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 2ag0_1_B DATA FIRST_RESID 2 DATA SEQUENCE AMITGGELVV RTLIKAGVEH LFGLHGAHID TIFQACLDHD VPIIDTRHEA DATA SEQUENCE AAGHAAEGYA RAGAKLGVAL VTAGGGFTNA VTPIANAWLD RTPVLFLTGS DATA SEQUENCE GALRDDETNT LQAGIDQVAM AAPITKWAHR VMATEHIPRL VMQAIRAALS DATA SEQUENCE APRGPVLLDL PWDILMNQID EDSVIIPDLV LSAHGARPDP ADLDQALALL DATA SEQUENCE RKAERPVIVL GSEASRTARK TALSAFVAAT GVPVFADYEG LSMLSGLPDA DATA SEQUENCE MRGGLVQNLY SFAKADAAPD LVLMLGARFG LNTGHGSGQL IPHSAQVIQV DATA SEQUENCE DPDACELGRL QGIALGIVAD VGGTIEALAQ ATAQDAAWPD RGDWCAKVTD DATA SEQUENCE LAQERYASIA AKSSSEHALH PFHASQVIAK HVDAGVTVVA DGALTYLWLS DATA SEQUENCE EVMSRVKPGG FLCHGYLGSM GVGFGTALGA QVADLEAGRR TILVTGDGSV DATA SEQUENCE GYSIGEFDTL VRKQLPLIVI IMNNQSWGAT LHFQQLAVGP NRVTGTRLEN DATA SEQUENCE GSYHGVAAAF GADGYHVDSV ESFSAALAQA LAHNRPACIN VAVALDPIPP DATA SEQUENCE EELI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.592 177.584 0.013 0.000 1.274 2 A CA 0.000 52.044 52.037 0.012 0.000 0.836 2 A CB 0.000 19.005 19.000 0.009 0.000 0.831 3 M N 2.383 121.990 119.600 0.010 0.000 2.246 3 M HA 0.425 4.906 4.480 0.001 0.000 0.350 3 M C -0.067 176.243 176.300 0.016 0.000 1.406 3 M CA 0.245 55.551 55.300 0.010 0.000 1.089 3 M CB -0.563 32.040 32.600 0.005 0.000 1.782 3 M HN 0.643 nan 8.290 nan 0.000 0.457 4 I N 0.046 120.628 120.570 0.019 0.000 2.934 4 I HA 0.742 4.912 4.170 0.001 0.000 0.306 4 I C 0.214 176.348 176.117 0.028 0.000 1.110 4 I CA -0.917 60.400 61.300 0.028 0.000 1.019 4 I CB 2.318 40.341 38.000 0.038 0.000 1.227 4 I HN 0.638 nan 8.210 nan 0.000 0.434 5 T N 0.518 115.094 114.554 0.037 0.000 2.874 5 T HA 0.392 4.742 4.350 0.001 0.000 0.281 5 T C 1.200 175.925 174.700 0.042 0.000 0.994 5 T CA -0.049 62.074 62.100 0.039 0.000 1.015 5 T CB 1.327 70.226 68.868 0.053 0.000 1.028 5 T HN 0.923 nan 8.240 nan 0.000 0.523 6 G N 0.252 109.077 108.800 0.042 0.000 2.422 6 G HA2 0.003 3.963 3.960 0.001 0.000 0.218 6 G HA3 0.003 3.963 3.960 0.001 0.000 0.218 6 G C 1.545 176.478 174.900 0.056 0.000 1.146 6 G CA 0.578 45.706 45.100 0.046 0.000 0.769 6 G HN 1.030 nan 8.290 nan 0.000 0.547 7 G N 0.394 109.235 108.800 0.069 0.000 2.440 7 G HA2 -0.165 3.795 3.960 0.001 0.000 0.218 7 G HA3 -0.165 3.795 3.960 0.001 0.000 0.218 7 G C 1.629 176.563 174.900 0.055 0.000 1.154 7 G CA 1.047 46.190 45.100 0.072 0.000 0.767 7 G HN 0.347 nan 8.290 nan 0.000 0.552 8 E N 0.324 120.561 120.200 0.060 0.000 2.085 8 E HA -0.074 4.277 4.350 0.001 0.000 0.194 8 E C 2.715 179.330 176.600 0.026 0.000 0.994 8 E CA 0.610 57.045 56.400 0.059 0.000 0.801 8 E CB -0.307 29.438 29.700 0.075 0.000 0.743 8 E HN 0.459 nan 8.360 nan 0.000 0.453 9 L N 0.062 121.303 121.223 0.029 0.000 2.046 9 L HA -0.188 4.153 4.340 0.001 0.000 0.208 9 L C 2.587 179.462 176.870 0.009 0.000 1.077 9 L CA 0.717 55.569 54.840 0.020 0.000 0.747 9 L CB -0.510 41.567 42.059 0.031 0.000 0.896 9 L HN -0.002 nan 8.230 nan 0.000 0.432 10 V N -0.605 119.319 119.914 0.016 0.000 2.252 10 V HA -0.293 3.827 4.120 0.001 0.000 0.249 10 V C 2.388 178.466 176.094 -0.026 0.000 1.056 10 V CA 1.875 64.180 62.300 0.009 0.000 1.022 10 V CB -0.402 31.432 31.823 0.020 0.000 0.641 10 V HN 0.209 nan 8.190 nan 0.000 0.445 11 V N -0.336 119.549 119.914 -0.049 0.000 2.358 11 V HA -0.210 3.910 4.120 0.001 0.000 0.246 11 V C 2.560 178.548 176.094 -0.177 0.000 1.047 11 V CA 1.888 64.122 62.300 -0.109 0.000 1.035 11 V CB -0.796 30.963 31.823 -0.108 0.000 0.658 11 V HN 0.466 nan 8.190 nan 0.000 0.452 12 R N -0.138 120.260 120.500 -0.170 0.000 2.127 12 R HA -0.141 4.200 4.340 0.001 0.000 0.238 12 R C 2.316 178.558 176.300 -0.096 0.000 1.134 12 R CA 1.909 57.907 56.100 -0.170 0.000 0.975 12 R CB -0.638 29.605 30.300 -0.095 0.000 0.865 12 R HN 0.525 nan 8.270 nan 0.000 0.447 13 T N 1.428 115.947 114.554 -0.057 0.000 2.812 13 T HA -0.007 4.343 4.350 0.001 0.000 0.264 13 T C 1.921 176.602 174.700 -0.033 0.000 1.042 13 T CA 0.766 62.849 62.100 -0.028 0.000 1.140 13 T CB -0.076 68.791 68.868 -0.001 0.000 0.870 13 T HN 0.113 nan 8.240 nan 0.000 0.445 14 L N 0.377 121.572 121.223 -0.046 0.000 2.046 14 L HA -0.058 4.282 4.340 0.001 0.000 0.208 14 L C 2.464 179.300 176.870 -0.056 0.000 1.077 14 L CA 1.283 56.095 54.840 -0.046 0.000 0.747 14 L CB -0.655 41.368 42.059 -0.060 0.000 0.896 14 L HN 0.247 nan 8.230 nan 0.000 0.432 15 I N -0.089 120.428 120.570 -0.088 0.000 2.179 15 I HA -0.313 3.858 4.170 0.001 0.000 0.242 15 I C 2.608 178.695 176.117 -0.051 0.000 1.088 15 I CA 1.391 62.639 61.300 -0.085 0.000 1.357 15 I CB -0.233 37.687 38.000 -0.133 0.000 1.051 15 I HN 0.172 nan 8.210 nan 0.000 0.409 16 K N 0.867 121.239 120.400 -0.046 0.000 2.280 16 K HA -0.110 4.211 4.320 0.001 0.000 0.202 16 K C 1.863 178.454 176.600 -0.016 0.000 1.047 16 K CA 1.200 57.472 56.287 -0.026 0.000 0.942 16 K CB -0.039 32.448 32.500 -0.022 0.000 0.739 16 K HN 0.345 nan 8.250 nan 0.000 0.457 17 A N -0.539 122.272 122.820 -0.015 0.000 2.208 17 A HA 0.214 4.534 4.320 0.001 0.000 0.209 17 A C 1.326 178.910 177.584 0.001 0.000 1.161 17 A CA 0.771 52.805 52.037 -0.004 0.000 0.782 17 A CB -0.191 18.811 19.000 0.002 0.000 0.816 17 A HN 0.438 nan 8.150 nan 0.000 0.477 18 G N -0.994 107.803 108.800 -0.005 0.000 2.141 18 G HA2 -0.108 3.852 3.960 0.001 0.000 0.231 18 G HA3 -0.108 3.852 3.960 0.001 0.000 0.231 18 G C 0.435 175.344 174.900 0.015 0.000 0.984 18 G CA 0.445 45.548 45.100 0.003 0.000 0.660 18 G HN 1.786 nan 8.290 nan 0.000 0.525 19 V N -1.488 118.428 119.914 0.004 0.000 2.614 19 V HA 0.751 4.871 4.120 0.001 0.000 0.291 19 V C 0.789 176.860 176.094 -0.038 0.000 1.049 19 V CA 0.876 63.184 62.300 0.013 0.000 1.038 19 V CB 1.509 33.332 31.823 -0.000 0.000 0.980 19 V HN 0.339 nan 8.190 nan 0.000 0.481 20 E N 2.697 122.878 120.200 -0.031 0.000 2.539 20 E HA 0.284 4.635 4.350 0.001 0.000 0.215 20 E C -0.784 175.488 176.600 -0.547 0.000 0.965 20 E CA -0.036 56.235 56.400 -0.215 0.000 1.019 20 E CB 0.567 30.175 29.700 -0.154 0.000 1.059 20 E HN 0.982 nan 8.360 nan 0.000 0.496 21 H N -0.848 118.105 119.070 -0.194 0.000 2.974 21 H HA 0.425 4.982 4.556 0.001 0.000 0.366 21 H C -1.380 173.646 175.328 -0.504 0.000 1.155 21 H CA -0.667 55.137 56.048 -0.407 0.000 1.186 21 H CB 1.487 30.897 29.762 -0.588 0.000 1.799 21 H HN -0.148 nan 8.280 nan 0.000 0.541 22 L N 1.845 122.798 121.223 -0.450 0.000 2.323 22 L HA 0.561 4.901 4.340 0.001 0.000 0.265 22 L C -1.192 175.285 176.870 -0.656 0.000 1.012 22 L CA -0.431 54.159 54.840 -0.416 0.000 0.820 22 L CB 1.240 43.128 42.059 -0.286 0.000 1.334 22 L HN 0.490 nan 8.230 nan 0.000 0.427 23 F N 0.165 120.020 119.950 -0.158 0.000 2.518 23 F HA 0.807 5.334 4.527 0.001 0.000 0.323 23 F C 0.592 176.356 175.800 -0.060 0.000 1.129 23 F CA -0.410 57.527 58.000 -0.104 0.000 0.920 23 F CB 2.049 40.981 39.000 -0.112 0.000 1.160 23 F HN 0.494 nan 8.300 nan 0.000 0.440 24 G N 2.352 111.236 108.800 0.140 0.000 2.570 24 G HA2 0.598 4.558 3.960 0.001 0.000 0.310 24 G HA3 0.598 4.558 3.960 0.001 0.000 0.310 24 G C -2.682 172.334 174.900 0.193 0.000 1.266 24 G CA -0.641 44.548 45.100 0.148 0.000 0.825 24 G HN 0.457 nan 8.290 nan 0.000 0.483 25 L N 0.617 121.976 121.223 0.227 0.000 2.526 25 L HA 0.543 4.883 4.340 0.001 0.000 0.263 25 L C -0.753 176.239 176.870 0.204 0.000 0.943 25 L CA -0.702 54.256 54.840 0.196 0.000 0.859 25 L CB 1.292 43.410 42.059 0.098 0.000 1.313 25 L HN 0.913 nan 8.230 nan 0.000 0.406 26 H N 2.763 121.838 119.070 0.009 0.000 2.790 26 H HA 0.604 5.160 4.556 0.000 0.000 0.358 26 H C -0.051 175.171 175.328 -0.176 0.000 1.103 26 H CA 1.196 57.068 56.048 -0.294 0.000 1.426 26 H CB 1.215 30.591 29.762 -0.644 0.000 1.424 26 H HN 0.812 nan 8.280 nan 0.000 0.599 27 G N 1.370 109.636 108.800 -0.891 0.000 2.718 27 G HA2 0.465 4.425 3.960 0.001 0.000 0.295 27 G HA3 0.465 4.425 3.960 0.001 0.000 0.295 27 G C 0.218 174.673 174.900 -0.742 0.000 1.421 27 G CA -0.288 44.473 45.100 -0.566 0.000 0.902 27 G HN 0.865 nan 8.290 nan 0.000 0.501 28 A N 0.184 122.800 122.820 -0.340 0.000 1.940 28 A HA -0.101 4.220 4.320 0.001 0.000 0.219 28 A C 1.826 179.129 177.584 -0.469 0.000 1.176 28 A CA 1.995 53.874 52.037 -0.262 0.000 0.631 28 A CB -0.954 17.937 19.000 -0.182 0.000 0.814 28 A HN 0.808 nan 8.150 nan 0.000 0.446 29 H N -0.259 118.323 119.070 -0.812 0.000 2.460 29 H HA -0.128 4.428 4.556 0.001 0.000 0.297 29 H C 1.546 176.611 175.328 -0.438 0.000 1.103 29 H CA 1.696 57.108 56.048 -1.060 0.000 1.292 29 H CB -0.142 29.162 29.762 -0.763 0.000 1.376 29 H HN 0.753 nan 8.280 nan 0.000 0.531 30 I N -1.943 118.533 120.570 -0.157 0.000 3.936 30 I HA 0.160 4.330 4.170 0.001 0.000 0.330 30 I C 1.075 177.254 176.117 0.103 0.000 1.509 30 I CA -0.037 61.268 61.300 0.009 0.000 1.126 30 I CB 0.421 38.452 38.000 0.052 0.000 1.115 30 I HN -0.189 nan 8.210 nan 0.000 0.424 31 D N 2.257 122.683 120.400 0.044 0.000 2.218 31 D HA -0.211 4.430 4.640 0.001 0.000 0.204 31 D C 2.265 178.713 176.300 0.246 0.000 0.976 31 D CA 2.264 56.367 54.000 0.171 0.000 0.853 31 D CB 0.280 41.183 40.800 0.172 0.000 0.939 31 D HN 0.532 nan 8.370 nan 0.000 0.481 32 T N -1.682 112.991 114.554 0.198 0.000 2.881 32 T HA -0.126 4.224 4.350 0.001 0.000 0.270 32 T C 2.140 176.935 174.700 0.158 0.000 1.068 32 T CA 0.833 63.034 62.100 0.168 0.000 1.131 32 T CB -0.485 68.469 68.868 0.145 0.000 0.871 32 T HN 0.216 nan 8.240 nan 0.000 0.479 33 I N -0.422 120.248 120.570 0.166 0.000 2.353 33 I HA 0.025 4.196 4.170 0.001 0.000 0.248 33 I C 2.181 178.347 176.117 0.081 0.000 1.119 33 I CA 1.052 62.409 61.300 0.096 0.000 1.417 33 I CB -0.384 37.644 38.000 0.046 0.000 1.078 33 I HN 0.099 nan 8.210 nan 0.000 0.421 34 F N 1.101 121.091 119.950 0.067 0.000 2.102 34 F HA -0.249 4.278 4.527 0.000 0.000 0.298 34 F C 2.760 178.602 175.800 0.070 0.000 1.105 34 F CA 1.450 59.499 58.000 0.083 0.000 1.239 34 F CB -0.451 38.642 39.000 0.157 0.000 0.991 34 F HN 0.075 nan 8.300 nan 0.000 0.474 35 Q N -0.094 119.862 119.800 0.261 0.000 2.124 35 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 35 Q C 2.541 178.614 176.000 0.122 0.000 0.977 35 Q CA 1.445 57.346 55.803 0.163 0.000 0.850 35 Q CB -1.012 27.807 28.738 0.136 0.000 0.901 35 Q HN 0.448 nan 8.270 nan 0.000 0.429 36 A N 0.333 123.228 122.820 0.125 0.000 1.898 36 A HA -0.157 4.163 4.320 0.001 0.000 0.216 36 A C 2.538 180.223 177.584 0.167 0.000 1.181 36 A CA 1.314 53.441 52.037 0.150 0.000 0.620 36 A CB -0.902 18.171 19.000 0.122 0.000 0.819 36 A HN 0.448 nan 8.150 nan 0.000 0.442 37 C N -0.836 118.505 119.300 0.068 0.000 2.425 37 C HA -0.056 4.404 4.460 0.001 0.000 0.277 37 C C 2.495 177.510 174.990 0.041 0.000 1.280 37 C CA 0.947 59.975 59.018 0.017 0.000 1.744 37 C CB -1.230 26.449 27.740 -0.101 0.000 1.989 37 C HN 0.654 nan 8.230 nan 0.000 0.491 38 L N 1.031 122.286 121.223 0.054 0.000 2.046 38 L HA -0.137 4.203 4.340 0.001 0.000 0.208 38 L C 2.032 178.913 176.870 0.019 0.000 1.077 38 L CA 2.147 57.014 54.840 0.044 0.000 0.747 38 L CB -1.028 41.071 42.059 0.066 0.000 0.896 38 L HN 0.328 nan 8.230 nan 0.000 0.432 39 D N -1.020 119.387 120.400 0.012 0.000 2.178 39 D HA -0.164 4.476 4.640 0.001 0.000 0.202 39 D C 1.647 177.843 176.300 -0.173 0.000 0.974 39 D CA 1.266 55.214 54.000 -0.087 0.000 0.841 39 D CB -0.062 40.659 40.800 -0.132 0.000 0.953 39 D HN 0.501 nan 8.370 nan 0.000 0.478 40 H N -0.188 118.873 119.070 -0.016 0.000 2.551 40 H HA 0.118 4.674 4.556 0.001 0.000 0.271 40 H C -0.104 175.201 175.328 -0.038 0.000 0.984 40 H CA 0.058 56.090 56.048 -0.025 0.000 1.164 40 H CB 0.490 30.234 29.762 -0.030 0.000 1.437 40 H HN -0.092 nan 8.280 nan 0.000 0.550 41 D N 0.288 120.714 120.400 0.043 0.000 2.907 41 D HA -0.153 4.487 4.640 0.001 0.000 0.226 41 D C -0.772 175.510 176.300 -0.029 0.000 1.141 41 D CA 0.379 54.380 54.000 0.002 0.000 0.779 41 D CB -0.984 39.814 40.800 -0.004 0.000 1.095 41 D HN 0.128 nan 8.370 nan 0.000 0.430 42 V N 2.206 122.099 119.914 -0.036 0.000 2.348 42 V HA 0.282 4.402 4.120 0.001 0.000 0.270 42 V C -1.527 174.485 176.094 -0.136 0.000 1.037 42 V CA -0.983 61.250 62.300 -0.112 0.000 0.872 42 V CB 1.401 33.153 31.823 -0.118 0.000 1.002 42 V HN -0.002 nan 8.190 nan 0.000 0.464 43 P HA 0.351 nan 4.420 nan 0.000 0.275 43 P C -0.696 176.487 177.300 -0.195 0.000 1.227 43 P CA -0.093 62.928 63.100 -0.131 0.000 0.781 43 P CB 1.160 32.813 31.700 -0.078 0.000 0.906 44 I N 3.712 124.172 120.570 -0.183 0.000 2.355 44 I HA 0.263 4.434 4.170 0.001 0.000 0.288 44 I C 0.496 176.516 176.117 -0.162 0.000 0.999 44 I CA -0.937 60.212 61.300 -0.251 0.000 1.163 44 I CB 1.291 39.077 38.000 -0.356 0.000 1.316 44 I HN 0.092 nan 8.210 nan 0.000 0.454 45 I N 6.367 126.778 120.570 -0.265 0.000 2.329 45 I HA 0.059 4.229 4.170 0.001 0.000 0.295 45 I C 0.166 176.301 176.117 0.030 0.000 1.109 45 I CA -0.042 61.185 61.300 -0.122 0.000 1.297 45 I CB -0.232 37.654 38.000 -0.189 0.000 1.433 45 I HN 0.602 nan 8.210 nan 0.000 0.509 46 D N 5.195 125.644 120.400 0.081 0.000 2.280 46 D HA 0.255 4.895 4.640 0.001 0.000 0.243 46 D C 0.364 176.725 176.300 0.102 0.000 1.129 46 D CA -0.339 53.739 54.000 0.131 0.000 0.848 46 D CB 1.929 42.835 40.800 0.178 0.000 1.107 46 D HN 0.482 nan 8.370 nan 0.000 0.471 47 T N 0.193 114.808 114.554 0.103 0.000 2.920 47 T HA 0.362 4.713 4.350 0.001 0.000 0.292 47 T C 0.991 175.714 174.700 0.038 0.000 1.093 47 T CA -0.826 61.311 62.100 0.062 0.000 0.944 47 T CB 1.327 70.237 68.868 0.071 0.000 1.605 47 T HN 0.219 nan 8.240 nan 0.000 0.590 48 R N -0.031 120.476 120.500 0.011 0.000 2.397 48 R HA 0.304 4.645 4.340 0.001 0.000 0.241 48 R C -0.085 176.254 176.300 0.066 0.000 0.914 48 R CA -0.038 56.068 56.100 0.009 0.000 1.071 48 R CB -0.512 29.760 30.300 -0.048 0.000 1.116 48 R HN 0.746 nan 8.270 nan 0.000 0.524 49 H N -0.404 118.653 119.070 -0.023 0.000 3.123 49 H HA 0.138 4.694 4.556 0.001 0.000 0.346 49 H C -0.096 175.229 175.328 -0.005 0.000 1.138 49 H CA -0.258 55.782 56.048 -0.014 0.000 1.273 49 H CB 1.578 31.328 29.762 -0.019 0.000 1.926 49 H HN -0.216 nan 8.280 nan 0.000 0.524 50 E N 2.837 123.163 120.200 0.209 0.000 2.153 50 E HA -0.069 4.282 4.350 0.001 0.000 0.194 50 E C 1.944 178.629 176.600 0.142 0.000 0.988 50 E CA 1.546 58.036 56.400 0.151 0.000 0.811 50 E CB 0.181 29.921 29.700 0.066 0.000 0.746 50 E HN 0.617 nan 8.360 nan 0.000 0.466 51 A N 1.065 124.029 122.820 0.240 0.000 1.883 51 A HA -0.162 4.159 4.320 0.001 0.000 0.217 51 A C 2.383 179.894 177.584 -0.122 0.000 1.186 51 A CA 1.919 53.908 52.037 -0.080 0.000 0.624 51 A CB -0.897 17.983 19.000 -0.200 0.000 0.822 51 A HN 0.311 nan 8.150 nan 0.000 0.444 52 A N -0.272 122.542 122.820 -0.009 0.000 1.933 52 A HA 0.174 4.494 4.320 0.001 0.000 0.218 52 A C 2.496 180.090 177.584 0.016 0.000 1.175 52 A CA 2.048 54.099 52.037 0.023 0.000 0.628 52 A CB -0.982 18.007 19.000 -0.018 0.000 0.814 52 A HN 1.067 nan 8.150 nan 0.000 0.444 53 A N -0.367 122.478 122.820 0.042 0.000 1.877 53 A HA 0.100 4.420 4.320 0.001 0.000 0.216 53 A C 2.430 180.006 177.584 -0.013 0.000 1.186 53 A CA 2.006 54.083 52.037 0.066 0.000 0.620 53 A CB -1.436 17.636 19.000 0.121 0.000 0.822 53 A HN 0.720 nan 8.150 nan 0.000 0.443 54 G N -1.231 107.553 108.800 -0.026 0.000 2.421 54 G HA2 -0.265 3.696 3.960 0.001 0.000 0.216 54 G HA3 -0.265 3.696 3.960 0.001 0.000 0.216 54 G C 1.466 176.309 174.900 -0.095 0.000 1.171 54 G CA 1.123 46.210 45.100 -0.021 0.000 0.775 54 G HN 0.658 nan 8.290 nan 0.000 0.543 55 H N 0.765 119.820 119.070 -0.024 0.000 2.457 55 H HA 0.094 4.651 4.556 0.001 0.000 0.294 55 H C 2.836 178.055 175.328 -0.181 0.000 1.064 55 H CA 0.938 56.942 56.048 -0.073 0.000 1.330 55 H CB -0.416 29.307 29.762 -0.065 0.000 1.395 55 H HN 0.401 nan 8.280 nan 0.000 0.541 56 A N 1.125 123.836 122.820 -0.183 0.000 1.898 56 A HA -0.036 4.284 4.320 0.001 0.000 0.216 56 A C 2.707 179.779 177.584 -0.854 0.000 1.181 56 A CA 1.481 53.196 52.037 -0.537 0.000 0.620 56 A CB -0.700 17.898 19.000 -0.670 0.000 0.819 56 A HN 0.412 nan 8.150 nan 0.000 0.442 57 A N -0.055 122.366 122.820 -0.665 0.000 1.902 57 A HA -0.191 4.129 4.320 0.001 0.000 0.217 57 A C 1.901 179.382 177.584 -0.172 0.000 1.181 57 A CA 1.693 53.491 52.037 -0.398 0.000 0.623 57 A CB -0.559 18.284 19.000 -0.261 0.000 0.818 57 A HN 0.641 nan 8.150 nan 0.000 0.443 58 E N -0.745 119.381 120.200 -0.123 0.000 2.038 58 E HA -0.163 4.187 4.350 0.001 0.000 0.195 58 E C 2.187 178.757 176.600 -0.049 0.000 1.000 58 E CA 0.978 57.357 56.400 -0.034 0.000 0.803 58 E CB -0.447 29.274 29.700 0.036 0.000 0.750 58 E HN 0.608 nan 8.360 nan 0.000 0.448 59 G N 0.315 109.059 108.800 -0.094 0.000 2.418 59 G HA2 -0.310 3.651 3.960 0.001 0.000 0.217 59 G HA3 -0.310 3.651 3.960 0.001 0.000 0.217 59 G C 1.408 176.280 174.900 -0.047 0.000 1.158 59 G CA 0.924 45.969 45.100 -0.092 0.000 0.771 59 G HN 0.286 nan 8.290 nan 0.000 0.545 60 Y N 1.913 122.101 120.300 -0.187 0.000 2.145 60 Y HA -0.028 4.523 4.550 0.001 0.000 0.286 60 Y C 2.949 178.826 175.900 -0.040 0.000 1.145 60 Y CA 1.678 59.728 58.100 -0.084 0.000 1.148 60 Y CB -0.279 38.173 38.460 -0.014 0.000 0.981 60 Y HN 0.257 nan 8.280 nan 0.000 0.507 61 A N 0.570 123.451 122.820 0.103 0.000 1.858 61 A HA -0.201 4.119 4.320 0.001 0.000 0.216 61 A C 2.263 179.819 177.584 -0.047 0.000 1.190 61 A CA 1.960 54.014 52.037 0.027 0.000 0.617 61 A CB -0.681 18.352 19.000 0.056 0.000 0.827 61 A HN 0.536 nan 8.150 nan 0.000 0.443 62 R N -0.661 119.811 120.500 -0.047 0.000 2.081 62 R HA -0.056 4.285 4.340 0.001 0.000 0.235 62 R C 2.333 178.587 176.300 -0.075 0.000 1.131 62 R CA 1.306 57.370 56.100 -0.060 0.000 0.960 62 R CB -0.378 29.881 30.300 -0.068 0.000 0.856 62 R HN 0.513 nan 8.270 nan 0.000 0.436 63 A N -0.087 122.676 122.820 -0.095 0.000 2.021 63 A HA 0.071 4.391 4.320 0.001 0.000 0.216 63 A C 1.992 179.501 177.584 -0.125 0.000 1.163 63 A CA 1.217 53.196 52.037 -0.097 0.000 0.676 63 A CB -0.096 18.849 19.000 -0.092 0.000 0.818 63 A HN 0.434 nan 8.150 nan 0.000 0.453 64 G N -2.124 106.562 108.800 -0.190 0.000 3.126 64 G HA2 0.406 4.366 3.960 0.001 0.000 0.224 64 G HA3 0.406 4.366 3.960 0.001 0.000 0.224 64 G C 0.729 175.540 174.900 -0.148 0.000 1.142 64 G CA 0.563 45.530 45.100 -0.222 0.000 0.759 64 G HN 1.454 nan 8.290 nan 0.000 0.550 65 A N 0.362 123.120 122.820 -0.104 0.000 2.519 65 A HA -0.063 4.258 4.320 0.001 0.000 0.297 65 A C 0.694 178.247 177.584 -0.052 0.000 1.472 65 A CA 1.707 53.706 52.037 -0.063 0.000 0.739 65 A CB -1.998 16.974 19.000 -0.047 0.000 1.096 65 A HN 0.971 nan 8.150 nan 0.000 0.414 66 K N -1.553 118.819 120.400 -0.047 0.000 2.454 66 K HA 0.802 5.123 4.320 0.001 0.000 0.279 66 K C -0.647 175.982 176.600 0.048 0.000 1.020 66 K CA -1.022 55.261 56.287 -0.006 0.000 0.850 66 K CB 0.605 33.093 32.500 -0.019 0.000 1.529 66 K HN 0.821 nan 8.250 nan 0.000 0.390 67 L N 1.130 122.408 121.223 0.092 0.000 2.380 67 L HA 0.468 4.808 4.340 0.001 0.000 0.273 67 L C -0.067 176.925 176.870 0.204 0.000 1.138 67 L CA 0.672 55.580 54.840 0.112 0.000 0.832 67 L CB 1.130 43.241 42.059 0.086 0.000 1.124 67 L HN 0.764 nan 8.230 nan 0.000 0.454 68 G N 4.202 113.087 108.800 0.143 0.000 2.400 68 G HA2 0.606 4.567 3.960 0.001 0.000 0.333 68 G HA3 0.606 4.567 3.960 0.001 0.000 0.333 68 G C -1.587 173.308 174.900 -0.008 0.000 1.143 68 G CA -0.487 44.692 45.100 0.132 0.000 0.914 68 G HN 0.559 nan 8.290 nan 0.000 0.480 69 V N 0.933 120.838 119.914 -0.015 0.000 2.482 69 V HA 0.709 4.830 4.120 0.001 0.000 0.295 