -0.057 0.000 0.790 22 P CB 0.498 32.153 31.700 -0.076 0.000 0.951 23 L N 2.183 123.371 121.223 -0.059 0.000 2.281 23 L HA 0.194 4.535 4.340 0.001 0.000 0.285 23 L C -0.090 176.786 176.870 0.011 0.000 1.074 23 L CA 0.219 55.032 54.840 -0.045 0.000 0.817 23 L CB 0.005 41.988 42.059 -0.127 0.000 1.168 23 L HN 0.275 nan 8.230 nan 0.000 0.434 24 Q N 4.050 123.918 119.800 0.113 0.000 2.296 24 Q HA 0.443 4.784 4.340 0.001 0.000 0.262 24 Q C -0.952 175.153 176.000 0.174 0.000 0.981 24 Q CA -0.207 55.744 55.803 0.247 0.000 0.905 24 Q CB 1.969 30.933 28.738 0.377 0.000 1.186 24 Q HN 0.626 nan 8.270 nan 0.000 0.399 25 V N 3.662 123.644 119.914 0.112 0.000 2.569 25 V HA 0.566 4.686 4.120 0.001 0.000 0.301 25 V C -0.861 175.213 176.094 -0.033 0.000 1.044 25 V CA -0.702 61.609 62.300 0.018 0.000 0.874 25 V CB 1.785 33.642 31.823 0.058 0.000 1.002 25 V HN 0.557 nan 8.190 nan 0.000 0.424 26 V N 3.989 123.778 119.914 -0.207 0.000 2.547 26 V HA 0.963 5.083 4.120 0.001 0.000 0.299 26 V C 0.741 176.824 176.094 -0.019 0.000 1.040 26 V CA -0.010 62.153 62.300 -0.228 0.000 0.913 26 V CB 1.200 32.617 31.823 -0.677 0.000 0.992 26 V HN 1.135 nan 8.190 nan 0.000 0.449 27 G N 2.138 110.998 108.800 0.100 0.000 2.467 27 G HA2 0.629 4.590 3.960 0.001 0.000 0.257 27 G HA3 0.629 4.590 3.960 0.001 0.000 0.257 27 G C -0.222 174.757 174.900 0.133 0.000 1.227 27 G CA -0.009 45.242 45.100 0.250 0.000 0.835 27 G HN 1.667 nan 8.290 nan 0.000 0.556 28 A N 1.636 124.527 122.820 0.118 0.000 2.374 28 A HA 0.562 4.883 4.320 0.001 0.000 0.305 28 A C 0.673 178.298 177.584 0.068 0.000 1.053 28 A CA -0.683 51.400 52.037 0.077 0.000 0.726 28 A CB 1.132 20.152 19.000 0.034 0.000 1.229 28 A HN 1.183 nan 8.150 nan 0.000 0.431 29 I N 0.205 120.818 120.570 0.072 0.000 3.603 29 I HA 0.233 4.404 4.170 0.001 0.000 0.297 29 I C 0.648 176.778 176.117 0.021 0.000 1.269 29 I CA 0.771 62.080 61.300 0.016 0.000 1.361 29 I CB 0.095 38.066 38.000 -0.047 0.000 1.063 29 I HN 0.514 nan 8.210 nan 0.000 0.448 30 T N -3.275 111.309 114.554 0.050 0.000 2.883 30 T HA 0.736 5.086 4.350 0.001 0.000 0.296 30 T C 0.915 175.659 174.700 0.074 0.000 1.117 30 T CA -0.277 61.861 62.100 0.064 0.000 1.006 30 T CB 1.972 70.898 68.868 0.096 0.000 1.191 30 T HN 0.017 nan 8.240 nan 0.000 0.508 31 A N 0.702 123.573 122.820 0.085 0.000 1.873 31 A HA -0.098 4.223 4.320 0.001 0.000 0.218 31 A C 1.977 179.638 177.584 0.129 0.000 1.193 31 A CA 2.077 54.172 52.037 0.096 0.000 0.629 31 A CB -1.591 17.467 19.000 0.096 0.000 0.826 31 A HN 0.979 nan 8.150 nan 0.000 0.447 32 Y N 0.614 120.934 120.300 0.034 0.000 2.181 32 Y HA -0.092 4.458 4.550 0.001 0.000 0.288 32 Y C 2.687 178.599 175.900 0.021 0.000 1.146 32 Y CA 1.057 59.179 58.100 0.037 0.000 1.164 32 Y CB -0.721 37.761 38.460 0.036 0.000 0.982 32 Y HN 0.322 nan 8.280 nan 0.000 0.515 33 A N 0.409 123.205 122.820 -0.039 0.000 1.908 33 A HA -0.170 4.150 4.320 0.001 0.000 0.218 33 A C 2.469 179.967 177.584 -0.143 0.000 1.181 33 A CA 2.151 54.109 52.037 -0.131 0.000 0.627 33 A CB -1.499 17.498 19.000 -0.005 0.000 0.818 33 A HN 0.593 nan 8.150 nan 0.000 0.445 34 A N -0.312 122.474 122.820 -0.057 0.000 1.902 34 A HA -0.154 4.167 4.320 0.001 0.000 0.217 34 A C 2.103 179.662 177.584 -0.042 0.000 1.181 34 A CA 1.731 53.754 52.037 -0.023 0.000 0.623 34 A CB -0.443 18.571 19.000 0.024 0.000 0.818 34 A HN 0.536 nan 8.150 nan 0.000 0.443 35 K N -0.940 119.418 120.400 -0.070 0.000 2.074 35 K HA -0.175 4.145 4.320 0.001 0.000 0.209 35 K C 2.113 178.633 176.600 -0.134 0.000 1.048 35 K CA 1.899 58.152 56.287 -0.057 0.000 0.926 35 K CB -0.337 32.153 32.500 -0.015 0.000 0.713 35 K HN 0.527 nan 8.250 nan 0.000 0.444 36 M N 0.163 119.541 119.600 -0.371 0.000 2.086 36 M HA -0.158 4.323 4.480 0.001 0.000 0.261 36 M C 2.441 178.640 176.300 -0.168 0.000 1.067 36 M CA 1.585 56.610 55.300 -0.457 0.000 1.116 36 M CB -0.372 31.828 32.600 -0.667 0.000 1.348 36 M HN 0.213 nan 8.290 nan 0.000 0.407 37 A N 0.067 122.846 122.820 -0.069 0.000 1.948 37 A HA -0.263 4.057 4.320 0.001 0.000 0.220 37 A C 1.962 179.675 177.584 0.216 0.000 1.177 37 A CA 2.236 54.355 52.037 0.136 0.000 0.636 37 A CB -0.885 18.141 19.000 0.043 0.000 0.815 37 A HN 0.617 nan 8.150 nan 0.000 0.449 38 E N -0.289 119.975 120.200 0.105 0.000 2.072 38 E HA -0.079 4.271 4.350 0.001 0.000 0.191 38 E C 2.150 178.803 176.600 0.088 0.000 0.985 38 E CA 0.985 57.450 56.400 0.107 0.000 0.801 38 E CB -0.293 29.458 29.700 0.085 0.000 0.750 38 E HN 0.528 nan 8.360 nan 0.000 0.452 39 A N 0.589 123.465 122.820 0.093 0.000 1.940 39 A HA -0.151 4.169 4.320 0.001 0.000 0.219 39 A C 2.334 179.970 177.584 0.087 0.000 1.176 39 A CA 1.549 53.670 52.037 0.141 0.000 0.631 39 A CB -0.618 18.568 19.000 0.311 0.000 0.814 39 A HN 0.245 nan 8.150 nan 0.000 0.446 40 V N -1.213 118.723 119.914 0.036 0.000 2.970 40 V HA 0.166 4.286 4.120 0.001 0.000 0.260 40 V C 1.898 177.870 176.094 -0.203 0.000 1.100 40 V CA 1.428 63.693 62.300 -0.057 0.000 1.122 40 V CB -0.738 31.057 31.823 -0.046 0.000 0.721 40 V HN 1.143 nan 8.190 nan 0.000 0.483 41 G N -1.146 107.565 108.800 -0.149 0.000 2.192 41 G HA2 -0.203 3.757 3.960 0.001 0.000 0.193 41 G HA3 -0.203 3.757 3.960 0.001 0.000 0.193 41 G C -0.044 174.736 174.900 -0.201 0.000 0.999 41 G CA -0.430 44.562 45.100 -0.180 0.000 0.659 41 G HN 0.322 nan 8.290 nan 0.000 0.503 42 F N 1.238 121.175 119.950 -0.021 0.000 2.545 42 F HA 0.385 4.912 4.527 0.001 0.000 0.348 42 F C 1.853 177.650 175.800 -0.005 0.000 1.163 42 F CA 0.548 58.537 58.000 -0.019 0.000 1.331 42 F CB 0.674 39.663 39.000 -0.018 0.000 1.138 42 F HN -0.106 nan 8.300 nan 0.000 0.602 43 K N 1.240 121.759 120.400 0.200 0.000 2.354 43 K HA 0.486 4.807 4.320 0.001 0.000 0.194 43 K C -0.072 176.587 176.600 0.099 0.000 1.038 43 K CA 0.358 56.704 56.287 0.098 0.000 1.052 43 K CB 0.502 33.020 32.500 0.030 0.000 0.861 43 K HN 0.586 nan 8.250 nan 0.000 0.535 44 A N 0.939 123.840 122.820 0.135 0.000 2.604 44 A HA 0.543 4.863 4.320 0.001 0.000 0.295 44 A C -0.889 176.776 177.584 0.134 0.000 1.067 44 A CA -0.787 51.340 52.037 0.150 0.000 0.683 44 A CB 1.369 20.457 19.000 0.147 0.000 1.281 44 A HN -0.068 nan 8.150 nan 0.000 0.407 45 V N -1.265 118.744 119.914 0.158 0.000 3.074 45 V HA 0.906 5.027 4.120 0.001 0.000 0.314 45 V C -0.790 175.429 176.094 0.209 0.000 1.117 45 V CA -0.942 61.433 62.300 0.125 0.000 1.014 45 V CB 1.586 33.457 31.823 0.081 0.000 1.057 45 V HN 1.401 nan 8.190 nan 0.000 0.438 46 Y N 1.710 122.027 120.300 0.029 0.000 2.442 46 Y HA 0.783 5.334 4.550 0.001 0.000 0.344 46 Y C -1.337 174.587 175.900 0.040 0.000 0.976 46 Y CA -1.248 56.874 58.100 0.038 0.000 1.040 46 Y CB 2.137 40.622 38.460 0.041 0.000 1.228 46 Y HN 0.827 nan 8.280 nan 0.000 0.451 47 L N 5.695 126.566 121.223 -0.586 0.000 2.276 47 L HA 0.499 4.839 4.340 0.001 0.000 0.286 47 L C -0.418 175.946 176.870 -0.845 0.000 1.024 47 L CA -0.077 54.470 54.840 -0.488 0.000 0.826 47 L CB 1.045 42.960 42.059 -0.239 0.000 1.211 47 L HN 0.650 nan 8.230 nan 0.000 0.422 48 S N 2.920 118.331 115.700 -0.481 0.000 2.523 48 S HA 0.424 4.894 4.470 0.001 0.000 0.275 48 S C 1.398 175.961 174.600 -0.062 0.000 1.281 48 S CA 0.039 58.139 58.200 -0.166 0.000 1.050 48 S CB 1.221 64.587 63.200 0.278 0.000 0.937 48 S HN 0.887 nan 8.310 nan 0.000 0.492 49 G N 4.030 112.827 108.800 -0.006 0.000 2.421 49 G HA2 -0.078 3.882 3.960 0.001 0.000 0.216 49 G HA3 -0.078 3.882 3.960 0.001 0.000 0.216 49 G C 1.377 176.314 174.900 0.063 0.000 1.171 49 G CA 0.663 45.784 45.100 0.035 0.000 0.775 49 G HN 0.944 nan 8.290 nan 0.000 0.543 50 G N 0.636 109.494 108.800 0.097 0.000 2.448 50 G HA2 0.098 4.058 3.960 0.001 0.000 0.219 50 G HA3 0.098 4.058 3.960 0.001 0.000 0.219 50 G C 1.706 176.624 174.900 0.030 0.000 1.127 50 G CA 1.320 46.476 45.100 0.092 0.000 0.766 50 G HN 0.601 nan 8.290 nan 0.000 0.552 51 G N 0.624 109.420 108.800 -0.006 0.000 2.418 51 G HA2 -0.153 3.807 3.960 0.001 0.000 0.217 51 G HA3 -0.153 3.807 3.960 0.001 0.000 0.217 51 G C 1.767 176.541 174.900 -0.210 0.000 1.158 51 G CA 1.227 46.184 45.100 -0.239 0.000 0.771 51 G HN 0.307 nan 8.290 nan 0.000 0.545 52 V N 1.592 121.453 119.914 -0.088 0.000 2.295 52 V HA -0.135 3.985 4.120 0.001 0.000 0.246 52 V C 3.314 179.386 176.094 -0.036 0.000 1.049 52 V CA 2.079 64.349 62.300 -0.051 0.000 1.024 52 V CB -0.964 30.860 31.823 0.001 0.000 0.648 52 V HN 0.478 nan 8.190 nan 0.000 0.447 53 A N -0.041 122.773 122.820 -0.009 0.000 1.873 53 A HA -0.060 4.260 4.320 0.001 0.000 0.215 53 A C 2.403 179.982 177.584 -0.008 0.000 1.186 53 A CA 2.151 54.194 52.037 0.010 0.000 0.616 53 A CB -0.803 18.222 19.000 0.041 0.000 0.823 53 A HN 0.557 nan 8.150 nan 0.000 0.442 54 A N -0.167 122.635 122.820 -0.030 0.000 1.872 54 A HA -0.117 4.204 4.320 0.001 0.000 0.214 54 A C 2.030 179.588 177.584 -0.044 0.000 1.187 54 A CA 1.536 53.560 52.037 -0.021 0.000 0.614 54 A CB -0.487 18.514 19.000 0.000 0.000 0.826 54 A HN 0.569 nan 8.150 nan 0.000 0.442 55 N N -0.208 118.423 118.700 -0.115 0.000 2.197 55 N HA -0.045 4.696 4.740 0.001 0.000 0.184 55 N C 1.989 177.471 175.510 -0.046 0.000 1.030 55 N CA 1.536 54.528 53.050 -0.096 0.000 0.851 55 N CB -0.265 38.100 38.487 -0.202 0.000 1.003 55 N HN 0.378 nan 8.380 nan 0.000 0.430 56 S N 1.091 116.761 115.700 -0.050 0.000 2.387 56 S HA 0.151 4.621 4.470 0.001 0.000 0.226 56 S C 2.029 176.622 174.600 -0.013 0.000 1.026 56 S CA 0.610 58.795 58.200 -0.025 0.000 0.972 56 S CB 0.112 63.297 63.200 -0.025 0.000 0.814 56 S HN 0.221 nan 8.310 nan 0.000 0.477 57 L N -0.331 120.885 121.223 -0.012 0.000 2.470 57 L HA 0.298 4.639 4.340 0.001 0.000 0.219 57 L C 1.532 178.403 176.870 0.003 0.000 1.071 57 L CA 0.513 55.352 54.840 -0.003 0.000 0.850 57 L CB -0.517 41.544 42.059 0.003 0.000 1.040 57 L HN 0.481 nan 8.230 nan 0.000 0.475 58 G N 2.381 111.183 108.800 0.004 0.000 2.182 58 G HA2 -0.263 3.698 3.960 0.001 0.000 0.248 58 G HA3 -0.263 3.698 3.960 0.001 0.000 0.248 58 G C -0.026 174.884 174.900 0.016 0.000 1.042 58 G CA 0.527 45.634 45.100 0.011 0.000 0.775 58 G HN 0.476 nan 8.290 nan 0.000 0.501 59 I N -3.302 117.279 120.570 0.018 0.000 2.769 59 I HA 0.810 4.981 4.170 0.001 0.000 0.298 59 I C -2.297 173.840 176.117 0.033 0.000 1.128 59 I CA -3.271 58.044 61.300 0.025 0.000 1.031 59 I CB 2.154 40.169 38.000 0.026 0.000 1.235 59 I HN -0.100 nan 8.210 nan 0.000 0.423 60 P HA -0.024 nan 4.420 nan 0.000 0.270 60 P C -0.576 176.755 177.300 0.052 0.000 1.227 60 P CA 0.066 63.193 63.100 0.045 0.000 0.788 60 P CB 0.456 32.180 31.700 0.041 0.000 0.926 61 D N 1.162 121.598 120.400 0.060 0.000 2.767 61 D HA 0.069 4.710 4.640 0.001 0.000 0.231 61 D C -0.085 176.251 176.300 0.060 0.000 1.105 61 D CA 0.091 54.131 54.000 0.066 0.000 1.024 61 D CB -1.016 39.831 40.800 0.077 0.000 1.123 61 D HN -0.020 nan 8.370 nan 0.000 0.470 62 L N 0.812 122.070 121.223 0.059 0.000 3.062 62 L HA 0.344 4.685 4.340 0.001 0.000 0.255 62 L C 1.575 178.483 176.870 0.063 0.000 1.274 62 L CA -0.268 54.606 54.840 0.056 0.000 1.047 62 L CB -0.167 41.922 42.059 0.051 0.000 1.402 62 L HN 0.441 nan 8.230 nan 0.000 0.550 63 G N 0.166 109.007 108.800 0.070 0.000 2.283 63 G HA2 -0.315 3.646 3.960 0.001 0.000 0.280 63 G HA3 -0.315 3.646 3.960 0.001 0.000 0.280 63 G C 1.102 176.071 174.900 0.115 0.000 1.029 63 G CA 0.879 46.032 45.100 0.087 0.000 0.840 63 G HN 0.469 nan 8.290 nan 0.000 0.505 64 I N -0.098 120.534 120.570 0.104 0.000 2.731 64 I HA 0.080 4.250 4.170 0.001 0.000 0.260 64 I C 1.933 178.116 176.117 0.109 0.000 1.138 64 I CA 0.587 61.943 61.300 0.093 0.000 1.461 64 I CB -0.197 37.841 38.000 0.063 0.000 1.128 64 I HN 0.309 nan 8.210 nan 0.000 0.438 65 S N 1.827 117.604 115.700 0.127 0.000 2.810 65 S HA -0.052 4.419 4.470 0.001 0.000 0.329 65 S C 0.440 175.161 174.600 0.202 0.000 1.231 65 S CA 0.218 58.505 58.200 0.146 0.000 1.042 65 S CB -0.171 63.142 63.200 0.189 0.000 0.756 65 S HN 0.475 nan 8.310 nan 0.000 0.504 66 T N 3.494 118.047 114.554 -0.000 0.000 2.936 66 T HA 0.350 4.701 4.350 0.001 0.000 0.282 66 T C 1.458 175.699 174.700 -0.765 0.000 1.003 66 T CA -0.837 61.092 62.100 -0.286 0.000 1.005 66 T CB 0.964 69.690 68.868 -0.237 0.000 1.097 66 T HN 0.681 nan 8.240 nan 0.000 0.532 67 M N 0.416 119.078 119.600 -1.562 0.000 2.195 67 M HA -0.153 4.327 4.480 0.001 0.000 0.260 67 M C 1.145 177.049 176.300 -0.660 0.000 1.066 67 M CA 1.984 56.300 55.300 -1.640 0.000 1.089 67 M CB -0.606 31.306 32.600 -1.146 0.000 1.377 67 M HN 0.693 nan 8.290 nan 0.000 0.411 68 D N 0.295 120.424 120.400 -0.451 0.000 2.149 68 D HA -0.143 4.497 4.640 0.001 0.000 0.201 68 D C 1.473 177.656 176.300 -0.194 0.000 0.972 68 D CA 1.155 54.990 54.000 -0.275 0.000 0.835 68 D CB -0.280 40.395 40.800 -0.209 0.000 0.966 68 D HN 0.459 nan 8.370 nan 0.000 0.476 69 D N 0.835 121.132 120.400 -0.172 0.000 2.092 69 D HA -0.124 4.516 4.640 0.001 0.000 0.193 69 D C 2.359 178.631 176.300 -0.047 0.000 0.994 69 D CA 0.701 54.649 54.000 -0.087 0.000 0.828 69 D CB -0.290 40.480 40.800 -0.050 0.000 0.963 69 D HN 0.073 nan 8.370 nan 0.000 0.450 70 V N 1.663 121.565 119.914 -0.020 0.000 2.407 70 V HA -0.201 3.919 4.120 0.001 0.000 0.248 70 V C 2.699 178.867 176.094 0.123 0.000 1.055 70 V CA 0.939 63.306 62.300 0.112 0.000 1.049 70 V CB -0.412 31.580 31.823 0.281 0.000 0.662 70 V HN 0.239 nan 8.190 nan 0.000 0.455 71 L N 0.285 121.486 121.223 -0.036 0.000 2.012 71 L HA -0.194 4.146 4.340 0.001 0.000 0.210 71 L C 2.750 179.551 176.870 -0.116 0.000 1.073 71 L CA 2.456 57.166 54.840 -0.215 0.000 0.748 71 L CB -0.588 41.242 42.059 -0.382 0.000 0.891 71 L HN 0.472 nan 8.230 nan 0.000 0.431 72 V N -1.332 118.529 119.914 -0.089 0.000 2.343 72 V HA -0.269 3.851 4.120 0.001 0.000 0.247 72 V C 1.974 178.054 176.094 -0.023 0.000 1.051 72 V CA 2.286 64.550 62.300 -0.059 0.000 1.036 72 V CB -0.466 31.323 31.823 -0.055 0.000 0.654 72 V HN 0.370 nan 8.190 nan 0.000 0.451 73 D N 1.091 121.489 120.400 -0.004 0.000 2.117 73 D HA -0.044 4.597 4.640 0.001 0.000 0.197 73 D C 2.333 178.653 176.300 0.032 0.000 0.987 73 D CA 1.983 55.991 54.000 0.013 0.000 0.829 73 D CB -0.555 40.253 40.800 0.012 0.000 0.961 73 D HN 0.618 nan 8.370 nan 0.000 0.460 74 A N 0.734 123.592 122.820 0.064 0.000 1.902 74 A HA -0.202 4.118 4.320 0.001 0.000 0.217 74 A C 2.053 179.672 177.584 0.059 0.000 1.181 74 A CA 1.336 53.434 52.037 0.101 0.000 0.623 74 A CB -0.497 18.652 19.000 0.248 0.000 0.818 74 A HN 0.151 nan 8.150 nan 0.000 0.443 75 N N -0.417 118.292 118.700 0.014 0.000 2.142 75 N HA -0.114 4.626 4.740 0.001 0.000 0.186 75 N C 1.955 177.474 175.510 0.016 0.000 1.023 75 N CA 1.211 54.262 53.050 0.001 0.000 0.852 75 N CB -0.256 38.210 38.487 -0.035 0.000 0.998 75 N HN 0.508 nan 8.380 nan 0.000 0.424 76 R N 0.590 121.099 120.500 0.016 0.000 2.091 76 R HA -0.022 4.319 4.340 0.001 0.000 0.238 76 R C 2.326 178.651 176.300 0.041 0.000 1.136 76 R CA 0.970 57.085 56.100 0.025 0.000 0.959 76 R CB -0.258 30.055 30.300 0.022 0.000 0.856 76 R HN 0.272 nan 8.270 nan 0.000 0.437 77 I N 0.445 121.041 120.570 0.044 0.000 2.202 77 I HA -0.237 3.934 4.170 0.001 0.000 0.242 77 I C 2.458 178.610 176.117 0.059 0.000 1.091 77 I CA 1.704 63.036 61.300 0.053 0.000 1.368 77 I CB -0.692 37.338 38.000 0.049 0.000 1.058 77 I HN 0.316 nan 8.210 nan 0.000 0.410 78 T N -1.603 112.987 114.554 0.060 0.000 2.962 78 T HA -0.069 4.281 4.350 0.001 0.000 0.270 78 T C 1.586 176.320 174.700 0.057 0.000 1.088 78 T CA 1.063 63.202 62.100 0.065 0.000 1.127 78 T CB -0.455 68.456 68.868 0.071 0.000 0.883 78 T HN 0.195 nan 8.240 nan 0.000 0.493 79 N N 1.996 120.725 118.700 0.049 0.000 2.309 79 N HA 0.176 4.917 4.740 0.001 0.000 0.182 79 N C 1.912 177.457 175.510 0.058 0.000 1.018 79 N CA 1.239 54.317 53.050 0.047 0.000 0.876 79 N CB -0.451 38.059 38.487 0.038 0.000 0.972 79 N HN 0.651 nan 8.380 nan 0.000 0.434 80 A N -1.044 121.816 122.820 0.067 0.000 2.063 80 A HA 0.128 4.448 4.320 0.001 0.000 0.211 80 A C 1.191 178.826 177.584 0.084 0.000 1.177 80 A CA 0.601 52.688 52.037 0.083 0.000 0.759 80 A CB 0.098 19.154 19.000 0.094 0.000 0.857 80 A HN 0.245 nan 8.150 nan 0.000 0.468 81 T N -0.466 114.132 114.554 0.074 0.000 2.924 81 T HA 0.369 4.719 4.350 0.001 0.000 0.291 81 T C -0.189 174.554 174.700 0.071 0.000 1.045 81 T CA -0.405 61.740 62.100 0.074 0.000 1.015 81 T CB 0.855 69.766 68.868 0.072 0.000 1.103 81 T HN 0.353 nan 8.240 nan 0.000 0.496 82 N N 3.053 121.795 118.700 0.070 0.000 2.238 82 N HA 0.173 4.913 4.740 0.001 0.000 0.222 82 N C 0.032 175.589 175.510 0.079 0.000 1.133 82 N CA -0.318 52.774 53.050 0.069 0.000 0.854 82 N CB 0.504 39.025 38.487 0.058 0.000 1.041 82 N HN 0.402 nan 8.380 nan 0.000 0.510 83 L N 2.192 123.467 121.223 0.088 0.000 2.371 83 L HA 0.326 4.666 4.340 0.001 0.000 0.272 83 L C -1.865 175.079 176.870 0.123 0.000 1.124 83 L CA -1.691 53.211 54.840 0.103 0.000 0.816 83 L CB 0.405 42.530 42.059 0.109 0.000 1.129 83 L HN -0.139 nan 8.230 nan 0.000 0.448 84 P HA 0.077 nan 4.420 nan 0.000 0.268 84 P C -0.917 176.505 177.300 0.203 0.000 1.204 84 P CA -0.298 62.920 63.100 0.197 0.000 0.768 84 P CB 1.182 33.066 31.700 0.307 0.000 0.842 85 L N 4.474 125.771 121.223 0.123 0.000 2.329 85 L HA 0.548 4.888 4.340 0.001 0.000 0.279 85 L C -1.047 175.810 176.870 -0.022 0.000 1.014 85 L CA -0.995 53.896 54.840 0.084 0.000 0.814 85 L CB 1.475 43.574 42.059 0.067 0.000 1.257 85 L HN 0.196 nan 8.230 nan 0.000 0.424 86 L N 6.109 127.334 121.223 0.002 0.000 2.295 86 L HA 0.771 5.112 4.340 0.001 0.000 0.285 86 L C -1.227 175.561 176.870 -0.137 0.000 1.035 86 L CA -0.190 54.597 54.840 -0.089 0.000 0.806 86 L CB 1.729 43.847 42.059 0.098 0.000 1.214 86 L HN 0.442 nan 8.230 nan 0.000 0.426 87 V N 3.511 123.275 119.914 -0.252 0.000 2.540 87 V HA 0.346 4.467 4.120 0.001 0.000 0.302 87 V C -0.811 174.957 176.094 -0.545 0.000 1.035 87 V CA -0.779 61.286 62.300 -0.392 0.000 0.873 87 V CB 1.640 33.251 31.823 -0.354 0.000 0.992 87 V HN 0.816 nan 8.190 nan 0.000 0.428 88 D N 4.203 124.233 120.400 -0.616 0.000 2.339 88 D HA 0.230 4.871 4.640 0.001 0.000 0.256 88 D C 0.622 176.640 176.300 -0.470 0.000 1.214 88 D CA -0.131 53.428 54.000 -0.733 0.000 0.877 88 D CB 0.805 41.420 40.800 -0.308 0.000 1.111 88 D HN 0.619 nan 8.370 nan 0.000 0.478 89 I N -0.507 119.748 120.570 -0.526 0.000 3.877 89 I HA 0.290 4.460 4.170 0.001 0.000 0.332 89 I C 0.108 175.742 176.117 -0.806 0.000 1.525 89 I CA -0.676 60.298 61.300 -0.543 0.000 1.146 89 I CB -0.076 37.654 38.000 -0.449 0.000 1.137 89 I HN 0.134 nan 8.210 nan 0.000 0.424 90 D N 2.514 122.605 120.400 -0.515 0.000 3.740 90 D HA -0.314 4.326 4.640 0.001 0.000 0.147 90 D C 1.323 177.371 176.300 -0.420 0.000 0.885 90 D CA 3.037 56.772 54.000 -0.442 0.000 1.051 90 D CB -0.849 39.623 40.800 -0.545 0.000 0.480 90 D HN 0.549 nan 8.370 nan 0.000 0.469 91 T N -2.189 112.076 114.554 -0.482 0.000 3.086 91 T HA 0.466 4.817 4.350 0.001 0.000 0.250 91 T C 1.373 175.878 174.700 -0.326 0.000 1.074 91 T CA 1.058 62.964 62.100 -0.324 0.000 0.988 91 T CB 0.556 69.285 68.868 -0.231 0.000 0.988 91 T HN 1.182 nan 8.240 nan 0.000 0.530 92 G N 1.118 109.603 108.800 -0.526 0.000 