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 2y4d_1_A DATA FIRST_RESID 13 DATA SEQUENCE DARNEKQPFY GEHQAGILTP QQAAMMLVAF DVLASDKADL ERLFRLLTQR DATA SEQUENCE FAFLTQGGAA PETPNPRLPP LDSGILGGYI APDNLTITLS VGHSLFDERF DATA SEQUENCE GLAPQMPKKL QKMTRFPNDS LDAALCHGDV LLQICANTQD TVIHALRDII DATA SEQUENCE KHTPDLLSVR WKREGFISDH AARSKGKETP INLLGFKDGT ANPDSQNDKL DATA SEQUENCE MQKVVWVTAD QQEPAWTIGG SYQAVRLIQF RVEFWDRTPL KEQQTIFGRD DATA SEQUENCE KQTGAPLGMQ HEHDVPDYAS DPEGKVIALD SHIRLANPXX XXSESSLMLR DATA SEQUENCE RGYSYSLGVT NSGQLDMGLL FVCYQHDLEK GFLTVQKRLN GEALEEYVKP DATA SEQUENCE IGGGYFFALP GVKDANDYFG SALLRV 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 13 D HA 0.000 nan 4.640 nan 0.000 0.175 13 D C 0.000 176.316 176.300 0.027 0.000 2.045 13 D CA 0.000 54.014 54.000 0.023 0.000 0.868 13 D CB 0.000 40.811 40.800 0.018 0.000 0.688 14 A N 1.086 123.922 122.820 0.026 0.000 2.019 14 A HA -0.190 4.131 4.320 0.001 0.000 0.219 14 A C 2.127 179.726 177.584 0.026 0.000 1.164 14 A CA 1.603 53.656 52.037 0.026 0.000 0.644 14 A CB -0.512 18.503 19.000 0.026 0.000 0.805 14 A HN 0.305 nan 8.150 nan 0.000 0.449 15 R N -0.450 120.068 120.500 0.030 0.000 2.237 15 R HA 0.002 4.343 4.340 0.001 0.000 0.219 15 R C 0.508 176.836 176.300 0.047 0.000 1.080 15 R CA 1.512 57.630 56.100 0.031 0.000 0.995 15 R CB -0.374 29.951 30.300 0.043 0.000 0.875 15 R HN 0.339 nan 8.270 nan 0.000 0.462 16 N N 1.122 119.856 118.700 0.057 0.000 2.322 16 N HA 0.020 4.761 4.740 0.001 0.000 0.194 16 N C -0.678 174.857 175.510 0.043 0.000 1.126 16 N CA 0.232 53.322 53.050 0.067 0.000 0.845 16 N CB 0.383 38.908 38.487 0.063 0.000 0.976 16 N HN 0.449 nan 8.380 nan 0.000 0.475 17 E N 1.041 121.258 120.200 0.029 0.000 2.313 17 E HA 0.216 4.567 4.350 0.001 0.000 0.276 17 E C -0.247 176.363 176.600 0.017 0.000 1.031 17 E CA 0.193 56.608 56.400 0.024 0.000 0.857 17 E CB 1.163 30.876 29.700 0.023 0.000 1.040 17 E HN -0.029 nan 8.360 nan 0.000 0.408 18 K N 2.518 122.931 120.400 0.021 0.000 2.324 18 K HA 0.283 4.604 4.320 0.001 0.000 0.253 18 K C -0.640 175.976 176.600 0.027 0.000 0.932 18 K CA -0.902 55.396 56.287 0.018 0.000 0.799 18 K CB 1.709 34.225 32.500 0.026 0.000 1.154 18 K HN 0.275 nan 8.250 nan 0.000 0.425 19 Q N 2.681 122.498 119.800 0.029 0.000 2.282 19 Q HA 0.355 4.696 4.340 0.001 0.000 0.260 19 Q C -2.397 173.639 176.000 0.060 0.000 0.964 19 Q CA -2.212 53.615 55.803 0.041 0.000 0.880 19 Q CB 1.562 30.322 28.738 0.038 0.000 1.286 19 Q HN 0.408 nan 8.270 nan 0.000 0.445 20 P HA 0.024 nan 4.420 nan 0.000 0.271 20 P C 0.042 177.390 177.300 0.080 0.000 1.220 20 P CA -0.060 63.089 63.100 0.081 0.000 0.768 20 P CB 0.497 32.234 31.700 0.061 0.000 0.848 21 F N 3.736 123.646 119.950 -0.067 0.000 2.179 21 F HA 0.086 4.614 4.527 0.001 0.000 0.292 21 F C 0.449 176.125 175.800 -0.208 0.000 1.089 21 F CA 0.582 58.469 58.000 -0.188 0.000 1.295 21 F CB -0.439 38.344 39.000 -0.362 0.000 1.041 21 F HN 0.124 nan 8.300 nan 0.000 0.487 22 Y N 0.512 120.669 120.300 -0.239 0.000 2.300 22 Y HA 0.543 5.094 4.550 0.001 0.000 0.328 22 Y C 0.898 176.651 175.900 -0.245 0.000 1.270 22 Y CA 0.094 57.989 58.100 -0.341 0.000 1.352 22 Y CB 0.598 38.985 38.460 -0.121 0.000 1.286 22 Y HN 0.281 nan 8.280 nan 0.000 0.536 23 G N 0.391 109.137 108.800 -0.089 0.000 2.350 23 G HA2 -0.068 3.892 3.960 0.001 0.000 0.282 23 G HA3 -0.068 3.892 3.960 0.001 0.000 0.282 23 G C 0.114 174.877 174.900 -0.229 0.000 1.314 23 G CA -0.353 44.669 45.100 -0.129 0.000 0.915 23 G HN 0.522 nan 8.290 nan 0.000 0.499 24 E N -0.831 119.179 120.200 -0.317 0.000 2.110 24 E HA -0.099 4.252 4.350 0.001 0.000 0.193 24 E C 