69 V C 0.216 176.270 176.094 -0.066 0.000 1.026 69 V CA -0.813 61.443 62.300 -0.074 0.000 0.856 69 V CB 1.097 32.889 31.823 -0.052 0.000 1.001 69 V HN 1.131 nan 8.190 nan 0.000 0.424 70 A N 5.323 128.035 122.820 -0.179 0.000 2.340 70 A HA 0.940 5.260 4.320 0.001 0.000 0.331 70 A C -1.001 176.577 177.584 -0.010 0.000 1.140 70 A CA -0.641 51.336 52.037 -0.101 0.000 0.801 70 A CB 1.543 20.396 19.000 -0.244 0.000 1.234 70 A HN 0.822 nan 8.150 nan 0.000 0.469 71 L N 3.444 124.693 121.223 0.043 0.000 2.446 71 L HA 0.645 4.986 4.340 0.001 0.000 0.268 71 L C -1.130 175.803 176.870 0.105 0.000 0.975 71 L CA -0.666 54.207 54.840 0.055 0.000 0.848 71 L CB 1.550 43.597 42.059 -0.020 0.000 1.225 71 L HN 0.782 nan 8.230 nan 0.000 0.410 72 V N 0.597 120.580 119.914 0.114 0.000 3.078 72 V HA 0.646 4.767 4.120 0.001 0.000 0.311 72 V C -0.270 175.855 176.094 0.052 0.000 1.138 72 V CA -0.509 61.849 62.300 0.098 0.000 1.007 72 V CB 1.921 33.812 31.823 0.113 0.000 1.045 72 V HN 0.675 nan 8.190 nan 0.000 0.432 73 T N 1.352 115.902 114.554 -0.006 0.000 2.810 73 T HA 0.716 5.067 4.350 0.001 0.000 0.277 73 T C 0.530 175.153 174.700 -0.128 0.000 0.973 73 T CA 0.338 62.381 62.100 -0.095 0.000 0.949 73 T CB 1.114 69.883 68.868 -0.166 0.000 1.075 73 T HN 1.755 nan 8.240 nan 0.000 0.537 74 A N 0.574 123.214 122.820 -0.300 0.000 2.466 74 A HA 0.548 4.868 4.320 0.001 0.000 0.238 74 A C 1.419 178.871 177.584 -0.219 0.000 1.074 74 A CA 0.508 52.357 52.037 -0.314 0.000 0.774 74 A CB -1.185 17.463 19.000 -0.586 0.000 1.015 74 A HN 1.818 nan 8.150 nan 0.000 0.498 75 G N 1.299 110.033 108.800 -0.110 0.000 2.559 75 G HA2 -0.103 3.858 3.960 0.001 0.000 0.282 75 G HA3 -0.103 3.858 3.960 0.001 0.000 0.282 75 G C 1.491 176.404 174.900 0.021 0.000 1.177 75 G CA 1.024 46.096 45.100 -0.047 0.000 0.960 75 G HN 1.985 nan 8.290 nan 0.000 0.540 76 G N 0.871 109.654 108.800 -0.027 0.000 2.448 76 G HA2 0.235 4.196 3.960 0.001 0.000 0.219 76 G HA3 0.235 4.196 3.960 0.001 0.000 0.219 76 G C 1.893 176.770 174.900 -0.038 0.000 1.127 76 G CA 2.104 47.185 45.100 -0.031 0.000 0.766 76 G HN 1.793 nan 8.290 nan 0.000 0.552 77 G N 0.714 109.493 108.800 -0.036 0.000 2.446 77 G HA2 -0.254 3.706 3.960 0.001 0.000 0.217 77 G HA3 -0.254 3.706 3.960 0.001 0.000 0.217 77 G C 1.594 176.512 174.900 0.030 0.000 1.168 77 G CA 1.063 46.153 45.100 -0.017 0.000 0.771 77 G HN 0.419 nan 8.290 nan 0.000 0.551 78 F N 2.577 122.482 119.950 -0.074 0.000 2.113 78 F HA -0.089 4.438 4.527 0.001 0.000 0.297 78 F C 3.006 178.763 175.800 -0.072 0.000 1.103 78 F CA 2.389 60.347 58.000 -0.069 0.000 1.248 78 F CB -0.703 38.246 39.000 -0.086 0.000 0.999 78 F HN 0.208 nan 8.300 nan 0.000 0.475 79 T N -1.549 112.865 114.554 -0.233 0.000 2.867 79 T HA -0.168 4.183 4.350 0.001 0.000 0.268 79 T C 1.689 176.229 174.700 -0.267 0.000 1.057 79 T CA 1.410 63.310 62.100 -0.333 0.000 1.136 79 T CB -0.765 68.055 68.868 -0.081 0.000 0.874 79 T HN 0.245 nan 8.240 nan 0.000 0.466 80 N N 2.070 120.680 118.700 -0.151 0.000 2.519 80 N HA 0.133 4.873 4.740 0.001 0.000 0.186 80 N C 1.650 177.108 175.510 -0.087 0.000 1.062 80 N CA 1.012 54.032 53.050 -0.050 0.000 0.910 80 N CB -0.391 38.089 38.487 -0.012 0.000 0.958 80 N HN 0.706 nan 8.380 nan 0.000 0.445 81 A N -0.444 122.236 122.820 -0.233 0.000 2.308 81 A HA 0.169 4.490 4.320 0.001 0.000 0.217 81 A C 2.051 179.403 177.584 -0.388 0.000 1.216 81 A CA -0.056 51.836 52.037 -0.242 0.000 0.864 81 A CB 0.114 19.019 19.000 -0.158 0.000 0.902 81 A HN 0.046 nan 8.150 nan 0.000 0.499 82 V N -0.265 119.393 119.914 -0.426 0.000 2.548 82 V HA -0.170 3.950 4.120 0.001 0.000 0.249 82 V C 2.688 178.628 176.094 -0.256 0.000 1.055 82 V CA 2.504 64.552 62.300 -0.420 0.000 1.065 82 V CB -0.772 30.811 31.823 -0.399 0.000 0.681 82 V HN 0.592 nan 8.190 nan 0.000 0.462 83 T N 0.382 114.833 114.554 -0.171 0.000 2.708 83 T HA -0.099 4.252 4.350 0.001 0.000 0.266 83 T C -0.062 174.627 174.700 -0.018 0.000 1.037 83 T CA 1.813 63.876 62.100 -0.062 0.000 1.146 83 T CB -1.223 67.649 68.868 0.006 0.000 0.865 83 T HN 0.426 nan 8.240 nan 0.000 0.435 84 P HA -0.057 nan 4.420 nan 0.000 0.215 84 P C 1.481 178.801 177.300 0.033 0.000 1.157 84 P CA 1.063 64.100 63.100 -0.105 0.000 0.874 84 P CB -0.249 31.299 31.700 -0.252 0.000 0.790 85 I N -0.747 119.667 120.570 -0.260 0.000 2.163 85 I HA -0.285 3.886 4.170 0.001 0.000 0.243 85 I C 2.369 178.468 176.117 -0.031 0.000 1.085 85 I CA 1.746 62.832 61.300 -0.357 0.000 1.347 85 I CB -0.958 36.641 38.000 -0.667 0.000 1.044 85 I HN -0.077 nan 8.210 nan 0.000 0.408 86 A N 0.557 123.362 122.820 -0.026 0.000 1.902 86 A HA -0.243 4.077 4.320 0.001 0.000 0.217 86 A C 2.202 179.901 177.584 0.191 0.000 1.181 86 A CA 1.928 54.021 52.037 0.093 0.000 0.623 86 A CB -0.945 18.077 19.000 0.038 0.000 0.818 86 A HN 0.514 nan 8.150 nan 0.000 0.443 87 N N 0.237 119.025 118.700 0.147 0.000 2.069 87 N HA -0.174 4.567 4.740 0.001 0.000 0.191 87 N C 1.966 177.565 175.510 0.148 0.000 1.031 87 N CA 1.484 54.620 53.050 0.144 0.000 0.852 87 N CB -0.201 38.385 38.487 0.165 0.000 1.018 87 N HN 0.389 nan 8.380 nan 0.000 0.423 88 A N 1.401 124.336 122.820 0.193 0.000 1.972 88 A HA -0.179 4.141 4.320 0.001 0.000 0.219 88 A C 2.012 179.722 177.584 0.211 0.000 1.169 88 A CA 1.025 53.179 52.037 0.196 0.000 0.635 88 A CB -1.229 17.940 19.000 0.282 0.000 0.810 88 A HN 0.745 nan 8.150 nan 0.000 0.446 89 W N 0.580 121.918 121.300 0.063 0.000 2.354 89 W HA -0.159 4.501 4.660 0.001 0.000 0.315 89 W C 1.402 177.948 176.519 0.045 0.000 1.206 89 W CA 1.657 59.035 57.345 0.055 0.000 1.290 89 W CB -0.315 29.171 29.460 0.043 0.000 1.152 89 W HN 0.290 nan 8.180 nan 0.000 0.489 90 L N 0.573 121.778 121.223 -0.030 0.000 2.376 90 L HA -0.128 4.213 4.340 0.001 0.000 0.219 90 L C 1.344 178.083 176.870 -0.219 0.000 1.133 90 L CA 1.003 55.753 54.840 -0.150 0.000 0.816 90 L CB -0.686 41.416 42.059 0.073 0.000 0.933 90 L HN -0.190 nan 8.230 nan 0.000 0.449 91 D N 0.107 120.425 120.400 -0.138 0.000 2.339 91 D HA 0.051 4.691 4.640 0.001 0.000 0.217 91 D C 0.237 176.454 176.300 -0.139 0.000 1.050 91 D CA 0.010 53.915 54.000 -0.159 0.000 0.856 91 D CB 0.206 40.957 40.800 -0.081 0.000 0.922 91 D HN 0.003 nan 8.370 nan 0.000 0.518 92 R N 0.286 120.705 120.500 -0.134 0.000 3.205 92 R HA -0.152 4.189 4.340 0.001 0.000 0.249 92 R C -0.202 176.078 176.300 -0.033 0.000 0.937 92 R CA 0.811 56.852 56.100 -0.098 0.000 0.641 92 R CB -2.530 27.693 30.300 -0.128 0.000 1.114 92 R HN 0.183 nan 8.270 nan 0.000 0.451 93 T N -0.582 113.981 114.554 0.016 0.000 2.829 93 T HA 0.575 4.925 4.350 0.001 0.000 0.280 93 T C -2.639 172.106 174.700 0.076 0.000 0.999 93 T CA -2.375 59.746 62.100 0.034 0.000 0.983 93 T CB 1.881 70.762 68.868 0.022 0.000 0.968 93 T HN -0.024 nan 8.240 nan 0.000 0.446 94 P HA 0.403 nan 4.420 nan 0.000 0.280 94 P C -1.040 176.297 177.300 0.062 0.000 1.386 94 P CA -0.368 62.776 63.100 0.075 0.000 0.899 94 P CB 0.569 32.302 31.700 0.055 0.000 1.098 95 V N 5.121 125.079 119.914 0.073 0.000 2.638 95 V HA 0.296 4.416 4.120 0.001 0.000 0.306 95 V C 0.177 176.255 176.094 -0.027 0.000 1.052 95 V CA -0.865 61.403 62.300 -0.054 0.000 0.885 95 V CB 2.818 34.507 31.823 -0.223 0.000 0.999 95 V HN 0.423 nan 8.190 nan 0.000 0.424 96 L N 4.981 126.153 121.223 -0.085 0.000 2.261 96 L HA 0.530 4.870 4.340 0.001 0.000 0.289 96 L C -1.167 175.633 176.870 -0.117 0.000 1.059 96 L CA -0.244 54.596 54.840 0.000 0.000 0.816 96 L CB 0.484 42.562 42.059 0.031 0.000 1.191 96 L HN 0.556 nan 8.230 nan 0.000 0.431 97 F N 5.688 125.683 119.950 0.074 0.000 2.390 97 F HA 0.318 4.846 4.527 0.001 0.000 0.361 97 F C 0.159 175.995 175.800 0.060 0.000 1.124 97 F CA -0.304 57.735 58.000 0.065 0.000 1.149 97 F CB 0.813 39.856 39.000 0.071 0.000 1.160 97 F HN 0.265 nan 8.300 nan 0.000 0.501 98 L N 3.621 124.947 121.223 0.172 0.000 2.272 98 L HA 0.492 4.832 4.340 0.001 0.000 0.289 98 L C 0.212 177.160 176.870 0.130 0.000 1.032 98 L CA -0.322 54.590 54.840 0.120 0.000 0.810 98 L CB 1.597 43.694 42.059 0.063 0.000 1.205 98 L HN 0.511 nan 8.230 nan 0.000 0.422 99 T N 2.000 116.617 114.554 0.105 0.000 2.876 99 T HA 0.651 5.002 4.350 0.001 0.000 0.289 99 T C 0.157 174.870 174.700 0.022 0.000 1.014 99 T CA -0.375 61.776 62.100 0.086 0.000 0.986 99 T CB 1.563 70.507 68.868 0.127 0.000 1.021 99 T HN 0.680 nan 8.240 nan 0.000 0.458 100 G N 1.897 110.698 108.800 0.001 0.000 2.562 100 G HA2 0.593 4.554 3.960 0.001 0.000 0.275 100 G HA3 0.593 4.554 3.960 0.001 0.000 0.275 100 G C -0.388 174.469 174.900 -0.072 0.000 1.196 100 G CA -0.030 45.058 45.100 -0.021 0.000 0.908 100 G HN 1.241 nan 8.290 nan 0.000 0.524 101 S N -1.718 113.965 115.700 -0.028 0.000 2.636 101 S HA 0.679 5.149 4.470 0.001 0.000 0.268 101 S C 0.029 174.685 174.600 0.093 0.000 1.159 101 S CA -0.227 57.943 58.200 -0.049 0.000 0.815 101 S CB 0.921 64.070 63.200 -0.086 0.000 1.130 101 S HN 1.485 nan 8.310 nan 0.000 0.471 102 G N 0.344 109.192 108.800 0.079 0.000 2.491 102 G HA2 0.502 4.462 3.960 0.001 0.000 0.238 102 G HA3 0.502 4.462 3.960 0.001 0.000 0.238 102 G C 0.486 175.499 174.900 0.187 0.000 1.277 102 G CA -0.158 45.057 45.100 0.193 0.000 0.851 102 G HN 1.413 nan 8.290 nan 0.000 0.573 103 A N 1.475 124.437 122.820 0.237 0.000 2.498 103 A HA 0.284 4.604 4.320 0.001 0.000 0.239 103 A C 1.588 179.208 177.584 0.060 0.000 1.068 103 A CA -0.296 51.822 52.037 0.134 0.000 0.766 103 A CB 0.213 19.249 19.000 0.059 0.000 1.003 103 A HN 0.723 nan 8.150 nan 0.000 0.497 104 L N 1.962 123.202 121.223 0.029 0.000 2.056 104 L HA -0.092 4.249 4.340 0.001 0.000 0.207 104 L C 1.903 178.771 176.870 -0.003 0.000 1.078 104 L CA 1.283 56.127 54.840 0.007 0.000 0.749 104 L CB -0.603 41.454 42.059 -0.002 0.000 0.901 104 L HN 0.906 nan 8.230 nan 0.000 0.433 105 R N 1.350 121.841 120.500 -0.015 0.000 2.738 105 R HA -0.039 4.301 4.340 0.001 0.000 0.268 105 R C 0.240 176.531 176.300 -0.014 0.000 1.062 105 R CA 0.348 56.435 56.100 -0.023 0.000 1.158 105 R CB -0.215 30.059 30.300 -0.043 0.000 1.046 105 R HN 0.375 nan 8.270 nan 0.000 0.493 106 D N -1.796 118.597 120.400 -0.013 0.000 2.860 106 D HA -0.282 4.358 4.640 0.001 0.000 0.229 106 D C -0.696 175.613 176.300 0.015 0.000 1.169 106 D CA 1.583 55.583 54.000 -0.000 0.000 0.737 106 D CB -1.464 39.335 40.800 -0.002 0.000 1.080 106 D HN 0.809 nan 8.370 nan 0.000 0.424 107 D N -0.091 120.315 120.400 0.009 0.000 2.506 107 D HA 0.239 4.879 4.640 0.001 0.000 0.234 107 D C 0.666 176.969 176.300 0.005 0.000 1.143 107 D CA 1.069 55.073 54.000 0.008 0.000 0.871 107 D CB 0.432 41.231 40.800 -0.002 0.000 1.190 107 D HN 0.347 nan 8.370 nan 0.000 0.459 108 E N 1.017 121.220 120.200 0.005 0.000 2.416 108 E HA -0.210 4.140 4.350 0.001 0.000 0.249 108 E C -0.078 176.525 176.600 0.005 0.000 1.124 108 E CA 1.296 57.697 56.400 0.002 0.000 0.732 108 E CB -1.586 28.112 29.700 -0.003 0.000 1.286 108 E HN 0.481 nan 8.360 nan 0.000 0.394 109 T N -2.785 111.776 114.554 0.012 0.000 3.182 109 T HA 0.229 4.579 4.350 0.001 0.000 0.277 109 T C 0.465 175.176 174.700 0.017 0.000 1.013 109 T CA 0.086 62.194 62.100 0.014 0.000 0.900 109 T CB 0.121 68.999 68.868 0.016 0.000 1.098 109 T HN 0.180 nan 8.240 nan 0.000 0.543 110 N N 1.160 119.869 118.700 0.016 0.000 2.727 110 N HA -0.128 4.612 4.740 0.001 0.000 0.249 110 N C -0.122 175.404 175.510 0.026 0.000 1.048 110 N CA 1.250 54.310 53.050 0.016 0.000 0.714 110 N CB -1.674 36.820 38.487 0.012 0.000 0.959 110 N HN 0.639 nan 8.380 nan 0.000 0.544 111 T N -0.341 114.236 114.554 0.038 0.000 2.910 111 T HA 0.517 4.867 4.350 0.001 0.000 0.279 111 T C 0.270 175.008 174.700 0.064 0.000 0.989 111 T CA -0.763 61.371 62.100 0.057 0.000 0.968 111 T CB 0.948 69.863 68.868 0.078 0.000 1.135 111 T HN 0.186 nan 8.240 nan 0.000 0.562 112 L N 2.832 124.106 121.223 0.084 0.000 2.584 112 L HA 0.125 4.465 4.340 0.001 0.000 0.272 112 L C 1.042 177.953 176.870 0.069 0.000 1.195 112 L CA 1.232 56.118 54.840 0.077 0.000 0.920 112 L CB -0.486 41.635 42.059 0.103 0.000 1.173 112 L HN 0.937 nan 8.230 nan 0.000 0.489 113 Q N 1.303 121.104 119.800 0.001 0.000 2.305 113 Q HA -0.272 4.068 4.340 0.001 0.000 0.203 113 Q C 0.232 176.191 176.000 -0.069 0.000 0.663 113 Q CA 1.108 56.867 55.803 -0.074 0.000 1.389 113 Q CB -1.721 26.890 28.738 -0.212 0.000 1.566 113 Q HN 0.874 nan 8.270 nan 0.000 0.755 114 A N -0.665 122.151 122.820 -0.006 0.000 2.252 114 A HA 0.729 5.050 4.320 0.001 0.000 0.305 114 A C 1.370 178.945 177.584 -0.015 0.000 1.097 114 A CA 0.633 52.670 52.037 -0.000 0.000 0.849 114 A CB 0.835 19.862 19.000 0.045 0.000 1.142 114 A HN 0.843 nan 8.150 nan 0.000 0.499 115 G N -1.189 107.596 108.800 -0.024 0.000 2.213 115 G HA2 -0.121 3.840 3.960 0.001 0.000 0.226 115 G HA3 -0.121 3.840 3.960 0.001 0.000 0.226 115 G C 0.242 175.120 174.900 -0.037 0.000 0.992 115 G CA 0.127 45.212 45.100 -0.025 0.000 0.632 115 G HN 1.808 nan 8.290 nan 0.000 0.511 116 I N -0.303 120.237 120.570 -0.050 0.000 2.353 116 I HA 0.614 4.784 4.170 0.001 0.000 0.293 116 I C -0.911 175.144 176.117 -0.104 0.000 0.992 116 I CA -0.860 60.408 61.300 -0.053 0.000 1.268 116 I CB 1.559 39.548 38.000 -0.018 0.000 1.387 116 I HN -0.055 nan 8.210 nan 0.000 0.478 117 D N 5.981 126.324 120.400 -0.095 0.000 2.441 117 D HA 0.068 4.708 4.640 0.001 0.000 0.243 117 D C 1.032 177.213 176.300 -0.197 0.000 1.257 117 D CA 0.187 54.107 54.000 -0.133 0.000 1.027 117 D CB 0.645 41.389 40.800 -0.093 0.000 1.084 117 D HN 0.609 nan 8.370 nan 0.000 0.514 118 Q N 1.249 120.835 119.800 -0.356 0.000 2.119 118 Q HA -0.099 4.241 4.340 0.001 0.000 0.201 118 Q C 2.054 177.732 176.000 -0.538 0.000 0.972 118 Q CA 0.944 56.308 55.803 -0.731 0.000 0.847 118 Q CB 0.284 28.275 28.738 -1.244 0.000 0.903 118 Q HN 0.362 nan 8.270 nan 0.000 0.433 119 V N 1.165 120.859 119.914 -0.367 0.000 2.343 119 V HA -0.289 3.831 4.120 0.001 0.000 0.247 119 V C 2.304 178.299 176.094 -0.164 0.000 1.051 119 V CA 1.844 63.990 62.300 -0.256 0.000 1.036 119 V CB -1.002 30.670 31.823 -0.252 0.000 0.654 119 V HN 0.408 nan 8.190 nan 0.000 0.451 120 A N -0.671 122.067 122.820 -0.136 0.000 1.933 120 A HA -0.231 4.089 4.320 0.001 0.000 0.218 120 A C 2.251 179.800 177.584 -0.059 0.000 1.175 120 A CA 2.135 54.120 52.037 -0.087 0.000 0.628 120 A CB -0.488 18.470 19.000 -0.071 0.000 0.814 120 A HN 0.492 nan 8.150 nan 0.000 0.444 121 M N -0.837 118.747 119.600 -0.027 0.000 2.159 121 M HA -0.153 4.327 4.480 0.001 0.000 0.263 121 M C 2.313 178.631 176.300 0.030 0.000 1.063 121 M CA 1.511 56.838 55.300 0.046 0.000 1.110 121 M CB -0.282 32.436 32.600 0.196 0.000 1.374 121 M HN 0.502 nan 8.290 nan 0.000 0.411 122 A N -0.401 122.438 122.820 0.031 0.000 2.147 122 A HA 0.313 4.633 4.320 0.001 0.000 0.211 122 A C 2.270 179.767 177.584 -0.144 0.000 1.160 122 A CA 0.906 52.923 52.037 -0.035 0.000 0.781 122 A CB -0.493 18.525 19.000 0.029 0.000 0.842 122 A HN 0.423 nan 8.150 nan 0.000 0.475 123 A N 1.368 124.110 122.820 -0.131 0.000 1.903 123 A HA -0.119 4.202 4.320 0.001 0.000 0.219 123 A C 0.105 177.554 177.584 -0.226 0.000 1.191 123 A CA 2.100 54.049 52.037 -0.146 0.000 0.638 123 A CB -1.737 17.205 19.000 -0.097 0.000 0.823 123 A HN 0.466 nan 8.150 nan 0.000 0.451 124 P HA 0.017 nan 4.420 nan 0.000 0.237 124 P C 0.677 177.592 177.300 -0.642 0.000 1.178 124 P CA 0.817 63.738 63.100 -0.298 0.000 0.766 124 P CB -0.140 31.454 31.700 -0.177 0.000 0.876 125 I N -4.612 115.510 120.570 -0.746 0.000 3.621 125 I HA 0.353 4.523 4.170 0.001 0.000 0.325 125 I C -0.539 175.035 176.117 -0.904 0.000 1.554 125 I CA -0.540 60.048 61.300 -1.187 0.000 1.053 125 I CB 0.257 37.919 38.000 -0.563 0.000 1.302 125 I HN -0.251 nan 8.210 nan 0.000 0.518 126 T N -3.426 110.686 114.554 -0.737 0.000 2.896 126 T HA 0.456 4.806 4.350 0.001 0.000 0.297 126 T C 0.372 175.077 174.700 0.008 0.000 1.108 126 T CA -0.798 61.196 62.100 -0.178 0.000 1.004 126 T CB 2.713 71.553 68.868 -0.046 0.000 1.159 126 T HN 0.085 nan 8.240 nan 0.000 0.499 127 K N -0.451 120.146 120.400 0.328 0.000 2.097 127 K HA 0.082 4.403 4.320 0.001 0.000 0.205 127 K C -0.154 176.661 176.600 0.358 0.000 1.050 127 K CA 0.998 57.510 56.287 0.375 0.000 0.938 127 K CB 0.119 32.826 32.500 0.345 0.000 0.718 127 K HN 0.634 nan 8.250 nan 0.000 0.442 128 W N -0.863 120.492 121.300 0.091 0.000 3.363 128 W HA 0.482 5.142 4.660 0.000 0.000 0.306 128 W C -2.146 174.414 176.519 0.068 0.000 1.253 128 W CA -0.864 56.522 57.345 0.067 0.000 1.195 128 W CB 1.492 30.991 29.460 0.065 0.000 1.366 128 W HN -0.144 nan 8.180 nan 0.000 0.551 129 A N 3.844 126.335 122.820 -0.549 0.000 2.465 129 A HA 0.658 4.979 4.320 0.001 0.000 0.292 129 A C -2.232 174.952 177.584 -0.667 0.000 1.041 129 A CA -0.366 51.360 52.037 -0.517 0.000 0.718 129 A CB 1.395 20.249 19.000 -0.243 0.000 1.266 129 A HN 0.892 nan 8.150 nan 0.000 0.403 130 H N 0.308 118.918 119.070 -0.766 0.000 3.064 130 H HA 0.670 5.226 4.556 0.001 0.000 0.352 130 H C -0.889 174.234 175.328 -0.342 0.000 1.260 130 H CA -0.411 55.275 56.048 -0.604 0.000 1.160 130 H CB 1.426 30.649 29.762 -0.897 0.000 1.879 130 H HN 0.749 nan 8.280 nan 0.000 0.544 131 R N 3.418 123.516 120.500 -0.670 0.000 2.387 131 R HA 0.494 4.835 4.340 0.001 0.000 0.314 131 R C -1.160 175.012 176.300 -0.213 0.000 0.958 131 R CA -0.826 55.059 56.100 -0.357 0.000 0.846 131 R CB 1.042 31.153 30.300 -0.315 0.000 1.147 131 R HN 0.389 nan 8.270 nan 0.000 0.447 132 V N 6.318 126.224 119.914 -0.013 0.000 2.555 132 V HA 0.035 4.155 4.120 0.001 0.000 0.286 132 V C 1.137 177.276 176.094 0.075 0.000 1.044 132 V CA 0.106 62.473 62.300 0.111 0.000 1.026 132 V CB 1.439 33.336 31.823 0.123 0.000 0.981 132 V HN 0.870 nan 8.190 nan 0.000 0.480 133 M N 3.117 122.803 119.600 0.143 0.000 2.461 133 M HA 0.379 4.859 4.480 0.001 0.000 0.255 133 M C 0.504 176.808 176.300 0.008 0.000 1.137 133 M CA 0.489 55.841 55.300 0.086 0.000 1.086 133 M CB 0.465 33.144 32.600 0.132 0.000 1.356 133 M HN 0.730 nan 8.290 nan 0.000 0.487 134 A N -0.435 122.339 122.820 -0.077 0.000 2.488 134 A HA 0.555 4.875 4.320 0.001 0.000 0.298 134 A C 0.774 178.219 177.584 -0.232 0.000 1.044 134 A CA -0.448 51.419 52.037 -0.283 0.000 0.693 134 A CB 0.658 19.281 19.000 -0.627 0.000 1.272 134 A HN 0.175 nan 8.150 nan 0.000 0.402 135 T N 0.933 115.407 114.554 -0.133 0.000 2.759 135 T HA -0.146 4.205 4.350 0.001 0.000 0.269 135 T C 1.440 176.111 174.700 -0.049 0.000 1.042 135 T CA 2.434 64.499 62.100 -0.058 0.000 1.140 135 T CB -0.161 68.686 68.868 -0.035 0.000 0.864 135 T HN 0.769 nan 8.240 nan 0.000 0.455 136 E N 0.558 120.693 120.200 -0.109 0.000 2.209 136 E HA -0.113 4.237 4.350 0.001 0.000 0.196 136 E C 1.750 178.402 176.600 0.087 0.000 0.993 136 E CA 1.036 57.415 56.400 -0.034 0.000 0.819 136 E CB -0.339 29.333 29.700 -0.047 0.000 0.745 136 E HN 0.733 nan 8.360 nan 0.000 0.477 137 H N -0.907 118.190 119.070 0.046 0.000 2.548 137 H HA 0.140 4.696 4.556 0.001 0.000 0.268 137 H C 1.727 177.094 175.328 0.064 0.000 0.975 137 H CA -0.062 56.021 56.048 0.057 0.000 1.195 137 H CB 0.178 29.985 29.762 0.076 0.000 1.397 137 H HN 0.100 nan 8.280 nan 0.000 0.572 138 I N 1.379 122.045 120.570 0.161 0.000 2.087 138 I HA -0.240 3.931 4.170 0.001 0.000 0.240 138 I C -0.595 175.582 176.117 0.100 0.000 1.054 138 I CA 1.390 62.760 61.300 0.118 0.000 1.311 138 I CB -1.034 37.013 38.000 0.078 0.000 1.024 138 I HN 0.228 nan 8.210 nan 0.000 0.402 139 P HA -0.203 nan 4.420 nan 0.000 0.214 