2.175 92 G HA2 -0.226 3.735 3.960 0.001 0.000 0.244 92 G HA3 -0.226 3.735 3.960 0.001 0.000 0.244 92 G C 0.263 175.197 174.900 0.056 0.000 0.982 92 G CA -0.267 44.685 45.100 -0.246 0.000 0.641 92 G HN 0.485 nan 8.290 nan 0.000 0.527 93 W N -0.862 120.449 121.300 0.017 0.000 5.158 93 W HA 0.008 4.668 4.660 0.000 0.000 0.393 93 W C 1.079 177.614 176.519 0.026 0.000 1.508 93 W CA 1.362 58.723 57.345 0.026 0.000 0.901 93 W CB -2.030 27.457 29.460 0.045 0.000 2.676 93 W HN 2.023 nan 8.180 nan 0.000 1.392 94 G N -1.037 107.841 108.800 0.129 0.000 2.293 94 G HA2 0.381 4.341 3.960 0.001 0.000 0.282 94 G HA3 0.381 4.341 3.960 0.001 0.000 0.282 94 G C 0.214 175.136 174.900 0.036 0.000 1.299 94 G CA -0.175 44.980 45.100 0.092 0.000 1.018 94 G HN 0.675 nan 8.290 nan 0.000 0.478 95 G N -0.856 107.958 108.800 0.024 0.000 2.529 95 G HA2 0.586 4.547 3.960 0.001 0.000 0.277 95 G HA3 0.586 4.547 3.960 0.001 0.000 0.277 95 G C 1.632 176.491 174.900 -0.068 0.000 1.383 95 G CA 1.309 46.381 45.100 -0.046 0.000 1.050 95 G HN 1.923 nan 8.290 nan 0.000 0.526 96 A N -1.205 121.493 122.820 -0.202 0.000 1.933 96 A HA 0.060 4.381 4.320 0.001 0.000 0.218 96 A C 2.087 179.615 177.584 -0.093 0.000 1.175 96 A CA 1.567 53.480 52.037 -0.206 0.000 0.628 96 A CB -0.491 18.305 19.000 -0.341 0.000 0.814 96 A HN 0.434 nan 8.150 nan 0.000 0.444 97 F N 0.527 120.492 119.950 0.025 0.000 2.234 97 F HA -0.102 4.425 4.527 0.001 0.000 0.299 97 F C 2.077 177.901 175.800 0.041 0.000 1.087 97 F CA 1.223 59.239 58.000 0.027 0.000 1.340 97 F CB -1.121 37.892 39.000 0.021 0.000 1.031 97 F HN 0.333 nan 8.300 nan 0.000 0.500 98 N N 0.315 119.149 118.700 0.223 0.000 2.207 98 N HA -0.055 4.685 4.740 0.001 0.000 0.182 98 N C 1.875 177.493 175.510 0.181 0.000 1.020 98 N CA 0.898 54.060 53.050 0.187 0.000 0.858 98 N CB -0.225 38.371 38.487 0.180 0.000 0.991 98 N HN 0.125 nan 8.380 nan 0.000 0.427 99 I N 1.536 122.187 120.570 0.134 0.000 2.151 99 I HA -0.315 3.855 4.170 0.001 0.000 0.243 99 I C 2.526 178.717 176.117 0.124 0.000 1.080 99 I CA 1.040 62.408 61.300 0.114 0.000 1.339 99 I CB -0.391 37.635 38.000 0.042 0.000 1.039 99 I HN 0.177 nan 8.210 nan 0.000 0.409 100 A N 0.670 123.559 122.820 0.116 0.000 1.873 100 A HA -0.302 4.018 4.320 0.001 0.000 0.218 100 A C 2.433 180.078 177.584 0.102 0.000 1.193 100 A CA 2.244 54.345 52.037 0.107 0.000 0.629 100 A CB -0.773 18.306 19.000 0.132 0.000 0.826 100 A HN 0.381 nan 8.150 nan 0.000 0.447 101 R N -1.034 119.536 120.500 0.115 0.000 2.091 101 R HA -0.127 4.214 4.340 0.001 0.000 0.238 101 R C 2.224 178.590 176.300 0.110 0.000 1.136 101 R CA 2.071 58.221 56.100 0.084 0.000 0.959 101 R CB -0.628 29.716 30.300 0.074 0.000 0.856 101 R HN 0.541 nan 8.270 nan 0.000 0.437 102 T N 1.595 116.269 114.554 0.199 0.000 2.652 102 T HA -0.147 4.203 4.350 0.001 0.000 0.267 102 T C 1.797 176.710 174.700 0.355 0.000 1.039 102 T CA 1.417 63.728 62.100 0.352 0.000 1.153 102 T CB -0.133 69.015 68.868 0.467 0.000 0.863 102 T HN 0.116 nan 8.240 nan 0.000 0.428 103 I N 1.421 122.119 120.570 0.213 0.000 2.163 103 I HA -0.149 4.022 4.170 0.001 0.000 0.243 103 I C 2.584 178.697 176.117 -0.007 0.000 1.085 103 I CA 1.554 62.927 61.300 0.121 0.000 1.347 103 I CB -0.980 37.054 38.000 0.056 0.000 1.044 103 I HN 0.277 nan 8.210 nan 0.000 0.408 104 R N 0.168 120.660 120.500 -0.012 0.000 2.081 104 R HA -0.122 4.219 4.340 0.001 0.000 0.235 104 R C 2.479 178.735 176.300 -0.073 0.000 1.131 104 R CA 1.672 57.731 56.100 -0.068 0.000 0.960 104 R CB -0.411 29.864 30.300 -0.041 0.000 0.856 104 R HN 0.292 nan 8.270 nan 0.000 0.436 105 S N 0.611 116.281 115.700 -0.049 0.000 2.359 105 S HA -0.113 4.358 4.470 0.001 0.000 0.224 105 S C 1.642 176.111 174.600 -0.219 0.000 1.035 105 S CA 1.398 59.500 58.200 -0.164 0.000 1.018 105 S CB -0.248 62.799 63.200 -0.255 0.000 0.876 105 S HN 0.197 nan 8.310 nan 0.000 0.448 106 F N 1.232 121.179 119.950 -0.005 0.000 2.325 106 F HA 0.148 4.675 4.527 0.001 0.000 0.299 106 F C 1.930 177.753 175.800 0.038 0.000 1.090 106 F CA 0.276 58.309 58.000 0.055 0.000 1.392 106 F CB -0.482 38.613 39.000 0.158 0.000 1.053 106 F HN 0.155 nan 8.300 nan 0.000 0.521 107 I N 0.014 120.560 120.570 -0.039 0.000 2.113 107 I HA -0.329 3.842 4.170 0.001 0.000 0.238 107 I C 2.563 178.658 176.117 -0.037 0.000 1.070 107 I CA 1.479 62.657 61.300 -0.203 0.000 1.332 107 I CB -0.532 37.175 38.000 -0.488 0.000 1.044 107 I HN 0.019 nan 8.210 nan 0.000 0.402 108 K N 1.193 121.553 120.400 -0.067 0.000 2.152 108 K HA -0.194 4.127 4.320 0.001 0.000 0.206 108 K C 2.043 178.626 176.600 -0.029 0.000 1.048 108 K CA 1.486 57.743 56.287 -0.050 0.000 0.933 108 K CB -0.103 32.353 32.500 -0.073 0.000 0.721 108 K HN 0.344 nan 8.250 nan 0.000 0.447 109 A N 0.132 122.933 122.820 -0.032 0.000 2.172 109 A HA 0.040 4.361 4.320 0.001 0.000 0.216 109 A C 1.310 178.928 177.584 0.056 0.000 1.154 109 A CA 1.258 53.285 52.037 -0.017 0.000 0.701 109 A CB -0.505 18.459 19.000 -0.060 0.000 0.789 109 A HN 0.547 nan 8.150 nan 0.000 0.465 110 G N -1.641 107.215 108.800 0.093 0.000 2.132 110 G HA2 -0.166 3.794 3.960 0.001 0.000 0.228 110 G HA3 -0.166 3.794 3.960 0.001 0.000 0.228 110 G C 0.164 175.161 174.900 0.163 0.000 1.000 110 G CA 0.106 45.275 45.100 0.116 0.000 0.693 110 G HN 0.714 nan 8.290 nan 0.000 0.515 111 V N -0.450 119.609 119.914 0.241 0.000 3.133 111 V HA 0.614 4.734 4.120 0.001 0.000 0.305 111 V C 1.753 177.975 176.094 0.213 0.000 1.084 111 V CA 1.030 63.468 62.300 0.230 0.000 1.089 111 V CB 1.556 33.559 31.823 0.300 0.000 1.073 111 V HN 0.563 nan 8.190 nan 0.000 0.477 112 G N 0.470 109.260 108.800 -0.017 0.000 2.743 112 G HA2 0.577 4.538 3.960 0.001 0.000 0.206 112 G HA3 0.577 4.538 3.960 0.001 0.000 0.206 112 G C 0.171 174.685 174.900 -0.643 0.000 1.115 112 G CA 0.791 45.799 45.100 -0.152 0.000 0.782 112 G HN 1.050 nan 8.290 nan 0.000 0.524 113 A N -1.080 121.274 122.820 -0.776 0.000 2.594 113 A HA 0.806 5.126 4.320 0.001 0.000 0.291 113 A C -1.836 175.376 177.584 -0.621 0.000 1.105 113 A CA -0.550 50.926 52.037 -0.934 0.000 0.694 113 A CB 1.981 20.231 19.000 -1.250 0.000 1.291 113 A HN 0.809 nan 8.150 nan 0.000 0.410 114 V N 0.581 120.217 119.914 -0.464 0.000 3.178 114 V HA 0.717 4.838 4.120 0.001 0.000 0.302 114 V C -1.982 174.048 176.094 -0.107 0.000 1.262 114 V CA -0.466 61.669 62.300 -0.275 0.000 1.030 114 V CB 2.601 34.327 31.823 -0.160 0.000 1.074 114 V HN 1.647 nan 8.190 nan 0.000 0.438 115 H N 3.810 122.826 119.070 -0.090 0.000 2.840 115 H HA 0.675 5.232 4.556 0.001 0.000 0.340 115 H C -1.679 173.607 175.328 -0.070 0.000 1.004 115 H CA -0.856 55.181 56.048 -0.019 0.000 1.288 115 H CB 1.029 30.869 29.762 0.131 0.000 1.607 115 H HN 0.582 nan 8.280 nan 0.000 0.522 116 L N 3.908 125.169 121.223 0.063 0.000 2.312 116 L HA 0.320 4.660 4.340 0.001 0.000 0.281 116 L C 0.365 177.215 176.870 -0.035 0.000 1.070 116 L CA -0.577 54.234 54.840 -0.048 0.000 0.805 116 L CB 1.325 43.327 42.059 -0.096 0.000 1.174 116 L HN 0.855 nan 8.230 nan 0.000 0.434 117 E N 2.113 122.265 120.200 -0.080 0.000 2.212 117 E HA 0.127 4.478 4.350 0.001 0.000 0.270 117 E C -0.603 175.918 176.600 -0.132 0.000 0.956 117 E CA -0.742 55.593 56.400 -0.108 0.000 0.825 117 E CB 1.616 31.252 29.700 -0.106 0.000 1.167 117 E HN 0.609 nan 8.360 nan 0.000 0.400 118 D N 2.315 122.649 120.400 -0.111 0.000 2.355 118 D HA -0.099 4.541 4.640 0.001 0.000 0.253 118 D C -0.141 176.126 176.300 -0.056 0.000 1.187 118 D CA 0.116 54.069 54.000 -0.078 0.000 0.900 118 D CB 0.084 40.902 40.800 0.030 0.000 0.915 118 D HN 0.246 nan 8.370 nan 0.000 0.516 119 Q N 0.545 120.300 119.800 -0.076 0.000 2.392 119 Q HA 0.108 4.448 4.340 0.001 0.000 0.262 119 Q C -0.070 175.889 176.000 -0.068 0.000 1.003 119 Q CA -0.454 55.310 55.803 -0.064 0.000 0.888 119 Q CB 2.113 30.809 28.738 -0.070 0.000 1.260 119 Q HN 0.103 nan 8.270 nan 0.000 0.435 120 V N 2.986 122.866 119.914 -0.056 0.000 2.617 120 V HA 0.062 4.183 4.120 0.001 0.000 0.304 120 V C 1.145 177.195 176.094 -0.072 0.000 1.040 120 V CA 1.075 63.337 62.300 -0.064 0.000 1.149 120 V CB 0.665 32.446 31.823 -0.069 0.000 0.914 120 V HN 0.917 nan 8.190 nan 0.000 0.487 121 G N 4.482 113.239 108.800 -0.072 0.000 2.820 121 G HA2 0.007 3.967 3.960 0.001 0.000 0.158 121 G HA3 0.007 3.967 3.960 0.001 0.000 0.158 121 G C 0.189 175.055 174.900 -0.056 0.000 1.715 121 G CA -0.179 44.881 45.100 -0.066 0.000 1.057 121 G HN 0.708 nan 8.290 nan 0.000 0.525 122 Q N 0.629 120.406 119.800 -0.038 0.000 2.296 122 Q HA 0.207 4.548 4.340 0.001 0.000 0.263 122 Q C -0.274 175.687 176.000 -0.066 0.000 1.026 122 Q CA -0.265 55.520 55.803 -0.030 0.000 0.912 122 Q CB 0.599 29.336 28.738 -0.001 0.000 1.198 122 Q HN 0.261 nan 8.270 nan 0.000 0.407 123 K N 1.931 122.271 120.400 -0.101 0.000 2.332 123 K HA 0.115 4.435 4.320 0.001 0.000 0.246 123 K C 0.218 176.762 176.600 -0.092 0.000 1.066 123 K CA -0.523 55.640 56.287 -0.207 0.000 0.898 123 K CB 0.104 32.355 32.500 -0.416 0.000 1.192 123 K HN 0.539 nan 8.250 nan 0.000 0.509 124 R N -0.225 120.231 120.500 -0.074 0.000 2.811 124 R HA -0.080 4.260 4.340 0.001 0.000 0.265 124 R C 1.130 177.468 176.300 0.063 0.000 1.026 124 R CA 0.321 56.434 56.100 0.021 0.000 1.142 124 R CB 0.039 30.375 30.300 0.059 0.000 1.027 124 R HN 0.810 nan 8.270 nan 0.000 0.465 125 C N 2.586 121.917 119.300 0.052 0.000 2.396 125 C HA -0.069 4.392 4.460 0.001 0.000 0.281 125 C C 2.537 177.570 174.990 0.072 0.000 1.208 125 C CA 1.680 60.729 59.018 0.053 0.000 1.754 125 C CB -1.760 26.003 27.740 0.038 0.000 2.044 125 C HN 0.948 nan 