0.237 176.378 176.600 -0.766 0.000 0.988 24 E CA 1.013 57.083 56.400 -0.550 0.000 0.804 24 E CB -0.035 29.232 29.700 -0.723 0.000 0.745 24 E HN 0.458 nan 8.360 nan 0.000 0.458 25 H N -0.314 118.522 119.070 -0.389 0.000 2.679 25 H HA 0.277 4.834 4.556 0.001 0.000 0.367 25 H C -0.421 174.758 175.328 -0.248 0.000 1.162 25 H CA -0.701 55.058 56.048 -0.482 0.000 1.181 25 H CB 1.169 30.362 29.762 -0.949 0.000 1.693 25 H HN 0.092 nan 8.280 nan 0.000 0.538 26 Q N 0.589 120.387 119.800 -0.002 0.000 2.392 26 Q HA 0.400 4.741 4.340 0.001 0.000 0.262 26 Q C 0.141 176.171 176.000 0.051 0.000 1.003 26 Q CA -0.385 55.422 55.803 0.007 0.000 0.888 26 Q CB 1.065 29.859 28.738 0.094 0.000 1.260 26 Q HN 0.641 nan 8.270 nan 0.000 0.435 27 A N 0.756 123.588 122.820 0.020 0.000 2.327 27 A HA 0.522 4.842 4.320 0.001 0.000 0.255 27 A C 1.065 178.665 177.584 0.026 0.000 1.099 27 A CA 0.479 52.539 52.037 0.039 0.000 0.801 27 A CB -0.138 18.887 19.000 0.041 0.000 1.062 27 A HN 1.000 nan 8.150 nan 0.000 0.496 28 G N -1.135 107.671 108.800 0.009 0.000 2.176 28 G HA2 -0.225 3.736 3.960 0.001 0.000 0.253 28 G HA3 -0.225 3.736 3.960 0.001 0.000 0.253 28 G C 0.554 175.392 174.900 -0.103 0.000 0.979 28 G CA 0.662 45.756 45.100 -0.011 0.000 0.641 28 G HN 0.636 nan 8.290 nan 0.000 0.530 29 I N -1.175 119.285 120.570 -0.183 0.000 3.345 29 I HA 0.235 4.406 4.170 0.001 0.000 0.258 29 I C 2.117 178.054 176.117 -0.300 0.000 1.134 29 I CA 0.218 61.215 61.300 -0.505 0.000 1.457 29 I CB -0.232 37.382 38.000 -0.642 0.000 1.425 29 I HN 0.075 nan 8.210 nan 0.000 0.461 30 L N 0.678 121.820 121.223 -0.136 0.000 2.446 30 L HA 0.119 4.460 4.340 0.001 0.000 0.219 30 L C 0.825 177.688 176.870 -0.013 0.000 1.116 30 L CA 1.019 55.821 54.840 -0.063 0.000 0.844 30 L CB -0.960 41.120 42.059 0.036 0.000 0.970 30 L HN 0.116 nan 8.230 nan 0.000 0.457 31 T N 2.034 116.590 114.554 0.004 0.000 2.905 31 T HA 0.045 4.395 4.350 0.001 0.000 0.299 31 T C -2.161 172.550 174.700 0.018 0.000 1.024 31 T CA -0.702 61.410 62.100 0.020 0.000 1.151 31 T CB 0.046 68.931 68.868 0.028 0.000 0.987 31 T HN -0.009 nan 8.240 nan 0.000 0.535 32 P HA 0.045 nan 4.420 nan 0.000 0.266 32 P C -0.095 177.222 177.300 0.029 0.000 1.193 32 P CA -0.082 63.026 63.100 0.014 0.000 0.770 32 P CB 0.355 32.063 31.700 0.014 0.000 0.836 33 Q N 1.841 121.648 119.800 0.011 0.000 2.289 33 Q HA 0.068 4.408 4.340 0.001 0.000 0.273 33 Q C -0.030 176.017 176.000 0.077 0.000 1.029 33 Q CA 0.034 55.862 55.803 0.041 0.000 0.896 33 Q CB 0.321 28.981 28.738 -0.129 0.000 1.182 33 Q HN 0.402 nan 8.270 nan 0.000 0.385 34 Q N 0.500 120.402 119.800 0.169 0.000 2.317 34 Q HA 0.279 4.620 4.340 0.001 0.000 0.229 34 Q C 0.687 176.829 176.000 0.237 0.000 0.984 34 Q CA 0.113 56.007 55.803 0.151 0.000 0.911 34 Q CB 0.620 29.430 28.738 0.120 0.000 1.217 34 Q HN 0.798 nan 8.270 nan 0.000 0.501 35 A N 0.375 123.301 122.820 0.176 0.000 2.014 35 A HA 0.294 4.615 4.320 0.001 0.000 0.218 35 A C 0.637 178.396 177.584 0.292 0.000 1.163 35 A CA 1.203 53.367 52.037 0.212 0.000 0.652 35 A CB -0.130 18.950 19.000 0.134 0.000 0.808 35 A HN 0.621 nan 8.150 nan 0.000 0.449 36 A N -0.597 122.340 122.820 0.194 0.000 2.374 36 A HA 0.784 5.105 4.320 0.001 0.000 0.317 36 A C -0.503 177.033 177.584 -0.079 0.000 1.094 36 A CA -0.342 51.758 52.037 0.105 0.000 0.765 36 A CB 0.862 19.898 19.000 0.060 0.000 1.268 36 A HN 0.988 nan 8.150 nan 0.000 0.438 37 M N 1.144 120.614 119.600 -0.217 0.000 2.520 37 M HA 0.801 5.282 4.480 0.001 0.000 0.283 37 M C -1.087 175.062 176.300 -0.252 0.000 1.237 37 M CA -0.342 54.694 55.300 -0.439 0.000 0.885 37 M CB 1.944 33.791 32.600 -1.255 0.000 1.727 37 M HN 0.768 nan 8.290 nan 0.000 0.468 38 M N 3.217 122.684 119.600 -0.221 0.000 2.324 38 M HA 0.641 5.122 4.480 0.001 0.000 0.288 38 M C -2.446 173.755 176.300 -0.164 0.000 1.097 38 M CA -0.661 54.549 55.300 -0.151 0.000 0.928 38 M CB 2.001 34.532 32.600 -0.114 0.000 1.648 38 M HN 0.940 nan 8.290 nan 0.000 0.460 39 L N 5.432 126.577 121.223 -0.131 0.000 2.296 39 L HA 0.717 5.057 4.340 0.001 0.000 0.286 39 L C -1.173 175.514 176.870 -0.306 0.000 1.023 39 L CA -0.874 53.865 54.840 -0.168 0.000 0.812 39 L CB 1.822 43.882 42.059 0.001 0.000 1.223 39 L HN 0.498 nan 8.230 nan 0.000 0.421 40 V N 2.224 121.867 119.914 -0.451 0.000 2.524 40 V HA 0.643 4.764 4.120 0.001 0.000 0.297 40 V C -0.001 175.577 176.094 -0.859 0.000 1.035 40 V CA -0.677 61.238 62.300 -0.643 0.000 0.867 40 V CB 1.503 33.028 31.823 -0.497 0.000 1.004 40 V HN 0.806 nan 8.190 nan 0.000 0.426 41 A N 4.571 126.643 122.820 -1.247 0.000 2.306 41 A HA 0.966 5.286 4.320 0.001 0.000 0.314 41 A C -1.124 175.989 177.584 -0.785 0.000 1.164 41 A CA -0.276 51.158 52.037 -1.006 0.000 0.822 41 A CB 0.736 18.834 19.000 -1.504 0.000 1.130 41 A HN 0.648 nan 8.150 nan 0.000 0.496 42 F N 0.419 120.245 119.950 -0.206 0.000 2.563 42 F HA 0.340 4.868 4.527 0.001 0.000 0.316 42 F C -0.294 175.514 175.800 0.013 0.000 1.076 42 F CA -0.608 57.345 58.000 -0.079 0.000 0.921 42 F CB 2.159 41.128 39.000 -0.051 0.000 1.209 42 F HN 0.478 nan 8.300 nan 0.000 0.462 43 D N 2.017 122.557 120.400 0.233 0.000 2.264 43 D HA 0.256 4.897 4.640 0.001 0.000 0.250 43 D C -0.391 176.024 176.300 0.191 0.000 1.113 43 D CA -0.059 54.060 54.000 0.198 0.000 0.871 43 D CB 2.095 42.986 40.800 0.152 0.000 1.167 43 D HN 0.076 nan 8.370 nan 0.000 0.447 44 V N 3.460 123.477 119.914 0.173 0.000 2.488 44 V HA 0.048 4.168 4.120 0.001 0.000 0.277 44 V C 1.419 177.600 176.094 0.144 0.000 1.046 44 V CA -0.120 62.257 62.300 0.129 0.000 0.986 44 V CB 1.036 32.922 31.823 0.104 0.000 0.989 44 V HN 0.450 nan 8.190 nan 0.000 0.475 45 L N 4.243 125.525 121.223 0.098 0.000 2.640 45 L HA 0.357 4.698 4.340 0.001 0.000 0.230 45 L C 1.434 178.360 176.870 0.093 0.000 1.123 45 L CA -0.042 54.852 54.840 0.090 0.000 0.900 45 L CB -0.036 42.059 42.059 0.060 0.000 1.146 45 L HN 0.731 nan 8.230 nan 0.000 0.484 46 A N 0.090 122.971 122.820 0.101 0.000 2.566 46 A HA 0.043 4.364 4.320 0.001 0.000 0.245 46 A C 1.455 179.182 177.584 0.240 0.000 1.056 46 A CA 0.395 52.497 52.037 0.109 0.000 0.757 46 A CB 0.334 19.316 19.000 -0.029 0.000 0.979 46 A HN 0.262 nan 8.150 nan 0.000 0.508 47 S N 0.749 116.528 115.700 0.131 0.000 2.383 47 S HA -0.027 4.444 4.470 0.001 0.000 0.227 47 S C 0.640 175.303 174.600 0.105 0.000 1.026 47 S CA 1.561 59.811 58.200 0.083 0.000 0.981 47 S CB -0.138 63.081 63.200 0.032 0.000 0.818 47 S HN 0.935 nan 8.310 nan 0.000 0.472 48 D N -1.509 119.014 120.400 0.206 0.000 2.677 48 D HA 0.267 4.907 4.640 0.001 0.000 0.298 48 D C 0.342 176.808 176.300 0.277 0.000 1.250 48 D CA -0.657 53.467 54.000 0.206 0.000 0.888 48 D CB 0.830 41.667 40.800 0.061 0.000 1.397 48 D HN -0.186 nan 8.370 nan 0.000 0.461 49 K N 0.193 120.716 120.400 0.205 0.000 2.211 49 K HA -0.098 4.223 4.320 0.001 0.000 0.204 49 K C 1.449 177.994 176.600 -0.092 0.000 1.047 49 K CA 1.917 58.225 56.287 0.035 0.000 0.935 49 K CB -0.156 32.358 32.500 0.023 0.000 0.728 49 K HN 0.315 nan 8.250 nan 0.000 0.452 50 A N 0.709 123.500 122.820 -0.048 0.000 1.898 50 A HA -0.123 4.198 4.320 0.001 0.000 0.214 50 A C 1.833 179.353 177.584 -0.106 0.000 1.183 50 A CA 1.621 53.613 52.037 -0.075 0.000 0.622 50 A CB -0.487 18.486 19.000 -0.045 0.000 0.824 50 