139 P C 1.309 178.646 177.300 0.062 0.000 1.163 139 P CA 1.698 64.833 63.100 0.059 0.000 0.883 139 P CB -0.240 31.488 31.700 0.046 0.000 0.788 140 R N -0.892 119.649 120.500 0.068 0.000 2.115 140 R HA -0.052 4.288 4.340 0.001 0.000 0.230 140 R C 1.736 178.071 176.300 0.059 0.000 1.111 140 R CA 1.266 57.394 56.100 0.046 0.000 0.976 140 R CB -1.405 28.911 30.300 0.027 0.000 0.870 140 R HN 0.097 nan 8.270 nan 0.000 0.445 141 L N 1.055 122.342 121.223 0.108 0.000 2.095 141 L HA -0.006 4.335 4.340 0.001 0.000 0.204 141 L C 2.449 179.436 176.870 0.194 0.000 1.080 141 L CA 0.875 55.819 54.840 0.173 0.000 0.759 141 L CB -0.533 41.663 42.059 0.228 0.000 0.914 141 L HN 0.017 nan 8.230 nan 0.000 0.439 142 V N -0.742 119.257 119.914 0.141 0.000 2.287 142 V HA -0.362 3.759 4.120 0.001 0.000 0.248 142 V C 2.549 178.703 176.094 0.101 0.000 1.053 142 V CA 1.993 64.365 62.300 0.120 0.000 1.027 142 V CB -0.490 31.380 31.823 0.078 0.000 0.646 142 V HN 0.378 nan 8.190 nan 0.000 0.447 143 M N -0.555 119.086 119.600 0.069 0.000 2.175 143 M HA -0.166 4.314 4.480 0.001 0.000 0.264 143 M C 2.188 178.506 176.300 0.030 0.000 1.063 143 M CA 1.764 57.089 55.300 0.041 0.000 1.119 143 M CB -0.587 32.026 32.600 0.021 0.000 1.377 143 M HN 0.365 nan 8.290 nan 0.000 0.415 144 Q N -0.749 119.064 119.800 0.022 0.000 2.084 144 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 144 Q C 1.919 177.910 176.000 -0.015 0.000 0.978 144 Q CA 1.906 57.674 55.803 -0.058 0.000 0.844 144 Q CB -0.217 28.433 28.738 -0.146 0.000 0.898 144 Q HN 0.606 nan 8.270 nan 0.000 0.426 145 A N 0.673 123.605 122.820 0.187 0.000 1.908 145 A HA -0.193 4.127 4.320 0.001 0.000 0.218 145 A C 1.978 179.670 177.584 0.181 0.000 1.181 145 A CA 1.427 53.658 52.037 0.323 0.000 0.627 145 A CB -0.681 18.547 19.000 0.381 0.000 0.818 145 A HN 0.491 nan 8.150 nan 0.000 0.445 146 I N -0.953 119.686 120.570 0.115 0.000 2.179 146 I HA -0.274 3.896 4.170 0.001 0.000 0.242 146 I C 2.781 178.930 176.117 0.052 0.000 1.088 146 I CA 1.380 62.727 61.300 0.077 0.000 1.357 146 I CB -0.341 37.691 38.000 0.054 0.000 1.051 146 I HN 0.299 nan 8.210 nan 0.000 0.409 147 R N 0.703 121.216 120.500 0.023 0.000 2.091 147 R HA -0.186 4.155 4.340 0.001 0.000 0.238 147 R C 2.425 178.726 176.300 0.002 0.000 1.136 147 R CA 1.595 57.693 56.100 -0.003 0.000 0.959 147 R CB -0.568 29.711 30.300 -0.035 0.000 0.856 147 R HN 0.391 nan 8.270 nan 0.000 0.437 148 A N 1.308 124.133 122.820 0.008 0.000 1.902 148 A HA -0.117 4.203 4.320 0.001 0.000 0.217 148 A C 2.402 180.039 177.584 0.088 0.000 1.181 148 A CA 1.702 53.759 52.037 0.034 0.000 0.623 148 A CB -0.627 18.406 19.000 0.055 0.000 0.818 148 A HN 0.406 nan 8.150 nan 0.000 0.443 149 A N -0.457 122.431 122.820 0.113 0.000 1.902 149 A HA -0.007 4.313 4.320 0.001 0.000 0.217 149 A C 2.081 179.711 177.584 0.078 0.000 1.181 149 A CA 1.498 53.606 52.037 0.118 0.000 0.623 149 A CB -0.516 18.559 19.000 0.125 0.000 0.818 149 A HN 0.467 nan 8.150 nan 0.000 0.443 150 L N 0.447 121.702 121.223 0.053 0.000 2.418 150 L HA 0.021 4.362 4.340 0.001 0.000 0.218 150 L C 1.283 178.164 176.870 0.019 0.000 1.125 150 L CA 0.371 55.230 54.840 0.032 0.000 0.835 150 L CB -0.256 41.816 42.059 0.021 0.000 0.953 150 L HN 0.491 nan 8.230 nan 0.000 0.454 151 S N -0.083 115.629 115.700 0.020 0.000 2.672 151 S HA 0.628 5.098 4.470 0.001 0.000 0.276 151 S C 0.108 174.716 174.600 0.013 0.000 1.207 151 S CA -0.773 57.432 58.200 0.010 0.000 1.002 151 S CB 1.846 65.047 63.200 0.003 0.000 0.998 151 S HN 0.093 nan 8.310 nan 0.000 0.542 152 A N 2.473 125.296 122.820 0.004 0.000 2.409 152 A HA 0.591 4.912 4.320 0.001 0.000 0.262 152 A C -2.045 175.540 177.584 0.002 0.000 1.113 152 A CA -1.392 50.645 52.037 -0.001 0.000 0.790 152 A CB -0.721 18.276 19.000 -0.006 0.000 1.046 152 A HN 0.751 nan 8.150 nan 0.000 0.496 153 P HA 0.386 nan 4.420 nan 0.000 0.278 153 P C -0.495 176.802 177.300 -0.004 0.000 1.238 153 P CA -0.542 62.545 63.100 -0.020 0.000 0.794 153 P CB 0.706 32.376 31.700 -0.051 0.000 0.955 154 R N 0.714 121.212 120.500 -0.004 0.000 2.734 154 R HA 0.591 4.931 4.340 0.001 0.000 0.266 154 R C 1.015 177.338 176.300 0.039 0.000 1.044 154 R CA 0.991 57.105 56.100 0.023 0.000 1.128 154 R CB -0.250 30.059 30.300 0.015 0.000 1.010 154 R HN 0.861 nan 8.270 nan 0.000 0.461 155 G N 1.306 110.166 108.800 0.100 0.000 2.495 155 G HA2 0.398 4.359 3.960 0.001 0.000 0.294 155 G HA3 0.398 4.359 3.960 0.001 0.000 0.294 155 G C -3.034 172.010 174.900 0.239 0.000 1.397 155 G CA -1.011 44.193 45.100 0.172 0.000 0.790 155 G HN 0.434 nan 8.290 nan 0.000 0.486 156 P HA 0.606 nan 4.420 nan 0.000 0.281 156 P C -0.780 176.722 177.300 0.337 0.000 1.249 156 P CA -0.502 62.821 63.100 0.372 0.000 0.810 156 P CB 2.125 34.092 31.700 0.444 0.000 1.008 157 V N 2.592 122.716 119.914 0.350 0.000 2.841 157 V HA 0.399 4.520 4.120 0.001 0.000 0.310 157 V C -0.349 175.909 176.094 0.274 0.000 1.090 157 V CA -0.768 61.708 62.300 0.292 0.000 0.930 157 V CB 2.207 34.217 31.823 0.311 0.000 1.014 157 V HN 0.414 nan 8.190 nan 0.000 0.425 158 L N 4.507 125.808 121.223 0.130 0.000 2.325 158 L HA 0.632 4.972 4.340 0.001 0.000 0.281 158 L C -1.157 175.686 176.870 -0.044 0.000 1.004 158 L CA -0.089 54.800 54.840 0.082 0.000 0.823 158 L CB 1.288 43.362 42.059 0.024 0.000 1.236 158 L HN 0.598 nan 8.230 nan 0.000 0.415 159 L N 4.957 126.191 121.223 0.019 0.000 2.319 159 L HA 0.438 4.778 4.340 0.001 0.000 0.281 159 L C -1.112 175.744 176.870 -0.024 0.000 1.005 159 L CA -0.426 54.398 54.840 -0.025 0.000 0.828 159 L CB 1.511 43.601 42.059 0.052 0.000 1.227 159 L HN 0.641 nan 8.230 nan 0.000 0.415 160 D N 6.075 126.423 120.400 -0.086 0.000 2.329 160 D HA 0.310 4.951 4.640 0.001 0.000 0.232 160 D C -0.938 175.332 176.300 -0.049 0.000 1.088 160 D CA -0.259 53.682 54.000 -0.097 0.000 0.835 160 D CB 1.241 41.926 40.800 -0.192 0.000 1.078 160 D HN 0.357 nan 8.370 nan 0.000 0.495 161 L N 6.160 127.378 121.223 -0.008 0.000 2.324 161 L HA 0.357 4.697 4.340 0.001 0.000 0.274 161 L C -2.215 174.689 176.870 0.058 0.000 1.012 161 L CA -1.814 53.045 54.840 0.032 0.000 0.859 161 L CB 1.767 43.859 42.059 0.055 0.000 1.224 161 L HN 0.172 nan 8.230 nan 0.000 0.429 162 P HA -0.091 nan 4.420 nan 0.000 0.268 162 P C -0.055 177.371 177.300 0.209 0.000 1.205 162 P CA -0.240 62.928 63.100 0.113 0.000 0.771 162 P CB 0.568 32.309 31.700 0.069 0.000 0.858 163 W N 3.277 124.608 121.300 0.052 0.000 2.525 163 W HA -0.106 4.554 4.660 0.001 0.000 0.259 163 W C 1.262 177.775 176.519 -0.010 0.000 1.253 163 W CA 1.161 58.524 57.345 0.031 0.000 1.262 163 W CB -0.900 28.564 29.460 0.007 0.000 1.122 163 W HN 0.382 nan 8.180 nan 0.000 0.607 164 D N 0.294 120.753 120.400 0.098 0.000 2.120 164 D HA -0.226 4.414 4.640 0.001 0.000 0.191 164 D C 2.153 178.451 176.300 -0.003 0.000 0.994 164 D CA 2.135 56.114 54.000 -0.035 0.000 0.838 164 D CB -0.418 40.385 40.800 0.005 0.000 0.976 164 D HN -0.061 nan 8.370 nan 0.000 0.447 165 I N 0.623 121.216 120.570 0.038 0.000 2.335 165 I HA -0.203 3.968 4.170 0.001 0.000 0.251 165 I C 2.473 178.619 176.117 0.048 0.000 1.129 165 I CA 0.752 62.070 61.300 0.030 0.000 1.402 165 I CB -0.948 37.074 38.000 0.036 0.000 1.069 165 I HN 0.159 nan 8.210 nan 0.000 0.424 166 L N -0.839 120.441 121.223 0.095 0.000 2.095 166 L HA -0.092 4.248 4.340 0.001 0.000 0.204 166 L C 2.532 179.458 176.870 0.093 0.000 1.080 166 L CA 0.983 55.891 54.840 0.113 0.000 0.759 166 L CB -0.327 41.836 42.059 0.173 0.000 0.914 166 L HN 0.136 nan 8.230 nan 0.000 0.439 167 M N -0.772 118.869 119.600 0.068 0.000 2.419 167 M HA -0.071 4.410 4.480 0.001 0.000 0.264 167 M C 0.532 176.823 176.300 -0.016 0.000 1.082 167 M CA 0.346 55.654 55.300 0.014 0.000 1.119 167 M CB -0.405 32.138 32.600 -0.095 0.000 1.398 167 M HN 0.195 nan 8.290 nan 0.000 0.453 168 N N 1.663 120.350 118.700 -0.021 0.000 2.353 168 N HA -0.045 4.696 4.740 0.001 0.000 0.248 168 N C -0.656 174.849 175.510 -0.010 0.000 1.240 168 N CA 0.694 53.728 53.050 -0.026 0.000 0.862 168 N CB 0.505 38.977 38.487 -0.025 0.000 1.086 168 N HN 0.199 nan 8.380 nan 0.000 0.453 169 Q N 2.050 121.841 119.800 -0.014 0.000 2.316 169 Q HA 0.574 4.915 4.340 0.001 0.000 0.264 169 Q C -0.589 175.407 176.000 -0.006 0.000 0.987 169 Q CA -0.671 55.129 55.803 -0.004 0.000 0.852 169 Q CB 1.704 30.440 28.738 -0.004 0.000 1.287 169 Q HN 0.577 nan 8.270 nan 0.000 0.448 170 I N -2.514 118.056 120.570 0.001 0.000 3.145 170 I HA 0.548 4.719 4.170 0.001 0.000 0.313 170 I C -0.790 175.330 176.117 0.006 0.000 1.122 170 I CA -1.273 60.027 61.300 0.000 0.000 0.987 170 I CB 2.041 40.040 38.000 -0.002 0.000 1.236 170 I HN 0.338 nan 8.210 nan 0.000 0.453 171 D N 2.575 122.978 120.400 0.005 0.000 2.358 171 D HA 0.019 4.660 4.640 0.001 0.000 0.258 171 D C 1.138 177.445 176.300 0.012 0.000 1.223 171 D CA 0.080 54.084 54.000 0.008 0.000 0.886 171 D CB 1.118 41.921 40.800 0.006 0.000 1.120 171 D HN 0.755 nan 8.370 nan 0.000 0.482 172 E N 2.508 122.717 120.200 0.015 0.000 2.209 172 E HA -0.225 4.125 4.350 0.001 0.000 0.196 172 E C 0.302 176.912 176.600 0.018 0.000 0.993 172 E CA 0.869 57.281 56.400 0.019 0.000 0.819 172 E CB 0.060 29.774 29.700 0.024 0.000 0.745 172 E HN 0.377 nan 8.360 nan 0.000 0.477 173 D N 1.020 121.429 120.400 0.015 0.000 2.363 173 D HA -0.059 4.582 4.640 0.001 0.000 0.220 173 D C 1.669 177.977 176.300 0.014 0.000 0.994 173 D CA 1.222 55.230 54.000 0.014 0.000 0.890 173 D CB 0.276 41.083 40.800 0.011 0.000 0.906 173 D HN 0.349 nan 8.370 nan 0.000 0.530 174 S N -0.692 115.016 115.700 0.014 0.000 2.524 174 S HA 0.137 4.607 4.470 0.001 0.000 0.215 174 S C 0.474 175.085 174.600 0.019 0.000 0.986 174 S CA -0.493 57.716 58.200 0.014 0.000 0.911 174 S CB 0.642 63.848 63.200 0.011 0.000 0.805 174 S HN 0.012 nan 8.310 nan 0.000 0.501 175 V N 2.022 121.949 119.914 0.021 0.000 2.638 175 V HA 0.731 4.851 4.120 0.001 0.000 0.306 175 V C -0.839 175.270 176.094 0.025 0.000 1.052 175 V CA -1.381 60.935 62.300 0.027 0.000 0.885 175 V CB 1.707 33.548 31.823 0.031 0.000 0.999 175 V HN 0.492 nan 8.190 nan 0.000 0.424 176 I N 6.083 126.668 120.570 0.026 0.000 2.440 176 I HA 0.642 4.812 4.170 0.001 0.000 0.294 176 I C -0.675 175.454 176.117 0.021 0.000 0.995 176 I CA 0.114 61.427 61.300 0.021 0.000 1.306 176 I CB 1.385 39.395 38.000 0.017 0.000 1.407 176 I HN 0.571 nan 8.210 nan 0.000 0.501 177 I N 8.563 129.142 120.570 0.016 0.000 2.304 177 I HA 0.440 4.610 4.170 0.001 0.000 0.291 177 I C -1.980 174.142 176.117 0.009 0.000 1.018 177 I CA -1.577 59.731 61.300 0.012 0.000 1.260 177 I CB 0.561 38.564 38.000 0.005 0.000 1.390 177 I HN 0.564 nan 8.210 nan 0.000 0.475 178 P HA 0.214 nan 4.420 nan 0.000 0.276 178 P C -0.742 176.559 177.300 0.001 0.000 1.244 178 P CA -0.507 62.596 63.100 0.005 0.000 0.801 178 P CB 0.670 32.373 31.700 0.005 0.000 1.006 179 D N 0.163 120.562 120.400 -0.001 0.000 2.377 179 D HA 0.120 4.761 4.640 0.001 0.000 0.245 179 D C -0.113 176.184 176.300 -0.005 0.000 1.196 179 D CA 0.002 54.000 54.000 -0.003 0.000 0.962 179 D CB 0.565 41.363 40.800 -0.004 0.000 1.127 179 D HN 0.170 nan 8.370 nan 0.000 0.471 180 L N 1.719 122.938 121.223 -0.006 0.000 2.282 180 L HA 0.191 4.531 4.340 0.001 0.000 0.287 180 L C -0.962 175.901 176.870 -0.011 0.000 1.075 180 L CA -0.260 54.576 54.840 -0.007 0.000 0.839 180 L CB 0.465 42.521 42.059 -0.006 0.000 1.219 180 L HN 0.016 nan 8.230 nan 0.000 0.434 181 V N 6.875 126.781 119.914 -0.013 0.000 2.293 181 V HA 0.538 4.659 4.120 0.001 0.000 0.275 181 V C -0.560 175.524 176.094 -0.018 0.000 1.021 181 V CA -0.482 61.810 62.300 -0.014 0.000 0.815 181 V CB 1.023 32.840 31.823 -0.011 0.000 1.025 181 V HN 0.641 nan 8.190 nan 0.000 0.448 182 L N 4.037 125.247 121.223 -0.022 0.000 2.614 182 L HA 0.537 4.878 4.340 0.001 0.000 0.264 182 L C -0.050 176.798 176.870 -0.036 0.000 0.940 182 L CA 0.155 54.981 54.840 -0.024 0.000 0.903 182 L CB 2.227 44.272 42.059 -0.023 0.000 1.306 182 L HN 0.536 nan 8.230 nan 0.000 0.410 183 S N 3.205 118.888 115.700 -0.029 0.000 2.552 183 S HA 0.389 4.859 4.470 0.001 0.000 0.289 183 S C 1.397 175.934 174.600 -0.106 0.000 1.304 183 S CA 0.418 58.588 58.200 -0.049 0.000 1.063 183 S CB 1.034 64.244 63.200 0.017 0.000 0.848 183 S HN 1.015 nan 8.310 nan 0.000 0.499 184 A N 4.687 127.359 122.820 -0.247 0.000 2.169 184 A HA 0.143 4.463 4.320 0.001 0.000 0.212 184 A C 0.620 178.030 177.584 -0.290 0.000 1.153 184 A CA 0.382 52.247 52.037 -0.287 0.000 0.756 184 A CB -0.320 18.477 19.000 -0.338 0.000 0.813 184 A HN 0.917 nan 8.150 nan 0.000 0.471 185 H N 0.048 119.113 119.070 -0.009 0.000 2.489 185 H HA 0.438 4.994 4.556 0.001 0.000 0.322 185 H C 0.681 176.001 175.328 -0.013 0.000 1.091 185 H CA -0.178 55.863 56.048 -0.012 0.000 1.291 185 H CB 0.937 30.692 29.762 -0.012 0.000 1.436 185 H HN 0.221 nan 8.280 nan 0.000 0.480 186 G N 1.059 109.915 108.800 0.094 0.000 2.539 186 G HA2 0.392 4.353 3.960 0.001 0.000 0.258 186 G HA3 0.392 4.353 3.960 0.001 0.000 0.258 186 G C 0.040 174.963 174.900 0.037 0.000 1.202 186 G CA -0.270 44.857 45.100 0.045 0.000 0.851 186 G HN 0.783 nan 8.290 nan 0.000 0.556 187 A N 0.694 123.526 122.820 0.019 0.000 2.425 187 A HA 0.623 4.943 4.320 0.001 0.000 0.242 187 A C 0.812 178.394 177.584 -0.003 0.000 1.077 187 A CA -0.180 51.861 52.037 0.008 0.000 0.781 187 A CB 0.281 19.284 19.000 0.004 0.000 1.020 187 A HN 0.972 nan 8.150 nan 0.000 0.494 188 R N 1.104 121.598 120.500 -0.010 0.000 2.888 188 R HA 0.728 5.068 4.340 0.001 0.000 0.266 188 R C -3.017 173.272 176.300 -0.018 0.000 1.020 188 R CA -1.809 54.279 56.100 -0.020 0.000 0.963 188 R CB 0.066 30.349 30.300 -0.030 0.000 1.197 188 R HN 0.401 nan 8.270 nan 0.000 0.481 189 P HA -0.033 nan 4.420 nan 0.000 0.270 189 P C -0.873 176.420 177.300 -0.011 0.000 1.223 189 P CA -0.192 62.900 63.100 -0.015 0.000 0.785 189 P CB 0.402 32.091 31.700 -0.018 0.000 0.923 190 D N 2.144 122.541 120.400 -0.005 0.000 2.455 190 D HA -0.033 4.608 4.640 0.001 0.000 0.241 190 D C -1.212 175.087 176.300 -0.001 0.000 1.138 190 D CA -1.244 52.755 54.000 -0.002 0.000 0.877 190 D CB 0.737 41.537 40.800 0.001 0.000 1.187 190 D HN 0.147 nan 8.370 nan 0.000 0.451 191 P HA -0.164 nan 4.420 nan 0.000 0.217 191 P C 0.933 178.238 177.300 0.008 0.000 1.148 191 P CA 1.170 64.272 63.100 0.003 0.000 0.828 191 P CB 0.079 31.780 31.700 0.003 0.000 0.783 192 A N 0.174 122.999 122.820 0.008 0.000 1.930 192 A HA -0.165 4.156 4.320 0.001 0.000 0.217 192 A C 2.030 179.622 177.584 0.014 0.000 1.175 192 A CA 1.731 53.775 52.037 0.010 0.000 0.627 192 A CB -1.051 17.954 19.000 0.008 0.000 0.815 192 A HN 0.071 nan 8.150 nan 0.000 0.443 193 D N -0.416 119.991 120.400 0.012 0.000 2.144 193 D HA -0.094 4.547 4.640 0.001 0.000 0.200 193 D C 1.842 178.154 176.300 0.020 0.000 0.978 193 D CA 0.943 54.952 54.000 0.015 0.000 0.833 193 D CB -0.311 40.495 40.800 0.011 0.000 0.961 193 D HN 0.332 nan 8.370 nan 0.000 0.470 194 L N 1.242 122.474 121.223 0.015 0.000 2.046 194 L HA -0.162 4.179 4.340 0.001 0.000 0.208 194 L C 1.557 178.454 176.870 0.044 0.000 1.077 194 L CA 1.666 56.517 54.840 0.020 0.000 0.747 194 L CB -0.302 41.761 42.059 0.006 0.000 0.896 194 L HN -0.158 nan 8.230 nan 0.000 0.432 195 D N -0.986 119.437 120.400 0.039 0.000 2.123 195 D HA -0.257 4.384 4.640 0.001 0.000 0.196 195 D C 2.051 178.380 176.300 0.048 0.000 0.992 195 D CA 1.271 55.298 54.000 0.045 0.000 0.833 195 D CB -0.074 40.742 40.800 0.028 0.000 0.954 195 D HN 0.500 nan 8.370 nan 0.000 0.455 196 Q N 0.110 119.934 119.800 0.039 0.000 2.079 196 Q HA -0.111 4.229 4.340 0.001 0.000 0.200 196 Q C 2.086 178.120 176.000 0.057 0.000 0.974 196 Q CA 1.400 57.226 55.803 0.039 0.000 0.840 196 Q CB -0.040 28.715 28.738 0.030 0.000 0.898 196 Q HN 0.201 nan 8.270 nan 0.000 0.430 197 A N 0.820 123.678 122.820 0.064 0.000 1.883 197 A HA -0.193 4.127 4.320 0.001 0.000 0.217 197 A C 2.027 179.695 177.584 0.140 0.000 1.186 197 A CA 1.377 53.466 52.037 0.087 0.000 0.624 197 A CB -0.771 18.270 19.000 0.070 0.000 0.822 197 A HN 0.449 nan 8.150 nan 0.000 0.444 198 L N -1.067 120.255 121.223 0.164 0.000 2.141 198 L HA -0.128 4.213 4.340 0.001 0.000 0.209 198 L C 3.026 180.020 176.870 0.207 0.000 1.094 198 L CA 0.826 55.834 54.840 0.279 0.000 0.763 198 L CB -0.450 41.791 42.059 0.303 0.000 0.908 198 L HN 0.443 nan 8.230 nan 0.000 0.437 199 A N 0.069 122.948 122.820 0.098 0.000 1.930 199 A HA -0.117 4.204 4.320 0.001 0.000 0.217 199 A C 2.238 179.853 177.584 0.051 0.000 1.175 199 A CA 1.170 53.227 52.037 0.034 0.000 0.627 199 A CB -0.524 18.484 19.000 0.012 0.000 0.815 199 A HN 0.330 nan 8.150 nan 0.000 0.443 200 L N -1.205 120.064 121.223 0.077 0.000 2.056 200 L HA -0.147 4.193 4.340 0.001 0.000 0.207 200 L C 2.501 179.436 176.870 0.107 0.000 1.078 200 L CA 0.987 55.871 54.840 0.074 0.000 0.749 200 L CB -0.424 41.676 42.059 0.070 0.000 0.901 200 L HN 0.413 nan 8.230 nan 0.000 0.433 201 L N 0.022 121.352 121.223 0.178 0.000 2.083 201 L HA -0.198 4.143 4.340 0.001 0.000 0.209 201 L C 2.721 179.782 176.870 0.318 0.000 1.083 201 L CA 1.610 56.603 54.840 0.255 0.000 0.752 201 L CB -0.502 41.765 42.059 0.347 0.000 0.899 201 L HN 0.138 nan 8.230 nan 0.000 0.433 202 R N 0.202 120.856 120.500 0.257 0.000 2.115 202 R HA -0.164 4.176 4.340 0.001 0.000 0.226 202 R C 1.904 178.224 176.300 0.033 0.000 1.100 202 R CA 1.568 57.712 56.100 0.074 0.000 0.980 202 R CB -0.061 30.066 30.300 -0.288 0.000 0.875 202 R HN 0.512 nan 8.270 nan 0.000 0.445 203 K N -0.595 119.822 120.400 0.029 0.000 2.358 203 K HA 0.293 4.613 4.320 0.001 0.000 0.197 203 K C -0.117 176.486 176.600 0.005 0.000 1.025 203 K CA 0.098 56.387 56.287 0.003 0.000 1.104 203 K CB 0.749 33.242 32.500 -0.012 0.000 0.855 203 K HN 0.076 nan 8.250 nan 0.000 0.531 204 A N 1.514 124.348 122.820 0.024 0.000 2.386 204 A HA 0.136 4.456 4.320 0.001 0.000 0.248 204 A C 0.347 177.894 177.584 -0.060 0.000 1.082 204 A CA -0.418 51.610 52.037 -0.015 0.000 0.789 204 A CB 0.468 19.470 19.000 0.003 0.000 1.025 204 A HN 0.460 nan 8.150 nan 0.000 0.490 205 E N 0.311 120.432 120.200 -0.131 0.000 2.307 205 E HA 0.039 4.390 4.350 0.001 0.000 0.195 205 E C 0.094 176.428 176.600 -0.443 0.000 0.975 205 E CA 0.483 56.763 56.400 -0.200 0.000 0.878 205 E CB 0.275 29.875 29.700 -0.167 0.000 0.845 205 E HN 0.625 nan 8.360 nan 0.000 0.488 206 R N 1.256 121.414 120.500 -0.570 0.000 2.674 206 R HA 0.211 4.552 4.340 0.001 0.000 0.270 206 R C -2.671 173.329 176.300 -0.499 0.000 1.492 206 R CA -1.301 54.073 56.100 -1.211 0.000 1.624 206 R CB 1.339 30.785 30.300 -1.424 0.000 1.307 206 R HN 0.055 nan 8.270 nan 0.000 0.683 207 P HA 0.266 nan 4.420 nan 0.000 0.276 207 P C -0.398 177.124 177.300 0.370 0.000 1.244 207 P CA -0.325 62.848 63.100 0.121 0.000 0.801 207 P CB 1.816 33.584 31.700 0.114 0.000 1.006 208 V N 2.128 122.197 119.914 0.259 0.000 3.048 208 V HA 0.384 4.504 4.120 0.001 0.000 0.303 208 V C -0.266 175.936 176.094 0.179 0.000 1.214 208 V CA -0.616 61.852 62.300 0.280 0.000 0.984 208 V CB 2.350 34.314 31.823 0.235 0.000 1.054 208 V HN 0.375 nan 8.190 nan 0.000 0.430 209 I N 3.700 124.391 120.570 0.200 0.000 2.474 209 I HA 0.653 4.823 4.170 0.001 0.000 0.294 209 I C -0.957 175.254 176.117 0.156 0.000 1.005 209 I CA -0.929 60.460 61.300 0.147 0.000 1.113 209 I CB 2.155 40.237 38.000 0.137 0.000 1.289 209 I HN 0.244 nan 8.210 nan 0.000 0.436 210 V N 6.891 126.851 119.914 0.077 0.000 2.483 210 V HA 