8.230 nan 0.000 0.449 126 G N -0.109 108.732 108.800 0.067 0.000 2.882 126 G HA2 0.027 3.987 3.960 0.001 0.000 0.206 126 G HA3 0.027 3.987 3.960 0.001 0.000 0.206 126 G C 0.690 175.631 174.900 0.068 0.000 1.155 126 G CA 0.094 45.228 45.100 0.056 0.000 0.800 126 G HN 0.899 nan 8.290 nan 0.000 0.524 127 H N 0.488 119.564 119.070 0.010 0.000 3.016 127 H HA 0.132 4.688 4.556 0.001 0.000 0.345 127 H C 0.448 175.782 175.328 0.009 0.000 1.066 127 H CA 0.083 56.136 56.048 0.009 0.000 1.390 127 H CB 0.649 30.416 29.762 0.008 0.000 1.344 127 H HN 0.031 nan 8.280 nan 0.000 0.605 128 R N 3.489 123.672 120.500 -0.527 0.000 2.641 128 R HA 0.150 4.491 4.340 0.001 0.000 0.269 128 R C -1.925 174.309 176.300 -0.110 0.000 1.074 128 R CA -0.992 54.936 56.100 -0.287 0.000 1.133 128 R CB 0.312 30.430 30.300 -0.304 0.000 1.029 128 R HN 0.536 nan 8.270 nan 0.000 0.488 129 P HA 0.324 nan 4.420 nan 0.000 0.274 129 P C -0.641 176.684 177.300 0.042 0.000 1.237 129 P CA -0.222 62.908 63.100 0.049 0.000 0.793 129 P CB 1.128 32.849 31.700 0.034 0.000 0.977 130 G N 0.158 108.999 108.800 0.068 0.000 2.312 130 G HA2 0.155 4.115 3.960 0.001 0.000 0.347 130 G HA3 0.155 4.115 3.960 0.001 0.000 0.347 130 G C -1.473 173.465 174.900 0.063 0.000 1.564 130 G CA -0.957 44.176 45.100 0.055 0.000 0.981 130 G HN 0.395 nan 8.290 nan 0.000 0.678 131 K N 0.423 120.846 120.400 0.039 0.000 2.319 131 K HA 0.668 4.989 4.320 0.001 0.000 0.265 131 K C 0.382 176.998 176.600 0.027 0.000 1.000 131 K CA 0.113 56.415 56.287 0.024 0.000 0.943 131 K CB 0.953 33.460 32.500 0.011 0.000 0.950 131 K HN 0.772 nan 8.250 nan 0.000 0.485 132 E N 1.234 121.440 120.200 0.011 0.000 2.935 132 E HA 0.108 4.458 4.350 0.001 0.000 0.321 132 E C -1.369 175.226 176.600 -0.009 0.000 1.070 132 E CA -0.535 55.869 56.400 0.007 0.000 0.882 132 E CB 0.379 30.089 29.700 0.016 0.000 1.224 132 E HN 0.620 nan 8.360 nan 0.000 0.445 133 C N 2.543 121.840 119.300 -0.005 0.000 2.422 133 C HA 0.645 5.105 4.460 0.001 0.000 0.364 133 C C 0.528 175.514 174.990 -0.006 0.000 1.251 133 C CA -0.648 58.368 59.018 -0.003 0.000 2.441 133 C CB 0.347 28.095 27.740 0.014 0.000 2.393 133 C HN 0.479 nan 8.230 nan 0.000 0.606 134 V N -0.173 119.738 119.914 -0.007 0.000 2.997 134 V HA 0.481 4.602 4.120 0.001 0.000 0.311 134 V C -2.489 173.614 176.094 0.015 0.000 1.066 134 V CA -2.048 60.248 62.300 -0.008 0.000 1.039 134 V CB -0.428 31.380 31.823 -0.024 0.000 1.081 134 V HN 0.764 nan 8.190 nan 0.000 0.467 135 P HA 0.007 nan 4.420 nan 0.000 0.265 135 P C 0.830 178.164 177.300 0.056 0.000 1.167 135 P CA 1.018 64.133 63.100 0.024 0.000 0.760 135 P CB 0.329 32.036 31.700 0.011 0.000 0.783 136 A N 4.268 127.136 122.820 0.080 0.000 1.892 136 A HA -0.165 4.155 4.320 0.001 0.000 0.218 136 A C 2.364 180.038 177.584 0.151 0.000 1.188 136 A CA 2.265 54.398 52.037 0.160 0.000 0.631 136 A CB -1.766 17.285 19.000 0.086 0.000 0.822 136 A HN 0.641 nan 8.150 nan 0.000 0.447 137 G N -0.666 108.180 108.800 0.076 0.000 2.499 137 G HA2 -0.249 3.711 3.960 0.001 0.000 0.221 137 G HA3 -0.249 3.711 3.960 0.001 0.000 0.221 137 G C 1.418 176.335 174.900 0.030 0.000 1.109 137 G CA 1.536 46.666 45.100 0.050 0.000 0.749 137 G HN 0.654 nan 8.290 nan 0.000 0.568 138 E N -0.204 120.008 120.200 0.020 0.000 2.086 138 E HA 0.003 4.354 4.350 0.001 0.000 0.190 138 E C 2.273 178.846 176.600 -0.046 0.000 0.975 138 E CA 0.766 57.157 56.400 -0.016 0.000 0.813 138 E CB -0.345 29.342 29.700 -0.021 0.000 0.768 138 E HN 0.240 nan 8.360 nan 0.000 0.457 139 M N -0.115 119.452 119.600 -0.055 0.000 2.213 139 M HA -0.082 4.398 4.480 0.001 0.000 0.263 139 M C 1.728 177.912 176.300 -0.193 0.000 1.062 139 M CA 1.184 56.370 55.300 -0.189 0.000 1.105 139 M CB -0.228 32.153 32.600 -0.364 0.000 1.385 139 M HN 0.114 nan 8.290 nan 0.000 0.417 140 V N 0.452 120.339 119.914 -0.044 0.000 2.332 140 V HA -0.295 3.826 4.120 0.001 0.000 0.248 140 V C 1.968 178.044 176.094 -0.030 0.000 1.055 140 V CA 2.119 64.422 62.300 0.005 0.000 1.038 140 V CB -1.026 30.842 31.823 0.076 0.000 0.651 140 V HN 0.417 nan 8.190 nan 0.000 0.450 141 D N -0.212 120.166 120.400 -0.037 0.000 2.097 141 D HA -0.133 4.508 4.640 0.001 0.000 0.195 141 D C 2.438 178.700 176.300 -0.063 0.000 0.989 141 D CA 1.189 55.161 54.000 -0.046 0.000 0.827 141 D CB -0.254 40.515 40.800 -0.051 0.000 0.966 141 D HN 0.374 nan 8.370 nan 0.000 0.456 142 R N 0.098 120.546 120.500 -0.087 0.000 2.083 142 R HA -0.082 4.259 4.340 0.001 0.000 0.237 142 R C 2.567 178.820 176.300 -0.078 0.000 1.137 142 R CA 0.859 56.903 56.100 -0.093 0.000 0.951 142 R CB -0.446 29.778 30.300 -0.125 0.000 0.851 142 R HN 0.257 nan 8.270 nan 0.000 0.434 143 I N 1.055 121.566 120.570 -0.098 0.000 2.226 143 I HA -0.295 3.875 4.170 0.001 0.000 0.245 143 I C 2.400 178.506 176.117 -0.018 0.000 1.100 143 I CA 1.446 62.708 61.300 -0.063 0.000 1.374 143 I CB -0.262 37.691 38.000 -0.078 0.000 1.057 143 I HN 0.112 nan 8.210 nan 0.000 0.413 144 K N 0.798 121.188 120.400 -0.017 0.000 2.044 144 K HA -0.220 4.100 4.320 0.001 0.000 0.210 144 K C 2.288 178.889 176.600 0.002 0.000 1.049 144 K CA 1.744 58.031 56.287 -0.000 0.000 0.927 144 K CB -0.339 32.158 32.500 -0.005 0.000 0.713 144 K HN 0.361 nan 8.250 nan 0.000 0.443 145 A N 1.270 124.083 122.820 -0.012 0.000 1.902 145 A HA -0.137 4.183 4.320 0.001 0.000 0.217 145 A C 2.326 179.922 177.584 0.021 0.000 1.181 145 A CA 1.936 53.971 52.037 -0.003 0.000 0.623 145 A CB -0.606 18.377 19.000 -0.028 0.000 0.818 145 A HN 0.376 nan 8.150 nan 0.000 0.443 146 A N -0.551 122.281 122.820 0.021 0.000 1.873 146 A HA 0.023 4.344 4.320 0.001 0.000 0.215 146 A C 2.209 179.828 177.584 0.058 0.000 1.186 146 A CA 1.701 53.766 52.037 0.046 0.000 0.616 146 A CB -1.023 18.004 19.000 0.045 0.000 0.823 146 A HN 0.414 nan 8.150 nan 0.000 0.442 147 V N 0.731 120.677 119.914 0.053 0.000 2.332 147 V HA -0.306 3.815 4.120 0.001 0.000 0.248 147 V C 2.307 178.431 176.094 0.050 0.000 1.055 147 V CA 2.616 64.953 62.300 0.061 0.000 1.038 147 V CB -0.926 30.928 31.823 0.052 0.000 0.651 147 V HN 0.785 nan 8.190 nan 0.000 0.450 148 D N 0.285 120.709 120.400 0.039 0.000 2.097 148 D HA -0.127 4.514 4.640 0.001 0.000 0.197 148 D C 2.065 178.384 176.300 0.033 0.000 0.984 148 D CA 1.382 55.404 54.000 0.035 0.000 0.826 148 D CB -0.183 40.637 40.800 0.033 0.000 0.973 148 D HN 0.375 nan 8.370 nan 0.000 0.460 149 A N 0.193 123.034 122.820 0.034 0.000 2.067 149 A HA -0.087 4.234 4.320 0.001 0.000 0.219 149 A C 1.484 179.066 177.584 -0.005 0.000 1.158 149 A CA 0.214 52.265 52.037 0.024 0.000 0.661 149 A CB -0.533 18.489 19.000 0.036 0.000 0.801 149 A HN 0.224 nan 8.150 nan 0.000 0.452 150 R N 1.226 121.728 120.500 0.003 0.000 2.484 150 R HA 0.076 4.417 4.340 0.001 0.000 0.293 150 R C 0.909 177.198 176.300 -0.019 0.000 1.023 150 R CA 1.054 57.140 56.100 -0.024 0.000 1.037 150 R CB 0.385 30.717 30.300 0.052 0.000 0.951 150 R HN 0.378 nan 8.270 nan 0.000 0.418 151 T N -0.532 113.988 114.554 -0.057 0.000 3.044 151 T HA 0.022 4.373 4.350 0.001 0.000 0.250 151 T C 0.150 174.848 174.700 -0.004 0.000 1.081 151 T CA -0.051 62.032 62.100 -0.029 0.000 1.040 151 T CB 0.252 69.093 68.868 -0.045 0.000 0.962 151 T HN 0.546 nan 8.240 nan 0.000 0.506 152 D N 0.483 120.888 120.400 0.010 0.000 2.602 152 D HA 0.227 4.868 4.640 0.001 0.000 0.245 152 D C 0.486 176.852 176.300 0.109 0.000 1.325 152 D CA -0.426 53.606 54.000 0.054 0.000 0.952 152 D CB 1.884 42.717 40.800 0.055 0.000 1.317 152 D HN 0.115 nan 8.370 nan 0.000 0.577 153 E N 1.026 121.284 120.200 0.097 0.000 2.219 153 E HA -0.186 4.165 4.350 0.001 0.000 0.198 153 E C 1.583 178.265 176.600 0.137 0.000 0.998 153 E CA 1.777 58.243 56.400 0.111 0.000 0.818 153 E CB 0.305 30.053 29.700 0.081 0.000 0.741 153 E HN 0.695 nan 8.360 nan 0.000 0.477 154 T N -1.117 113.521 114.554 0.140 0.000 2.915 154 T HA -0.180 4.171 4.350 0.001 0.000 0.269 154 T C 0.701 175.504 174.700 0.172 0.000 1.071 154 T CA 0.044 62.229 62.100 0.141 0.000 1.132 154 T CB -0.410 68.533 68.868 0.124 0.000 0.878 154 T HN 0.047 nan 8.240 nan 0.000 0.479 155 F N 2.939 122.918 119.950 0.048 0.000 2.590 155 F HA 0.336 4.863 4.527 0.001 0.000 0.389 155 F C -0.075 175.739 175.800 0.022 0.000 1.049 155 F CA -0.662 57.357 58.000 0.031 0.000 1.199 155 F CB 0.426 39.444 39.000 0.031 0.000 1.058 155 F HN -0.108 nan 8.300 nan 0.000 0.556 156 V N 8.594 128.243 119.914 -0.443 0.000 2.406 156 V HA 0.220 4.341 4.120 0.001 0.000 0.272 156 V C 0.306 176.220 176.094 -0.300 0.000 1.043 156 V CA -0.554 61.586 62.300 -0.268 0.000 0.915 156 V CB 1.022 32.699 31.823 -0.244 0.000 0.988 156 V HN 0.504 nan 8.190 nan 0.000 0.466 157 I N 6.129 126.664 120.570 -0.058 0.000 2.330 157 I HA 0.448 4.619 4.170 0.001 0.000 0.289 157 I C -0.043 176.087 176.117 0.022 0.000 1.001 157 I CA -0.017 61.282 61.300 -0.001 0.000 1.193 157 I CB 1.279 39.330 38.000 0.085 0.000 1.345 157 I HN 0.567 nan 8.210 nan 0.000 0.461 158 M N 6.483 126.102 119.600 0.032 0.000 2.294 158 M HA 0.690 5.171 4.480 0.001 0.000 0.335 158 M C -0.945 175.422 176.300 0.112 0.000 1.079 158 M CA -0.490 54.864 55.300 0.092 0.000 0.982 158 M CB 1.610 34.281 32.600 0.118 0.000 1.651 158 M HN 0.633 nan 8.290 nan 0.000 0.437 159 A N 5.459 128.345 122.820 0.110 0.000 2.274 159 A HA 0.591 4.912 4.320 0.001 0.000 0.309 159 A C -0.719 176.920 177.584 0.092 0.000 1.226 159 A CA -0.696 51.386 52.037 0.074 0.000 0.853 159 A CB 0.638 19.698 19.000 0.100 0.000 1.146 159 A HN 0.946 nan 8.150 nan 0.000 0.518 160 R N 1.817 122.307 120.500 -0.018 0.000 2.445 160 R HA 0.571 4.912 4.340 