A HN 0.365 nan 8.150 nan 0.000 0.444 51 D N -0.513 119.838 120.400 -0.081 0.000 2.178 51 D HA -0.110 4.531 4.640 0.001 0.000 0.201 51 D C 1.780 177.955 176.300 -0.208 0.000 0.980 51 D CA 0.870 54.811 54.000 -0.098 0.000 0.842 51 D CB -0.140 40.640 40.800 -0.032 0.000 0.948 51 D HN 0.280 nan 8.370 nan 0.000 0.472 52 L N 1.026 122.044 121.223 -0.343 0.000 2.056 52 L HA -0.075 4.266 4.340 0.001 0.000 0.207 52 L C 2.110 178.634 176.870 -0.577 0.000 1.078 52 L CA 1.769 56.220 54.840 -0.647 0.000 0.749 52 L CB -0.569 40.856 42.059 -1.057 0.000 0.901 52 L HN 0.005 nan 8.230 nan 0.000 0.433 53 E N -0.438 119.529 120.200 -0.389 0.000 2.058 53 E HA -0.330 4.020 4.350 0.001 0.000 0.194 53 E C 2.424 178.903 176.600 -0.202 0.000 0.997 53 E CA 1.429 57.684 56.400 -0.242 0.000 0.801 53 E CB -0.171 29.427 29.700 -0.169 0.000 0.746 53 E HN 0.462 nan 8.360 nan 0.000 0.450 54 R N 0.234 120.624 120.500 -0.183 0.000 2.103 54 R HA -0.205 4.136 4.340 0.001 0.000 0.242 54 R C 2.564 178.802 176.300 -0.102 0.000 1.142 54 R CA 1.573 57.588 56.100 -0.141 0.000 0.960 54 R CB -0.354 29.879 30.300 -0.112 0.000 0.858 54 R HN 0.257 nan 8.270 nan 0.000 0.439 55 L N 0.044 121.202 121.223 -0.109 0.000 1.994 55 L HA -0.117 4.224 4.340 0.001 0.000 0.208 55 L C 1.921 178.867 176.870 0.128 0.000 1.071 55 L CA 1.766 56.584 54.840 -0.036 0.000 0.745 55 L CB -0.720 41.294 42.059 -0.075 0.000 0.892 55 L HN 0.103 nan 8.230 nan 0.000 0.431 56 F N 0.502 120.394 119.950 -0.097 0.000 2.161 56 F HA -0.162 4.365 4.527 0.001 0.000 0.300 56 F C 2.700 178.557 175.800 0.095 0.000 1.089 56 F CA 1.347 59.370 58.000 0.038 0.000 1.282 56 F CB -0.938 38.147 39.000 0.141 0.000 1.010 56 F HN 0.155 nan 8.300 nan 0.000 0.485 57 R N -0.579 119.997 120.500 0.126 0.000 2.075 57 R HA -0.144 4.197 4.340 0.001 0.000 0.232 57 R C 2.130 178.409 176.300 -0.034 0.000 1.126 57 R CA 1.067 57.150 56.100 -0.029 0.000 0.963 57 R CB -0.788 29.360 30.300 -0.253 0.000 0.858 57 R HN 0.205 nan 8.270 nan 0.000 0.435 58 L N 1.089 122.278 121.223 -0.057 0.000 2.056 58 L HA -0.103 4.237 4.340 0.001 0.000 0.207 58 L C 1.891 178.659 176.870 -0.170 0.000 1.078 58 L CA 1.590 56.371 54.840 -0.097 0.000 0.749 58 L CB -0.301 41.712 42.059 -0.077 0.000 0.901 58 L HN 0.128 nan 8.230 nan 0.000 0.433 59 L N -1.321 119.777 121.223 -0.209 0.000 2.046 59 L HA -0.203 4.138 4.340 0.001 0.000 0.208 59 L C 2.334 178.836 176.870 -0.613 0.000 1.077 59 L CA 1.647 56.148 54.840 -0.566 0.000 0.747 59 L CB -1.226 40.434 42.059 -0.665 0.000 0.896 59 L HN 0.269 nan 8.230 nan 0.000 0.432 60 T N -0.612 113.856 114.554 -0.143 0.000 2.635 60 T HA -0.293 4.058 4.350 0.001 0.000 0.267 60 T C 1.880 176.457 174.700 -0.206 0.000 1.040 60 T CA 1.646 63.669 62.100 -0.128 0.000 1.156 60 T CB -0.312 68.543 68.868 -0.022 0.000 0.863 60 T HN 0.406 nan 8.240 nan 0.000 0.430 61 Q N 0.160 119.876 119.800 -0.140 0.000 2.050 61 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 61 Q C 2.764 178.682 176.000 -0.136 0.000 0.980 61 Q CA 0.966 56.700 55.803 -0.115 0.000 0.840 61 Q CB -0.131 28.548 28.738 -0.099 0.000 0.898 61 Q HN 0.267 nan 8.270 nan 0.000 0.424 62 R N 0.177 120.575 120.500 -0.169 0.000 2.081 62 R HA -0.081 4.259 4.340 0.001 0.000 0.235 62 R C 2.105 178.452 176.300 0.077 0.000 1.131 62 R CA 1.180 57.245 56.100 -0.059 0.000 0.960 62 R CB -0.812 29.447 30.300 -0.069 0.000 0.856 62 R HN 0.271 nan 8.270 nan 0.000 0.436 63 F N 0.790 120.577 119.950 -0.273 0.000 2.186 63 F HA 0.070 4.597 4.527 0.001 0.000 0.299 63 F C 2.445 177.739 175.800 -0.843 0.000 1.090 63 F CA 0.285 58.023 58.000 -0.438 0.000 1.307 63 F CB -1.414 37.382 39.000 -0.341 