0.453 4.573 4.120 0.001 0.000 0.297 210 V C -0.186 175.916 176.094 0.013 0.000 1.027 210 V CA -0.553 61.775 62.300 0.046 0.000 0.855 210 V CB 1.728 33.527 31.823 -0.039 0.000 0.995 210 V HN 0.466 nan 8.190 nan 0.000 0.424 211 L N 3.947 125.184 121.223 0.023 0.000 2.322 211 L HA 0.907 5.247 4.340 0.001 0.000 0.279 211 L C 0.839 177.698 176.870 -0.018 0.000 1.036 211 L CA -0.151 54.691 54.840 0.003 0.000 0.807 211 L CB 1.697 43.766 42.059 0.016 0.000 1.226 211 L HN 0.764 nan 8.230 nan 0.000 0.433 212 G N -0.389 108.391 108.800 -0.033 0.000 3.209 212 G HA2 0.344 4.305 3.960 0.001 0.000 0.236 212 G HA3 0.344 4.305 3.960 0.001 0.000 0.236 212 G C 0.705 175.578 174.900 -0.044 0.000 1.329 212 G CA 0.318 45.389 45.100 -0.050 0.000 1.015 212 G HN 0.620 nan 8.290 nan 0.000 0.571 213 S N -0.632 115.030 115.700 -0.064 0.000 2.370 213 S HA -0.125 4.345 4.470 0.001 0.000 0.226 213 S C 1.640 176.212 174.600 -0.046 0.000 1.033 213 S CA 1.897 60.062 58.200 -0.059 0.000 1.011 213 S CB -0.312 62.835 63.200 -0.089 0.000 0.852 213 S HN 0.485 nan 8.310 nan 0.000 0.457 214 E N 1.810 121.981 120.200 -0.048 0.000 2.267 214 E HA -0.041 4.310 4.350 0.001 0.000 0.197 214 E C 2.279 178.863 176.600 -0.027 0.000 0.998 214 E CA 1.046 57.424 56.400 -0.037 0.000 0.830 214 E CB -0.600 29.078 29.700 -0.038 0.000 0.751 214 E HN 0.747 nan 8.360 nan 0.000 0.491 215 A N 0.601 123.406 122.820 -0.024 0.000 1.929 215 A HA -0.087 4.233 4.320 0.001 0.000 0.216 215 A C 2.476 180.052 177.584 -0.012 0.000 1.176 215 A CA 1.371 53.399 52.037 -0.015 0.000 0.628 215 A CB -0.257 18.738 19.000 -0.009 0.000 0.816 215 A HN 0.134 nan 8.150 nan 0.000 0.444 216 S N -0.603 115.089 115.700 -0.013 0.000 2.387 216 S HA -0.078 4.392 4.470 0.001 0.000 0.226 216 S C 2.143 176.732 174.600 -0.018 0.000 1.026 216 S CA 0.710 58.903 58.200 -0.012 0.000 0.972 216 S CB -0.237 62.957 63.200 -0.011 0.000 0.814 216 S HN 0.484 nan 8.310 nan 0.000 0.477 217 R N 1.208 121.695 120.500 -0.021 0.000 2.096 217 R HA -0.049 4.292 4.340 0.001 0.000 0.235 217 R C 2.414 178.703 176.300 -0.018 0.000 1.127 217 R CA 1.830 57.917 56.100 -0.021 0.000 0.968 217 R CB -1.607 28.681 30.300 -0.019 0.000 0.861 217 R HN 0.648 nan 8.270 nan 0.000 0.440 218 T N -2.998 111.546 114.554 -0.016 0.000 3.037 218 T HA 0.370 4.721 4.350 0.001 0.000 0.252 218 T C 0.958 175.652 174.700 -0.010 0.000 1.073 218 T CA 0.445 62.537 62.100 -0.013 0.000 1.091 218 T CB 0.234 69.096 68.868 -0.009 0.000 0.935 218 T HN 0.261 nan 8.240 nan 0.000 0.488 219 A N 2.247 125.060 122.820 -0.010 0.000 2.610 219 A HA -0.166 4.154 4.320 0.001 0.000 0.299 219 A C 0.635 178.217 177.584 -0.003 0.000 1.487 219 A CA 0.320 52.352 52.037 -0.008 0.000 0.743 219 A CB -1.945 17.047 19.000 -0.013 0.000 1.070 219 A HN 0.522 nan 8.150 nan 0.000 0.439 220 R N -0.008 120.492 120.500 -0.000 0.000 4.164 220 R HA 0.137 4.477 4.340 0.001 0.000 0.195 220 R C 1.134 177.438 176.300 0.007 0.000 1.712 220 R CA 0.267 56.370 56.100 0.005 0.000 1.457 220 R CB -0.067 30.235 30.300 0.003 0.000 1.387 220 R HN 0.716 nan 8.270 nan 0.000 0.785 221 K N 0.026 120.430 120.400 0.005 0.000 2.025 221 K HA -0.121 4.200 4.320 0.001 0.000 0.207 221 K C 2.133 178.738 176.600 0.009 0.000 1.049 221 K CA 1.991 58.281 56.287 0.005 0.000 0.933 221 K CB 0.040 32.539 32.500 -0.000 0.000 0.714 221 K HN 0.364 nan 8.250 nan 0.000 0.438 222 T N -0.538 114.022 114.554 0.009 0.000 2.867 222 T HA -0.019 4.332 4.350 0.001 0.000 0.268 222 T C 2.039 176.750 174.700 0.018 0.000 1.057 222 T CA 1.043 63.150 62.100 0.010 0.000 1.136 222 T CB -0.122 68.751 68.868 0.008 0.000 0.874 222 T HN 0.152 nan 8.240 nan 0.000 0.466 223 A N 1.476 124.308 122.820 0.019 0.000 1.873 223 A HA 0.168 4.489 4.320 0.001 0.000 0.215 223 A C 2.328 179.945 177.584 0.056 0.000 1.186 223 A CA 1.562 53.614 52.037 0.025 0.000 0.616 223 A CB -1.023 17.979 19.000 0.004 0.000 0.823 223 A HN 0.524 nan 8.150 nan 0.000 0.442 224 L N -0.345 120.910 121.223 0.053 0.000 2.042 224 L HA -0.124 4.217 4.340 0.001 0.000 0.210 224 L C 2.556 179.479 176.870 0.089 0.000 1.076 224 L CA 2.482 57.379 54.840 0.095 0.000 0.749 224 L CB -0.661 41.434 42.059 0.059 0.000 0.893 224 L HN 0.304 nan 8.230 nan 0.000 0.432 225 S N -0.991 114.733 115.700 0.039 0.000 2.356 225 S HA -0.155 4.315 4.470 0.001 0.000 0.223 225 S C 2.084 176.688 174.600 0.006 0.000 1.032 225 S CA 1.149 59.354 58.200 0.009 0.000 1.005 225 S CB -0.423 62.776 63.200 -0.001 0.000 0.867 225 S HN 0.685 nan 8.310 nan 0.000 0.449 226 A N 0.242 123.082 122.820 0.032 0.000 1.933 226 A HA -0.036 4.284 4.320 0.001 0.000 0.218 226 A C 1.951 179.562 177.584 0.044 0.000 1.175 226 A CA 1.449 53.505 52.037 0.030 0.000 0.628 226 A CB -0.906 18.119 19.000 0.040 0.000 0.814 226 A HN 0.664 nan 8.150 nan 0.000 0.444 227 F N 0.534 120.434 119.950 -0.083 0.000 2.102 227 F HA -0.163 4.365 4.527 0.001 0.000 0.298 227 F C 2.166 177.866 175.800 -0.168 0.000 1.105 227 F CA 1.925 59.849 58.000 -0.126 0.000 1.239 227 F CB -0.064 38.875 39.000 -0.102 0.000 0.991 227 F HN 0.042 nan 8.300 nan 0.000 0.474 228 V N 0.769 120.494 119.914 -0.315 0.000 2.343 228 V HA -0.302 3.818 4.120 0.001 0.000 0.247 228 V C 2.719 178.631 176.094 -0.303 0.000 1.051 228 V CA 1.725 63.787 62.300 -0.397 0.000 1.036 228 V CB -1.457 30.248 31.823 -0.197 0.000 0.654 228 V HN 0.513 nan 8.190 nan 0.000 0.451 229 A N -0.210 122.498 122.820 -0.187 0.000 1.972 229 A HA -0.027 4.293 4.320 0.001 0.000 0.219 229 A C 2.320 179.811 177.584 -0.155 0.000 1.169 229 A CA 1.924 53.880 52.037 -0.135 0.000 0.635 229 A CB -0.503 18.451 19.000 -0.076 0.000 0.810 229 A HN 0.568 nan 8.150 nan 0.000 0.446 230 A N -0.791 121.900 122.820 -0.215 0.000 2.021 230 A HA 0.083 4.403 4.320 0.001 0.000 0.216 230 A C 2.266 179.599 177.584 -0.419 0.000 1.163 230 A CA 1.959 53.861 52.037 -0.225 0.000 0.676 230 A CB -0.667 18.233 19.000 -0.168 0.000 0.818 230 A HN 0.676 nan 8.150 nan 0.000 0.453 231 T N -5.082 109.086 114.554 -0.644 0.000 3.015 231 T HA 0.384 4.735 4.350 0.001 0.000 0.250 231 T C 1.461 175.960 174.700 -0.335 0.000 1.057 231 T CA 1.161 62.795 62.100 -0.776 0.000 1.066 231 T CB -0.036 68.127 68.868 -1.175 0.000 0.959 231 T HN 1.604 nan 8.240 nan 0.000 0.488 232 G N 1.211 109.847 108.800 -0.273 0.000 2.179 232 G HA2 -0.208 3.753 3.960 0.001 0.000 0.257 232 G HA3 -0.208 3.753 3.960 0.001 0.000 0.257 232 G C 0.011 174.858 174.900 -0.088 0.000 1.010 232 G CA 0.127 45.147 45.100 -0.133 0.000 0.736 232 G HN 0.736 nan 8.290 nan 0.000 0.513 233 V N 2.409 122.222 119.914 -0.167 0.000 2.432 233 V HA 0.437 4.557 4.120 0.001 0.000 0.275 233 V C -1.128 174.932 176.094 -0.057 0.000 1.043 233 V CA -1.426 60.840 62.300 -0.057 0.000 0.925 233 V CB 1.457 33.215 31.823 -0.110 0.000 0.985 233 V HN 0.246 nan 8.190 nan 0.000 0.466 234 P HA 0.257 nan 4.420 nan 0.000 0.275 234 P C -0.937 176.340 177.300 -0.039 0.000 1.228 234 P CA -0.076 62.972 63.100 -0.088 0.000 0.786 234 P CB 1.104 32.706 31.700 -0.163 0.000 0.927 235 V N 3.272 123.083 119.914 -0.172 0.000 2.540 235 V HA 0.478 4.599 4.120 0.001 0.000 0.302 235 V C -0.071 175.872 176.094 -0.251 0.000 1.035 235 V CA -0.389 61.862 62.300 -0.082 0.000 0.873 235 V CB 1.008 32.795 31.823 -0.060 0.000 0.992 235 V HN 0.392 nan 8.190 nan 0.000 0.428 236 F N 1.682 121.603 119.950 -0.048 0.000 2.594 236 F HA 0.940 5.468 4.527 0.001 0.000 0.335 236 F C 0.417 176.189 175.800 -0.047 0.000 1.058 236 F CA -0.668 57.298 58.000 -0.056 0.000 0.981 236 F CB 2.145 41.098 39.000 -0.079 0.000 1.289 236 F HN 0.667 nan 8.300 nan 0.000 0.490 237 A N 0.453 123.367 122.820 0.156 0.000 2.606 237 A HA 0.579 4.899 4.320 0.001 0.000 0.293 237 A C -1.655 175.947 177.584 0.030 0.000 1.082 237 A CA -0.848 51.229 52.037 0.067 0.000 0.685 237 A CB 1.167 20.195 19.000 0.047 0.000 1.284 237 A HN 0.691 nan 8.150 nan 0.000 0.408 238 D N -0.154 120.234 120.400 -0.019 0.000 2.433 238 D HA 0.253 4.893 4.640 0.001 0.000 0.255 238 D C 0.736 177.048 176.300 0.021 0.000 1.226 238 D CA -0.167 53.776 54.000 -0.095 0.000 1.015 238 D CB -0.036 40.684 40.800 -0.133 0.000 1.091 238 D HN 0.424 nan 8.370 nan 0.000 0.527 239 Y N -0.862 119.512 120.300 0.122 0.000 2.102 239 Y HA -0.163 4.388 4.550 0.001 0.000 0.280 239 Y C 2.426 178.433 175.900 0.179 0.000 1.178 239 Y CA 1.878 60.114 58.100 0.227 0.000 1.146 239 Y CB -0.941 37.616 38.460 0.162 0.000 0.968 239 Y HN 0.513 nan 8.280 nan 0.000 0.504 240 E N -0.339 119.978 120.200 0.195 0.000 2.274 240 E HA -0.040 4.311 4.350 0.001 0.000 0.194 240 E C 2.335 178.979 176.600 0.073 0.000 0.996 240 E CA 1.058 57.508 56.400 0.083 0.000 0.840 240 E CB -0.528 29.169 29.700 -0.004 0.000 0.772 240 E HN 0.407 nan 8.360 nan 0.000 0.491 241 G N -0.222 108.621 108.800 0.072 0.000 2.838 241 G HA2 -0.088 3.872 3.960 0.001 0.000 0.210 241 G HA3 -0.088 3.872 3.960 0.001 0.000 0.210 241 G C 1.299 176.238 174.900 0.066 0.000 1.153 241 G CA 0.267 45.396 45.100 0.048 0.000 0.778 241 G HN 0.288 nan 8.290 nan 0.000 0.539 242 L N 2.303 123.597 121.223 0.118 0.000 2.013 242 L HA -0.140 4.200 4.340 0.001 0.000 0.212 242 L C 2.996 179.894 176.870 0.047 0.000 1.073 242 L CA 2.684 57.575 54.840 0.085 0.000 0.753 242 L CB -0.659 41.460 42.059 0.101 0.000 0.890 242 L HN 0.292 nan 8.230 nan 0.000 0.432 243 S N -1.809 113.938 115.700 0.078 0.000 2.474 243 S HA -0.172 4.299 4.470 0.001 0.000 0.235 243 S C 1.853 176.463 174.600 0.017 0.000 0.997 243 S CA 0.986 59.214 58.200 0.046 0.000 0.949 243 S CB -0.549 62.689 63.200 0.064 0.000 0.766 243 S HN 0.432 nan 8.310 nan 0.000 0.517 244 M N 1.066 120.677 119.600 0.017 0.000 2.632 244 M HA 0.202 4.683 4.480 0.001 0.000 0.256 244 M C 1.361 177.657 176.300 -0.007 0.000 1.080 244 M CA 0.744 56.047 55.300 0.005 0.000 1.084 244 M CB -1.055 31.550 32.600 0.008 0.000 1.439 244 M HN 0.445 nan 8.290 nan 0.000 0.509 245 L N -1.807 119.405 121.223 -0.017 0.000 2.567 245 L HA 0.049 4.390 4.340 0.001 0.000 0.225 245 L C 2.011 178.853 176.870 -0.046 0.000 1.119 245 L CA -0.015 54.800 54.840 -0.041 0.000 0.871 245 L CB -0.436 41.586 42.059 -0.063 0.000 1.036 245 L HN 0.115 nan 8.230 nan 0.000 0.459 246 S N 0.697 116.376 115.700 -0.034 0.000 2.447 246 S HA -0.057 4.413 4.470 0.001 0.000 0.233 246 S C 1.829 176.407 174.600 -0.036 0.000 1.006 246 S CA 1.196 59.374 58.200 -0.036 0.000 0.957 246 S CB -0.088 63.097 63.200 -0.025 0.000 0.773 246 S HN 0.599 nan 8.310 nan 0.000 0.507 247 G N 0.391 109.172 108.800 -0.032 0.000 3.233 247 G HA2 0.368 4.329 3.960 0.001 0.000 0.234 247 G HA3 0.368 4.329 3.960 0.001 0.000 0.234 247 G C 0.194 175.071 174.900 -0.037 0.000 1.137 247 G CA -0.297 44.785 45.100 -0.030 0.000 0.763 247 G HN 0.290 nan 8.290 nan 0.000 0.549 248 L N 0.852 122.047 121.223 -0.048 0.000 2.399 248 L HA 0.363 4.704 4.340 0.001 0.000 0.266 248 L C -2.032 174.797 176.870 -0.067 0.000 1.114 248 L CA -2.031 52.773 54.840 -0.059 0.000 0.804 248 L CB 1.220 43.236 42.059 -0.072 0.000 1.146 248 L HN -0.117 nan 8.230 nan 0.000 0.451 249 P HA 0.034 nan 4.420 nan 0.000 0.268 249 P C -0.122 177.126 177.300 -0.086 0.000 1.205 249 P CA -0.237 62.821 63.100 -0.071 0.000 0.771 249 P CB 0.570 32.230 31.700 -0.068 0.000 0.858 250 D N 2.072 122.422 120.400 -0.083 0.000 2.149 250 D HA -0.168 4.473 4.640 0.001 0.000 0.198 250 D C 1.733 177.967 176.300 -0.110 0.000 0.990 250 D CA 1.616 55.559 54.000 -0.096 0.000 0.839 250 D CB -0.244 40.505 40.800 -0.085 0.000 0.948 250 D HN 0.406 nan 8.370 nan 0.000 0.460 251 A N 0.850 123.611 122.820 -0.099 0.000 2.125 251 A HA -0.112 4.208 4.320 0.001 0.000 0.219 251 A C 1.835 179.339 177.584 -0.135 0.000 1.156 251 A CA 0.972 52.946 52.037 -0.106 0.000 0.671 251 A CB -0.252 18.700 19.000 -0.080 0.000 0.794 251 A HN 0.196 nan 8.150 nan 0.000 0.459 252 M N -1.122 118.392 119.600 -0.143 0.000 2.405 252 M HA 0.291 4.772 4.480 0.001 0.000 0.292 252 M C -0.198 175.971 176.300 -0.218 0.000 1.111 252 M CA 0.097 55.295 55.300 -0.170 0.000 0.979 252 M CB -0.180 32.334 32.600 -0.143 0.000 1.426 252 M HN 0.122 nan 8.290 nan 0.000 0.509 253 R N 1.191 121.557 120.500 -0.223 0.000 2.205 253 R HA 0.429 4.769 4.340 0.001 0.000 0.342 253 R C 1.277 177.347 176.300 -0.382 0.000 1.058 253 R CA -0.150 55.794 56.100 -0.260 0.000 0.904 253 R CB 0.875 31.066 30.300 -0.182 0.000 1.089 253 R HN 0.333 nan 8.270 nan 0.000 0.471 254 G N 1.652 110.051 108.800 -0.668 0.000 2.494 254 G HA2 0.223 4.184 3.960 0.001 0.000 0.216 254 G HA3 0.223 4.184 3.960 0.001 0.000 0.216 254 G C 0.756 175.249 174.900 -0.679 0.000 1.140 254 G CA 0.641 45.048 45.100 -1.154 0.000 0.801 254 G HN 0.884 nan 8.290 nan 0.000 0.536 255 G N -0.449 108.105 108.800 -0.411 0.000 2.508 255 G HA2 -0.176 3.785 3.960 0.001 0.000 0.220 255 G HA3 -0.176 3.785 3.960 0.001 0.000 0.220 255 G C -0.192 174.730 174.900 0.037 0.000 1.287 255 G CA -0.399 44.629 45.100 -0.121 0.000 0.916 255 G HN 0.562 nan 8.290 nan 0.000 0.574 256 L N 1.247 122.531 121.223 0.102 0.000 2.426 256 L HA 0.265 4.605 4.340 0.001 0.000 0.271 256 L C 2.391 179.387 176.870 0.210 0.000 1.169 256 L CA -0.081 54.837 54.840 0.130 0.000 0.836 256 L CB 1.153 43.279 42.059 0.111 0.000 1.112 256 L HN 0.772 nan 8.230 nan 0.000 0.465 257 V N 0.218 120.204 119.914 0.119 0.000 2.453 257 V HA -0.320 3.801 4.120 0.001 0.000 0.252 257 V C 2.300 178.377 176.094 -0.028 0.000 1.068 257 V CA 1.959 64.258 62.300 -0.001 0.000 1.070 257 V CB -1.420 30.344 31.823 -0.098 0.000 0.664 257 V HN 1.081 nan 8.190 nan 0.000 0.461 258 Q N 3.603 123.412 119.800 0.015 0.000 2.173 258 Q HA -0.321 4.019 4.340 0.001 0.000 0.208 258 Q C 1.625 177.687 176.000 0.104 0.000 0.989 258 Q CA 2.446 58.274 55.803 0.041 0.000 0.872 258 Q CB -1.046 27.719 28.738 0.045 0.000 0.909 258 Q HN 0.847 nan 8.270 nan 0.000 0.420 259 N N 0.126 118.919 118.700 0.154 0.000 2.434 259 N HA -0.019 4.722 4.740 0.001 0.000 0.196 259 N C 0.964 176.644 175.510 0.282 0.000 1.183 259 N CA 0.123 53.317 53.050 0.240 0.000 0.849 259 N CB 0.098 38.740 38.487 0.259 0.000 0.992 259 N HN 0.140 nan 8.380 nan 0.000 0.460 260 L N -0.340 120.881 121.223 -0.003 0.000 2.465 260 L HA 0.080 4.420 4.340 0.001 0.000 0.224 260 L C 1.649 178.545 176.870 0.043 0.000 1.145 260 L CA 0.697 55.331 54.840 -0.343 0.000 0.834 260 L CB -1.177 40.500 42.059 -0.636 0.000 0.944 260 L HN 0.242 nan 8.230 nan 0.000 0.451 261 Y N 0.405 120.736 120.300 0.053 0.000 2.081 261 Y HA -0.337 4.214 4.550 0.001 0.000 0.280 261 Y C 2.588 178.573 175.900 0.141 0.000 1.163 261 Y CA 2.151 60.294 58.100 0.073 0.000 1.135 261 Y CB -0.228 38.265 38.460 0.056 0.000 0.970 261 Y HN 0.363 nan 8.280 nan 0.000 0.498 262 S N -1.023 114.856 115.700 0.298 0.000 2.631 262 S HA -0.007 4.463 4.470 0.001 0.000 0.217 262 S C 1.581 176.261 174.600 0.134 0.000 0.958 262 S CA -0.126 58.166 58.200 0.153 0.000 0.920 262 S CB -1.287 62.036 63.200 0.206 0.000 0.776 262 S HN 0.442 nan 8.310 nan 0.000 0.517 263 F N 2.039 121.980 119.950 -0.014 0.000 2.171 263 F HA -0.000 4.527 4.527 0.001 0.000 0.300 263 F C 2.828 178.630 175.800 0.003 0.000 1.090 263 F CA 0.927 58.942 58.000 0.025 0.000 1.293 263 F CB -0.416 38.616 39.000 0.053 0.000 1.013 263 F HN 0.381 nan 8.300 nan 0.000 0.486 264 A N -0.048 122.844 122.820 0.119 0.000 1.858 264 A HA -0.175 4.145 4.320 0.001 0.000 0.216 264 A C 2.040 179.626 177.584 0.004 0.000 1.190 264 A CA 1.344 53.401 52.037 0.033 0.000 0.617 264 A CB -0.443 18.532 19.000 -0.042 0.000 0.827 264 A HN 0.056 nan 8.150 nan 0.000 0.443 265 K N 0.172 120.557 120.400 -0.026 0.000 2.519 265 K HA 0.068 4.389 4.320 0.001 0.000 0.196 265 K C 1.293 177.887 176.600 -0.010 0.000 1.041 265 K CA 0.964 57.238 56.287 -0.021 0.000 0.954 265 K CB -0.662 31.823 32.500 -0.026 0.000 0.774 265 K HN 0.491 nan 8.250 nan 0.000 0.480 266 A N 0.405 123.219 122.820 -0.009 0.000 2.470 266 A HA 0.112 4.433 4.320 0.001 0.000 0.251 266 A C -0.386 177.199 177.584 0.003 0.000 1.245 266 A CA -0.130 51.894 52.037 -0.022 0.000 0.932 266 A CB 0.247 19.200 19.000 -0.079 0.000 1.037 266 A HN 0.222 nan 8.150 nan 0.000 0.522 267 D N -1.737 118.678 120.400 0.024 0.000 2.945 267 D HA -0.196 4.445 4.640 0.001 0.000 0.225 267 D C 0.572 176.914 176.300 0.070 0.000 1.158 267 D CA 1.084 55.106 54.000 0.036 0.000 0.805 267 D CB -1.344 39.470 40.800 0.023 0.000 1.098 267 D HN 0.689 nan 8.370 nan 0.000 0.426 268 A N -0.720 122.174 122.820 0.124 0.000 2.610 268 A HA 0.610 4.931 4.320 0.001 0.000 0.291 268 A C 0.896 178.722 177.584 0.403 0.000 1.116 268 A CA 0.595 52.786 52.037 0.257 0.000 0.963 268 A CB 0.538 19.687 19.000 0.249 0.000 1.220 268 A HN 0.384 nan 8.150 nan 0.000 0.530 269 A N 1.631 124.591 122.820 0.232 0.000 2.548 269 A HA 0.508 4.829 4.320 0.001 0.000 0.247 269 A C -2.288 175.372 177.584 0.126 0.000 1.067 269 A CA -0.682 51.469 52.037 0.191 0.000 0.757 269 A CB -0.511 18.535 19.000 0.077 0.000 0.996 269 A HN 0.293 nan 8.150 nan 0.000 0.504 270 P HA -0.023 nan 4.420 nan 0.000 0.266 270 P C 0.227 177.511 177.300 -0.028 0.000 1.186 270 P CA 0.206 63.340 63.100 0.057 0.000 0.767 270 P CB 0.609 32.334 31.700 0.042 0.000 0.820 271 D N 1.356 121.703 120.400 -0.089 0.000 2.216 271 D HA 0.078 4.718 4.640 0.001 0.000 0.208 271 D C 0.108 176.392 176.300 -0.027 0.000 0.960 271 D CA 0.830 54.780 54.000 -0.084 0.000 0.861 271 D CB 0.232 40.940 40.800 -0.155 0.000 0.985 271 D HN 0.210 nan 8.370 nan 0.000 0.493 272 L N 0.165 121.384 121.223 -0.007 0.000 2.513 272 L HA 0.447 4.787 4.340 0.001 0.000 0.261 272 L C -1.855 175.041 176.870 0.044 0.000 0.945 272 L CA -0.730 54.126 54.840 0.026 0.000 0.848 272 L CB 2.194 44.274 42.059 0.035 0.000 1.334 272 L HN -0.213 nan 8.230 nan 0.000 0.407 273 V N 5.493 125.433 119.914 0.043 0.000 2.577 273 V HA 0.571 4.691 4.120 0.001 0.000 0.303 273 V C -1.593 174.525 176.094 0.040 0.000 1.042 273 V CA -0.588 61.733 62.300 0.036 0.000 0.872 273 V CB 1.890 33.707 31.823 -0.011 0.000 0.998 273 V HN 0.721 nan 8.190 nan 0.000 0.423 274 L N 7.821 129.077 121.223 0.055 0.000 2.259 274 L HA 0.626 4.966 4.340 0.001 0.000 0.288 274 L C -0.139 176.743 176.870 0.020 0.000 1.051 274 L CA 0.044 54.916 54.840 0.054 0.000 0.824 274 L CB 1.005 43.123 42.059 0.099 0.000 1.206 274 L HN 0.779 nan 8.230 nan 0.000 0.429 275 M N 6.846 126.434 119.600 -0.019 0.000 2.077 275 M HA 0.328 4.809 4.480 0.001 0.000 0.348 275 M C -0.794 175.478 176.300 -0.046 0.000 1.252 275 M CA 0.010 55.270 55.300 -0.066 0.000 1.096 275 M CB 0.669 33.177 32.600 -0.154 0.000 1.568 275 M HN 0.445 nan 8.290 nan 0.000 0.456 276 L N 3.545 124.747 121.223 -0.034 0.000 2.360 276 L HA 0.442 4.783 4.340 0.001 0.000 0.265 276 L C 1.012 177.858 176.870 -0.040 0.000 1.066 276 L CA -0.283 54.540 54.840 -0.029 0.000 0.929 276 L CB 0.573 42.624 42.059 -0.013 0.000 1.306 276 L HN 1.097 nan 8.230 nan 0.000 0.434 277 G N 1.899 110.669 108.800 -0.050 0.000 2.179 277 G HA2 -0.288 3.673 3.960 0.001 0.000 0.260 277 G HA3 -0.288 3.673 3.960 0.001 0.000 0.260 277 G C 0.411 175.267 174.900 -0.074 0.000 0.977 277 G CA 0.083 45.150 45.100 -0.055 0.000 0.641 277 G HN 0.744 nan 8.290 nan 0.000 0.533 278 A N 0.688 123.452 122.820 -0.093 0.000 2.354 278 A HA 0.739 5.060 4.320 0.001 0.000 0.281 278 A C 0.778 178.262 177.584 -0.166 0.000 1.174 278 A CA -0.085 51.879 52.037 -0.121 0.000 0.828 278 A CB 0.259 19.179 19.000 -0.133 0.000 1.099 278 A HN 0.523 nan 8.150 nan 0.000 0.516 279 R N 1.190 121.626 120.500 -0.106 0.000 2.528 279 R HA 0.379 4.719 4.340 0.001 0.000 0.271 279 R C -1.092 