0.001 0.000 0.308 160 R C -1.110 175.106 176.300 -0.141 0.000 0.961 160 R CA -0.060 55.914 56.100 -0.211 0.000 0.862 160 R CB 1.462 31.464 30.300 -0.497 0.000 1.144 160 R HN 0.676 nan 8.270 nan 0.000 0.447 161 T N 1.295 115.770 114.554 -0.132 0.000 2.861 161 T HA 0.191 4.541 4.350 0.001 0.000 0.287 161 T C -0.336 174.298 174.700 -0.110 0.000 1.003 161 T CA -0.592 61.494 62.100 -0.022 0.000 0.977 161 T CB 1.392 70.347 68.868 0.146 0.000 0.996 161 T HN 0.641 nan 8.240 nan 0.000 0.448 162 D N 2.989 123.344 120.400 -0.075 0.000 2.424 162 D HA 0.284 4.925 4.640 0.001 0.000 0.220 162 D C 1.630 177.913 176.300 -0.029 0.000 1.150 162 D CA 0.062 54.017 54.000 -0.075 0.000 0.831 162 D CB 0.538 41.294 40.800 -0.074 0.000 0.981 162 D HN 0.677 nan 8.370 nan 0.000 0.500 163 A N 0.737 123.555 122.820 -0.003 0.000 1.930 163 A HA -0.065 4.255 4.320 0.001 0.000 0.217 163 A C 2.342 179.928 177.584 0.003 0.000 1.175 163 A CA 1.617 53.658 52.037 0.007 0.000 0.627 163 A CB -0.393 18.617 19.000 0.018 0.000 0.815 163 A HN 0.258 nan 8.150 nan 0.000 0.443 164 A N 0.245 123.070 122.820 0.009 0.000 1.896 164 A HA -0.089 4.232 4.320 0.001 0.000 0.220 164 A C 2.541 180.122 177.584 -0.004 0.000 1.206 164 A CA 2.895 54.938 52.037 0.010 0.000 0.647 164 A CB -1.283 17.720 19.000 0.006 0.000 0.828 164 A HN 1.272 nan 8.150 nan 0.000 0.455 165 A N -1.133 121.680 122.820 -0.011 0.000 1.908 165 A HA 0.134 4.455 4.320 0.001 0.000 0.218 165 A C 2.332 179.913 177.584 -0.004 0.000 1.181 165 A CA 2.550 54.582 52.037 -0.008 0.000 0.627 165 A CB -0.703 18.291 19.000 -0.010 0.000 0.818 165 A HN 1.336 nan 8.150 nan 0.000 0.445 166 A N -1.554 121.264 122.820 -0.003 0.000 2.229 166 A HA 0.300 4.620 4.320 0.001 0.000 0.211 166 A C 1.361 178.944 177.584 -0.003 0.000 1.193 166 A CA 0.700 52.736 52.037 -0.002 0.000 0.879 166 A CB 0.208 19.208 19.000 0.001 0.000 0.911 166 A HN 0.502 nan 8.150 nan 0.000 0.492 167 E N -0.575 119.622 120.200 -0.005 0.000 2.562 167 E HA 0.408 4.758 4.350 0.001 0.000 0.214 167 E C 0.529 177.122 176.600 -0.012 0.000 0.979 167 E CA 0.107 56.502 56.400 -0.009 0.000 1.002 167 E CB 0.751 30.445 29.700 -0.010 0.000 1.048 167 E HN 0.625 nan 8.360 nan 0.000 0.488 168 G N 1.694 110.489 108.800 -0.009 0.000 2.731 168 G HA2 -0.284 3.677 3.960 0.001 0.000 0.686 168 G HA3 -0.284 3.677 3.960 0.001 0.000 0.686 168 G C 0.367 175.261 174.900 -0.009 0.000 1.395 168 G CA -0.182 44.912 45.100 -0.011 0.000 0.870 168 G HN 0.252 nan 8.290 nan 0.000 0.591 169 I N -0.065 120.501 120.570 -0.006 0.000 2.335 169 I HA -0.120 4.051 4.170 0.001 0.000 0.251 169 I C 2.072 178.165 176.117 -0.040 0.000 1.129 169 I CA 2.402 63.707 61.300 0.009 0.000 1.402 169 I CB -0.047 37.963 38.000 0.016 0.000 1.069 169 I HN 0.602 nan 8.210 nan 0.000 0.424 170 D N 1.100 121.463 120.400 -0.061 0.000 2.117 170 D HA -0.127 4.513 4.640 0.001 0.000 0.198 170 D C 2.297 178.532 176.300 -0.109 0.000 0.982 170 D CA 1.472 55.413 54.000 -0.098 0.000 0.828 170 D CB -0.280 40.475 40.800 -0.076 0.000 0.967 170 D HN 0.508 nan 8.370 nan 0.000 0.464 171 A N 1.376 124.151 122.820 -0.075 0.000 1.892 171 A HA -0.161 4.160 4.320 0.001 0.000 0.218 171 A C 2.352 179.880 177.584 -0.093 0.000 1.188 171 A CA 2.612 54.605 52.037 -0.074 0.000 0.631 171 A CB -0.828 18.145 19.000 -0.045 0.000 0.822 171 A HN 0.250 nan 8.150 nan 0.000 0.447 172 A N -0.109 122.677 122.820 -0.058 0.000 1.908 172 A HA -0.114 4.206 4.320 0.001 0.000 0.218 172 A C 2.132 179.644 177.584 -0.120 0.000 1.181 172 A CA 1.588 53.617 52.037 -0.014 0.000 0.627 172 A CB -0.648 18.428 19.000 0.127 0.000 0.818 172 A HN 0.527 nan 8.150 nan 0.000 0.445 173 I N -0.557 119.824 120.570 -0.316 0.000 2.226 173 I HA -0.225 3.945 4.170 0.001 0.000 0.245 173 I C 2.518 178.409 176.117 -0.376 0.000 1.100 173 I CA 1.260 62.183 61.300 -0.629 0.000 1.374 173 I CB -0.438 37.175 38.000 -0.644 0.000 1.057 173 I HN 0.288 nan 8.210 nan 0.000 0.413 174 E N 1.054 121.100 120.200 -0.257 0.000 2.031 174 E HA -0.189 4.162 4.350 0.001 0.000 0.193 174 E C 2.252 178.703 176.600 -0.248 0.000 0.994 174 E CA 1.214 57.491 56.400 -0.204 0.000 0.800 174 E CB -0.304 29.309 29.700 -0.146 0.000 0.752 174 E HN 0.432 nan 8.360 nan 0.000 0.447 175 R N 0.400 120.716 120.500 -0.308 0.000 2.094 175 R HA -0.158 4.182 4.340 0.001 0.000 0.239 175 R C 2.375 178.146 176.300 -0.881 0.000 1.137 175 R CA 1.602 57.359 56.100 -0.573 0.000 0.943 175 R CB -0.558 29.405 30.300 -0.560 0.000 0.850 175 R HN 0.156 nan 8.270 nan 0.000 0.433 176 A N 0.977 123.458 122.820 -0.564 0.000 1.948 176 A HA -0.195 4.125 4.320 0.001 0.000 0.220 176 A C 2.148 179.643 177.584 -0.148 0.000 1.177 176 A CA 1.484 53.347 52.037 -0.290 0.000 0.636 176 A CB -0.483 18.559 19.000 0.070 0.000 0.815 176 A HN 0.211 nan 8.150 nan 0.000 0.449 177 I N -0.302 120.166 120.570 -0.170 0.000 2.286 177 I HA -0.235 3.935 4.170 0.001 0.000 0.248 177 I C 2.793 178.884 176.117 -0.043 0.000 1.115 177 I CA 1.270 62.518 61.300 -0.087 0.000 1.392 177 I CB -0.157 37.781 38.000 -0.104 0.000 1.065 177 I HN 0.325 nan 8.210 nan 0.000 0.418 178 A N -0.611 122.156 122.820 -0.088 0.000 2.015 178 A HA -0.180 4.141 4.320 0.001 0.000 0.219 178 A C 2.054 179.742 177.584 0.173 0.000 1.163 178 A CA 1.286 53.330 52.037 0.011 0.000 0.646 178 A CB -0.727 18.266 19.000 -0.013 0.000 0.806 178 A HN 0.411 nan 8.150 nan 0.000 0.448 179 Y N -0.183 120.130 120.300 0.022 0.000 2.286 179 Y HA -0.058 4.492 4.550 0.001 0.000 0.293 179 Y C 2.581 178.504 175.900 0.037 0.000 1.124 179 Y CA 0.465 58.583 58.100 0.031 0.000 1.178 179 Y CB -1.187 37.298 38.460 0.041 0.000 1.010 179 Y HN 0.105 nan 8.280 nan 0.000 0.536 180 V N 0.523 120.550 119.914 0.188 0.000 2.407 180 V HA -0.237 3.883 4.120 0.001 0.000 0.248 180 V C 2.050 178.198 176.094 0.092 0.000 1.055 180 V CA 1.856 64.229 62.300 0.121 0.000 1.049 180 V CB -0.655 31.222 31.823 0.089 0.000 0.662 180 V HN 0.380 nan 8.190 nan 0.000 0.455 181 E N 1.337 121.586 120.200 0.082 0.000 2.085 181 E HA -0.209 4.142 4.350 0.001 0.000 0.194 181 E C 2.270 178.910 176.600 0.067 0.000 0.994 181 E CA 1.511 57.948 56.400 0.061 0.000 0.801 181 E CB -0.382 29.348 29.700 0.049 0.000 0.743 181 E HN 0.605 nan 8.360 nan 0.000 0.453 182 A N 0.312 123.185 122.820 0.087 0.000 2.216 182 A HA 0.113 4.433 4.320 0.001 0.000 0.214 182 A C 1.836 179.455 177.584 0.060 0.000 1.160 182 A CA 1.338 53.417 52.037 0.069 0.000 0.725 182 A CB -0.193 18.850 19.000 0.072 0.000 0.784 182 A HN 0.419 nan 8.150 nan 0.000 0.472 183 G N -2.751 106.092 108.800 0.071 0.000 2.260 183 G HA2 0.218 4.178 3.960 0.001 0.000 0.179 183 G HA3 0.218 4.178 3.960 0.001 0.000 0.179 183 G C 0.408 175.353 174.900 0.075 0.000 1.002 183 G CA 0.002 45.142 45.100 0.066 0.000 0.677 183 G HN 1.479 nan 8.290 nan 0.000 0.486 184 A N 0.656 123.528 122.820 0.086 0.000 2.565 184 A HA 0.449 4.769 4.320 0.001 0.000 0.237 184 A C 1.178 178.819 177.584 0.095 0.000 1.053 184 A CA 1.183 53.275 52.037 0.092 0.000 0.755 184 A CB 0.222 19.296 19.000 0.123 0.000 0.980 184 A HN 0.244 nan 8.150 nan 0.000 0.506 185 D N 1.278 121.730 120.400 0.086 0.000 2.240 185 D HA 0.116 4.757 4.640 0.001 0.000 0.206 185 D C 0.415 176.773 176.300 0.096 0.000 0.963 185 D CA 1.287 55.338 54.000 0.085 0.000 0.863 185 D CB 0.146 40.991 40.800 0.076 0.000 0.973 185 D HN 0.657 nan 8.370 nan 0.000 0.501 186 M N 0.168 119.831 119.600 0.106 0.000 2.622 186 M HA 0.359 4.839 4.480 0.001 0.000 0.276 186 M C -1.406 174.977 176.300 0.139 0.000 1.265 186 M CA -0.710 54.661 55.300 0.118 0.000 0.850 186 M CB 3.418 36.090 32.600 0.121 0.000 1.720 186 M HN -0.339 nan 8.290 nan 0.000 0.465 187 I N 1.480 122.137 120.570 0.145 0.000 2.509 187 I HA 0.424 4.594 4.170 0.001 0.000 0.293 187 I C -1.406 174.803 176.117 0.153 0.000 1.020 187 I CA -0.298 61.102 61.300 0.166 0.000 1.088 187 I CB 1.845 39.972 38.000 0.211 0.000 1.267 187 I HN 0.707 nan 8.210 nan 0.000 0.430 188 F N 8.368 128.277 119.950 -0.069 0.000 2.443 188 F HA 0.468 4.996 4.527 0.001 0.000 0.369 188 F C -2.436 173.257 175.800 -0.179 0.000 1.090 188 F CA -2.162 55.750 58.000 -0.146 0.000 1.129 188 F CB 1.693 40.564 39.000 -0.215 0.000 1.367 188 F HN 0.192 nan 8.300 nan 0.000 0.465 189 P HA 0.123 nan 4.420 nan 0.000 0.291 189 P C -0.648 176.565 177.300 -0.146 0.000 1.340 189 P CA -0.004 62.922 63.100 -0.290 0.000 0.799 189 P CB 1.304 32.478 31.700 -0.877 0.000 0.917 190 E N 3.022 123.091 120.200 -0.218 0.000 2.366 190 E HA 0.302 4.652 4.350 0.001 0.000 0.266 190 E C 0.414 176.965 176.600 -0.082 0.000 1.051 190 E CA 0.025 56.337 56.400 -0.147 0.000 0.884 190 E CB 0.634 30.190 29.700 -0.240 0.000 1.006 190 E HN 0.577 nan 8.360 nan 0.000 0.417 191 A N 3.923 126.733 122.820 -0.016 0.000 2.183 191 A HA -0.181 4.140 4.320 0.001 0.000 0.278 191 A C -0.053 177.495 177.584 -0.060 0.000 1.404 191 A CA 0.603 52.632 52.037 -0.014 0.000 0.737 191 A CB -1.254 17.736 19.000 -0.017 0.000 1.172 191 A HN 0.324 nan 8.150 nan 0.000 0.338 192 M N 0.640 120.178 119.600 -0.105 0.000 2.264 192 M HA 0.333 4.813 4.480 0.001 0.000 0.352 192 M C 1.106 177.400 176.300 -0.011 0.000 1.173 192 M CA -0.223 54.948 55.300 -0.216 0.000 1.075 192 M CB 1.419 33.556 32.600 -0.771 0.000 1.621 192 M HN 0.472 nan 8.290 nan 0.000 0.457 193 K N 0.286 120.692 120.400 0.009 0.000 2.276 193 K HA 0.087 4.408 4.320 0.001 0.000 0.198 193 K C 0.773 177.498 176.600 0.208 0.000 1.052 193 K CA 0.508 56.858 56.287 0.106 0.000 0.984 193 K CB 0.072 32.604 32.500 0.053 0.000 0.836 193 K HN 0.811 nan 8.250 nan 0.000 0.490 194 T N -2.172 112.444 114.554 0.104 0.000 2.930 