0.000 1.019 63 F HN 0.042 nan 8.300 nan 0.000 0.489 64 A N -0.051 122.216 122.820 -0.922 0.000 1.908 64 A HA -0.244 4.076 4.320 0.001 0.000 0.218 64 A C 2.163 179.590 177.584 -0.262 0.000 1.181 64 A CA 1.619 53.158 52.037 -0.829 0.000 0.627 64 A CB -1.416 17.290 19.000 -0.489 0.000 0.818 64 A HN 0.334 nan 8.150 nan 0.000 0.445 65 F N 0.332 120.146 119.950 -0.227 0.000 2.128 65 F HA -0.027 4.501 4.527 0.001 0.000 0.295 65 F C 1.834 177.575 175.800 -0.098 0.000 1.100 65 F CA 1.506 59.436 58.000 -0.117 0.000 1.260 65 F CB -0.345 38.600 39.000 -0.091 0.000 1.009 65 F HN 0.120 nan 8.300 nan 0.000 0.476 66 L N 0.093 121.134 121.223 -0.304 0.000 2.056 66 L HA -0.182 4.159 4.340 0.001 0.000 0.207 66 L C 2.608 179.284 176.870 -0.322 0.000 1.078 66 L CA 1.828 56.458 54.840 -0.351 0.000 0.749 66 L CB -1.153 40.856 42.059 -0.084 0.000 0.901 66 L HN 0.342 nan 8.230 nan 0.000 0.433 67 T N -4.227 110.181 114.554 -0.243 0.000 2.951 67 T HA -0.119 4.232 4.350 0.001 0.000 0.268 67 T C 1.782 176.396 174.700 -0.144 0.000 1.073 67 T CA 0.576 62.582 62.100 -0.157 0.000 1.134 67 T CB -0.055 68.767 68.868 -0.076 0.000 0.884 67 T HN 0.173 nan 8.240 nan 0.000 0.479 68 Q N 1.107 120.799 119.800 -0.181 0.000 2.354 68 Q HA 0.359 4.699 4.340 0.001 0.000 0.203 68 Q C 1.535 177.427 176.000 -0.181 0.000 0.933 68 Q CA 0.779 56.512 55.803 -0.117 0.000 0.901 68 Q CB -0.243 28.471 28.738 -0.039 0.000 1.007 68 Q HN 0.781 nan 8.270 nan 0.000 0.495 69 G N -0.312 108.261 108.800 -0.377 0.000 2.782 69 G HA2 0.155 4.115 3.960 0.001 0.000 0.228 69 G HA3 0.155 4.115 3.960 0.001 0.000 0.228 69 G C 0.064 174.739 174.900 -0.375 0.000 1.372 69 G CA -0.014 44.794 45.100 -0.486 0.000 0.862 69 G HN 0.793 nan 8.290 nan 0.000 0.547 70 G N -2.068 106.544 108.800 -0.313 0.000 2.361 70 G HA2 0.653 4.614 3.960 0.001 0.000 0.305 70 G HA3 0.653 4.614 3.960 0.001 0.000 0.305 70 G C 0.047 175.078 174.900 0.218 0.000 1.367 70 G CA 0.862 46.039 45.100 0.129 0.000 0.951 70 G HN 2.574 nan 8.290 nan 0.000 0.615 71 A N -0.273 122.765 122.820 0.363 0.000 2.565 71 A HA 0.636 4.956 4.320 0.001 0.000 0.237 71 A C 1.266 179.016 177.584 0.277 0.000 1.053 71 A CA 1.242 53.466 52.037 0.312 0.000 0.755 71 A CB -0.118 19.007 19.000 0.208 0.000 0.980 71 A HN 2.492 nan 8.150 nan 0.000 0.506 72 A N 4.586 127.534 122.820 0.213 0.000 2.511 72 A HA 0.508 4.828 4.320 0.001 0.000 0.242 72 A C -1.924 175.758 177.584 0.164 0.000 1.069 72 A CA -0.945 51.219 52.037 0.211 0.000 0.763 72 A CB -0.683 18.402 19.000 0.141 0.000 1.001 72 A HN 0.706 nan 8.150 nan 0.000 0.498 73 P HA 0.199 nan 4.420 nan 0.000 0.266 73 P C -0.220 177.107 177.300 0.046 0.000 1.195 73 P CA 0.078 63.200 63.100 0.036 0.000 0.768 73 P CB 0.493 32.175 31.700 -0.031 0.000 0.838 74 E N 0.699 120.916 120.200 0.028 0.000 2.319 74 E HA 0.321 4.672 4.350 0.001 0.000 0.268 74 E C -0.506 176.103 176.600 0.015 0.000 1.050 74 E CA -0.224 56.192 56.400 0.027 0.000 0.878 74 E CB 0.483 30.197 29.700 0.023 0.000 1.066 74 E HN 0.222 nan 8.360 nan 0.000 0.406 75 T N 5.914 120.478 114.554 0.016 0.000 3.332 75 T HA 0.213 4.564 4.350 0.001 0.000 0.385 75 T C -1.844 172.859 174.700 0.005 0.000 1.695 75 T CA -1.080 61.025 62.100 0.007 0.000 1.397 75 T CB 0.703 69.576 68.868 0.008 0.000 1.100 75 T HN 0.427 nan 8.240 nan 0.000 0.669 76 P HA -0.007 nan 4.420 nan 0.000 0.219 76 P C 0.420 177.720 177.300 0.000 0.000 1.150 76 P CA 0.694 63.795 63.100 0.003 0.000 0.814 76 P CB 0.228 31.929 31.700 0.001 0.000 0.787 77 N N 1.147 119.845 118.700 -0.003 0.000 2.500 77 N HA 0.118 4.859 4.740 0.001 0.000 0.236 77 N C -1.882 173.625 175.510 -0.005 0.000 1.022 77 N