175.133 176.300 -0.126 0.000 1.056 279 R CA -0.330 55.730 56.100 -0.067 0.000 1.117 279 R CB 0.652 30.995 30.300 0.072 0.000 1.085 279 R HN 0.648 nan 8.270 nan 0.000 0.530 280 F N 0.835 120.801 119.950 0.026 0.000 2.502 280 F HA 0.319 4.846 4.527 0.001 0.000 0.371 280 F C 1.299 177.091 175.800 -0.013 0.000 1.083 280 F CA 1.098 59.102 58.000 0.007 0.000 1.174 280 F CB 0.934 39.946 39.000 0.021 0.000 1.096 280 F HN 0.668 nan 8.300 nan 0.000 0.545 281 G N 2.182 111.019 108.800 0.062 0.000 2.356 281 G HA2 0.144 4.104 3.960 0.001 0.000 0.281 281 G HA3 0.144 4.104 3.960 0.001 0.000 0.281 281 G C -0.280 174.330 174.900 -0.484 0.000 1.246 281 G CA -0.651 44.348 45.100 -0.168 0.000 0.889 281 G HN 0.528 nan 8.290 nan 0.000 0.486 282 L N 0.696 121.612 121.223 -0.511 0.000 2.013 282 L HA -0.031 4.310 4.340 0.001 0.000 0.212 282 L C 2.217 178.961 176.870 -0.210 0.000 1.073 282 L CA 2.867 57.451 54.840 -0.428 0.000 0.753 282 L CB -0.572 41.421 42.059 -0.111 0.000 0.890 282 L HN 0.534 nan 8.230 nan 0.000 0.432 283 N N -1.031 117.647 118.700 -0.037 0.000 2.396 283 N HA -0.078 4.663 4.740 0.001 0.000 0.180 283 N C 1.280 176.719 175.510 -0.119 0.000 1.028 283 N CA 1.530 54.529 53.050 -0.085 0.000 0.893 283 N CB -0.307 38.121 38.487 -0.097 0.000 0.967 283 N HN 0.640 nan 8.380 nan 0.000 0.440 284 T N -3.736 110.747 114.554 -0.119 0.000 3.134 284 T HA 0.405 4.756 4.350 0.001 0.000 0.260 284 T C 1.090 175.758 174.700 -0.053 0.000 1.027 284 T CA 0.156 62.195 62.100 -0.102 0.000 0.913 284 T CB 0.496 69.285 68.868 -0.132 0.000 1.046 284 T HN 0.203 nan 8.240 nan 0.000 0.553 285 G N 1.758 110.501 108.800 -0.095 0.000 2.149 285 G HA2 -0.250 3.710 3.960 0.001 0.000 0.235 285 G HA3 -0.250 3.710 3.960 0.001 0.000 0.235 285 G C 0.268 175.238 174.900 0.116 0.000 1.018 285 G CA 0.416 45.524 45.100 0.013 0.000 0.728 285 G HN 0.898 nan 8.290 nan 0.000 0.508 286 H N -1.730 117.400 119.070 0.100 0.000 1.452 286 H HA -0.245 4.312 4.556 0.001 0.000 0.090 286 H C 2.002 177.413 175.328 0.138 0.000 1.001 286 H CA 2.583 58.693 56.048 0.103 0.000 1.901 286 H CB -1.226 28.561 29.762 0.042 0.000 2.257 286 H HN 1.168 nan 8.280 nan 0.000 0.961 287 G N -0.826 108.108 108.800 0.224 0.000 3.434 287 G HA2 0.228 4.189 3.960 0.001 0.000 0.258 287 G HA3 0.228 4.189 3.960 0.001 0.000 0.258 287 G C 1.121 176.131 174.900 0.184 0.000 1.128 287 G CA 0.596 45.766 45.100 0.116 0.000 0.792 287 G HN 0.693 nan 8.290 nan 0.000 0.539 288 S N -0.465 115.322 115.700 0.146 0.000 2.453 288 S HA 0.245 4.715 4.470 0.001 0.000 0.231 288 S C 2.047 176.571 174.600 -0.127 0.000 1.005 288 S CA 1.132 59.381 58.200 0.082 0.000 0.949 288 S CB -0.218 63.035 63.200 0.089 0.000 0.774 288 S HN 1.406 nan 8.310 nan 0.000 0.510 289 G N 0.834 109.499 108.800 -0.225 0.000 2.148 289 G HA2 -0.314 3.646 3.960 0.001 0.000 0.254 289 G HA3 -0.314 3.646 3.960 0.001 0.000 0.254 289 G C 0.599 175.343 174.900 -0.260 0.000 0.981 289 G CA 0.544 45.342 45.100 -0.503 0.000 0.670 289 G HN 0.565 nan 8.290 nan 0.000 0.528 290 Q N -1.025 118.705 119.800 -0.116 0.000 2.245 290 Q HA 0.255 4.595 4.340 0.001 0.000 0.201 290 Q C 2.548 178.507 176.000 -0.068 0.000 0.955 290 Q CA 1.288 57.044 55.803 -0.079 0.000 0.870 290 Q CB 0.037 28.802 28.738 0.044 0.000 0.945 290 Q HN 0.718 nan 8.270 nan 0.000 0.461 291 L N -0.785 120.407 121.223 -0.051 0.000 2.519 291 L HA 0.182 4.522 4.340 0.001 0.000 0.194 291 L C 0.402 177.195 176.870 -0.130 0.000 1.072 291 L CA -0.125 54.660 54.840 -0.093 0.000 0.845 291 L CB 0.479 42.493 42.059 -0.075 0.000 1.138 291 L HN 0.063 nan 8.230 nan 0.000 0.487 292 I N 2.216 122.749 120.570 -0.062 0.000 2.282 292 I HA 0.292 4.463 4.170 0.001 0.000 0.290 292 I C -2.338 173.776 176.117 -0.006 0.000 1.090 292 I CA -2.239 59.051 61.300 -0.016 0.000 1.231 292 I CB -0.188 37.870 38.000 0.097 0.000 1.434 292 I HN -0.198 nan 8.210 nan 0.000 0.487 293 P HA 0.062 nan 4.420 nan 0.000 0.269 293 P C 0.810 178.126 177.300 0.026 0.000 1.209 293 P CA 0.083 63.147 63.100 -0.059 0.000 0.776 293 P CB 0.497 32.182 31.700 -0.025 0.000 0.876 294 H N 0.607 119.685 119.070 0.014 0.000 2.456 294 H HA -0.077 4.479 4.556 0.001 0.000 0.296 294 H C 1.638 176.968 175.328 0.004 0.000 1.079 294 H CA 1.923 57.974 56.048 0.005 0.000 1.322 294 H CB -0.613 29.145 29.762 -0.006 0.000 1.388 294 H HN 0.421 nan 8.280 nan 0.000 0.538 295 S N -0.518 115.252 115.700 0.117 0.000 2.558 295 S HA 0.328 4.799 4.470 0.001 0.000 0.217 295 S C 1.259 175.885 174.600 0.043 0.000 0.975 295 S CA 0.023 58.261 58.200 0.064 0.000 0.912 295 S CB 0.192 63.416 63.200 0.040 0.000 0.776 295 S HN 0.388 nan 8.310 nan 0.000 0.526 296 A N 1.397 124.246 122.820 0.049 0.000 2.322 296 A HA 0.490 4.810 4.320 0.001 0.000 0.269 296 A C 0.099 177.712 177.584 0.048 0.000 1.094 296 A CA -0.577 51.482 52.037 0.036 0.000 0.807 296 A CB 0.314 19.332 19.000 0.031 0.000 1.047 296 A HN 0.482 nan 8.150 nan 0.000 0.487 297 Q N 0.351 120.174 119.800 0.038 0.000 2.267 297 Q HA 0.464 4.805 4.340 0.001 0.000 0.255 297 Q C -1.081 174.955 176.000 0.060 0.000 0.923 297 Q CA -0.318 55.513 55.803 0.047 0.000 0.925 297 Q CB 1.587 30.346 28.738 0.036 0.000 1.195 297 Q HN 0.487 nan 8.270 nan 0.000 0.417 298 V N 4.900 124.861 119.914 0.078 0.000 2.417 298 V HA 0.418 4.539 4.120 0.001 0.000 0.291 298 V C -0.215 175.926 176.094 0.079 0.000 1.024 298 V CA -0.600 61.755 62.300 0.092 0.000 0.861 298 V CB 1.443 33.362 31.823 0.160 0.000 0.985 298 V HN 0.641 nan 8.190 nan 0.000 0.436 299 I N 4.554 125.162 120.570 0.064 0.000 2.339 299 I HA 0.458 4.628 4.170 0.001 0.000 0.290 299 I C -0.056 176.085 176.117 0.040 0.000 0.994 299 I CA -0.112 61.220 61.300 0.054 0.000 1.191 299 I CB 1.394 39.427 38.000 0.055 0.000 1.343 299 I HN 0.610 nan 8.210 nan 0.000 0.458 300 Q N 5.598 125.423 119.800 0.042 0.000 2.331 300 Q HA 0.607 4.948 4.340 0.001 0.000 0.267 300 Q C -1.668 174.341 176.000 0.014 0.000 1.006 300 Q CA -0.675 55.141 55.803 0.022 0.000 0.818 300 Q CB 2.463 31.232 28.738 0.052 0.000 1.276 300 Q HN 0.494 nan 8.270 nan 0.000 0.450 301 V N 4.398 124.309 119.914 -0.005 0.000 2.378 301 V HA 0.492 4.612 4.120 0.001 0.000 0.288 301 V C -0.670 175.415 176.094 -0.015 0.000 1.016 301 V CA -0.540 61.755 62.300 -0.009 0.000 0.840 301 V CB 1.663 33.475 31.823 -0.018 0.000 0.994 301 V HN 0.793 nan 8.190 nan 0.000 0.431 302 D N 5.779 126.175 120.400 -0.007 0.000 2.837 302 D HA 0.340 4.980 4.640 0.001 0.000 0.220 302 D C -2.271 174.026 176.300 -0.005 0.000 1.236 302 D CA -1.198 52.796 54.000 -0.010 0.000 0.838 302 D CB 3.867 44.664 40.800 -0.005 0.000 1.647 302 D HN 0.238 nan 8.370 nan 0.000 0.486 303 P HA 0.011 nan 4.420 nan 0.000 0.233 303 P C -0.008 177.292 177.300 0.001 0.000 1.167 303 P CA 0.565 63.662 63.100 -0.005 0.000 0.770 303 P CB 0.494 32.188 31.700 -0.009 0.000 0.837 304 D N -0.187 120.214 120.400 0.001 0.000 2.441 304 D HA 0.379 5.019 4.640 0.001 0.000 0.231 304 D C 1.184 177.497 176.300 0.021 0.000 1.073 304 D CA -0.706 53.300 54.000 0.010 0.000 0.850 304 D CB 1.343 42.144 40.800 0.002 0.000 1.062 304 D HN -0.172 nan 8.370 nan 0.000 0.524 305 A N 3.047 125.882 122.820 0.024 0.000 2.032 305 A HA -0.225 4.096 4.320 0.001 0.000 0.221 305 A C 2.348 179.955 177.584 0.038 0.000 1.165 305 A CA 1.302 53.357 52.037 0.030 0.000 0.645 305 A CB -0.684 18.332 19.000 0.026 0.000 0.807 305 A HN 0.759 nan 8.150 nan 0.000 0.453 306 C N -0.502 118.821 119.300 0.040 0.000 2.413 306 C HA -0.076 4.385 4.460 0.001 0.000 0.277 306 C C 2.553 177.579 174.990 0.060 0.000 1.265 306 C CA 1.182 60.228 59.018 0.046 0.000 1.752 306 C CB -0.963 26.806 27.740 0.048 0.000 1.998 306 C HN 0.604 nan 8.230 nan 0.000 0.489 307 E N 0.217 120.455 120.200 0.063 0.000 2.285 307 E HA 0.017 4.368 4.350 0.001 0.000 0.194 307 E C 0.500 177.180 176.600 0.134 0.000 0.997 307 E CA 0.338 56.794 56.400 0.093 0.000 0.845 307 E CB -0.316 29.423 29.700 0.066 0.000 0.782 307 E HN 0.397 nan 8.360 nan 0.000 0.491 308 L N 1.428 122.711 121.223 0.100 0.000 2.704 308 L HA 0.065 4.405 4.340 0.001 0.000 0.279 308 L C 1.176 178.125 176.870 0.131 0.000 1.147 308 L CA 0.996 55.904 54.840 0.114 0.000 0.994 308 L CB -0.973 41.129 42.059 0.071 0.000 1.332 308 L HN 0.273 nan 8.230 nan 0.000 0.471 309 G N 3.149 112.087 108.800 0.230 0.000 2.246 309 G HA2 -0.380 3.580 3.960 0.001 0.000 0.273 309 G HA3 -0.380 3.580 3.960 0.001 0.000 0.273 309 G C 1.290 176.178 174.900 -0.020 0.000 1.055 309 G CA 0.720 45.889 45.100 0.114 0.000 0.851 309 G HN 0.771 nan 8.290 nan 0.000 0.500 310 R N -0.680 119.860 120.500 0.066 0.000 2.120 310 R HA 0.162 4.503 4.340 0.001 0.000 0.234 310 R C 1.839 178.086 176.300 -0.087 0.000 1.123 310 R CA 1.979 58.088 56.100 0.015 0.000 0.975 310 R CB -0.204 30.147 30.300 0.084 0.000 0.866 310 R HN 0.525 nan 8.270 nan 0.000 0.446 311 L N -0.859 120.209 121.223 -0.259 0.000 2.858 311 L HA 0.373 4.713 4.340 0.001 0.000 0.251 311 L C 0.058 176.680 176.870 -0.413 0.000 1.149 311 L CA -0.320 54.353 54.840 -0.277 0.000 0.955 311 L CB 0.596 42.561 42.059 -0.156 0.000 1.289 311 L HN 0.243 nan 8.230 nan 0.000 0.542 312 Q N -0.274 119.187 119.800 -0.565 0.000 2.479 312 Q HA 0.426 4.766 4.340 0.001 0.000 0.276 312 Q C -0.555 175.271 176.000 -0.290 0.000 0.989 312 Q CA -0.572 54.950 55.803 -0.469 0.000 0.864 312 Q CB 2.306 30.636 28.738 -0.681 0.000 1.444 312 Q HN 0.133 nan 8.270 nan 0.000 0.388 313 G N 2.800 111.506 108.800 -0.157 0.000 2.340 313 G HA2 0.415 4.375 3.960 0.001 0.000 0.245 313 G HA3 0.415 4.375 3.960 0.001 0.000 0.245 313 G C -0.036 174.862 174.900 -0.004 0.000 1.294 313 G CA -0.036 45.022 45.100 -0.070 0.000 0.896 313 G HN 0.587 nan 8.290 nan 0.000 0.522 314 I N -0.372 120.216 120.570 0.030 0.000 2.957 314 I HA 0.797 4.967 4.170 0.001 0.000 0.310 314 I C 0.828 176.977 176.117 0.052 0.000 1.063 314 I CA -1.323 60.023 61.300 0.078 0.000 1.033 314 I CB 2.300 40.377 38.000 0.128 0.000 1.230 314 I HN 0.423 nan 8.210 nan 0.000 0.447 315 A N 2.865 125.719 122.820 0.057 0.000 2.014 315 A HA 0.467 4.788 4.320 0.001 0.000 0.210 315 A C 0.354 177.962 177.584 0.039 0.000 1.188 315 A CA 0.616 52.678 52.037 0.042 0.000 0.731 315 A CB 0.107 19.131 19.000 0.041 0.000 0.858 315 A HN 0.653 nan 8.150 nan 0.000 0.464 316 L N -1.251 120.000 121.223 0.047 0.000 2.543 316 L HA 0.672 5.013 4.340 0.001 0.000 0.265 316 L C -0.599 176.297 176.870 0.044 0.000 0.945 316 L CA -0.057 54.807 54.840 0.040 0.000 0.869 316 L CB 1.560 43.642 42.059 0.038 0.000 1.294 316 L HN 0.107 nan 8.230 nan 0.000 0.405 317 G N 5.764 114.587 108.800 0.038 0.000 2.574 317 G HA2 0.662 4.623 3.960 0.001 0.000 0.306 317 G HA3 0.662 4.623 3.960 0.001 0.000 0.306 317 G C -1.181 173.735 174.900 0.027 0.000 1.334 317 G CA -0.303 44.820 45.100 0.039 0.000 0.954 317 G HN 0.532 nan 8.290 nan 0.000 0.500 318 I N 2.576 123.159 120.570 0.023 0.000 2.418 318 I HA 0.273 4.444 4.170 0.001 0.000 0.287 318 I C -0.075 176.048 176.117 0.010 0.000 1.008 318 I CA -1.191 60.117 61.300 0.013 0.000 1.104 318 I CB 2.351 40.355 38.000 0.007 0.000 1.264 318 I HN 0.276 nan 8.210 nan 0.000 0.438 319 V N 6.844 126.763 119.914 0.009 0.000 2.368 319 V HA 0.906 5.026 4.120 0.001 0.000 0.266 319 V C -0.044 176.051 176.094 0.001 0.000 1.045 319 V CA 0.325 62.629 62.300 0.006 0.000 0.899 319 V CB 0.457 32.286 31.823 0.010 0.000 1.006 319 V HN 0.905 nan 8.190 nan 0.000 0.470 320 A N 4.399 127.216 122.820 -0.004 0.000 2.536 320 A HA 0.605 4.926 4.320 0.001 0.000 0.293 320 A C -1.187 176.391 177.584 -0.010 0.000 1.119 320 A CA -0.514 51.519 52.037 -0.008 0.000 0.654 320 A CB 1.073 20.066 19.000 -0.012 0.000 1.291 320 A HN 0.872 nan 8.150 nan 0.000 0.439 321 D N -0.525 119.868 120.400 -0.011 0.000 2.304 321 D HA 0.431 5.072 4.640 0.001 0.000 0.250 321 D C 1.062 177.350 176.300 -0.020 0.000 1.107 321 D CA 0.037 54.030 54.000 -0.012 0.000 0.885 321 D CB 1.382 42.180 40.800 -0.004 0.000 1.192 321 D HN 0.192 nan 8.370 nan 0.000 0.436 322 V N 3.699 123.600 119.914 -0.022 0.000 2.358 322 V HA -0.056 4.064 4.120 0.001 0.000 0.246 322 V C 2.285 178.360 176.094 -0.032 0.000 1.047 322 V CA 2.159 64.442 62.300 -0.030 0.000 1.035 322 V CB -0.828 30.978 31.823 -0.028 0.000 0.658 322 V HN 0.825 nan 8.190 nan 0.000 0.452 323 G N 0.114 108.901 108.800 -0.021 0.000 2.418 323 G HA2 -0.157 3.803 3.960 0.001 0.000 0.217 323 G HA3 -0.157 3.803 3.960 0.001 0.000 0.217 323 G C 1.644 176.534 174.900 -0.018 0.000 1.158 323 G CA 0.937 46.028 45.100 -0.016 0.000 0.771 323 G HN 0.578 nan 8.290 nan 0.000 0.545 324 G N 0.170 108.963 108.800 -0.012 0.000 2.422 324 G HA2 -0.150 3.811 3.960 0.001 0.000 0.218 324 G HA3 -0.150 3.811 3.960 0.001 0.000 0.218 324 G C 1.846 176.718 174.900 -0.045 0.000 1.146 324 G CA 1.771 46.862 45.100 -0.015 0.000 0.769 324 G HN 0.391 nan 8.290 nan 0.000 0.547 325 T N 1.331 115.851 114.554 -0.057 0.000 2.737 325 T HA -0.042 4.309 4.350 0.001 0.000 0.265 325 T C 2.390 177.002 174.700 -0.148 0.000 1.038 325 T CA 0.981 63.027 62.100 -0.090 0.000 1.144 325 T CB -0.171 68.650 68.868 -0.079 0.000 0.866 325 T HN 0.243 nan 8.240 nan 0.000 0.434 326 I N 0.857 121.344 120.570 -0.138 0.000 2.118 326 I HA -0.220 3.951 4.170 0.001 0.000 0.241 326 I C 2.751 178.766 176.117 -0.171 0.000 1.070 326 I CA 1.449 62.640 61.300 -0.181 0.000 1.327 326 I CB -0.351 37.596 38.000 -0.089 0.000 1.034 326 I HN 0.205 nan 8.210 nan 0.000 0.405 327 E N 0.954 121.096 120.200 -0.096 0.000 2.097 327 E HA -0.236 4.114 4.350 0.001 0.000 0.196 327 E C 2.098 178.646 176.600 -0.086 0.000 1.000 327 E CA 1.740 58.099 56.400 -0.069 0.000 0.804 327 E CB -0.169 29.507 29.700 -0.039 0.000 0.740 327 E HN 0.485 nan 8.360 nan 0.000 0.454 328 A N -0.256 122.503 122.820 -0.102 0.000 1.968 328 A HA -0.054 4.266 4.320 0.001 0.000 0.217 328 A C 2.157 179.664 177.584 -0.127 0.000 1.169 328 A CA 0.888 52.869 52.037 -0.093 0.000 0.638 328 A CB -0.452 18.502 19.000 -0.077 0.000 0.812 328 A HN 0.287 nan 8.150 nan 0.000 0.446 329 L N -0.807 120.267 121.223 -0.249 0.000 2.093 329 L HA -0.141 4.199 4.340 0.001 0.000 0.208 329 L C 3.049 179.776 176.870 -0.237 0.000 1.085 329 L CA 0.972 55.568 54.840 -0.407 0.000 0.755 329 L CB -0.450 40.994 42.059 -1.024 0.000 0.904 329 L HN 0.410 nan 8.230 nan 0.000 0.435 330 A N -0.652 122.073 122.820 -0.159 0.000 1.902 330 A HA -0.267 4.054 4.320 0.001 0.000 0.217 330 A C 2.280 179.882 177.584 0.030 0.000 1.181 330 A CA 1.732 53.777 52.037 0.013 0.000 0.623 330 A CB -0.516 18.493 19.000 0.016 0.000 0.818 330 A HN 0.475 nan 8.150 nan 0.000 0.443 331 Q N -0.677 119.121 119.800 -0.003 0.000 2.079 331 Q HA -0.091 4.249 4.340 0.001 0.000 0.200 331 Q C 2.171 178.194 176.000 0.039 0.000 0.974 331 Q CA 1.355 57.165 55.803 0.012 0.000 0.840 331 Q CB -0.281 28.452 28.738 -0.009 0.000 0.898 331 Q HN 0.605 nan 8.270 nan 0.000 0.430 332 A N -0.475 122.372 122.820 0.044 0.000 2.015 332 A HA -0.102 4.218 4.320 0.001 0.000 0.219 332 A C 2.076 179.752 177.584 0.153 0.000 1.163 332 A CA 1.682 53.769 52.037 0.084 0.000 0.646 332 A CB -0.550 18.499 19.000 0.082 0.000 0.806 332 A HN 0.386 nan 8.150 nan 0.000 0.448 333 T N -1.071 113.586 114.554 0.171 0.000 3.081 333 T HA 0.311 4.661 4.350 0.001 0.000 0.255 333 T C 1.830 176.637 174.700 0.179 0.000 1.113 333 T CA 0.913 63.157 62.100 0.240 0.000 1.082 333 T CB -0.215 68.797 68.868 0.241 0.000 0.939 333 T HN 0.495 nan 8.240 nan 0.000 0.506 334 A N 1.026 123.918 122.820 0.120 0.000 1.970 334 A HA -0.020 4.301 4.320 0.001 0.000 0.216 334 A C 2.300 179.938 177.584 0.090 0.000 1.170 334 A CA 0.713 52.803 52.037 0.090 0.000 0.645 334 A CB -0.195 18.840 19.000 0.059 0.000 0.816 334 A HN 0.495 nan 8.150 nan 0.000 0.447 335 Q N -0.022 119.833 119.800 0.091 0.000 2.123 335 Q HA -0.148 4.193 4.340 0.001 0.000 0.199 335 Q C 1.353 177.408 176.000 0.093 0.000 0.966 335 Q CA 1.348 57.197 55.803 0.076 0.000 0.845 335 Q CB -0.410 28.365 28.738 0.062 0.000 0.907 335 Q HN 0.643 nan 8.270 nan 0.000 0.439 336 D N 0.718 121.204 120.400 0.144 0.000 2.087 336 D HA -0.075 4.565 4.640 0.001 0.000 0.203 336 D C 0.900 177.298 176.300 0.164 0.000 0.976 336 D CA 2.177 56.274 54.000 0.163 0.000 0.865 336 D CB -0.119 40.864 40.800 0.304 0.000 1.005 336 D HN 0.206 nan 8.370 nan 0.000 0.449 337 A N -1.325 121.679 122.820 0.306 0.000 2.945 337 A HA -0.130 4.190 4.320 0.001 0.000 0.263 337 A C 0.716 178.427 177.584 0.212 0.000 1.293 337 A CA 1.533 53.736 52.037 0.278 0.000 0.944 337 A CB -2.214 16.876 19.000 0.149 0.000 1.093 337 A HN 0.781 nan 8.150 nan 0.000 0.786 338 A N -0.997 121.875 122.820 0.086 0.000 2.801 338 A HA 0.564 4.884 4.320 0.001 0.000 0.344 338 A C -0.591 176.880 177.584 -0.190 0.000 1.322 338 A CA -0.193 51.822 52.037 -0.038 0.000 0.913 338 A CB -0.147 18.789 19.000 -0.105 0.000 1.140 338 A HN 0.879 nan 8.150 nan 0.000 0.487 339 W N 1.665 122.970 121.300 0.009 0.000 2.632 339 W HA 0.576 5.236 4.660 0.001 0.000 0.328 339 W C -2.146 174.377 176.519 0.006 0.000 1.044 339 W CA -1.836 55.514 57.345 0.007 0.000 1.225 339 W CB 0.922 30.382 29.460 0.000 0.000 1.396 339 W HN 0.431 nan 8.180 nan 0.000 0.499 340 P HA -0.011 nan 4.420 nan 0.000 0.269 340 P C 0.507 177.894 177.300 0.145 0.000 1.215 340 P CA 0.028 63.207 63.100 0.131 0.000 0.780 340 P CB 0.981 32.743 31.700 0.103 0.000 0.898 341 D N 1.644 122.105 120.400 0.100 0.000 2.120 341 D HA -0.248 4.393 4.640 0.001 0.000 0.191 341 D C 0.586 176.946 176.300 0.100 0.000 0.994 341 D CA 1.508 55.561 54.000 0.088 0.000 0.838 341 D CB 0.102 40.942 40.800 0.067 0.000 0.976 341 D HN 0.238 nan 8.370 nan 0.000 0.447 342 R N -1.907 118.665 120.500 0.120 0.000 3.892 342 R HA -0.126 4.215 4.340 0.001 0.000 0.441 342 R C 1.460 177.853 176.300 0.155 0.000 1.052 342 R CA 0.848 57.052 56.100 0.173 0.000 1.190 342 R CB -2.498 27.913 30.300 0.185 0.000 1.808 342 R HN 0.435 nan 8.270 nan 0.000 0.538 343 G N 1.096 109.956 108.800 0.100 0.000 2.446 343 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 343 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 343 G C 1.077 176.023 174.900 0.077 0.000 1.168 343 G CA 1.206 46.346 45.100 0.066 0.000 0.771 343 G HN 0.304 nan 8.290 nan 0.000 0.551 344 D N -0.549 119.916 120.400 0.108 0.000 2.117 344 D HA -0.118 4.522 4.640 0.001 0.000 0.197 344 D C 1.884 178.300 176.300 0.193 0.000 0.987 344 D CA 0.649 54.723 54.000 0.123 0.000 0.829 344 D CB -0.453 40.420 40.800 0.122 0.000 0.961 344 D HN 0.596 nan 8.370 nan 0.000 0.460 345 W N 1.044 122.364 121.300 0.034 0.000 2.381 345 W HA -0.218 4.443 4.660 0.001 0.000 0.301 345 W C 1.840 178.399 176.519 0.066 0.000 1.205 345 W CA 0.639 58.018 57.345 0.057 0.000 1.285 345 W CB -0.256 29.245 29.460 0.068 0.000 1.133 345 W HN -0.011 nan 8.180 nan 0.000 0.521 346 C N 0.889 120.137 119.300 -0.086 0.000 2.425 346 C HA -0.120 4.340 4.460 0.001 0.000 0.277 346 C C 3.177 178.061 174.990 -0.177 0.000 1.280 346 C CA 1.659 60.546 59.018 -0.217 0.000 1.744 346 C CB -1.572 26.105 27.740 -0.106 0.000 1.989 346 C HN 0.496 nan 8.230 nan 0.000 0.491 347 A N 0.508 123.278 122.820 -0.084 0.000 1.933 347 A HA -0.218 4.103 4.320 0.001 0.000 0.218 347 A C 2.071 179.601 177.584 -0.090 0.000 1.175 347 A CA 2.232 54.228 52.037 -0.068 0.000 0.628 347 A CB -0.470 18.517 19.000 -0.022 0.000 0.814 347 A HN 0.556 nan 8.150 nan 0.000 0.444 348 K N -0.171 120.174 120.400 -0.091 0.000 2.026 348 K HA -0.065 4.255 4.320 0.001 0.000 0.208 348 K C 1.707 178.170 176.600 -0.229 0.000 1.048 348 K CA 1.764 57.983 56.287 -0.113 0.000 0.929 348 K CB -0.636 31.876 32.500 0.019 0.000 0.713 348 K HN 0.170 nan 8.250 nan 0.000 0.439 349 V N 0.446 120.162 119.914 -0.329 0.000 2.287 349 V HA -0.289 3.831 4.120 0.001 0.000 0.248 349 V C 2.185 178.227 176.094 -0.087 0.000 1.053 349 V CA 2.391 64.587 62.300 -0.173 0.000 1.027 349 V CB -0.775 30.883 31.823 -0.274 0.000 0.646 349 V HN 0.483 nan 8.190 nan 0.000 0.447 350 T N -0.363 114.111 114.554 -0.133 0.000 2.684 350 T HA -0.214 4.136 4.350 0.001 0.000 0.267 350 T C 1.650 176.307 174.700 -0.072 0.000 1.036 350 T CA 1.903 63.943 62.100 -0.101 0.000 1.148 350 T CB -0.408 68.396 68.868 -0.107 0.000 0.863 350 T HN 0.508 nan 8.240 nan 0.000 0.436 351 D N 0.788 121.140 120.400 -0.081 0.000 2.144 351 D HA 0.003 4.643 4.640 0.001 0.000 0.199 351 D C 2.117 178.380 176.300 -0.061 0.000 0.984 351 D CA 0.657 54.618 54.000 -0.064 0.000 0.834 351 D CB -0.372 40.390 40.800 -0.065 0.000 0.955 351 D HN 0.328 nan 8.370 nan 0.000 0.465 352 L N 0.491 121.652 121.223 -0.105 0.000 2.056 352 L HA -0.107 4.233 4.340 0.001 0.000 0.207 352 L C 2.475 179.354 176.870 0.016 0.000 1.078 352 L CA 1.061 55.834 54.840 -0.112 0.000 0.749 352 L CB -0.341 41.506 42.059 -0.353 0.000 0.901 352 L HN -0.020 nan 8.230 nan 0.000 0.433 353 A N -0.420 122.436 122.820 0.060 0.000 1.902 353 A HA -0.276 4.044 4.320 0.001 0.000 0.217 353 A C 2.196 179.839 177.584 0.097 0.000 1.181 353 A CA 1.851 53.953 52.037 0.108 0.000 0.623 353 A CB -0.503 18.547 19.000 0.084 0.000 0.818 353 A HN 0.410 nan 8.150 nan 0.000 0.443 354 Q N 0.082 119.909 119.800 0.046 0.000 2.167 354 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 354 Q C 1.808 177.869 176.000 0.102 0.000 0.970 354 Q CA 2.119 57.953 55.803 0.051 0.000 0.855 354 Q CB -0.368 28.366 28.738 -0.007 0.000 0.911 354 Q HN 0.742 nan 8.270 nan 0.000 0.438 355 E N -0.344 119.896 120.200 0.066 0.000 2.077 355 E HA -0.207 4.143 4.350 0.001 0.000 0.193 355 E C 2.021 178.671 176.600 0.082 0.000 0.989 355 E CA 0.812 57.248 56.400 0.059 0.000 0.800 355 E CB -0.074 29.639 29.700 0.022 0.000 0.746 355 E HN 0.292 nan 8.360 nan 0.000 0.452 356 R N -0.353 120.209 120.500 0.102 0.000 2.080 356 R HA -0.215 4.125 4.340 0.001 0.000 0.236 356 R C 2.308 178.670 176.300 0.105 0.000 1.137 356 R CA 1.814 57.974 56.100 0.099 0.000 0.943 356 R CB -0.565 29.809 30.300 0.125 0.000 0.846 356 R HN 0.290 nan 8.270 nan 0.000 0.431 357 Y N 0.583 120.914 120.300 0.052 0.000 2.081 357 Y HA -0.309 4.241 4.550 0.001 0.000 0.280 357 Y C 2.200 178.133 175.900 0.055 0.000 1.163 357 Y CA 2.261 60.414 58.100 0.088 0.000 1.135 357 Y CB -0.383 38.153 38.460 0.125 0.000 0.970 357 Y HN 0.250 nan 8.280 nan 0.000 0.498 358 A N -1.289 121.685 122.820 0.257 0.000 1.969 358 A HA -0.176 4.144 4.320 0.001 0.000 0.218 358 A C 2.423 180.019 177.584 0.019 0.000 1.169 358 A CA 1.739 53.869 52.037 0.155 0.000 0.635 358 A CB -1.230 17.857 19.000 0.145 0.000 0.810 358 A HN 0.536 nan 8.150 nan 0.000 0.445 359 S N -0.150 115.547 115.700 -0.005 0.000 2.368 359 S HA -0.123 4.347 4.470 0.001 0.000 0.224 359 S C 1.927 176.450 174.600 -0.128 0.000 1.029 359 S CA 1.418 59.592 58.200 -0.044 0.000 0.988 359 S CB -0.437 62.752 63.200 -0.019 0.000 0.838 359 S HN 0.380 nan 8.310 nan 0.000 0.462 360 I N 2.431 122.860 120.570 -0.236 0.000 2.179 360 I HA -0.098 4.072 4.170 0.001 0.000 0.242 360 I C 2.953 178.731 176.117 -0.565 0.000 1.088 360 I CA 1.447 62.474 61.300 -0.457 0.000 1.357 360 I CB -2.088 35.434 38.000 -0.797 0.000 1.051 360 I HN 0.414 nan 8.210 nan 0.000 0.409 361 A N 0.969 123.515 122.820 -0.457 0.000 1.933 361 A HA -0.041 4.279 4.320 0.001 0.000 0.218 361 A C 2.453 179.986 177.584 -0.084 0.000 1.175 361 A CA 1.772 53.700 52.037 -0.182 0.000 0.628 361 A CB -0.698 18.327 19.000 0.041 0.000 0.814 361 A HN 0.427 nan 8.150 nan 0.000 0.444 362 A N -1.102 121.673 122.820 -0.075 0.000 2.168 362 A HA 0.030 4.351 4.320 0.001 0.000 0.215 362 A C 1.891 179.443 177.584 -0.053 0.000 1.152 362 A CA 1.314 53.331 52.037 -0.034 0.000 0.716 362 A CB -0.199 18.792 19.000 -0.015 0.000 0.794 362 A HN 0.499 nan 8.150 nan 0.000 0.465 363 K N -0.270 120.063 120.400 -0.110 0.000 2.355 363 K HA 0.170 4.490 4.320 0.001 0.000 0.198 363 K C -0.307 176.202 176.600 -0.150 0.000 1.039 363 K CA 0.033 56.263 56.287 -0.094 0.000 1.075 363 K CB 0.573 33.028 32.500 -0.075 0.000 0.870 363 K HN 0.292 nan 8.250 nan 0.000 0.540 364 S N 0.992 116.509 115.700 -0.305 0.000 2.452 364 S HA 0.222 4.693 4.470 0.001 0.000 0.284 364 S C -0.441 174.009 174.600 -0.250 0.000 1.171 364 S CA -0.486 57.317 58.200 -0.661 0.000 1.064 364 S CB 1.613 64.094 63.200 -1.199 0.000 0.967 364 S HN 0.057 nan 8.310 nan 0.000 0.484 365 S N 1.924 117.587 115.700 -0.062 0.000 2.513 365 S HA 0.529 5.000 4.470 0.001 0.000 0.299 365 S C 0.248 174.986 174.600 0.230 0.000 1.087 365 S CA -0.629 57.656 58.200 0.141 0.000 1.012 365 S CB 1.558 64.821 63.200 0.106 0.000 1.044 365 S HN 0.467 nan 8.310 nan 0.000 0.485 366 S N 2.173 118.014 115.700 0.235 0.000 2.650 366 S HA 0.215 4.685 4.470 0.001 0.000 0.240 366 S C 0.095 174.760 174.600 0.108 0.000 1.007 366 S CA -0.412 57.908 58.200 0.200 0.000 0.984 366 S CB -0.013 63.319 63.200 0.221 0.000 0.910 366 S HN 0.821 nan 8.310 nan 0.000 0.509 367 E N 1.081 121.347 120.200 0.109 0.000 2.415 367 E HA -0.004 4.346 4.350 0.001 0.000 0.260 367 E C 0.061 176.774 176.600 0.188 0.000 1.016 367 E CA 0.364 56.831 56.400 0.112 0.000 0.924 367 E CB 0.080 29.865 29.700 0.141 0.000 0.961 367 E HN 0.448 nan 8.360 nan 0.000 0.459 368 H N 0.586 119.672 119.070 0.028 0.000 3.641 368 H HA -0.250 4.306 4.556 0.001 0.000 0.193 368 H C -0.870 174.471 175.328 0.021 0.000 1.013 368 H CA 1.340 57.402 56.048 0.023 0.000 1.212 368 H CB -1.189 28.586 29.762 0.022 0.000 1.089 368 H HN 0.617 nan 8.280 nan 0.000 0.339 369 A N -0.279 122.600 122.820 0.098 0.000 2.580 369 A HA 0.487 4.807 4.320 0.001 0.000 0.301 369 A C -1.319 176.295 177.584 0.050 0.000 1.054 369 A CA -0.567 51.503 52.037 0.055 0.000 0.751 369 A CB 0.737 19.768 19.000 0.051 0.000 1.275 369 A HN 0.264 nan 8.150 nan 0.000 0.403 370 L N 2.485 123.719 121.223 0.018 0.000 2.433 370 L HA 0.349 4.690 4.340 0.001 0.000 0.275 370 L C 0.404 177.283 176.870 0.014 0.000 1.128 370 L CA 0.565 55.426 54.840 0.035 0.000 0.875 370 L CB -0.284 41.768 42.059 -0.013 0.000 1.171 370 L HN 0.775 nan 8.230 nan 0.000 0.463 371 H N 6.944 126.002 119.070 -0.020 0.000 2.803 371 H HA 0.187 4.744 4.556 0.001 0.000 0.330 371 H C -1.706 173.450 175.328 -0.287 0.000 1.057 371 H CA -0.978 54.959 56.048 -0.186 0.000 1.458 371 H CB 1.121 30.720 29.762 -0.273 0.000 1.470 371 H HN 0.551 nan 8.280 nan 0.000 0.560 372 P HA -0.227 nan 4.420 nan 0.000 0.216 372 P C 1.112 178.232 177.300 -0.301 0.000 1.150 372 P CA 1.263 64.060 63.100 -0.505 0.000 0.843 372 P CB -0.027 31.038 31.700 -1.059 0.000 0.787 373 F N -0.496 119.189 119.950 -0.441 0.000 2.102 373 F HA -0.236 4.292 4.527 0.001 0.000 0.298 373 F C 2.432 178.161 175.800 -0.119 0.000 1.105 373 F CA 1.529 59.373 58.000 -0.259 0.000 1.239 373 F CB -0.389 38.367 39.000 -0.408 0.000 0.991 373 F HN -0.022 nan 8.300 nan 0.000 0.474 374 H N 0.027 119.056 119.070 -0.067 0.000 2.387 374 H HA -0.081 4.475 4.556 0.001 0.000 0.299 374 H C 2.339 177.625 175.328 -0.069 0.000 1.099 374 H CA 1.171 57.151 56.048 -0.113 0.000 1.315 374 H CB -1.022 28.730 29.762 -0.017 0.000 1.380 374 H HN 0.414 nan 8.280 nan 0.000 0.513 375 A N 0.349 123.227 122.820 0.096 0.000 1.930 375 A HA -0.122 4.199 4.320 0.001 0.000 0.217 375 A C 2.677 180.365 177.584 0.173 0.000 1.175 375 A CA 1.544 53.679 52.037 0.163 0.000 0.627 375 A CB -0.443 18.571 19.000 0.025 0.000 0.815 375 A HN 0.345 nan 8.150 nan 0.000 0.443 376 S N -0.209 115.511 115.700 0.032 0.000 2.368 376 S HA -0.205 4.266 4.470 0.001 0.000 0.225 376 S C 2.062 176.635 174.600 -0.044 0.000 1.030 376 S CA 1.480 59.693 58.200 0.020 0.000 0.999 376 S CB -0.338 62.868 63.200 0.010 0.000 0.844 376 S HN 0.695 nan 8.310 nan 0.000 0.459 377 Q N 0.397 120.095 119.800 -0.169 0.000 2.135 377 Q HA -0.099 4.241 4.340 0.001 0.000 0.204 377 Q C 2.241 178.201 176.000 -0.066 0.000 0.981 377 Q CA 1.344 57.057 55.803 -0.151 0.000 0.856 377 Q CB -0.369 28.245 28.738 -0.206 0.000 0.902 377 Q HN 0.372 nan 8.270 nan 0.000 0.425 378 V N 0.858 120.750 119.914 -0.037 0.000 2.343 378 V HA -0.263 3.858 4.120 0.001 0.000 0.247 378 V C 2.073 178.118 176.094 -0.082 0.000 1.051 378 V CA 1.560 63.802 62.300 -0.097 0.000 1.036 378 V CB -0.421 31.292 31.823 -0.183 0.000 0.654 378 V HN 0.350 nan 8.190 nan 0.000 0.451 379 I N 0.482 121.042 120.570 -0.016 0.000 2.202 379 I HA -0.207 3.964 4.170 0.001 0.000 0.242 379 I C 2.697 178.843 176.117 0.049 0.000 1.091 379 I CA 1.395 62.714 61.300 0.030 0.000 1.368 379 I CB -0.660 37.392 38.000 0.087 0.000 1.058 379 I HN 0.272 nan 8.210 nan 0.000 0.410 380 A N 1.925 124.753 122.820 0.014 0.000 1.948 380 A HA -0.260 4.061 4.320 0.001 0.000 0.220 380 A C 2.204 179.765 177.584 -0.039 0.000 1.177 380 A CA 2.141 54.175 52.037 -0.005 0.000 0.636 380 A CB -0.711 18.284 19.000 -0.008 0.000 0.815 380 A HN 0.595 nan 8.150 nan 0.000 0.449 381 K N -1.478 118.870 120.400 -0.087 0.000 2.504 381 K HA -0.075 4.245 4.320 0.001 0.000 0.195 381 K C 0.883 177.299 176.600 -0.307 0.000 1.036 381 K CA 1.262 57.432 56.287 -0.195 0.000 0.984 381 K CB -0.271 32.084 32.500 -0.241 0.000 0.788 381 K HN 0.645 nan 8.250 nan 0.000 0.488 382 H N 0.410 119.431 119.070 -0.083 0.000 2.652 382 H HA 0.177 4.734 4.556 0.001 0.000 0.274 382 H C -0.211 175.085 175.328 -0.053 0.000 1.021 382 H CA -0.161 55.842 56.048 -0.075 0.000 1.187 382 H CB 0.807 30.514 29.762 -0.093 0.000 1.505 382 H HN -0.070 nan 8.280 nan 0.000 0.530 383 V N 4.120 124.058 119.914 0.040 0.000 2.432 383 V HA 0.131 4.251 4.120 0.001 0.000 0.271 383 V C 0.153 176.243 176.094 -0.007 0.000 1.046 383 V CA -0.109 62.204 62.300 0.021 0.000 0.945 383 V CB 1.114 32.944 31.823 0.012 0.000 0.992 383 V HN 0.483 nan 8.190 nan 0.000 0.471 384 D N 4.176 124.575 120.400 -0.001 0.000 3.103 384 D HA 0.403 5.043 4.640 0.001 0.000 0.337 384 D C 0.863 177.159 176.300 -0.006 0.000 1.356 384 D CA 0.026 54.018 54.000 -0.013 0.000 0.951 384 D CB 1.080 41.868 40.800 -0.020 0.000 1.438 384 D HN 0.372 nan 8.370 nan 0.000 0.562 385 A N -0.554 122.260 122.820 -0.011 0.000 2.024 385 A HA 0.200 4.521 4.320 0.001 0.000 0.220 385 A C 1.801 179.383 177.584 -0.003 0.000 1.164 385 A CA 1.894 53.927 52.037 -0.008 0.000 0.643 385 A CB -1.316 17.677 19.000 -0.012 0.000 0.806 385 A HN 0.669 nan 8.150 nan 0.000 0.451 386 G N -1.110 107.689 108.800 -0.001 0.000 3.314 386 G HA2 0.423 4.383 3.960 0.001 0.000 0.238 386 G HA3 0.423 4.383 3.960 0.001 0.000 0.238 386 G C -0.201 174.702 174.900 0.006 0.000 1.184 386 G CA 0.267 45.368 45.100 0.002 0.000 0.806 386 G HN 0.232 nan 8.290 nan 0.000 0.536 387 V N 0.141 120.061 119.914 0.009 0.000 2.638 387 V HA 0.439 4.559 4.120 0.001 0.000 0.306 387 V C -0.425 175.681 176.094 0.019 0.000 1.052 387 V CA -0.665 61.643 62.300 0.013 0.000 0.885 387 V CB 2.167 34.002 31.823 0.021 0.000 0.999 387 V HN 0.068 nan 8.190 nan 0.000 0.424 388 T N 3.948 118.509 114.554 0.012 0.000 2.767 388 T HA 0.570 4.920 4.350 0.001 0.000 0.284 388 T C -0.340 174.371 174.700 0.019 0.000 0.973 388 T CA -0.323 61.785 62.100 0.015 0.000 0.996 388 T CB 1.484 70.344 68.868 -0.013 0.000 0.927 388 T HN 0.357 nan 8.240 nan 0.000 0.456 389 V N 4.471 124.423 119.914 0.063 0.000 2.398 389 V HA 0.460 4.581 4.120 0.001 0.000 0.286 389 V C -0.105 175.965 176.094 -0.039 0.000 1.026 389 V CA -0.672 61.673 62.300 0.075 0.000 0.868 389 V CB 1.642 33.602 31.823 0.227 0.000 0.982 389 V HN 0.691 nan 8.190 nan 0.000 0.443 390 V N 3.869 123.715 119.914 -0.114 0.000 2.459 390 V HA 0.856 4.976 4.120 0.001 0.000 0.295 390 V C 0.230 176.172 176.094 -0.253 0.000 1.029 390 V CA -0.538 61.616 62.300 -0.243 0.000 0.874 390 V CB 1.705 33.399 31.823 -0.216 0.000 0.985 390 V HN 0.973 nan 8.190 nan 0.000 0.438 391 A N 3.062 125.642 122.820 -0.399 0.000 2.343 391 A HA 0.805 5.126 4.320 0.001 0.000 0.316 391 A C -0.927 176.371 177.584 -0.477 0.000 1.104 391 A CA -0.408 51.429 52.037 -0.333 0.000 0.768 391 A CB 1.430 20.258 19.000 -0.286 0.000 1.213 391 A HN 0.758 nan 8.150 nan 0.000 0.456 392 D N 0.687 120.915 120.400 -0.287 0.000 2.566 392 D HA 0.610 5.251 4.640 0.001 0.000 0.254 392 D C 0.679 177.032 176.300 0.088 0.000 1.090 392 D CA 0.764 54.602 54.000 -0.269 0.000 1.034 392 D CB 1.892 42.593 40.800 -0.165 0.000 1.434 392 D HN 1.470 nan 8.370 nan 0.000 0.509 393 G N 0.414 109.394 108.800 0.300 0.000 2.171 393 G HA2 0.176 4.136 3.960 0.001 0.000 0.238 393 G HA3 0.176 4.136 3.960 0.001 0.000 0.238 393 G C 0.890 175.979 174.900 0.314 0.000 1.039 393 G CA 0.939 46.215 45.100 0.294 0.000 0.759 393 G HN 1.490 nan 8.290 nan 0.000 0.501 394 A N -1.243 121.861 122.820 0.474 0.000 5.122 394 A HA -0.353 3.968 4.320 0.001 0.000 0.315 394 A C 1.992 179.458 177.584 -0.197 0.000 1.926 394 A CA 2.429 54.543 52.037 0.127 0.000 0.712 394 A CB -1.579 17.487 19.000 0.111 0.000 1.325 394 A HN 1.333 nan 8.150 nan 0.000 0.371 395 L N -0.412 120.756 121.223 -0.091 0.000 2.089 395 L HA -0.239 4.102 4.340 0.001 0.000 0.213 395 L C 2.806 179.700 176.870 0.040 0.000 1.079 395 L CA 2.472 57.262 54.840 -0.083 0.000 0.758 395 L CB -0.984 41.066 42.059 -0.014 0.000 0.891 395 L HN 0.880 nan 8.230 nan 0.000 0.433 396 T N -0.586 114.023 114.554 0.092 0.000 2.635 396 T HA -0.269 4.081 4.350 0.001 0.000 0.267 396 T C 1.636 176.444 174.700 0.179 0.000 1.040 396 T CA 2.237 64.430 62.100 0.156 0.000 1.156 396 T CB -0.476 68.467 68.868 0.125 0.000 0.863 396 T HN 0.589 nan 8.240 nan 0.000 0.430 397 Y N 0.949 121.306 120.300 0.095 0.000 2.395 397 Y HA 0.277 4.827 4.550 0.001 0.000 0.293 397 Y C 1.895 177.853 175.900 0.096 0.000 1.123 397 Y CA 0.276 58.415 58.100 0.065 0.000 1.227 397 Y CB -0.865 37.569 38.460 -0.043 0.000 1.012 397 Y HN 0.113 nan 8.280 nan 0.000 0.552 398 L N -1.127 119.846 121.223 -0.416 0.000 2.056 398 L HA -0.141 4.200 4.340 0.001 0.000 0.207 398 L C 2.182 178.990 176.870 -0.103 0.000 1.078 398 L CA 1.559 56.210 54.840 -0.314 0.000 0.749 398 L CB -0.644 41.125 42.059 -0.484 0.000 0.901 398 L HN 0.320 nan 8.230 nan 0.000 0.433 399 W N -0.314 120.994 121.300 0.014 0.000 2.379 399 W HA -0.196 4.464 4.660 0.001 0.000 0.307 399 W C 2.399 179.010 176.519 0.154 0.000 1.200 399 W CA 0.244 57.654 57.345 0.108 0.000 1.297 399 W CB -0.295 29.229 29.460 0.107 0.000 1.140 399 W HN 0.043 nan 8.180 nan 0.000 0.507 400 L N 1.070 122.509 121.223 0.360 0.000 2.079 400 L HA -0.247 4.094 4.340 0.001 0.000 0.210 400 L C 2.625 179.637 176.870 0.237 0.000 1.081 400 L CA 2.460 57.463 54.840 0.272 0.000 0.752 400 L CB -1.053 41.155 42.059 0.249 0.000 0.896 400 L HN 0.011 nan 8.230 nan 0.000 0.433 401 S N -1.566 114.285 115.700 0.253 0.000 2.419 401 S HA -0.157 4.313 4.470 0.001 0.000 0.233 401 S C 1.705 176.428 174.600 0.205 0.000 1.016 401 S CA 0.977 59.313 58.200 0.226 0.000 0.974 401 S CB -0.628 62.773 63.200 0.335 0.000 0.786 401 S HN 0.559 nan 8.310 nan 0.000 0.492 402 E N 1.283 121.640 120.200 0.262 0.000 2.338 402 E HA -0.035 4.316 4.350 0.001 0.000 0.197 402 E C 2.091 178.918 176.600 0.378 0.000 1.007 402 E CA 1.247 57.837 56.400 0.317 0.000 0.849 402 E CB -0.226 29.711 29.700 0.395 0.000 0.774 402 E HN 0.781 nan 8.360 nan 0.000 0.506 403 V N -3.251 116.835 119.914 0.286 0.000 3.643 403 V HA 0.117 4.237 4.120 0.001 0.000 0.280 403 V C 1.726 177.880 176.094 0.100 0.000 1.351 403 V CA 0.061 62.509 62.300 0.247 0.000 1.073 403 V CB 0.142 32.046 31.823 0.134 0.000 0.863 403 V HN -0.034 nan 8.190 nan 0.000 0.436 404 M N 0.666 120.284 119.600 0.030 0.000 2.419 404 M HA 0.102 4.583 4.480 0.001 0.000 0.264 404 M C 2.184 178.418 176.300 -0.111 0.000 1.082 404 M CA 1.167 56.393 55.300 -0.123 0.000 1.119 404 M CB -0.949 31.439 32.600 -0.354 0.000 1.398 404 M HN 0.496 nan 8.290 nan 0.000 0.453 405 S N 0.951 116.633 115.700 -0.031 0.000 2.387 405 S HA -0.079 4.391 4.470 0.001 0.000 0.226 405 S C 1.747 176.307 174.600 -0.066 0.000 1.026 405 S CA 0.938 59.114 58.200 -0.040 0.000 0.972 405 S CB -0.168 63.039 63.200 0.012 0.000 0.814 405 S HN 0.550 nan 8.310 nan 0.000 0.477 406 R N 1.445 121.907 120.500 -0.063 0.000 2.297 406 R HA 0.124 4.465 4.340 0.001 0.000 0.197 406 R C 0.650 176.891 176.300 -0.098 0.000 0.943 406 R CA 0.193 56.231 56.100 -0.105 0.000 1.038 406 R CB -0.627 29.570 30.300 -0.172 0.000 0.957 406 R HN 0.388 nan 8.270 nan 0.000 0.484 407 V N -1.303 118.562 119.914 -0.083 0.000 3.193 407 V HA 0.463 4.583 4.120 0.001 0.000 0.320 407 V C -0.446 175.602 176.094 -0.076 0.000 1.112 407 V CA -1.288 60.967 62.300 -0.076 0.000 1.026 407 V CB 1.731 33.516 31.823 -0.062 0.000 1.128 407 V HN 0.044 nan 8.190 nan 0.000 0.452 408 K N 2.090 122.453 120.400 -0.061 0.000 2.679 408 K HA 0.421 4.742 4.320 0.001 0.000 0.188 408 K C -2.854 173.727 176.600 -0.033 0.000 1.055 408 K CA -1.406 54.850 56.287 -0.052 0.000 1.006 408 K CB 1.221 33.691 32.500 -0.049 0.000 1.317 408 K HN 0.568 nan 8.250 nan 0.000 0.584 409 P HA 0.008 nan 4.420 nan 0.000 0.275 409 P C 0.736 178.045 177.300 0.015 0.000 1.228 409 P CA 0.001 63.105 63.100 0.005 0.000 0.786 409 P CB 1.268 32.987 31.700 0.031 0.000 0.927 410 G N 1.719 110.529 108.800 0.017 0.000 2.408 410 G HA2 0.127 4.087 3.960 0.001 0.000 0.217 410 G HA3 0.127 4.087 3.960 0.001 0.000 0.217 410 G C 0.666 175.579 174.900 0.022 0.000 1.150 410 G CA 0.715 45.822 45.100 0.012 0.000 0.776 410 G HN 0.819 nan 8.290 nan 0.000 0.542 411 G N -1.683 107.144 108.800 0.046 0.000 2.718 411 G HA2 0.492 4.452 3.960 0.001 0.000 0.295 411 G HA3 0.492 4.452 3.960 0.001 0.000 0.295 411 G C -2.137 172.855 174.900 0.153 0.000 1.421 411 G CA -0.739 44.399 45.100 0.063 0.000 0.902 411 G HN 0.214 nan 8.290 nan 0.000 0.501 412 F N 1.753 121.682 119.950 -0.034 0.000 2.617 412 F HA 0.653 5.180 4.527 0.001 0.000 0.325 412 F C -1.380 174.384 175.800 -0.059 0.000 1.179 412 F CA -1.166 56.810 58.000 -0.040 0.000 0.965 412 F CB 1.510 40.504 39.000 -0.010 0.000 1.232 412 F HN 0.328 nan 8.300 nan 0.000 0.461 413 L N 7.364 128.200 121.223 -0.645 0.000 2.345 413 L HA 0.529 4.869 4.340 0.001 0.000 0.274 413 L C -0.559 175.845 176.870 -0.775 0.000 0.999 413 L CA -0.568 53.937 54.840 -0.557 0.000 0.849 413 L CB 1.305 43.173 42.059 -0.319 0.000 1.220 413 L HN 0.692 nan 8.230 nan 0.000 0.422 414 C N 1.074 119.907 119.300 -0.779 0.000 2.871 414 C HA 0.512 4.972 4.460 0.001 0.000 0.351 414 C C 0.422 175.069 174.990 -0.572 0.000 1.338 414 C CA -0.482 58.027 59.018 -0.847 0.000 1.686 414 C CB 1.660 28.741 27.740 -1.098 0.000 2.135 414 C HN 0.793 nan 8.230 nan 0.000 0.476 415 H N -0.040 118.685 119.070 -0.576 0.000 2.871 415 H HA 0.386 4.942 4.556 0.001 0.000 0.355 415 H C 0.813 176.043 175.328 -0.164 0.000 1.092 415 H CA 1.184 57.014 56.048 -0.362 0.000 1.420 415 H CB 0.647 30.163 29.762 -0.410 0.000 1.400 415 H HN 0.827 nan 8.280 nan 0.000 0.604 416 G N 0.714 109.543 108.800 0.049 0.000 2.849 416 G HA2 -0.024 3.936 3.960 0.001 0.000 0.174 416 G HA3 -0.024 3.936 3.960 0.001 0.000 0.174 416 G C -0.077 174.913 174.900 0.149 0.000 1.370 416 G CA -0.398 44.718 45.100 0.025 0.000 1.040 416 G HN 0.579 nan 8.290 nan 0.000 0.582 417 Y N -0.246 120.070 120.300 0.027 0.000 2.274 417 Y HA 0.027 4.578 4.550 0.001 0.000 0.290 417 Y C 2.677 178.585 