194 T HA 0.346 4.697 4.350 0.001 0.000 0.290 194 T C 0.658 175.326 174.700 -0.054 0.000 1.052 194 T CA -0.861 61.291 62.100 0.087 0.000 1.017 194 T CB 1.289 70.183 68.868 0.042 0.000 1.137 194 T HN -0.164 nan 8.240 nan 0.000 0.511 195 L N 0.770 121.898 121.223 -0.158 0.000 2.265 195 L HA 0.029 4.369 4.340 0.001 0.000 0.215 195 L C 2.183 179.028 176.870 -0.043 0.000 1.117 195 L CA 1.590 56.308 54.840 -0.203 0.000 0.782 195 L CB -0.797 41.127 42.059 -0.226 0.000 0.914 195 L HN 0.840 nan 8.230 nan 0.000 0.441 196 D N -0.865 119.518 120.400 -0.027 0.000 2.117 196 D HA -0.173 4.467 4.640 0.001 0.000 0.198 196 D C 1.695 177.998 176.300 0.006 0.000 0.982 196 D CA 0.880 54.877 54.000 -0.005 0.000 0.828 196 D CB 0.109 40.906 40.800 -0.005 0.000 0.967 196 D HN 0.229 nan 8.370 nan 0.000 0.464 197 D N -0.693 119.689 120.400 -0.030 0.000 2.133 197 D HA -0.214 4.427 4.640 0.001 0.000 0.192 197 D C 1.861 178.148 176.300 -0.021 0.000 1.001 197 D CA 1.087 55.052 54.000 -0.059 0.000 0.844 197 D CB -0.493 40.206 40.800 -0.168 0.000 0.944 197 D HN 0.371 nan 8.370 nan 0.000 0.447 198 Y N 0.364 120.656 120.300 -0.014 0.000 2.145 198 Y HA -0.146 4.405 4.550 0.001 0.000 0.286 198 Y C 2.496 178.416 175.900 0.032 0.000 1.145 198 Y CA 1.097 59.187 58.100 -0.018 0.000 1.148 198 Y CB -0.418 37.968 38.460 -0.123 0.000 0.981 198 Y HN -0.136 nan 8.280 nan 0.000 0.507 199 R N 1.095 121.686 120.500 0.152 0.000 2.094 199 R HA -0.183 4.157 4.340 0.001 0.000 0.239 199 R C 2.109 178.460 176.300 0.085 0.000 1.137 199 R CA 1.901 58.052 56.100 0.084 0.000 0.943 199 R CB -0.508 29.813 30.300 0.035 0.000 0.850 199 R HN 0.249 nan 8.270 nan 0.000 0.433 200 R N -1.219 119.327 120.500 0.076 0.000 2.073 200 R HA -0.101 4.240 4.340 0.001 0.000 0.234 200 R C 2.362 178.694 176.300 0.055 0.000 1.134 200 R CA 1.803 57.926 56.100 0.040 0.000 0.952 200 R CB -0.583 29.725 30.300 0.013 0.000 0.850 200 R HN 0.240 nan 8.270 nan 0.000 0.433 201 F N 1.699 121.644 119.950 -0.009 0.000 2.075 201 F HA -0.255 4.272 4.527 0.001 0.000 0.297 201 F C 2.561 178.371 175.800 0.016 0.000 1.113 201 F CA 1.437 59.435 58.000 -0.003 0.000 1.218 201 F CB 0.029 39.029 39.000 -0.000 0.000 0.984 201 F HN -0.171 nan 8.300 nan 0.000 0.472 202 K N 0.660 121.241 120.400 0.302 0.000 2.074 202 K HA -0.265 4.056 4.320 0.001 0.000 0.209 202 K C 1.994 178.652 176.600 0.097 0.000 1.048 202 K CA 1.897 58.292 56.287 0.180 0.000 0.926 202 K CB -0.476 32.095 32.500 0.118 0.000 0.713 202 K HN 0.285 nan 8.250 nan 0.000 0.444 203 E N 0.255 120.493 120.200 0.063 0.000 2.058 203 E HA -0.126 4.224 4.350 0.001 0.000 0.194 203 E C 1.671 178.267 176.600 -0.007 0.000 0.997 203 E CA 1.803 58.215 56.400 0.020 0.000 0.801 203 E CB -0.282 29.422 29.700 0.007 0.000 0.746 203 E HN 0.278 nan 8.360 nan 0.000 0.450 204 A N 0.148 122.944 122.820 -0.040 0.000 1.872 204 A HA -0.068 4.253 4.320 0.001 0.000 0.214 204 A C 2.450 179.994 177.584 -0.067 0.000 1.187 204 A CA 1.924 53.905 52.037 -0.093 0.000 0.614 204 A CB -0.823 18.053 19.000 -0.207 0.000 0.826 204 A HN 0.390 nan 8.150 nan 0.000 0.442 205 V N -3.733 116.165 119.914 -0.027 0.000 3.052 205 V HA 0.049 4.170 4.120 0.001 0.000 0.254 205 V C 0.967 177.091 176.094 0.050 0.000 1.100 205 V CA 1.343 63.657 62.300 0.024 0.000 1.112 205 V CB -0.719 31.179 31.823 0.125 0.000 0.738 205 V HN 0.583 nan 8.190 nan 0.000 0.469 206 K N -0.177 120.255 120.400 0.052 0.000 3.363 206 K HA -0.184 4.136 4.320 0.001 0.000 0.313 206 K C 0.418 177.051 176.600 0.056 0.000 1.259 206 K CA 1.167 57.481 56.287 0.045 0.000 0.942 206 K CB -2.783 29.733 32.500 0.026 0.000 1.229 206 K HN 0.902 nan 8.250 nan 0.000 0.440 207 V N -2.820 117.141 119.914 0.078 0.000 3.096 207 V HA 0.601 4.721 4.120 0.001 0.000 0.319 207 V C -2.429 173.714 176.094 0.081 0.000 1.103 207 V CA -2.644 59.702 62.300 0.077 0.000 1.016 207 V CB 1.366 33.243 31.823 0.089 0.000 1.090 207 V HN -0.228 nan 8.190 nan 0.000 0.449 208 P HA 0.227 nan 4.420 nan 0.000 0.266 208 P C -0.797 176.543 177.300 0.066 0.000 1.193 208 P CA 0.370 63.503 63.100 0.055 0.000 0.770 208 P CB 0.211 31.943 31.700 0.053 0.000 0.836 209 I N 2.935 123.527 120.570 0.037 0.000 2.545 209 I HA 0.383 4.554 4.170 0.001 0.000 0.292 209 I C -0.221 175.872 176.117 -0.040 0.000 1.040 209 I CA -0.744 60.573 61.300 0.028 0.000 1.068 209 I CB 1.932 39.968 38.000 0.060 0.000 1.251 209 I HN 0.276 nan 8.210 nan 0.000 0.424 210 L N 5.548 126.736 121.223 -0.057 0.000 2.334 210 L HA 0.811 5.152 4.340 0.001 0.000 0.276 210 L C -0.398 176.366 176.870 -0.176 0.000 1.014 210 L CA -0.378 54.348 54.840 -0.189 0.000 0.815 210 L CB 1.698 43.553 42.059 -0.340 0.000 1.268 210 L HN 0.712 nan 8.230 nan 0.000 0.428 211 A N 3.382 126.030 122.820 -0.288 0.000 2.287 211 A HA 0.409 4.730 4.320 0.001 0.000 0.317 211 A C -0.807 176.625 177.584 -0.254 0.000 1.220 211 A CA -0.631 51.268 52.037 -0.230 0.000 0.835 211 A CB 0.569 19.249 19.000 -0.534 0.000 1.180 211 A HN 0.696 nan 8.150 nan 0.000 0.500 212 N N 2.868 121.513 118.700 -0.092 0.000 2.482 212 N HA 0.244 4.984 4.740 0.001 0.000 0.242 212 N C -0.829 174.617 175.510 -0.108 0.000 1.100 212 N CA -0.138 52.819 53.050 -0.155 0.000 0.946 212 N CB 0.040 38.593 38.487 0.110 0.000 1.227 212 N HN 0.587 nan 8.380 nan 0.000 0.508 213 L N 2.517 123.584 121.223 -0.260 0.000 2.375 213 L HA 0.193 4.534 4.340 0.001 0.000 0.276 213 L C 0.929 177.697 176.870 -0.171 0.000 1.162 213 L CA -0.211 54.484 54.840 -0.241 0.000 0.991 213 L CB 0.166 41.967 42.059 -0.429 0.000 1.315 213 L HN 0.305 nan 8.230 nan 0.000 0.431 214 T N 2.238 116.734 114.554 -0.097 0.000 2.824 214 T HA 0.293 4.643 4.350 0.001 0.000 0.280 214 T C -0.062 174.591 174.700 -0.079 0.000 0.995 214 T CA -0.802 61.266 62.100 -0.054 0.000 1.009 214 T CB 0.782 69.657 68.868 0.012 0.000 0.955 214 T HN 0.552 nan 8.240 nan 0.000 0.452 215 E N 3.762 123.906 120.200 -0.095 0.000 2.319 215 E HA 0.209 4.559 4.350 0.001 0.000 0.268 215 E C -0.209 176.330 176.600 -0.101 0.000 1.050 215 E CA -0.626 55.640 56.400 -0.224 0.000 0.878 215 E CB 0.315 29.793 29.700 -0.369 0.000 1.066 215 E HN 0.753 nan 8.360 nan 0.000 0.406 216 F N -0.777 119.153 119.950 -0.032 0.000 3.006 216 F HA -0.206 4.321 4.527 0.001 0.000 0.289 216 F C 0.928 176.719 175.800 -0.015 0.000 0.772 216 F CA 1.180 59.168 58.000 -0.021 0.000 1.162 216 F CB -1.757 37.235 39.000 -0.014 0.000 1.382 216 F HN 0.698 nan 8.300 nan 0.000 0.406 217 G N -0.630 108.215 108.800 0.075 0.000 2.641 217 G HA2 0.512 4.472 3.960 0.001 0.000 0.239 217 G HA3 0.512 4.472 3.960 0.001 0.000 0.239 217 G C 0.848 175.760 174.900 0.021 0.000 1.402 217 G CA 0.236 45.367 45.100 0.052 0.000 1.046 217 G HN 0.150 nan 8.290 nan 0.000 0.565 218 S N -0.705 115.002 115.700 0.012 0.000 2.412 218 S HA 0.064 4.534 4.470 0.001 0.000 0.223 218 S C 1.142 175.728 174.600 -0.022 0.000 1.048 218 S CA 0.418 58.620 58.200 0.002 0.000 0.954 218 S CB -0.261 62.946 63.200 0.013 0.000 0.840 218 S HN 0.574 nan 8.310 nan 0.000 0.503 219 T N 5.164 119.706 114.554 -0.020 0.000 2.709 219 T HA 0.090 4.440 4.350 0.001 0.000 0.269 219 T C -2.404 172.166 174.700 -0.215 0.000 1.008 219 T CA -0.437 61.630 62.100 -0.054 0.000 1.194 219 T CB -0.279 68.585 68.868 -0.008 0.000 0.986 219 T HN 0.164 nan 8.240 nan 0.000 0.508 220 P HA 0.166 nan 4.420 nan 0.000 0.270 220 P C -0.119 176.680 177.300 -0.835 0.000 1.223 220 P CA -0.492 62.270 63.100 -0.563 0.000 0.785 220 P CB 0.439 31.796 31.700 -0.572 0.000 0.923 221 L N 2.439 123.348 121.223 -0.522 0.000 2.399 221 L HA 0.242 4.582 4.340 0.001 0.000 0.257 221 L C 0.141 176.827 176.870 -0.306 0.000 1.236 221 L CA -0.404 54.212 54.840 -0.374 0.000 1.144 221 L CB -1.208 40.730 42.059 -0.202 0.000 1.379 221 L HN 0.284 nan 8.230 nan 0.000 0.414 222 F N 0.315 120.242 119.950 -0.038 0.000 2.553 222 F HA 0.059 4.586 4.527 0.001 0.000 0.356 222 F C 1.639 177.420 175.800 -0.031 0.000 1.142 222 F CA -0.342 57.636 58.000 -0.037 0.000 1.322 222 F CB 0.327 39.293 39.000 -0.057 0.000 1.126 222 F HN 0.359 nan 8.300 nan 0.000 0.599 223 T N 0.481 115.140 114.554 0.176 0.000 2.849 223 T HA 0.226 4.577 4.350 0.001 0.000 0.284 223 T C 1.167 175.917 174.700 0.083 0.000 1.004 223 T CA -0.901 61.263 62.100 0.106 0.000 1.021 223 T CB 1.011 69.923 68.868 0.073 0.000 1.013 223 T HN 0.675 nan 8.240 nan 0.000 0.527 224 L N 0.297 121.564 121.223 0.074 0.000 2.043 224 L HA -0.151 4.190 4.340 0.001 0.000 0.212 224 L C 2.390 179.266 176.870 0.009 0.000 1.075 224 L CA 1.881 56.747 54.840 0.045 0.000 0.752 224 L CB -0.515 41.575 42.059 0.052 0.000 0.891 224 L HN 0.777 nan 8.230 nan 0.000 0.432 225 D N -0.247 120.161 120.400 0.013 0.000 2.084 225 D HA -0.195 4.445 4.640 0.001 0.000 0.194 225 D C 2.062 178.353 176.300 -0.015 0.000 0.990 225 D CA 1.199 55.199 54.000 -0.001 0.000 0.826 225 D CB -0.072 40.732 40.800 0.006 0.000 0.971 225 D HN 0.363 nan 8.370 nan 0.000 0.453 226 E N 0.189 120.390 120.200 0.001 0.000 2.086 226 E HA -0.186 4.164 4.350 0.001 0.000 0.200 226 E C 2.383 178.923 176.600 -0.099 0.000 1.012 226 E CA 0.723 57.109 56.400 -0.023 0.000 0.812 226 E CB -0.170 29.556 29.700 0.044 0.000 0.743 226 E HN 0.291 nan 8.360 nan 0.000 0.453 227 L N 0.762 121.919 121.223 -0.109 0.000 2.093 227 L HA -0.162 4.178 4.340 0.001 0.000 0.208 227 L C 2.655 179.440 176.870 -0.141 0.000 1.085 227 L CA 1.042 55.768 54.840 -0.191 0.000 0.755 227 L CB -0.372 41.564 42.059 -0.205 0.000 0.904 227 L HN 0.067 nan 8.230 nan 0.000 0.435 228 K N 0.560 120.908 120.400 -0.086 0.000 2.057 228 K HA -0.156 4.164 4.320 0.001 0.000 0.207 228 K C 2.015 