CA -2.354 50.694 53.050 -0.004 0.000 0.935 77 N CB 0.728 39.211 38.487 -0.008 0.000 1.147 77 N HN -0.049 nan 8.380 nan 0.000 0.512 78 P HA 0.063 nan 4.420 nan 0.000 0.245 78 P C 0.521 177.819 177.300 -0.004 0.000 1.212 78 P CA 0.461 63.560 63.100 -0.001 0.000 0.774 78 P CB 0.312 32.013 31.700 0.001 0.000 0.999 79 R N -0.820 119.677 120.500 -0.006 0.000 2.275 79 R HA 0.186 4.527 4.340 0.001 0.000 0.199 79 R C 0.885 177.179 176.300 -0.011 0.000 0.989 79 R CA 0.124 56.220 56.100 -0.007 0.000 1.016 79 R CB -0.172 30.124 30.300 -0.007 0.000 0.918 79 R HN 0.269 nan 8.270 nan 0.000 0.473 80 L N 1.741 122.956 121.223 -0.013 0.000 2.379 80 L HA 0.329 4.669 4.340 0.001 0.000 0.269 80 L C -2.039 174.819 176.870 -0.019 0.000 1.084 80 L CA -2.417 52.411 54.840 -0.019 0.000 0.802 80 L CB 0.785 42.830 42.059 -0.023 0.000 1.175 80 L HN -0.217 nan 8.230 nan 0.000 0.448 81 P HA 0.041 nan 4.420 nan 0.000 0.265 81 P C -2.451 174.834 177.300 -0.025 0.000 1.187 81 P CA -0.678 62.406 63.100 -0.027 0.000 0.766 81 P CB -0.361 31.315 31.700 -0.040 0.000 0.820 82 P HA 0.025 nan 4.420 nan 0.000 0.265 82 P C 0.855 178.150 177.300 -0.008 0.000 1.193 82 P CA 0.271 63.370 63.100 -0.001 0.000 0.765 82 P CB 0.364 32.073 31.700 0.014 0.000 0.823 83 L N 0.458 121.680 121.223 -0.001 0.000 2.362 83 L HA -0.047 4.294 4.340 0.001 0.000 0.219 83 L C 0.847 177.740 176.870 0.039 0.000 1.134 83 L CA 1.338 56.176 54.840 -0.004 0.000 0.807 83 L CB -0.440 41.618 42.059 -0.001 0.000 0.927 83 L HN 0.475 nan 8.230 nan 0.000 0.447 84 D N -2.154 118.285 120.400 0.065 0.000 2.732 84 D HA 0.129 4.770 4.640 0.001 0.000 0.229 84 D C 0.956 177.313 176.300 0.095 0.000 1.152 84 D CA -0.137 53.936 54.000 0.122 0.000 0.854 84 D CB 1.546 42.464 40.800 0.197 0.000 1.590 84 D HN -0.089 nan 8.370 nan 0.000 0.468 85 S N 1.813 117.572 115.700 0.099 0.000 2.447 85 S HA 0.105 4.576 4.470 0.001 0.000 0.233 85 S C 1.895 176.553 174.600 0.095 0.000 1.006 85 S CA 0.723 58.968 58.200 0.076 0.000 0.957 85 S CB -0.349 62.887 63.200 0.060 0.000 0.773 85 S HN 1.166 nan 8.310 nan 0.000 0.507 86 G N 1.840 110.721 108.800 0.135 0.000 2.162 86 G HA2 -0.341 3.620 3.960 0.001 0.000 0.260 86 G HA3 -0.341 3.620 3.960 0.001 0.000 0.260 86 G C 0.644 175.596 174.900 0.087 0.000 0.976 86 G CA 0.422 45.582 45.100 0.099 0.000 0.655 86 G HN 1.038 nan 8.290 nan 0.000 0.533 87 I N -2.072 118.571 120.570 0.123 0.000 2.614 87 I HA 0.208 4.378 4.170 0.001 0.000 0.258 87 I C 2.073 178.217 176.117 0.043 0.000 1.189 87 I CA 1.130 62.480 61.300 0.084 0.000 1.462 87 I CB -0.245 37.813 38.000 0.095 0.000 1.092 87 I HN 0.226 nan 8.210 nan 0.000 0.442 88 L N 1.293 122.519 121.223 0.006 0.000 2.585 88 L HA 0.460 4.800 4.340 0.001 0.000 0.226 88 L C 1.298 178.151 176.870 -0.029 0.000 1.113 88 L CA 0.369 55.170 54.840 -0.066 0.000 0.876 88 L CB -0.625 41.292 42.059 -0.236 0.000 1.072 88 L HN 0.618 nan 8.230 nan 0.000 0.468 89 G N 0.336 109.140 108.800 0.006 0.000 2.508 89 G HA2 -0.237 3.723 3.960 0.001 0.000 0.220 89 G HA3 -0.237 3.723 3.960 0.001 0.000 0.220 89 G C 0.588 175.512 174.900 0.040 0.000 1.287 89 G CA -0.330 44.787 45.100 0.028 0.000 0.916 89 G HN 0.184 nan 8.290 nan 0.000 0.574 90 G N -1.067 107.773 108.800 0.067 0.000 2.712 90 G HA2 0.372 4.332 3.960 0.001 0.000 0.212 90 G HA3 0.372 4.332 3.960 0.001 0.000 0.212 90 G C 0.419 175.414 174.900 0.159 0.000 1.142 90 G CA 1.625 46.782 45.100 0.094 0.000 0.789 90 G HN 1.222 nan 8.290 nan 0.000 0.535 91 Y N 0.916 121.204 120.300 -0.019 0.000 2.376 91 Y HA 0.539 5.089 4.550 0.001 0.000 0.340 91 Y C -0.866 174.981 175.900 -0.088 0.000 0.965 91 Y CA -2.389 55.692 58.100 -0.031 0.000 1.078 91 Y CB 1.303 39.745 38.460 -0.029 0.000 1.193 91 Y HN -0.167 nan 8.280 nan 0.000 0.452 92 I N 6.597 126.783 120.570 -0.640 0.000 2.256 92 I HA 0.325 4.495 4.170 0.001 0.000 0.294 92 I C 0.594 176.067 176.117 -1.074 0.000 1.127 92 I CA -0.539 60.330 61.300 -0.719 0.000 1.247 92 I CB -0.552 37.151 38.000 -0.495 0.000 1.460 92 I HN 0.741 nan 8.210 nan 0.000 0.511 93 A N 9.638 131.907 122.820 -0.917 0.000 2.462 93 A HA 0.424 4.745 4.320 0.001 0.000 0.243 93 A C -0.971 176.397 177.584 -0.361 0.000 1.076 93 A CA -0.789 50.871 52.037 -0.627 0.000 0.773 93 A CB -0.074 18.829 19.000 -0.161 0.000 1.010 93 A HN 0.511 nan 8.150 nan 0.000 0.493 94 P HA -0.140 nan 4.420 nan 0.000 0.216 94 P C 0.266 177.505 177.300 -0.102 0.000 1.153 94 P CA 1.449 64.455 63.100 -0.156 0.000 0.848 94 P CB -0.162 31.489 31.700 -0.082 0.000 0.787 95 D N -0.707 119.656 120.400 -0.062 0.000 2.737 95 D HA -0.185 4.456 4.640 0.001 0.000 0.233 95 D C -0.152 176.135 176.300 -0.021 0.000 1.155 95 D CA 0.894 54.873 54.000 -0.035 0.000 0.667 95 D CB -2.017 38.752 40.800 -0.052 0.000 1.060 95 D HN 0.038 nan 8.370 nan 0.000 0.427 96 N N -1.924 116.768 118.700 -0.013 0.000 2.714 96 N HA -0.247 4.494 4.740 0.001 0.000 0.250 96 N C -0.097 175.409 175.510 -0.007 0.000 1.117 96 N CA 0.909 53.959 53.050 0.001 0.000 0.719 96 N CB -1.135 37.362 38.487 0.017 0.000 1.081 96 N HN 0.539 nan 8.380 nan 0.000 0.557 97 L N 1.426 122.630 121.223 -0.032 0.000 2.455 97 L HA 0.225 4.566 4.340 0.001 0.000 0.272 97 L C 0.797 177.649 176.870 -0.030 0.000 1.174 97 L CA 0.491 55.303 54.840 -0.047 0.000 0.869 97 L CB 0.627 42.638 42.059 -0.081 0.000 1.130 97 L HN 0.278 nan 8.230 nan 0.000 0.474 98 T N 3.490 118.025 114.554 -0.032 0.000 2.876 98 T HA 0.729 5.080 4.350 0.001 0.000 0.289 98 T C -0.396 174.257 174.700 -0.078 0.000 1.014 98 T CA -0.662 61.431 62.100 -0.012 0.000 0.986 98 T CB 1.203 70.081 68.868 0.016 0.000 1.021 98 T HN 0.459 nan 8.240 nan 0.000 0.458 99 I N 2.311 122.828 120.570 -0.087 0.000 2.468 99 I HA 0.335 4.505 4.170 0.001 0.000 0.284 99 I C -0.377 175.682 176.117 -0.097 0.000 1.038 99 I CA -0.739 60.398 61.300 -0.272 0.000 1.083 99 I CB 2.174 39.698 38.000 -0.795 0.000 1.223 99 I HN 0.678 nan 8.210 nan 0.000 0.443 100 T N 6.665 121.174 114.554 -0.074 0.000 2.771 100 T HA 0.503 4.854 4.350 0.001 0.000 0.281 100 T C -0.536 174.149 174.700 -0.024 0.000 0.982 100 T CA -0.399 61.714 62.100 0.022 0.000 0.978 100 T CB 1.683 70.571 68.868 0.032 0.000 0.930 100 T HN 0.258 nan 8.240 nan 0.000 0.447 101 L N 4.063 125.266 121.223 -0.033 0.000 2.296 101 L HA 0.762 5.103 4.340 0.001 0.000 0.286 101 L C -0.086 176.729 176.870 -0.092 0.000 1.023 101 L CA -0.085 54.659 54.840 -0.160 0.000 0.812 101 L CB 1.161 42.888 42.059 -0.554 0.000 1.223 101 L HN 0.739 nan 8.230 nan 0.000 0.421 102 S N 3.980 119.656 115.700 -0.039 0.000 2.599 102 S HA 0.909 5.379 4.470 0.001 0.000 0.287 102 S C -0.668 174.076 174.600 0.240 0.000 1.105 102 S CA -0.326 57.945 58.200 0.117 0.000 0.899 102 S CB 1.648 64.933 63.200 0.142 0.000 1.100 102 S HN 1.068 nan 8.310 nan 0.000 0.482 103 V N -0.769 119.427 119.914 0.470 0.000 2.604 103 V HA 0.961 5.081 4.120 0.001 0.000 0.305 103 V C 0.453 176.976 176.094 0.716 0.000 1.043 103 V CA -0.407 62.211 62.300 0.529 0.000 0.888 103 V CB 0.942 33.035 31.823 0.450 0.000 0.995 103 V HN 1.248 nan 8.190 nan 0.000 0.429 104 G N 0.873 110.066 108.800 0.655 0.000 2.504 104 G HA2 0.285 4.246 3.960 0.001 0.000 0.288 104 G HA3 0.285 4.246 3.960 0.001 0.000 0.288 104 G C 0.588 175.789 174.900 0.502 0.000 1.182 104 G CA -0.000 45.377 45.100 0.462 0.000 0.894 