175.900 0.013 0.000 1.145 417 Y CA 0.091 58.205 58.100 0.024 0.000 1.203 417 Y CB -0.626 37.843 38.460 0.014 0.000 0.984 417 Y HN 0.106 nan 8.280 nan 0.000 0.533 418 L N -0.392 120.928 121.223 0.161 0.000 2.083 418 L HA -0.086 4.255 4.340 0.001 0.000 0.209 418 L C 1.362 178.223 176.870 -0.015 0.000 1.083 418 L CA 1.789 56.673 54.840 0.074 0.000 0.752 418 L CB -1.007 41.088 42.059 0.061 0.000 0.899 418 L HN 0.498 nan 8.230 nan 0.000 0.433 419 G N 0.716 109.471 108.800 -0.076 0.000 2.338 419 G HA2 -0.251 3.709 3.960 0.001 0.000 0.296 419 G HA3 -0.251 3.709 3.960 0.001 0.000 0.296 419 G C 0.051 174.708 174.900 -0.404 0.000 1.040 419 G CA 0.619 45.554 45.100 -0.274 0.000 1.004 419 G HN 0.403 nan 8.290 nan 0.000 0.509 420 S N 1.152 116.622 115.700 -0.385 0.000 2.438 420 S HA 0.582 5.053 4.470 0.001 0.000 0.316 420 S C 0.832 175.267 174.600 -0.276 0.000 1.084 420 S CA -0.787 57.240 58.200 -0.288 0.000 1.107 420 S CB 0.577 63.675 63.200 -0.171 0.000 0.981 420 S HN 0.360 nan 8.310 nan 0.000 0.466 421 M N 3.003 122.455 119.600 -0.247 0.000 2.284 421 M HA 0.189 4.670 4.480 0.001 0.000 0.351 421 M C 1.499 177.530 176.300 -0.449 0.000 1.443 421 M CA 0.792 56.020 55.300 -0.119 0.000 1.031 421 M CB -0.855 31.800 32.600 0.091 0.000 1.893 421 M HN 1.037 nan 8.290 nan 0.000 0.456 422 G N 2.011 110.681 108.800 -0.215 0.000 2.316 422 G HA2 -0.238 3.722 3.960 0.001 0.000 0.203 422 G HA3 -0.238 3.722 3.960 0.001 0.000 0.203 422 G C 0.531 175.304 174.900 -0.210 0.000 0.999 422 G CA 0.299 45.238 45.100 -0.268 0.000 0.649 422 G HN 0.766 nan 8.290 nan 0.000 0.489 423 V N 0.623 120.348 119.914 -0.315 0.000 2.867 423 V HA 0.288 4.409 4.120 0.001 0.000 0.260 423 V C 2.437 178.293 176.094 -0.397 0.000 1.099 423 V CA 2.333 64.270 62.300 -0.604 0.000 1.122 423 V CB -0.921 30.438 31.823 -0.773 0.000 0.708 423 V HN 1.045 nan 8.190 nan 0.000 0.490 424 G N -0.584 108.074 108.800 -0.237 0.000 2.418 424 G HA2 -0.243 3.718 3.960 0.001 0.000 0.217 424 G HA3 -0.243 3.718 3.960 0.001 0.000 0.217 424 G C 1.315 176.150 174.900 -0.109 0.000 1.158 424 G CA 1.050 46.022 45.100 -0.213 0.000 0.771 424 G HN 0.508 nan 8.290 nan 0.000 0.545 425 F N 2.330 122.177 119.950 -0.171 0.000 2.075 425 F HA 0.021 4.549 4.527 0.001 0.000 0.297 425 F C 2.707 178.424 175.800 -0.138 0.000 1.113 425 F CA 1.331 59.236 58.000 -0.158 0.000 1.218 425 F CB -0.757 38.147 39.000 -0.159 0.000 0.984 425 F HN 0.135 nan 8.300 nan 0.000 0.472 426 G N -1.288 107.618 108.800 0.176 0.000 2.446 426 G HA2 -0.256 3.705 3.960 0.001 0.000 0.217 426 G HA3 -0.256 3.705 3.960 0.001 0.000 0.217 426 G C 1.676 176.584 174.900 0.013 0.000 1.168 426 G CA 1.457 46.610 45.100 0.089 0.000 0.771 426 G HN 0.377 nan 8.290 nan 0.000 0.551 427 T N 1.758 116.292 114.554 -0.032 0.000 2.665 427 T HA -0.084 4.267 4.350 0.001 0.000 0.268 427 T C 2.786 177.428 174.700 -0.097 0.000 1.035 427 T CA 1.746 63.791 62.100 -0.092 0.000 1.151 427 T CB -0.420 68.355 68.868 -0.156 0.000 0.862 427 T HN 0.393 nan 8.240 nan 0.000 0.438 428 A N 0.822 123.588 122.820 -0.089 0.000 1.930 428 A HA 0.063 4.383 4.320 0.001 0.000 0.217 428 A C 2.293 179.857 177.584 -0.034 0.000 1.175 428 A CA 1.130 53.115 52.037 -0.087 0.000 0.627 428 A CB -0.819 18.097 19.000 -0.139 0.000 0.815 428 A HN 0.480 nan 8.150 nan 0.000 0.443 429 L N -0.465 120.766 121.223 0.013 0.000 2.017 429 L HA -0.101 4.239 4.340 0.001 0.000 0.208 429 L C 2.557 179.448 176.870 0.035 0.000 1.073 429 L CA 1.748 56.621 54.840 0.056 0.000 0.745 429 L CB -0.605 41.513 42.059 0.097 0.000 0.894 429 L HN 0.395 nan 8.230 nan 0.000 0.432 430 G N -1.092 107.658 108.800 -0.083 0.000 2.440 430 G HA2 -0.307 3.653 3.960 0.001 0.000 0.218 430 G HA3 -0.307 3.653 3.960 0.001 0.000 0.218 430 G C 1.625 176.541 174.900 0.028 0.000 1.154 430 G CA 0.745 45.737 45.100 -0.180 0.000 0.767 430 G HN 0.585 nan 8.290 nan 0.000 0.552 431 A N 0.216 123.024 122.820 -0.021 0.000 1.940 431 A HA -0.135 4.185 4.320 0.001 0.000 0.219 431 A C 2.315 179.905 177.584 0.009 0.000 1.176 431 A CA 2.333 54.359 52.037 -0.019 0.000 0.631 431 A CB -0.454 18.513 19.000 -0.055 0.000 0.814 431 A HN 0.433 nan 8.150 nan 0.000 0.446 432 Q N -0.123 119.694 119.800 0.027 0.000 2.119 432 Q HA -0.088 4.252 4.340 0.001 0.000 0.201 432 Q C 1.826 177.862 176.000 0.061 0.000 0.972 432 Q CA 1.949 57.775 55.803 0.038 0.000 0.847 432 Q CB -0.579 28.185 28.738 0.043 0.000 0.903 432 Q HN 0.350 nan 8.270 nan 0.000 0.433 433 V N 0.709 120.689 119.914 0.110 0.000 2.287 433 V HA -0.310 3.811 4.120 0.001 0.000 0.248 433 V C 2.282 178.419 176.094 0.071 0.000 1.053 433 V CA 1.956 64.320 62.300 0.107 0.000 1.027 433 V CB -1.323 30.620 31.823 0.200 0.000 0.646 433 V HN 0.532 nan 8.190 nan 0.000 0.447 434 A N -0.378 122.497 122.820 0.090 0.000 1.930 434 A HA -0.221 4.100 4.320 0.001 0.000 0.217 434 A C 1.984 179.536 177.584 -0.052 0.000 1.175 434 A CA 1.815 53.804 52.037 -0.078 0.000 0.627 434 A CB -0.572 18.253 19.000 -0.291 0.000 0.815 434 A HN 0.537 nan 8.150 nan 0.000 0.443 435 D N -0.335 120.051 120.400 -0.023 0.000 2.218 435 D HA -0.094 4.546 4.640 0.001 0.000 0.204 435 D C 1.706 178.009 176.300 0.004 0.000 0.976 435 D CA 0.632 54.624 54.000 -0.014 0.000 0.853 435 D CB -0.198 40.598 40.800 -0.007 0.000 0.939 435 D HN 0.246 nan 8.370 nan 0.000 0.481 436 L N 1.509 122.744 121.223 0.019 0.000 2.017 436 L HA -0.174 4.166 4.340 0.001 0.000 0.208 436 L C 2.255 179.146 176.870 0.034 0.000 1.073 436 L CA 1.630 56.489 54.840 0.032 0.000 0.745 436 L CB -0.890 41.195 42.059 0.044 0.000 0.894 436 L HN 0.194 nan 8.230 nan 0.000 0.432 437 E N -1.162 119.061 120.200 0.039 0.000 2.268 437 E HA -0.128 4.223 4.350 0.001 0.000 0.195 437 E C 1.716 178.329 176.600 0.022 0.000 0.995 437 E CA 1.063 57.490 56.400 0.044 0.000 0.836 437 E CB -0.312 29.430 29.700 0.070 0.000 0.763 437 E HN 0.437 nan 8.360 nan 0.000 0.491 438 A N 1.157 123.981 122.820 0.006 0.000 2.275 438 A HA 0.399 4.719 4.320 0.001 0.000 0.212 438 A C 1.709 179.295 177.584 0.003 0.000 1.201 438 A CA 0.411 52.447 52.037 -0.001 0.000 0.843 438 A CB -0.173 18.817 19.000 -0.017 0.000 0.873 438 A HN 0.371 nan 8.150 nan 0.000 0.492 439 G N -0.081 108.725 108.800 0.010 0.000 2.198 439 G HA2 -0.243 3.717 3.960 0.001 0.000 0.257 439 G HA3 -0.243 3.717 3.960 0.001 0.000 0.257 439 G C 0.077 174.983 174.900 0.009 0.000 1.042 439 G CA 0.399 45.506 45.100 0.012 0.000 0.791 439 G HN 0.658 nan 8.290 nan 0.000 0.502 440 R N -1.073 119.431 120.500 0.007 0.000 2.832 440 R HA 0.708 5.049 4.340 0.001 0.000 0.271 440 R C -0.139 176.166 176.300 0.008 0.000 0.996 440 R CA -1.150 54.953 56.100 0.005 0.000 0.977 440 R CB 1.177 31.476 30.300 -0.002 0.000 1.168 440 R HN 0.041 nan 8.270 nan 0.000 0.482 441 R N 0.686 121.190 120.500 0.006 0.000 2.474 441 R HA 0.362 4.703 4.340 0.001 0.000 0.295 441 R C -0.690 175.610 176.300 -0.001 0.000 0.980 441 R CA -0.363 55.740 56.100 0.005 0.000 0.934 441 R CB 1.872 32.173 30.300 0.001 0.000 1.101 441 R HN 0.604 nan 8.270 nan 0.000 0.469 442 T N 3.854 118.406 114.554 -0.003 0.000 2.795 442 T HA 0.585 4.935 4.350 0.001 0.000 0.282 442 T C 0.424 175.110 174.700 -0.024 0.000 0.980 442 T CA -0.436 61.654 62.100 -0.015 0.000 1.012 442 T CB 1.055 69.912 68.868 -0.019 0.000 0.936 442 T HN 0.340 nan 8.240 nan 0.000 0.457 443 I N 3.454 124.005 120.570 -0.031 0.000 2.466 443 I HA 0.401 4.571 4.170 0.001 0.000 0.289 443 I C -0.916 175.165 176.117 -0.061 0.000 1.026 443 I CA -1.109 60.168 61.300 -0.038 0.000 1.078 443 I CB 1.896 39.883 38.000 -0.021 0.000 1.249 443 I HN 0.368 nan 8.210 nan 0.000 0.429 444 L N 8.429 129.592 121.223 -0.099 0.000 2.295 444 L HA 0.614 4.955 4.340 0.001 0.000 0.285 444 L C -0.857 175.952 176.870 -0.102 0.000 1.035 444 L CA -0.224 54.530 54.840 -0.143 0.000 0.806 444 L CB 1.594 43.500 42.059 -0.254 0.000 1.214 444 L HN 0.342 nan 8.230 nan 0.000 0.426 445 V N 4.802 124.668 119.914 -0.079 0.000 2.350 445 V HA 0.617 4.738 4.120 0.001 0.000 0.285 445 V C 0.127 176.190 176.094 -0.052 0.000 1.014 445 V CA -0.288 61.993 62.300 -0.033 0.000 0.831 445 V CB 0.963 32.806 31.823 0.033 0.000 1.000 445 V HN 0.933 nan 8.190 nan 0.000 0.433 446 T N 3.143 117.662 114.554 -0.058 0.000 2.887 446 T HA 0.768 5.118 4.350 0.001 0.000 0.292 446 T C 0.158 174.838 174.700 -0.033 0.000 1.087 446 T CA 0.125 62.195 62.100 -0.050 0.000 1.009 446 T CB 1.963 70.775 68.868 -0.092 0.000 1.203 446 T HN 0.864 nan 8.240 nan 0.000 0.518 447 G N 0.417 109.213 108.800 -0.006 0.000 2.477 447 G HA2 0.374 4.334 3.960 0.001 0.000 0.304 447 G HA3 0.374 4.334 3.960 0.001 0.000 0.304 447 G C 0.804 175.629 174.900 -0.124 0.000 1.175 447 G CA -0.194 44.889 45.100 -0.027 0.000 0.907 447 G HN 0.812 nan 8.290 nan 0.000 0.509 448 D N -0.057 120.231 120.400 -0.186 0.000 2.219 448 D HA -0.076 4.564 4.640 0.001 0.000 0.205 448 D C 2.011 178.072 176.300 -0.399 0.000 0.970 448 D CA 1.158 54.937 54.000 -0.368 0.000 0.851 448 D CB -0.540 40.135 40.800 -0.207 0.000 0.943 448 D HN 0.456 nan 8.370 nan 0.000 0.488 449 G N 0.645 109.218 108.800 -0.378 0.000 2.404 449 G HA2 -0.206 3.754 3.960 0.001 0.000 0.214 449 G HA3 -0.206 3.754 3.960 0.001 0.000 0.214 449 G C 1.850 176.658 174.900 -0.154 0.000 1.189 449 G CA 0.911 45.588 45.100 -0.706 0.000 0.789 449 G HN 0.331 nan 8.290 nan 0.000 0.533 450 S N -0.199 115.577 115.700 0.127 0.000 2.399 450 S HA -0.109 4.362 4.470 0.001 0.000 0.231 450 S C 2.307 177.069 174.600 0.270 0.000 1.022 450 S CA 0.967 59.366 58.200 0.331 0.000 0.983 450 S CB -0.267 63.066 63.200 0.221 0.000 0.803 450 S HN 0.159 nan 8.310 nan 0.000 0.480 451 V N 2.071 122.034 119.914 0.082 0.000 2.594 451 V HA -0.111 4.009 4.120 0.001 0.000 0.253 451 V C 2.194 178.401 176.094 0.188 0.000 1.069 451 V CA 1.905 64.275 62.300 0.116 0.000 1.082 451 V CB -1.033 30.776 31.823 -0.024 0.000 0.680 451 V HN 0.561 nan 8.190 nan 0.000 0.469 452 G N -1.927 106.946 108.800 0.121 0.000 2.448 452 G HA2 -0.267 3.694 3.960 0.001 0.000 0.219 452 G HA3 -0.267 3.694 3.960 0.001 0.000 0.219 452 G C 1.316 176.281 174.900 0.110 0.000 1.127 452 G CA 0.879 46.054 45.100 0.126 0.000 0.766 452 G HN 0.588 nan 8.290 nan 0.000 0.552 453 Y N 1.031 121.403 120.300 0.119 0.000 2.256 453 Y HA -0.043 4.508 4.550 0.001 0.000 0.288 453 Y C 2.079 177.974 175.900 -0.007 0.000 1.155 453 Y CA 1.599 59.744 58.100 0.075 0.000 1.203 453 Y CB 0.425 38.928 38.460 0.072 0.000 0.980 453 Y HN 0.155 nan 8.280 nan 0.000 0.530 454 S N -1.203 114.563 115.700 0.109 0.000 3.073 454 S HA 0.146 4.617 4.470 0.001 0.000 0.252 454 S C 1.101 175.483 174.600 -0.363 0.000 0.953 454 S CA -0.352 57.767 58.200 -0.134 0.000 1.105 454 S CB -0.111 62.968 63.200 -0.202 0.000 1.070 454 S HN 0.334 nan 8.310 nan 0.000 0.574 455 I N 2.044 122.563 120.570 -0.085 0.000 2.567 455 I HA -0.122 4.049 4.170 0.001 0.000 0.257 455 I C 2.147 178.207 176.117 -0.094 0.000 1.184 455 I CA 1.200 62.516 61.300 0.026 0.000 1.451 455 I CB -0.058 38.130 38.000 0.313 0.000 1.089 455 I HN 0.496 nan 8.210 nan 0.000 0.441 456 G N -0.063 108.624 108.800 -0.189 0.000 2.498 456 G HA2 -0.201 3.759 3.960 0.001 0.000 0.219 456 G HA3 -0.201 3.759 3.960 0.001 0.000 0.219 456 G C 1.361 175.897 174.900 -0.606 0.000 1.119 456 G CA 0.269 45.142 45.100 -0.379 0.000 0.766 456 G HN 0.354 nan 8.290 nan 0.000 0.552 457 E N 0.315 120.091 120.200 -0.706 0.000 2.409 457 E HA -0.030 4.320 4.350 0.001 0.000 0.198 457 E C 1.831 178.148 176.600 -0.472 0.000 1.024 457 E CA 0.061 56.049 56.400 -0.685 0.000 0.861 457 E CB -0.353 28.772 29.700 -0.958 0.000 0.788 457 E HN 0.623 nan 8.360 nan 0.000 0.521 458 F N 1.292 121.038 119.950 -0.339 0.000 2.161 458 F HA -0.241 4.287 4.527 0.001 0.000 0.300 458 F C 2.258 177.957 175.800 -0.168 0.000 1.089 458 F CA 1.338 59.296 58.000 -0.069 0.000 1.282 458 F CB -0.105 38.953 39.000 0.097 0.000 1.010 458 F HN 0.067 nan 8.300 nan 0.000 0.485 459 D N -0.366 119.828 120.400 -0.344 0.000 2.123 459 D HA -0.167 4.473 4.640 0.001 0.000 0.196 459 D C 2.022 178.297 176.300 -0.042 0.000 0.992 459 D CA 2.014 55.898 54.000 -0.194 0.000 0.833 459 D CB -0.160 40.421 40.800 -0.366 0.000 0.954 459 D HN 0.103 nan 8.370 nan 0.000 0.455 460 T N 0.190 114.695 114.554 -0.081 0.000 2.746 460 T HA -0.121 4.230 4.350 0.001 0.000 0.267 460 T C 1.772 176.502 174.700 0.051 0.000 1.039 460 T CA 0.639 62.733 62.100 -0.010 0.000 1.142 460 T CB -0.290 68.561 68.868 -0.029 0.000 0.866 460 T HN 0.060 nan 8.240 nan 0.000 0.444 461 L N 0.976 122.248 121.223 0.081 0.000 2.043 461 L HA -0.096 4.244 4.340 0.001 0.000 0.212 461 L C 2.593 179.543 176.870 0.134 0.000 1.075 461 L CA 1.377 56.300 54.840 0.138 0.000 0.752 461 L CB -1.168 41.025 42.059 0.223 0.000 0.891 461 L HN 0.161 nan 8.230 nan 0.000 0.432 462 V N -1.101 118.896 119.914 0.138 0.000 2.346 462 V HA -0.197 3.924 4.120 0.001 0.000 0.244 462 V C 2.597 178.748 176.094 0.094 0.000 1.037 462 V CA 1.280 63.655 62.300 0.125 0.000 1.029 462 V CB -0.492 31.418 31.823 0.145 0.000 0.663 462 V HN 0.380 nan 8.190 nan 0.000 0.454 463 R N 0.355 120.904 120.500 0.082 0.000 2.103 463 R HA -0.140 4.200 4.340 0.001 0.000 0.242 463 R C 2.033 178.370 176.300 0.062 0.000 1.142 463 R CA 1.186 57.325 56.100 0.066 0.000 0.960 463 R CB -0.207 30.127 30.300 0.056 0.000 0.858 463 R HN 0.353 nan 8.270 nan 0.000 0.439 464 K N 0.432 120.872 120.400 0.067 0.000 2.404 464 K HA 0.053 4.373 4.320 0.001 0.000 0.194 464 K C 0.070 176.712 176.600 0.069 0.000 1.023 464 K CA 0.177 56.503 56.287 0.065 0.000 1.094 464 K CB 0.420 32.961 32.500 0.068 0.000 0.841 464 K HN 0.230 nan 8.250 nan 0.000 0.523 465 Q N 0.697 120.543 119.800 0.076 0.000 2.460 465 Q HA -0.170 4.171 4.340 0.001 0.000 0.311 465 Q C -0.988 175.060 176.000 0.081 0.000 1.396 465 Q CA 0.280 56.130 55.803 0.077 0.000 0.838 465 Q CB -1.914 26.862 28.738 0.063 0.000 1.140 465 Q HN 0.252 nan 8.270 nan 0.000 0.415 466 L N 1.612 122.891 121.223 0.093 0.000 2.262 466 L HA 0.329 4.669 4.340 0.001 0.000 0.288 466 L C -1.404 175.526 176.870 0.101 0.000 1.035 466 L CA -1.903 52.993 54.840 0.093 0.000 0.820 466 L CB 0.737 42.855 42.059 0.099 0.000 1.204 466 L HN -0.026 nan 8.230 nan 0.000 0.424 467 P HA 0.017 nan 4.420 nan 0.000 0.254 467 P C -0.107 177.242 177.300 0.082 0.000 1.631 467 P CA -0.315 62.840 63.100 0.092 0.000 0.861 467 P CB 0.053 31.800 31.700 0.078 0.000 1.663 468 L N 0.693 121.966 121.223 0.083 0.000 2.453 468 L HA 0.147 4.487 4.340 0.001 0.000 0.272 468 L C -0.016 176.894 176.870 0.066 0.000 1.182 468 L CA 0.135 55.006 54.840 0.052 0.000 0.858 468 L CB -0.053 42.025 42.059 0.032 0.000 1.120 468 L HN -0.044 nan 8.230 nan 0.000 0.474 469 I N 5.813 126.399 120.570 0.028 0.000 2.312 469 I HA 0.262 4.432 4.170 0.001 0.000 0.290 469 I C -0.658 175.459 176.117 -0.001 0.000 1.008 469 I CA -0.621 60.703 61.300 0.040 0.000 1.226 469 I CB 1.415 39.420 38.000 0.008 0.000 1.371 469 I HN 0.275 nan 8.210 nan 0.000 0.468 470 V N 8.052 127.993 119.914 0.045 0.000 2.347 470 V HA 0.399 4.519 4.120 0.001 0.000 0.280 470 V C 0.141 176.261 176.094 0.042 0.000 1.021 470 V CA -0.380 61.899 62.300 -0.036 0.000 0.847 470 V CB 1.264 33.016 31.823 -0.118 0.000 0.990 470 V HN 0.471 nan 8.190 nan 0.000 0.444 471 I N 6.260 126.828 120.570 -0.004 0.000 2.339 471 I HA 0.473 4.644 4.170 0.001 0.000 0.290 471 I C -0.402 175.696 176.117 -0.032 0.000 0.994 471 I CA -0.331 60.979 61.300 0.017 0.000 1.191 471 I CB 1.610 39.649 38.000 0.065 0.000 1.343 471 I HN 0.425 nan 8.210 nan 0.000 0.458 472 I N 6.668 127.215 120.570 -0.039 0.000 2.330 472 I HA 0.276 4.447 4.170 0.001 0.000 0.289 472 I C -0.126 175.929 176.117 -0.104 0.000 1.001 472 I CA -0.517 60.740 61.300 -0.072 0.000 1.193 472 I CB 1.081 39.041 38.000 -0.067 0.000 1.345 472 I HN 0.389 nan 8.210 nan 0.000 0.461 473 M N 5.648 125.190 119.600 -0.096 0.000 2.193 473 M HA 0.151 4.632 4.480 0.001 0.000 0.342 473 M C -0.145 176.110 176.300 -0.074 0.000 1.413 473 M CA 0.101 55.340 55.300 -0.101 0.000 1.191 473 M CB -0.257 32.306 32.600 -0.060 0.000 1.633 473 M HN 0.409 nan 8.290 nan 0.000 0.458 474 N N 3.971 122.634 118.700 -0.062 0.000 2.589 474 N HA 0.133 4.874 4.740 0.001 0.000 0.232 474 N C -0.175 175.336 175.510 0.001 0.000 1.015 474 N CA -0.135 52.912 53.050 -0.005 0.000 0.931 474 N CB 0.375 38.914 38.487 0.086 0.000 1.150 474 N HN 0.447 nan 8.380 nan 0.000 0.512 475 N N 2.325 121.022 118.700 -0.006 0.000 2.321 475 N HA 0.032 4.772 4.740 0.001 0.000 0.242 475 N C -0.435 175.086 175.510 0.017 0.000 1.141 475 N CA -0.160 52.892 53.050 0.004 0.000 0.864 475 N CB 0.181 38.668 38.487 -0.001 0.000 1.100 475 N HN 0.293 nan 8.380 nan 0.000 0.510 476 Q N -0.795 119.019 119.800 0.025 0.000 2.481 476 Q HA -0.203 4.138 4.340 0.001 0.000 0.272 476 Q C -0.881 175.116 176.000 -0.004 0.000 1.157 476 Q CA 1.370 57.187 55.803 0.023 0.000 0.935 476 Q CB -2.772 25.986 28.738 0.034 0.000 1.338 476 Q HN 0.864 nan 8.270 nan 0.000 0.494 477 S N -3.095 112.579 115.700 -0.043 0.000 2.597 477 S HA 0.482 4.953 4.470 0.001 0.000 0.274 477 S C -1.157 173.404 174.600 -0.065 0.000 1.132 477 S CA -1.128 57.048 58.200 -0.040 0.000 0.835 477 S CB 0.392 63.629 63.200 0.061 0.000 1.092 477 S HN 0.277 nan 8.310 nan 0.000 0.457 478 W N 2.222 123.557 121.300 0.058 0.000 2.429 478 W HA 0.472 5.133 4.660 0.001 0.000 0.431 478 W C 1.514 178.050 176.519 0.027 0.000 1.038 478 W CA 0.109 57.484 57.345 0.050 0.000 1.635 478 W CB -0.186 29.307 29.460 0.056 0.000 1.721 478 W HN 1.063 nan 8.180 nan 0.000 0.366 479 G N 1.921 110.815 108.800 0.157 0.000 2.511 479 G HA2 -0.270 3.690 3.960 0.001 0.000 0.216 479 G HA3 -0.270 3.690 3.960 0.001 0.000 0.216 479 G C 1.710 176.563 174.900 -0.080 0.000 1.218 479 G CA 1.222 46.326 45.100 0.007 0.000 0.788 479 G HN 0.541 nan 8.290 nan 0.000 0.560 480 A N 0.630 123.420 122.820 -0.050 0.000 1.908 480 A HA -0.104 4.216 4.320 0.001 0.000 0.218 480 A C 2.646 180.293 177.584 0.105 0.000 1.181 480 A CA 3.132 55.150 52.037 -0.032 0.000 0.627 480 A CB -1.255 17.743 19.000 -0.003 0.000 0.818 480 A HN 0.585 nan 8.150 nan 0.000 0.445 481 T N -1.485 113.141 114.554 0.119 0.000 2.821 481 T HA -0.104 4.246 4.350 0.001 0.000 0.267 481 T C 1.866 176.700 174.700 0.224 0.000 1.046 481 T CA 1.306 63.488 62.100 0.137 0.000 1.139 481 T CB -0.551 68.352 68.868 0.059 0.000 0.871 481 T HN 0.301 nan 8.240 nan 0.000 0.454 482 L N 0.228 121.582 121.223 0.219 0.000 2.046 482 L HA -0.128 4.212 4.340 0.001 0.000 0.208 482 L C 2.838 179.885 176.870 0.295 0.000 1.077 482 L CA 1.654 56.636 54.840 0.236 0.000 0.747 482 L CB -0.439 41.751 42.059 0.219 0.000 0.896 482 L HN 0.401 nan 8.230 nan 0.000 0.432 483 H N -1.691 117.463 119.070 0.140 0.000 2.352 483 H HA -0.263 4.294 4.556 0.001 0.000 0.299 483 H C 2.079 177.478 175.328 0.120 0.000 1.097 483 H CA 1.726 57.840 56.048 0.111 0.000 1.311 483 H CB -0.123 29.697 29.762 0.097 0.000 1.377 483 H HN 0.429 nan 8.280 nan 0.000 0.504 484 F N 2.163 122.207 119.950 0.156 0.000 2.091 484 F HA -0.281 4.247 4.527 0.001 0.000 0.299 484 F C 2.529 178.363 175.800 0.058 0.000 1.103 484 F CA 1.647 59.695 58.000 0.081 0.000 1.228 484 F CB -0.187 38.849 39.000 0.060 0.000 0.984 484 F HN 0.128 nan 8.300 nan 0.000 0.477 485 Q N -0.231 119.714 119.800 0.242 0.000 2.096 485 Q HA -0.273 4.067 4.340 0.001 0.000 0.204 485 Q C 2.211 178.204 176.000 -0.011 0.000 0.982 485 Q CA 2.102 57.971 55.803 0.110 0.000 0.850 485 Q CB -0.442 28.395 28.738 0.164 0.000 0.901 485 Q HN 0.623 nan 8.270 nan 0.000 0.422 