178.580 176.600 -0.059 0.000 1.049 228 K CA 1.497 57.745 56.287 -0.065 0.000 0.931 228 K CB -0.295 32.180 32.500 -0.041 0.000 0.714 228 K HN 0.328 nan 8.250 nan 0.000 0.440 229 G N -0.026 108.740 108.800 -0.056 0.000 2.443 229 G HA2 -0.171 3.790 3.960 0.001 0.000 0.219 229 G HA3 -0.171 3.790 3.960 0.001 0.000 0.219 229 G C 1.304 176.172 174.900 -0.053 0.000 1.131 229 G CA 0.720 45.792 45.100 -0.046 0.000 0.775 229 G HN 0.414 nan 8.290 nan 0.000 0.547 230 A N -0.348 122.423 122.820 -0.081 0.000 2.275 230 A HA 0.346 4.666 4.320 0.001 0.000 0.212 230 A C 1.105 178.659 177.584 -0.050 0.000 1.201 230 A CA 0.690 52.684 52.037 -0.071 0.000 0.843 230 A CB -0.420 18.510 19.000 -0.115 0.000 0.873 230 A HN 0.393 nan 8.150 nan 0.000 0.492 231 N N -2.007 116.659 118.700 -0.057 0.000 2.850 231 N HA -0.141 4.599 4.740 0.001 0.000 0.249 231 N C -0.421 175.059 175.510 -0.050 0.000 1.060 231 N CA 0.522 53.548 53.050 -0.039 0.000 0.825 231 N CB -1.390 37.091 38.487 -0.009 0.000 1.132 231 N HN 0.218 nan 8.380 nan 0.000 0.564 232 V N 0.575 120.424 119.914 -0.108 0.000 2.740 232 V HA -0.002 4.119 4.120 0.001 0.000 0.303 232 V C 1.088 177.111 176.094 -0.118 0.000 1.054 232 V CA 0.770 62.979 62.300 -0.152 0.000 1.106 232 V CB 1.285 32.916 31.823 -0.320 0.000 0.957 232 V HN 0.195 nan 8.190 nan 0.000 0.486 233 D N 2.741 123.082 120.400 -0.098 0.000 2.338 233 D HA 0.291 4.932 4.640 0.001 0.000 0.208 233 D C 0.007 176.245 176.300 -0.103 0.000 0.997 233 D CA 0.570 54.522 54.000 -0.081 0.000 0.880 233 D CB 0.429 41.200 40.800 -0.049 0.000 0.980 233 D HN 0.461 nan 8.370 nan 0.000 0.509 234 I N 0.629 121.120 120.570 -0.133 0.000 2.534 234 I HA 0.452 4.623 4.170 0.001 0.000 0.288 234 I C -1.203 174.787 176.117 -0.211 0.000 1.077 234 I CA -1.060 60.151 61.300 -0.148 0.000 1.051 234 I CB 2.255 40.178 38.000 -0.130 0.000 1.234 234 I HN -0.171 nan 8.210 nan 0.000 0.425 235 A N 6.744 129.452 122.820 -0.187 0.000 2.249 235 A HA 0.741 5.062 4.320 0.001 0.000 0.314 235 A C -1.118 176.231 177.584 -0.391 0.000 1.290 235 A CA -0.382 51.475 52.037 -0.300 0.000 0.893 235 A CB 0.835 19.723 19.000 -0.186 0.000 1.165 235 A HN 0.591 nan 8.150 nan 0.000 0.530 236 L N 3.474 124.357 121.223 -0.567 0.000 2.298 236 L HA 0.605 4.945 4.340 0.001 0.000 0.284 236 L C -1.625 174.880 176.870 -0.609 0.000 1.013 236 L CA -0.291 54.236 54.840 -0.523 0.000 0.824 236 L CB 0.651 42.347 42.059 -0.605 0.000 1.221 236 L HN 0.574 nan 8.230 nan 0.000 0.418 237 Y N 4.554 124.715 120.300 -0.231 0.000 2.804 237 Y HA 0.232 4.783 4.550 0.001 0.000 0.330 237 Y C 1.407 177.219 175.900 -0.146 0.000 1.092 237 Y CA -0.733 57.264 58.100 -0.171 0.000 1.315 237 Y CB 0.390 38.756 38.460 -0.156 0.000 1.188 237 Y HN 0.792 nan 8.280 nan 0.000 0.512 238 C N -2.749 116.524 119.300 -0.045 0.000 2.533 238 C HA 0.102 4.563 4.460 0.001 0.000 0.272 238 C C 1.529 176.657 174.990 0.231 0.000 1.371 238 C CA 0.207 59.258 59.018 0.055 0.000 1.758 238 C CB -0.958 26.769 27.740 -0.022 0.000 1.972 238 C HN 0.819 nan 8.230 nan 0.000 0.522 239 C N 0.473 119.835 119.300 0.105 0.000 3.730 239 C HA 0.398 4.859 4.460 0.001 0.000 0.397 239 C C 2.867 177.699 174.990 -0.263 0.000 1.468 239 C CA 0.230 59.226 59.018 -0.036 0.000 1.931 239 C CB -0.932 26.759 27.740 -0.082 0.000 2.773 239 C HN 0.685 nan 8.230 nan 0.000 0.692 240 G N 2.041 110.783 108.800 -0.096 0.000 2.599 240 G HA2 -0.224 3.736 3.960 0.001 0.000 0.219 240 G HA3 -0.224 3.736 3.960 0.001 0.000 0.219 240 G C 1.880 176.725 174.900 -0.093 0.000 1.193 240 G CA 1.759 46.805 45.100 -0.090 0.000 0.778 240 G HN 0.612 nan 8.290 nan 0.000 0.589 241 A N 0.726 123.530 122.820 -0.027 0.000 1.894 241 A HA -0.221 4.099 4.320 0.001 0.000 0.220 241 A C 2.327 179.954 177.584 0.071 0.000 1.237 241 A CA 2.510 54.562 52.037 0.025 0.000 0.660 241 A CB -1.064 17.971 19.000 0.057 0.000 0.835 241 A HN 1.054 nan 8.150 nan 0.000 0.461 242 Y N -1.179 119.156 120.300 0.058 0.000 2.395 242 Y HA 0.099 4.649 4.550 0.001 0.000 0.293 242 Y C 2.220 178.164 175.900 0.073 0.000 1.123 242 Y CA 0.836 58.974 58.100 0.064 0.000 1.227 242 Y CB -0.206 38.295 38.460 0.069 0.000 1.012 242 Y HN 0.172 nan 8.280 nan 0.000 0.552 243 R N 1.155 121.467 120.500 -0.314 0.000 2.073 243 R HA -0.090 4.250 4.340 0.001 0.000 0.234 243 R C 2.663 178.970 176.300 0.012 0.000 1.134 243 R CA 1.250 57.268 56.100 -0.137 0.000 0.952 243 R CB -0.653 29.551 30.300 -0.161 0.000 0.850 243 R HN 0.517 nan 8.270 nan 0.000 0.433 244 A N 2.411 125.234 122.820 0.005 0.000 1.883 244 A HA -0.223 4.097 4.320 0.001 0.000 0.217 244 A C 2.346 179.963 177.584 0.055 0.000 1.186 244 A CA 2.015 54.072 52.037 0.033 0.000 0.624 244 A CB -0.630 18.382 19.000 0.019 0.000 0.822 244 A HN 0.406 nan 8.150 nan 0.000 0.444 245 M N -1.144 118.502 119.600 0.077 0.000 2.175 245 M HA -0.108 4.372 4.480 0.001 0.000 0.264 245 M C 1.596 177.953 176.300 0.095 0.000 1.063 245 M CA 2.253 57.604 55.300 0.085 0.000 1.119 245 M CB -1.051 31.609 32.600 0.101 0.000 1.377 245 M HN 0.416 nan 8.290 nan 0.000 0.415 246 N N 0.934 119.714 118.700 0.133 0.000 2.166 246 N HA -0.118 4.622 4.740 0.001 0.000 0.186 246 N C 1.951 177.527 175.510 0.110 0.000 1.019 246 N CA 1.048 54.182 53.050 0.140 0.000 0.856 246 N CB -0.053 38.541 38.487 0.178 0.000 0.993 246 N HN 0.381 nan 8.380 nan 0.000 0.426 247 K N 0.998 121.451 120.400 0.088 0.000 2.025 247 K HA -0.053 4.267 4.320 0.001 0.000 0.207 247 K C 2.063 178.702 176.600 0.065 0.000 1.049 247 K CA 1.040 57.372 56.287 0.074 0.000 0.933 247 K CB -0.135 32.403 32.500 0.064 0.000 0.714 247 K HN 0.115 nan 8.250 nan 0.000 0.438 248 A N 1.137 123.989 122.820 0.052 0.000 1.940 248 A HA -0.164 4.156 4.320 0.001 0.000 0.219 248 A C 2.274 179.866 177.584 0.013 0.000 1.176 248 A CA 2.066 54.124 52.037 0.035 0.000 0.631 248 A CB -0.553 18.461 19.000 0.024 0.000 0.814 248 A HN 0.431 nan 8.150 nan 0.000 0.446 249 A N -0.466 122.353 122.820 -0.002 0.000 1.873 249 A HA 0.027 4.347 4.320 0.001 0.000 0.215 249 A C 2.124 179.662 177.584 -0.078 0.000 1.186 249 A CA 1.623 53.598 52.037 -0.103 0.000 0.616 249 A CB -0.689 18.311 19.000 -0.000 0.000 0.823 249 A HN 0.790 nan 8.150 nan 0.000 0.442 250 L N 0.995 122.290 121.223 0.121 0.000 2.042 250 L HA -0.220 4.121 4.340 0.001 0.000 0.210 250 L C 2.024 178.981 176.870 0.146 0.000 1.076 250 L CA 2.837 57.808 54.840 0.218 0.000 0.749 250 L CB -0.933 41.224 42.059 0.162 0.000 0.893 250 L HN 0.574 nan 8.230 nan 0.000 0.432 251 N N -0.984 117.768 118.700 0.088 0.000 2.120 251 N HA -0.300 4.441 4.740 0.001 0.000 0.188 251 N C 1.877 177.422 175.510 0.058 0.000 1.024 251 N CA 1.855 54.946 53.050 0.068 0.000 0.852 251 N CB -0.577 37.946 38.487 0.060 0.000 1.003 251 N HN 0.460 nan 8.380 nan 0.000 0.424 252 F N 0.214 120.096 119.950 -0.113 0.000 2.069 252 F HA -0.203 4.325 4.527 0.001 0.000 0.298 252 F C 1.596 177.349 175.800 -0.078 0.000 1.113 252 F CA 1.559 59.465 58.000 -0.156 0.000 1.214 252 F CB -0.768 38.047 39.000 -0.309 0.000 0.978 252 F HN 0.044 nan 8.300 nan 0.000 0.474 253 Y N 1.034 121.346 120.300 0.020 0.000 2.165 253 Y HA -0.210 4.341 4.550 0.001 0.000 0.286 253 Y C 2.562 178.379 175.900 -0.138 0.000 1.155 253 Y CA 1.756 59.803 58.100 -0.087 0.000 1.164 253 Y CB -1.261 37.239 38.460 0.068 0.000 0.978 253 Y HN 0.252 nan 8.280 nan 0.000 0.513 254 E N -0.807 119.442 120.200 0.082 0.000 2.072 254 E HA -0.182 4.168 4.350 0.001 0.000 0.191 254 E C 2.321 178.897 176.600 -0.039 0.000 0.985 254 E CA 1.863 58.278 56.400 0.026 0.000 0.801 254 E CB -0.247 29.477 29.700 0.040 0.000 0.750 254 E HN 0.555 nan 8.360 nan 0.000 0.452 255 T N -1.154 113.352 114.554 -0.081 0.000 2.915 255 T HA -0.082 4.269 4.350 0.001 0.000 0.269 255 T C 1.990 176.601 174.700 -0.148 0.000 1.071 255 T CA 0.931 62.973 62.100 -0.097 0.000 1.132 255 T CB -0.247 68.576 68.868 -0.074 0.000 0.878 255 T HN -0.052 nan 8.240 nan 0.000 0.479 256 V N 1.267 121.028 119.914 -0.256 0.000 2.453 256 V HA 0.045 4.165 4.120 0.001 0.000 0.247 256 V C 3.000 179.023 176.094 -0.118 0.000 1.048 256 V CA 1.626 63.778 62.300 -0.247 0.000 1.049 256 V CB -0.671 30.915 31.823 -0.395 0.000 0.672 256 V HN 0.359 nan 8.190 nan 0.000 0.457 257 R N 0.259 120.710 120.500 -0.082 0.000 2.115 257 R HA -0.030 4.311 4.340 0.001 0.000 0.226 257 R C 2.324 178.604 176.300 -0.034 0.000 1.100 257 R CA 1.408 57.483 56.100 -0.042 0.000 0.980 257 R CB -0.536 29.751 30.300 -0.021 0.000 0.875 257 R HN 0.353 nan 8.270 nan 0.000 0.445 258 R N -0.127 120.351 120.500 -0.037 0.000 2.055 258 R HA -0.038 4.302 4.340 0.001 0.000 0.226 258 R C 0.581 176.865 176.300 -0.027 0.000 1.135 258 R CA 1.729 57.813 56.100 -0.026 0.000 0.959 258 R CB -0.031 30.256 30.300 -0.023 0.000 0.854 258 R HN 0.184 nan 8.270 nan 0.000 0.431 259 D N -1.371 119.007 120.400 -0.037 0.000 2.354 259 D HA 0.097 4.738 4.640 0.001 0.000 0.209 259 D C 1.010 177.293 176.300 -0.028 0.000 1.015 259 D CA 0.956 54.939 54.000 -0.030 0.000 0.867 259 D CB 0.448 41.229 40.800 -0.032 0.000 0.933 259 D HN 0.521 nan 8.370 nan 0.000 0.520 260 G N 0.683 109.462 108.800 -0.034 0.000 2.155 260 G HA2 -0.249 3.711 3.960 0.001 0.000 0.257 260 G HA3 -0.249 3.711 3.960 0.001 0.000 0.257 260 G C 0.516 175.401 174.900 -0.025 0.000 0.983 260 G CA 0.976 46.060 45.100 -0.026 0.000 0.676 260 G HN 0.606 nan 8.290 nan 0.000 0.528 261 T N -1.686 112.846 114.554 -0.037 0.000 2.830 261 T HA 0.505 4.856 4.350 0.001 0.000 0.322 261 T C 0.617 175.285 174.700 -0.054 0.000 1.501 261 T CA 0.581 62.664 62.100 -0.028 0.000 1.036 261 T CB 1.375 70.237 68.868 -0.009 0.000 1.379 261 T HN 0.529 nan 8.240 nan 0.000 0.493 262 Q N 2.420 122.203 119.800 -0.029 0.000 2.280 262 Q HA 0.173 4.513 4.340 0.001 0.000 0.201 262 Q C 1.499 177.518 176.000 0.031 0.000 0.890 262 Q CA 0.068 55.856 55.803 -0.026 0.000 0.947 262 Q CB -0.090 28.703 28.738 0.092 0.000 1.081 262 Q HN 0.802 nan 8.270 nan 0.000 0.502 263 K N 1.641 122.053 120.400 0.020 0.000 2.052 263 K HA -0.229 4.092 4.320 0.001 0.000 0.215 263 K C 1.933 178.550 176.600 0.027 0.000 1.053 263 K CA 2.212 58.514 56.287 0.026 0.000 0.934 263 K CB -0.416 32.092 32.500 0.014 0.000 0.717 263 K HN 0.246 nan 8.250 nan 0.000 0.450 264 A N 0.287 123.116 122.820 0.015 0.000 2.076 264 A HA -0.049 4.272 4.320 0.001 0.000 0.220 264 A C 2.140 179.743 177.584 0.032 0.000 1.160 264 A CA 1.808 53.855 52.037 0.016 0.000 0.653 264 A CB -0.608 18.394 19.000 0.004 0.000 0.801 264 A HN 0.556 nan 8.150 nan 0.000 0.455 265 A N -0.471 122.380 122.820 0.053 0.000 2.238 265 A HA 0.312 4.632 4.320 0.001 0.000 0.210 265 A C 2.016 179.659 177.584 0.098 0.000 1.179 265 A CA 0.882 52.974 52.037 0.092 0.000 0.827 265 A CB -0.673 18.422 19.000 0.157 0.000 0.856 265 A HN 1.076 nan 8.150 nan 0.000 0.488 266 V N -1.680 118.281 119.914 0.078 0.000 2.515 266 V HA -0.038 4.082 4.120 0.001 0.000 0.250 266 V C -0.455 175.664 176.094 0.041 0.000 1.058 266 V CA 1.826 64.163 62.300 0.063 0.000 1.064 266 V CB -1.732 30.122 31.823 0.052 0.000 0.675 266 V HN 0.323 nan 8.190 nan 0.000 0.461 267 P HA -0.114 nan 4.420 nan 0.000 0.220 267 P C 1.671 178.989 177.300 0.031 0.000 1.144 267 P CA 2.195 65.313 63.100 0.029 0.000 0.800 267 P CB -0.431 31.285 31.700 0.026 0.000 0.772 268 T N -5.259 109.317 114.554 0.037 0.000 3.144 268 T HA 0.244 4.594 4.350 0.001 0.000 0.249 268 T C 0.555 175.270 174.700 0.026 0.000 1.089 268 T CA -0.068 62.053 62.100 0.035 0.000 0.989 268 T CB -0.691 68.204 68.868 0.044 0.000 0.992 268 T HN -0.075 nan 8.240 nan 0.000 0.540 269 M N 1.211 120.823 119.600 0.021 0.000 2.598 269 M HA 0.438 4.918 4.480 0.001 0.000 0.317 269 M C -0.199 176.114 176.300 0.021 0.000 1.201 269 M CA -0.903 54.399 55.300 0.004 0.000 0.971 269 M CB 2.118 34.710 32.600 -0.013 0.000 1.657 269 M HN 0.047 nan 8.290 nan 0.000 0.470 270 Q N 1.493 121.311 119.800 0.029 0.000 2.256 270 Q HA 0.270 4.610 4.340 0.001 0.000 0.254 270 Q C -0.254 175.773 176.000 0.045 0.000 0.916 270 Q CA -0.540 55.302 55.803 0.064 0.000 0.932 270 Q CB 1.315 30.120 28.738 0.112 0.000 1.207 270 Q HN 0.795 nan 8.270 nan 0.000 0.426 271 T N 0.968 115.548 114.554 0.043 0.000 2.667 271 T HA 0.128 4.479 4.350 0.001 0.000 0.305 271 T C 0.873 175.566 174.700 -0.012 0.000 1.022 271 T CA -0.102 61.998 62.100 0.002 0.000 0.995 271 T CB 0.814 69.674 68.868 -0.014 0.000 1.026 271 T HN 0.797 nan 8.240 nan 0.000 0.527 272 R N -0.085 120.361 120.500 -0.090 0.000 2.100 272 R HA 0.223 4.563 4.340 0.001 0.000 0.220 272 R C 2.796 178.909 176.300 -0.311 0.000 1.091 272 R CA 1.014 57.001 56.100 -0.189 0.000 0.986 272 R CB -0.766 29.347 30.300 -0.311 0.000 0.888 272 R HN 0.818 nan 8.270 nan 0.000 0.444 273 A N 0.716 123.384 122.820 -0.253 0.000 1.972 273 A HA -0.198 4.123 4.320 0.001 0.000 0.219 273 A C 1.869 179.439 177.584 -0.023 0.000 1.169 273 A CA 1.178 53.100 52.037 -0.191 0.000 0.635 273 A CB -0.265 18.657 19.000 -0.130 0.000 0.810 273 A HN 0.343 nan 8.150 nan 0.000 0.446 274 Q N -0.649 119.168 119.800 0.028 0.000 2.020 274 Q HA -0.010 4.330 4.340 0.001 0.000 0.198 274 Q C 2.146 178.309 176.000 0.273 0.000 0.974 274 Q CA 1.054 56.930 55.803 0.121 0.000 0.829 274 Q CB -0.352 28.493 28.738 0.178 0.000 0.894 274 Q HN 0.647 nan 8.270 nan 0.000 0.433 275 L N 0.123 121.516 121.223 0.284 0.000 2.089 275 L HA -0.263 4.078 4.340 0.001 0.000 0.213 275 L C 2.278 179.423 176.870 0.458 0.000 1.079 275 L CA 1.442 56.491 54.840 0.348 0.000 0.758 275 L CB -0.237 41.961 42.059 0.232 0.000 0.891 275 L HN 0.273 nan 8.230 nan 0.000 0.433 276 Y N -0.231 120.140 120.300 0.119 0.000 2.220 276 Y HA -0.205 4.346 4.550 0.001 0.000 0.291 276 Y C 2.392 178.420 175.900 0.213 0.000 1.129 276 Y CA 0.534 58.721 58.100 0.146 0.000 1.161 276 Y CB -0.884 37.567 38.460 -0.015 0.000 0.997 276 Y HN 0.233 nan 8.280 nan 0.000 0.522 277 D N -0.544 120.017 120.400 0.269 0.000 2.177 277 D HA -0.250 4.391 4.640 0.001 0.000 0.189 277 D C 1.996 178.345 176.300 0.083 0.000 1.002 277 D CA 2.017 56.053 54.000 0.059 0.000 0.845 277 D CB -0.753 39.888 40.800 -0.265 0.000 0.960 277 D HN 0.335 nan 8.370 nan 0.000 0.447 278 Y N 0.044 120.513 120.300 0.281 0.000 2.439 278 Y HA 0.079 4.630 4.550 0.001 0.000 0.292 278 Y C 2.204 178.309 175.900 0.342 0.000 1.130 278 Y CA 0.203 58.469 58.100 0.277 0.000 1.254 278 Y CB -0.236 38.387 38.460 0.272 0.000 1.000 278 Y HN 0.015 nan 8.280 nan 0.000 0.554 279 L N -0.807 120.702 121.223 0.477 0.000 2.599 279 L HA 0.113 4.453 4.340 0.001 0.000 0.230 279 L C 1.500 178.546 176.870 0.292 0.000 1.141 279 L CA 0.740 55.791 54.840 0.352 0.000 0.877 279 L CB -0.540 41.639 42.059 0.200 0.000 1.009 279 L HN 0.485 nan 8.230 nan 0.000 0.447 280 G N -0.560 108.428 108.800 0.312 0.000 2.179 280 G HA2 -0.398 3.562 3.960 0.001 0.000 0.257 280 G HA3 -0.398 3.562 3.960 0.001 0.000 0.257 280 G C 0.617 175.740 174.900 0.372 0.000 1.010 280 G CA 0.759 46.038 45.100 0.298 0.000 0.736 280 G HN 0.510 nan 8.290 nan 0.000 0.513 281 Y N -0.369 120.031 120.300 0.166 0.000 2.151 281 Y HA -0.191 4.360 4.550 0.001 0.000 0.284 281 Y C 2.541 178.440 175.900 -0.002 0.000 1.166 281 Y CA 2.340 60.417 58.100 -0.037 0.000 1.163 281 Y CB -0.066 38.171 38.460 -0.371 0.000 0.974 281 Y HN 0.392 nan 8.280 nan 0.000 0.511 282 Y N -0.818 119.774 120.300 0.486 0.000 2.516 282 Y HA 0.037 4.587 4.550 0.001 0.000 0.291 282 Y C 2.339 178.372 175.900 0.220 0.000 1.131 282 Y CA 0.499 58.814 58.100 0.358 0.000 1.281 282 Y CB -0.491 38.105 38.460 0.227 0.000 1.013 282 Y HN 0.229 nan 8.280 nan 0.000 0.554 283 A N -0.771 122.231 122.820 0.303 0.000 2.015 283 A HA -0.178 4.143 4.320 0.001 0.000 0.219 283 A C 1.617 179.212 177.584 0.019 0.000 1.163 283 A CA 1.254 53.363 52.037 0.121 0.000 0.646 283 A CB -0.942 18.084 19.000 0.042 0.000 0.806 283 A HN 0.496 nan 8.150 nan 0.000 0.448 284 Y N -0.278 120.014 120.300 -0.014 0.000 2.145 284 Y HA -0.176 4.374 4.550 0.001 0.000 0.286 284 Y C 2.454 178.340 175.900 -0.024 0.000 1.145 284 Y CA 1.773 59.830 58.100 -0.071 0.000 1.148 284 Y CB -0.384 37.944 38.460 -0.220 0.000 0.981 284 Y HN 0.406 nan 8.280 nan 0.000 0.507 285 E N 0.009 120.315 120.200 0.177 0.000 2.110 285 E HA -0.245 4.106 4.350 0.001 0.000 0.193 285 E C 1.495 178.171 176.600 0.127 0.000 0.988 285 E CA 1.121 57.614 56.400 0.155 0.000 0.804 285 E CB -0.007 29.818 29.700 0.208 0.000 0.745 285 E HN 0.290 nan 8.360 nan 0.000 0.458 286 E N -0.179 120.092 120.200 0.119 0.000 2.512 286 E HA -0.082 4.268 4.350 0.001 0.000 0.195 286 E C 1.214 177.820 176.600 0.009 0.000 1.083 286 E CA 0.496 56.939 56.400 0.072 0.000 0.873 286 E CB 0.231 29.979 29.700 0.081 0.000 0.897 286 E HN -0.020 nan 8.360 nan 0.000 0.514 287 K N -1.103 119.295 120.400 -0.002 0.000 2.344 287 K HA 0.232 4.553 4.320 0.001 0.000 0.200 287 K C 1.545 178.097 176.600 -0.080 0.000 1.132 287 K CA 0.182 56.430 56.287 -0.066 0.000 0.935 287 K CB 0.000 32.447 32.500 -0.088 0.000 1.089 287 K HN 0.068 nan 8.250 nan 0.000 0.496 288 L N 1.514 122.763 121.223 0.043 0.000 2.012 288 L HA -0.231 4.110 4.340 0.001 0.000 0.210 288 L C 2.175 179.095 176.870 0.084 0.000 1.073 288 L CA 1.738 56.679 54.840 0.168 0.000 0.748 288 L CB -0.540 41.670 42.059 0.253 0.000 0.891 288 L HN 0.448 nan 8.230 nan 0.000 0.431 289 D N -0.076 120.358 120.400 0.057 0.000 2.095 289 D HA -0.291 4.349 4.640 0.001 0.000 0.192 289 D C 2.014 178.282 176.300 -0.054 0.000 0.990 289 D CA 1.599 55.618 54.000 0.031 0.000 0.836 289 D CB -0.168 40.657 40.800 0.041 0.000 0.979 289 D HN 0.260 nan 8.370 nan 0.000 0.447 290 Q N -0.159 119.593 119.800 -0.079 0.000 2.325 290 Q HA -0.163 4.177 4.340 0.001 0.000 0.211 290 Q C 2.286 178.150 176.000 -0.228 0.000 0.988 290 Q CA 0.863 56.596 55.803 -0.116 0.000 0.887 290 Q CB -0.053 28.627 28.738 -0.097 0.000 0.915 290 Q HN 0.429 nan 8.270 nan 0.000 0.440 291 L N -1.628 119.338 121.223 -0.429 0.000 2.408 291 L HA 0.073 4.414 4.340 0.001 0.000 0.215 291 L C 0.905 177.244 176.870 -0.884 0.000 1.081 291 L CA 0.413 54.748 54.840 -0.841 0.000 0.840 291 L CB 0.213 41.415 42.059 -1.428 0.000 1.002 291 L HN 0.203 nan 8.230 nan 0.000 0.468 292 F N -2.736 117.219 119.950 0.008 0.000 2.880 292 F HA 0.210 4.737 4.527 0.001 0.000 0.346 292 F C 0.790 176.596 175.800 0.010 0.000 1.054 292 F CA -0.826 57.179 58.000 0.008 0.000 1.151 292 F CB 0.182 39.187 39.000 0.008 0.000 1.066 292 F HN -0.117 nan 8.300 nan 0.000 0.566 293 N N 2.379 121.153 118.700 0.124 0.000 2.483 293 N HA 0.077 4.817 4.740 0.001 0.000 0.264 293 N C -0.772 174.771 175.510 0.054 0.000 1.197 293 N CA 0.590 53.689 53.050 0.081 0.000 0.927 293 N CB 0.444 38.963 38.487 0.053 0.000 1.065 293 N HN 0.290 nan 8.380 nan 0.000 0.461 294 Q N 1.537 121.369 119.800 0.053 0.000 2.558 294 Q HA 0.591 4.932 4.340 0.001 0.000 0.252 294 Q C -0.284 175.734 176.000 0.030 0.000 1.015 294 Q CA -0.797 55.030 55.803 0.039 0.000 0.720 294 Q CB 1.420 30.185 28.738 0.045 0.000 1.215 294 Q HN 0.693 nan 8.270 nan 0.000 0.500 295 G N 0.000 108.814 108.800 0.023 0.000 5.446 295 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 295 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 295 G CA 0.000 45.111 45.100 0.019 0.000 0.502 295 G HN 0.000 nan 8.290 nan 0.000 0.925