486 Q N -0.095 119.714 119.800 0.014 0.000 2.046 486 Q HA -0.136 4.205 4.340 0.001 0.000 0.200 486 Q C 1.980 177.930 176.000 -0.084 0.000 0.975 486 Q CA 0.869 56.657 55.803 -0.025 0.000 0.836 486 Q CB 0.034 28.763 28.738 -0.016 0.000 0.896 486 Q HN 0.222 nan 8.270 nan 0.000 0.428 487 L N -0.289 120.865 121.223 -0.115 0.000 2.131 487 L HA -0.012 4.329 4.340 0.001 0.000 0.206 487 L C 1.976 178.717 176.870 -0.215 0.000 1.087 487 L CA 1.623 56.376 54.840 -0.145 0.000 0.767 487 L CB -0.834 41.153 42.059 -0.120 0.000 0.917 487 L HN 0.149 nan 8.230 nan 0.000 0.441 488 A N -2.383 120.211 122.820 -0.377 0.000 2.197 488 A HA 0.249 4.570 4.320 0.001 0.000 0.210 488 A C 1.857 179.261 177.584 -0.300 0.000 1.180 488 A CA 0.753 52.515 52.037 -0.459 0.000 0.846 488 A CB 0.186 18.588 19.000 -0.997 0.000 0.884 488 A HN 0.157 nan 8.150 nan 0.000 0.487 489 V N -1.808 117.975 119.914 -0.218 0.000 3.058 489 V HA 0.536 4.656 4.120 0.001 0.000 0.233 489 V C 0.975 177.030 176.094 -0.066 0.000 1.255 489 V CA 0.627 62.862 62.300 -0.109 0.000 1.267 489 V CB 0.132 31.921 31.823 -0.056 0.000 1.049 489 V HN 0.832 nan 8.190 nan 0.000 0.486 490 G N 0.356 109.122 108.800 -0.058 0.000 2.368 490 G HA2 0.289 4.250 3.960 0.001 0.000 0.303 490 G HA3 0.289 4.250 3.960 0.001 0.000 0.303 490 G C -2.725 172.163 174.900 -0.020 0.000 1.590 490 G CA 0.150 45.229 45.100 -0.035 0.000 0.938 490 G HN -0.069 nan 8.290 nan 0.000 0.675 491 P HA -0.086 nan 4.420 nan 0.000 0.220 491 P C 0.820 178.124 177.300 0.007 0.000 1.148 491 P CA 1.299 64.394 63.100 -0.008 0.000 0.803 491 P CB -0.072 31.622 31.700 -0.010 0.000 0.782 492 N N -0.938 117.766 118.700 0.008 0.000 2.321 492 N HA 0.130 4.870 4.740 0.001 0.000 0.242 492 N C 0.495 176.018 175.510 0.022 0.000 1.141 492 N CA -0.591 52.468 53.050 0.016 0.000 0.864 492 N CB 0.173 38.667 38.487 0.012 0.000 1.100 492 N HN -0.150 nan 8.380 nan 0.000 0.510 493 R N 1.431 121.946 120.500 0.025 0.000 2.767 493 R HA 0.142 4.482 4.340 0.001 0.000 0.377 493 R C -0.143 176.189 176.300 0.054 0.000 1.151 493 R CA -0.243 55.877 56.100 0.033 0.000 1.046 493 R CB 0.555 30.869 30.300 0.024 0.000 1.404 493 R HN 0.231 nan 8.270 nan 0.000 0.580 494 V N 0.317 120.267 119.914 0.059 0.000 2.383 494 V HA 0.638 4.759 4.120 0.001 0.000 0.275 494 V C -0.630 175.510 176.094 0.076 0.000 1.036 494 V CA 0.137 62.485 62.300 0.080 0.000 0.889 494 V CB 1.353 33.230 31.823 0.090 0.000 0.985 494 V HN 0.387 nan 8.190 nan 0.000 0.459 495 T N 2.648 117.252 114.554 0.085 0.000 2.956 495 T HA 0.676 5.027 4.350 0.001 0.000 0.312 495 T C 0.671 175.424 174.700 0.089 0.000 1.151 495 T CA -0.040 62.107 62.100 0.078 0.000 1.024 495 T CB 1.231 70.135 68.868 0.060 0.000 1.140 495 T HN 1.953 nan 8.240 nan 0.000 0.473 496 G N 1.388 110.247 108.800 0.098 0.000 2.166 496 G HA2 -0.322 3.638 3.960 0.001 0.000 0.260 496 G HA3 -0.322 3.638 3.960 0.001 0.000 0.260 496 G C 0.647 175.661 174.900 0.189 0.000 0.986 496 G CA 1.275 46.443 45.100 0.113 0.000 0.683 496 G HN 1.519 nan 8.290 nan 0.000 0.527 497 T N -3.223 111.464 114.554 0.221 0.000 2.975 497 T HA 0.411 4.762 4.350 0.001 0.000 0.257 497 T C 0.999 175.887 174.700 0.315 0.000 1.003 497 T CA -0.032 62.268 62.100 0.334 0.000 0.932 497 T CB 0.588 69.600 68.868 0.240 0.000 1.087 497 T HN 0.466 nan 8.240 nan 0.000 0.512 498 R N 0.967 121.587 120.500 0.199 0.000 2.459 498 R HA 0.609 4.949 4.340 0.001 0.000 0.281 498 R C -0.618 175.725 176.300 0.071 0.000 1.050 498 R CA -0.384 55.785 56.100 0.115 0.000 1.055 498 R CB 0.941 31.294 30.300 0.087 0.000 1.045 498 R HN 0.265 nan 8.270 nan 0.000 0.495 499 L N 2.788 124.011 121.223 0.000 0.000 2.625 499 L HA 0.234 4.575 4.340 0.001 0.000 0.255 499 L C -0.414 176.447 176.870 -0.015 0.000 1.493 499 L CA 0.049 54.863 54.840 -0.045 0.000 0.796 499 L CB 1.024 42.968 42.059 -0.191 0.000 1.064 499 L HN 0.596 nan 8.230 nan 0.000 0.516 500 E N 1.695 121.896 120.200 0.002 0.000 2.325 500 E HA 0.188 4.538 4.350 0.001 0.000 0.295 500 E C -0.474 176.113 176.600 -0.020 0.000 1.461 500 E CA -0.165 56.235 56.400 0.001 0.000 1.698 500 E CB 0.241 29.949 29.700 0.012 0.000 1.496 500 E HN 0.357 nan 8.360 nan 0.000 0.474 501 N N 0.051 118.723 118.700 -0.047 0.000 2.636 501 N HA 0.444 5.185 4.740 0.001 0.000 0.261 501 N C -1.294 174.106 175.510 -0.184 0.000 1.195 501 N CA 0.173 53.170 53.050 -0.088 0.000 0.902 501 N CB 1.773 40.221 38.487 -0.065 0.000 1.627 501 N HN 0.205 nan 8.380 nan 0.000 0.491 502 G N 0.710 109.369 108.800 -0.235 0.000 3.067 502 G HA2 0.097 4.058 3.960 0.001 0.000 0.686 502 G HA3 0.097 4.058 3.960 0.001 0.000 0.686 502 G C -0.947 173.639 174.900 -0.524 0.000 1.119 502 G CA -0.335 44.528 45.100 -0.394 0.000 0.790 502 G HN 0.851 nan 8.290 nan 0.000 0.605 503 S N 1.760 117.195 115.700 -0.441 0.000 2.464 503 S HA 0.557 5.027 4.470 0.001 0.000 0.313 503 S C 1.307 175.675 174.600 -0.388 0.000 1.078 503 S CA -0.428 57.519 58.200 -0.422 0.000 1.096 503 S CB 0.087 63.016 63.200 -0.452 0.000 1.032 503 S HN 0.582 nan 8.310 nan 0.000 0.498 504 Y N 3.642 123.938 120.300 -0.008 0.000 2.293 504 Y HA -0.115 4.435 4.550 0.001 0.000 0.291 504 Y C 2.615 178.544 175.900 0.048 0.000 1.137 504 Y CA 1.760 59.902 58.100 0.070 0.000 1.202 504 Y CB -0.535 38.019 38.460 0.157 0.000 0.990 504 Y HN 0.855 nan 8.280 nan 0.000 0.537 505 H N -2.296 116.858 119.070 0.140 0.000 2.428 505 H HA 0.059 4.616 4.556 0.001 0.000 0.296 505 H C 2.368 177.675 175.328 -0.035 0.000 1.062 505 H CA 1.172 57.249 56.048 0.050 0.000 1.350 505 H CB -1.050 28.767 29.762 0.091 0.000 1.403 505 H HN 0.329 nan 8.280 nan 0.000 0.533 506 G N 1.346 109.846 108.800 -0.500 0.000 2.442 506 G HA2 -0.197 3.764 3.960 0.001 0.000 0.219 506 G HA3 -0.197 3.764 3.960 0.001 0.000 0.219 506 G C 1.868 176.653 174.900 -0.192 0.000 1.141 506 G CA 1.425 46.324 45.100 -0.335 0.000 0.763 506 G HN 0.371 nan 8.290 nan 0.000 0.554 507 V N 1.502 121.339 119.914 -0.129 0.000 2.295 507 V HA -0.124 3.996 4.120 0.001 0.000 0.246 507 V C 3.327 179.415 176.094 -0.011 0.000 1.049 507 V CA 2.013 64.290 62.300 -0.038 0.000 1.024 507 V CB -0.905 30.995 31.823 0.129 0.000 0.648 507 V HN 0.474 nan 8.190 nan 0.000 0.447 508 A N 0.069 122.807 122.820 -0.138 0.000 1.902 508 A HA -0.142 4.179 4.320 0.001 0.000 0.217 508 A C 2.433 179.925 177.584 -0.153 0.000 1.181 508 A CA 2.161 53.946 52.037 -0.420 0.000 0.623 508 A CB -0.824 17.592 19.000 -0.973 0.000 0.818 508 A HN 0.582 nan 8.150 nan 0.000 0.443 509 A N -0.152 122.593 122.820 -0.125 0.000 1.908 509 A HA 0.134 4.454 4.320 0.001 0.000 0.218 509 A C 2.460 180.002 177.584 -0.071 0.000 1.181 509 A CA 2.082 54.070 52.037 -0.082 0.000 0.627 509 A CB -0.962 17.987 19.000 -0.086 0.000 0.818 509 A HN 1.123 nan 8.150 nan 0.000 0.445 510 A N -1.754 120.990 122.820 -0.127 0.000 2.067 510 A HA 0.075 4.396 4.320 0.001 0.000 0.219 510 A C 1.647 179.108 177.584 -0.205 0.000 1.158 510 A CA 1.186 53.104 52.037 -0.199 0.000 0.661 510 A CB -0.601 18.216 19.000 -0.305 0.000 0.801 510 A HN 0.448 nan 8.150 nan 0.000 0.452 511 F N -0.969 118.981 119.950 -0.001 0.000 2.797 511 F HA 0.329 4.856 4.527 0.001 0.000 0.302 511 F C 1.881 177.708 175.800 0.046 0.000 1.130 511 F CA 0.466 58.494 58.000 0.047 0.000 1.387 511 F CB 0.141 39.214 39.000 0.122 0.000 1.107 511 F HN 0.364 nan 8.300 nan 0.000 0.577 512 G N -0.228 108.667 108.800 0.158 0.000 2.163 512 G HA2 -0.036 3.925 3.960 0.001 0.000 0.213 512 G HA3 -0.036 3.925 3.960 0.001 0.000 0.213 512 G C 0.247 175.201 174.900 0.090 0.000 0.991 512 G CA -0.195 44.967 45.100 0.104 0.000 0.653 512 G HN 0.591 nan 8.290 nan 0.000 0.518 513 A N 0.068 122.939 122.820 0.084 0.000 2.295 513 A HA 0.648 4.969 4.320 0.001 0.000 0.318 513 A C -0.064 177.521 177.584 0.002 0.000 1.134 513 A CA -0.287 51.790 52.037 0.067 0.000 0.827 513 A CB 0.582 19.637 19.000 0.090 0.000 1.136 513 A HN 0.156 nan 8.150 nan 0.000 0.493 514 D N 0.981 121.400 120.400 0.030 0.000 2.417 514 D HA 0.413 5.053 4.640 0.001 0.000 0.250 514 D C 0.381 176.648 176.300 -0.055 0.000 1.166 514 D CA 1.114 55.095 54.000 -0.031 0.000 0.881 514 D CB 1.031 41.855 40.800 0.040 0.000 1.164 514 D HN 0.666 nan 8.370 nan 0.000 0.467 515 G N 1.647 110.351 108.800 -0.161 0.000 2.470 515 G HA2 0.542 4.503 3.960 0.001 0.000 0.320 515 G HA3 0.542 4.503 3.960 0.001 0.000 0.320 515 G C -1.336 173.466 174.900 -0.163 0.000 1.245 515 G CA -0.542 44.529 45.100 -0.047 0.000 0.935 515 G HN 0.321 nan 8.290 nan 0.000 0.476 516 Y N -0.064 120.280 120.300 0.074 0.000 2.536 516 Y HA 0.556 5.106 4.550 0.001 0.000 0.347 516 Y C -0.172 175.661 175.900 -0.112 0.000 1.000 516 Y CA -0.970 57.135 58.100 0.009 0.000 1.051 516 Y CB 2.860 41.335 38.460 0.025 0.000 1.259 516 Y HN 0.689 nan 8.280 nan 0.000 0.468 517 H N 1.700 120.678 119.070 -0.152 0.000 2.689 517 H HA 0.709 5.265 4.556 0.001 0.000 0.346 517 H C -1.442 173.827 175.328 -0.099 0.000 1.037 517 H CA -0.836 55.032 56.048 -0.301 0.000 1.234 517 H CB 1.231 30.602 29.762 -0.652 0.000 1.572 517 H HN 0.557 nan 8.280 nan 0.000 0.524 518 V N 2.135 121.736 119.914 -0.522 0.000 3.102 518 V HA 0.584 4.704 4.120 0.001 0.000 0.312 518 V C -0.626 175.217 176.094 -0.418 0.000 1.135 518 V CA -0.543 61.567 62.300 -0.317 0.000 1.022 518 V CB 2.458 34.217 31.823 -0.107 0.000 1.056 518 V HN 0.936 nan 8.190 nan 0.000 0.436 519 D N -0.332 119.942 120.400 -0.211 0.000 2.640 519 D HA 0.267 4.907 4.640 0.001 0.000 0.282 519 D C 0.039 176.292 176.300 -0.077 0.000 1.558 519 D CA 0.731 54.635 54.000 -0.160 0.000 0.820 519 D CB -0.036 40.697 40.800 -0.112 0.000 1.243 519 D HN 1.173 nan 8.370 nan 0.000 0.456 520 S N -1.820 113.856 115.700 -0.041 0.000 2.656 520 S HA 0.463 4.934 4.470 0.001 0.000 0.273 520 S C 0.769 175.400 174.600 0.052 0.000 1.168 520 S CA -0.250 57.949 58.200 -0.002 0.000 0.817 520 S CB 1.317 64.510 63.200 -0.013 0.000 1.146 520 S HN -0.189 nan 8.310 nan 0.000 0.475 521 V N 1.353 121.290 119.914 0.038 0.000 2.287 521 V HA -0.163 3.957 4.120 0.001 0.000 0.248 521 V C 2.770 178.881 176.094 0.028 0.000 1.053 521 V CA 2.574 64.902 62.300 0.046 0.000 1.027 521 V CB -1.152 30.655 31.823 -0.026 0.000 0.646 521 V HN 1.031 nan 8.190 nan 0.000 0.447 522 E N 0.884 121.085 120.200 0.001 0.000 2.031 522 E HA -0.231 4.120 4.350 0.001 0.000 0.193 522 E C 2.302 178.903 176.600 0.002 0.000 0.994 522 E CA 1.916 58.310 56.400 -0.011 0.000 0.800 522 E CB -0.171 29.519 29.700 -0.017 0.000 0.752 522 E HN 0.741 nan 8.360 nan 0.000 0.447 523 S N 0.207 115.921 115.700 0.023 0.000 2.368 523 S HA -0.156 4.315 4.470 0.001 0.000 0.224 523 S C 1.924 176.569 174.600 0.074 0.000 1.029 523 S CA 0.804 59.023 58.200 0.032 0.000 0.988 523 S CB -0.638 62.574 63.200 0.019 0.000 0.838 523 S HN 0.397 nan 8.310 nan 0.000 0.462 524 F N 2.825 122.720 119.950 -0.091 0.000 2.134 524 F HA 0.005 4.533 4.527 0.001 0.000 0.299 524 F C 2.700 178.436 175.800 -0.107 0.000 1.097 524 F CA 0.895 58.830 58.000 -0.109 0.000 1.264 524 F CB -1.184 37.760 39.000 -0.094 0.000 1.001 524 F HN 0.302 nan 8.300 nan 0.000 0.479 525 S N 0.010 115.610 115.700 -0.168 0.000 2.359 525 S HA -0.178 4.293 4.470 0.001 0.000 0.224 525 S C 2.348 176.837 174.600 -0.185 0.000 1.035 525 S CA 1.426 59.476 58.200 -0.250 0.000 1.018 525 S CB -0.834 62.283 63.200 -0.137 0.000 0.876 525 S HN 0.519 nan 8.310 nan 0.000 0.448 526 A N 1.165 123.919 122.820 -0.111 0.000 1.902 526 A HA 0.191 4.512 4.320 0.001 0.000 0.217 526 A C 2.427 179.922 177.584 -0.148 0.000 1.181 526 A CA 1.863 53.844 52.037 -0.094 0.000 0.623 526 A CB -1.303 17.673 19.000 -0.041 0.000 0.818 526 A HN 0.709 nan 8.150 nan 0.000 0.443 527 A N -0.559 122.154 122.820 -0.179 0.000 1.902 527 A HA -0.020 4.300 4.320 0.001 0.000 0.217 527 A C 2.127 179.410 177.584 -0.500 0.000 1.181 527 A CA 1.738 53.544 52.037 -0.385 0.000 0.623 527 A CB -0.611 18.186 19.000 -0.338 0.000 0.818 527 A HN 0.651 nan 8.150 nan 0.000 0.443 528 L N -0.206 120.779 121.223 -0.396 0.000 2.056 528 L HA -0.025 4.316 4.340 0.001 0.000 0.207 528 L C 2.663 179.284 176.870 -0.414 0.000 1.078 528 L CA 2.147 56.726 54.840 -0.435 0.000 0.749 528 L CB -0.909 40.800 42.059 -0.583 0.000 0.901 528 L HN 0.343 nan 8.230 nan 0.000 0.433 529 A N -1.109 121.521 122.820 -0.318 0.000 1.902 529 A HA -0.293 4.028 4.320 0.001 0.000 0.217 529 A C 2.336 179.794 177.584 -0.209 0.000 1.181 529 A CA 1.890 53.807 52.037 -0.201 0.000 0.623 529 A CB -0.696 18.254 19.000 -0.083 0.000 0.818 529 A HN 0.657 nan 8.150 nan 0.000 0.443 530 Q N -0.782 118.879 119.800 -0.232 0.000 2.119 530 Q HA -0.065 4.276 4.340 0.001 0.000 0.201 530 Q C 2.172 177.976 176.000 -0.326 0.000 0.972 530 Q CA 1.283 56.931 55.803 -0.257 0.000 0.847 530 Q CB -0.293 28.366 28.738 -0.131 0.000 0.903 530 Q HN 0.621 nan 8.270 nan 0.000 0.433 531 A N 0.538 123.199 122.820 -0.266 0.000 1.898 531 A HA -0.139 4.181 4.320 0.001 0.000 0.216 531 A C 1.896 179.413 177.584 -0.111 0.000 1.181 531 A CA 0.878 52.836 52.037 -0.132 0.000 0.620 531 A CB -0.511 18.397 19.000 -0.154 0.000 0.819 531 A HN 0.399 nan 8.150 nan 0.000 0.442 532 L N -0.436 120.684 121.223 -0.171 0.000 2.131 532 L HA -0.113 4.228 4.340 0.001 0.000 0.210 532 L C 2.801 179.623 176.870 -0.081 0.000 1.092 532 L CA 1.834 56.600 54.840 -0.122 0.000 0.759 532 L CB -1.457 40.502 42.059 -0.166 0.000 0.903 532 L HN 0.444 nan 8.230 nan 0.000 0.435 533 A N -2.231 120.501 122.820 -0.147 0.000 2.168 533 A HA -0.079 4.241 4.320 0.001 0.000 0.215 533 A C 0.515 178.107 177.584 0.013 0.000 1.152 533 A CA 0.505 52.473 52.037 -0.114 0.000 0.716 533 A CB -0.556 18.329 19.000 -0.193 0.000 0.794 533 A HN 0.390 nan 8.150 nan 0.000 0.465 534 H N -0.825 118.263 119.070 0.031 0.000 2.472 534 H HA 0.303 4.860 4.556 0.001 0.000 0.338 534 H C -0.623 174.731 175.328 0.043 0.000 1.133 534 H CA -1.358 54.717 56.048 0.045 0.000 1.216 534 H CB 0.862 30.665 29.762 0.067 0.000 1.497 534 H HN 0.221 nan 8.280 nan 0.000 0.500 535 N N 2.852 121.654 118.700 0.170 0.000 3.124 535 N HA 0.111 4.852 4.740 0.001 0.000 0.284 535 N C -0.801 174.771 175.510 0.102 0.000 1.209 535 N CA -0.137 52.977 53.050 0.107 0.000 1.149 535 N CB -0.268 38.265 38.487 0.077 0.000 1.434 535 N HN 0.492 nan 8.380 nan 0.000 0.529 536 R N 0.621 121.197 120.500 0.126 0.000 2.663 536 R HA 0.411 4.751 4.340 0.001 0.000 0.267 536 R C -2.723 173.663 176.300 0.144 0.000 1.038 536 R CA -1.409 54.765 56.100 0.124 0.000 0.886 536 R CB 1.898 32.270 30.300 0.120 0.000 1.249 536 R HN 0.245 nan 8.270 nan 0.000 0.463 537 P HA 0.341 nan 4.420 nan 0.000 0.274 537 P C -1.399 176.030 177.300 0.215 0.000 1.231 537 P CA -0.267 62.947 63.100 0.191 0.000 0.790 537 P CB 1.355 33.192 31.700 0.229 0.000 0.951 538 A N 1.031 123.998 122.820 0.246 0.000 2.606 538 A HA 0.582 4.903 4.320 0.001 0.000 0.293 538 A C -1.454 176.303 177.584 0.287 0.000 1.082 538 A CA -0.532 51.663 52.037 0.262 0.000 0.685 538 A CB 1.292 20.478 19.000 0.309 0.000 1.284 538 A HN 0.660 nan 8.150 nan 0.000 0.408 539 C N 1.999 121.449 119.300 0.251 0.000 2.364 539 C HA 0.801 5.262 4.460 0.001 0.000 0.324 539 C C -1.060 174.101 174.990 0.285 0.000 1.234 539 C CA -0.532 58.633 59.018 0.244 0.000 1.417 539 C CB -1.054 26.726 27.740 0.066 0.000 2.101 539 C HN 0.602 nan 8.230 nan 0.000 0.466 540 I N 6.094 126.794 120.570 0.216 0.000 2.382 540 I HA 0.350 4.520 4.170 0.001 0.000 0.286 540 I C 0.044 176.210 176.117 0.082 0.000 1.002 540 I CA -0.013 61.386 61.300 0.165 0.000 1.135 540 I CB 1.049 39.111 38.000 0.103 0.000 1.288 540 I HN 0.709 nan 8.210 nan 0.000 0.448 541 N N 6.137 124.889 118.700 0.087 0.000 2.462 541 N HA 0.390 5.130 4.740 0.001 0.000 0.242 541 N C -1.206 174.227 175.510 -0.127 0.000 1.010 541 N CA -0.423 52.684 53.050 0.096 0.000 0.939 541 N CB 1.065 39.764 38.487 0.354 0.000 1.127 541 N HN 0.289 nan 8.380 nan 0.000 0.509 542 V N 2.795 122.588 119.914 -0.202 0.000 2.328 542 V HA 0.399 4.519 4.120 0.001 0.000 0.278 542 V C 0.396 176.348 176.094 -0.236 0.000 1.021 542 V CA -1.016 61.062 62.300 -0.370 0.000 0.838 542 V CB 0.845 32.301 31.823 -0.612 0.000 0.999 542 V HN 0.724 nan 8.190 nan 0.000 0.447 543 A N 5.263 127.941 122.820 -0.237 0.000 2.451 543 A HA 0.606 4.926 4.320 0.001 0.000 0.266 543 A C -0.251 177.264 177.584 -0.116 0.000 1.119 543 A CA 0.075 52.049 52.037 -0.105 0.000 0.786 543 A CB 0.302 19.268 19.000 -0.057 0.000 1.061 543 A HN 0.703 nan 8.150 nan 0.000 0.503 544 V N 1.823 121.687 119.914 -0.084 0.000 3.007 544 V HA 0.655 4.776 4.120 0.001 0.000 0.311 544 V C 0.594 176.645 176.094 -0.072 0.000 1.120 544 V CA -0.315 61.925 62.300 -0.099 0.000 0.980 544 V CB 2.048 33.791 31.823 -0.134 0.000 1.033 544 V HN 1.280 nan 8.190 nan 0.000 0.429 545 A N 2.236 124.999 122.820 -0.095 0.000 2.407 545 A HA 0.479 4.800 4.320 0.001 0.000 0.248 545 A C 0.528 178.078 177.584 -0.057 0.000 1.082 545 A CA 0.173 52.167 52.037 -0.072 0.000 0.785 545 A CB 0.373 19.314 19.000 -0.098 0.000 1.020 545 A HN 0.967 nan 8.150 nan 0.000 0.489 546 L N 0.331 121.561 121.223 0.012 0.000 2.316 546 L HA 0.135 4.476 4.340 0.001 0.000 0.207 546 L C 1.399 178.385 176.870 0.194 0.000 1.070 546 L CA 1.613 56.504 54.840 0.084 0.000 0.820 546 L CB -0.415 41.703 42.059 0.098 0.000 0.992 546 L HN 0.735 nan 8.230 nan 0.000 0.466 547 D N 0.302 120.774 120.400 0.120 0.000 2.117 547 D HA -0.061 4.580 4.640 0.001 0.000 0.197 547 D C -1.257 175.122 176.300 0.132 0.000 0.987 547 D CA 0.775 54.842 54.000 0.112 0.000 0.829 547 D CB -1.675 39.152 40.800 0.044 0.000 0.961 547 D HN 0.333 nan 8.370 nan 0.000 0.460 548 P HA 0.067 nan 4.420 nan 0.000 0.266 548 P C -0.183 177.396 177.300 0.465 0.000 1.195 548 P CA 0.281 63.511 63.100 0.218 0.000 0.768 548 P CB 0.505 32.177 31.700 -0.047 0.000 0.838 549 I N 5.302 126.088 120.570 0.359 0.000 2.330 549 I HA 0.273 4.444 4.170 0.001 0.000 0.289 549 I C -1.923 174.168 176.117 -0.044 0.000 1.001 549 I CA -2.469 58.953 61.300 0.203 0.000 1.193 549 I CB 1.441 39.469 38.000 0.047 0.000 1.345 549 I HN 0.188 nan 8.210 nan 0.000 0.461 550 P HA 0.202 nan 4.420 nan 0.000 0.275 550 P C -2.309 174.650 177.300 -0.570 0.000 1.227 550 P CA -1.490 60.860 63.100 -1.250 0.000 0.781 550 P CB 0.538 31.201 31.700 -1.729 0.000 0.906 551 P HA -0.218 nan 4.420 nan 0.000 0.218 551 P C 1.417 178.562 177.300 -0.258 0.000 1.154 551 P CA 1.674 64.608 63.100 -0.276 0.000 0.872 551 P CB 0.006 31.570 31.700 -0.227 0.000 0.790 552 E N -0.599 119.442 120.200 -0.265 0.000 2.204 552 E HA -0.203 4.148 4.350 0.001 0.000 0.195 552 E C 1.940 178.447 176.600 -0.155 0.000 0.990 552 E CA 0.850 57.136 56.400 -0.189 0.000 0.821 552 E CB -0.432 29.191 29.700 -0.127 0.000 0.750 552 E HN 0.504 nan 8.360 nan 0.000 0.477 553 E N 0.696 120.786 120.200 -0.182 0.000 2.268 553 E HA -0.100 4.250 4.350 0.001 0.000 0.195 553 E C 1.746 178.315 176.600 -0.053 0.000 0.995 553 E CA 0.176 56.516 56.400 -0.099 0.000 0.836 553 E CB -0.035 29.620 29.700 -0.076 0.000 0.763 553 E HN 0.198 nan 8.360 nan 0.000 0.491 554 L N 1.282 122.455 121.223 -0.085 0.000 2.642 554 L HA -0.013 4.327 4.340 0.001 0.000 0.236 554 L C 0.677 177.515 176.870 -0.053 0.000 1.169 554 L CA 0.186 54.986 54.840 -0.065 0.000 0.851 554 L CB -0.483 41.529 42.059 -0.079 0.000 0.968 554 L HN 0.177 nan 8.230 nan 0.000 0.453 555 I N 0.000 120.538 120.570 -0.053 0.000 2.984 555 I HA 0.000 4.170 4.170 0.001 0.000 0.288 555 I CA 0.000 61.283 61.300 -0.028 0.000 1.566 555 I CB 0.000 37.943 38.000 -0.096 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494