104 G HN 1.089 nan 8.290 nan 0.000 0.521 105 H N 0.614 119.864 119.070 0.300 0.000 2.362 105 H HA -0.243 4.313 4.556 0.001 0.000 0.294 105 H C 2.537 178.070 175.328 0.341 0.000 1.113 105 H CA 2.446 58.684 56.048 0.316 0.000 1.253 105 H CB -0.177 29.666 29.762 0.136 0.000 1.363 105 H HN 0.519 nan 8.280 nan 0.000 0.494 106 S N 0.212 116.100 115.700 0.313 0.000 2.419 106 S HA -0.141 4.330 4.470 0.001 0.000 0.233 106 S C 2.251 176.952 174.600 0.169 0.000 1.016 106 S CA 1.071 59.399 58.200 0.212 0.000 0.974 106 S CB -0.678 62.641 63.200 0.199 0.000 0.786 106 S HN 0.335 nan 8.310 nan 0.000 0.492 107 L N 0.188 121.518 121.223 0.178 0.000 2.362 107 L HA 0.282 4.623 4.340 0.001 0.000 0.219 107 L C 0.857 177.648 176.870 -0.132 0.000 1.134 107 L CA 1.241 56.102 54.840 0.035 0.000 0.807 107 L CB -0.556 41.425 42.059 -0.129 0.000 0.927 107 L HN 0.336 nan 8.230 nan 0.000 0.447 108 F N -0.535 119.448 119.950 0.056 0.000 2.660 108 F HA 0.156 4.684 4.527 0.001 0.000 0.297 108 F C 1.127 176.893 175.800 -0.057 0.000 1.132 108 F CA -0.947 57.051 58.000 -0.004 0.000 1.372 108 F CB -0.649 38.322 39.000 -0.049 0.000 1.003 108 F HN 0.198 nan 8.300 nan 0.000 0.524 109 D N -0.105 120.329 120.400 0.057 0.000 2.376 109 D HA -0.057 4.583 4.640 0.001 0.000 0.281 109 D C 1.504 177.777 176.300 -0.046 0.000 1.215 109 D CA -0.002 53.998 54.000 0.000 0.000 1.062 109 D CB 0.046 40.839 40.800 -0.013 0.000 1.124 109 D HN 0.173 nan 8.370 nan 0.000 0.550 110 E N -0.155 119.994 120.200 -0.086 0.000 2.427 110 E HA -0.113 4.238 4.350 0.001 0.000 0.196 110 E C 1.738 178.210 176.600 -0.213 0.000 1.028 110 E CA 0.379 56.715 56.400 -0.106 0.000 0.864 110 E CB -0.312 29.340 29.700 -0.080 0.000 0.813 110 E HN 0.433 nan 8.360 nan 0.000 0.514 111 R N -0.391 119.868 120.500 -0.403 0.000 2.092 111 R HA -0.009 4.332 4.340 0.001 0.000 0.231 111 R C 0.863 176.704 176.300 -0.765 0.000 1.119 111 R CA 1.624 57.266 56.100 -0.762 0.000 0.970 111 R CB -0.126 29.345 30.300 -1.382 0.000 0.864 111 R HN 0.194 nan 8.270 nan 0.000 0.440 112 F N -2.119 117.775 119.950 -0.093 0.000 2.798 112 F HA 0.382 4.909 4.527 0.001 0.000 0.328 112 F C 1.158 176.893 175.800 -0.108 0.000 1.098 112 F CA 0.036 57.962 58.000 -0.125 0.000 1.172 112 F CB 1.007 39.890 39.000 -0.196 0.000 1.072 112 F HN 0.094 nan 8.300 nan 0.000 0.555 113 G N 1.077 109.899 108.800 0.035 0.000 2.148 113 G HA2 -0.296 3.665 3.960 0.001 0.000 0.254 113 G HA3 -0.296 3.665 3.960 0.001 0.000 0.254 113 G C 0.823 175.751 174.900 0.047 0.000 0.981 113 G CA 0.565 45.682 45.100 0.028 0.000 0.670 113 G HN 0.412 nan 8.290 nan 0.000 0.528 114 L N -0.156 121.105 121.223 0.064 0.000 2.591 114 L HA 0.358 4.699 4.340 0.001 0.000 0.228 114 L C 2.946 179.987 176.870 0.285 0.000 1.133 114 L CA 0.749 55.653 54.840 0.106 0.000 0.880 114 L CB -0.384 41.632 42.059 -0.072 0.000 1.033 114 L HN 0.319 nan 8.230 nan 0.000 0.450 115 A N 1.570 124.511 122.820 0.201 0.000 1.927 115 A HA -0.159 4.162 4.320 0.001 0.000 0.220 115 A C 0.029 177.702 177.584 0.149 0.000 1.185 115 A CA 1.825 53.974 52.037 0.186 0.000 0.639 115 A CB -1.696 17.362 19.000 0.097 0.000 0.820 115 A HN 0.304 nan 8.150 nan 0.000 0.451 116 P HA -0.094 nan 4.420 nan 0.000 0.222 116 P C 0.972 178.355 177.300 0.137 0.000 1.147 116 P CA 0.870 64.032 63.100 0.103 0.000 0.790 116 P CB 0.038 31.790 31.700 0.086 0.000 0.780 117 Q N -1.574 118.353 119.800 0.211 0.000 2.360 117 Q HA 0.140 4.481 4.340 0.001 0.000 0.202 117 Q C 0.840 177.048 176.000 0.346 0.000 0.915 117 Q CA -0.156 55.850 55.803 0.338 0.000 0.943 117 Q CB -0.380 28.537 28.738 0.298 0.000 1.064 117 Q HN 0.398 nan 8.270 nan 0.000 0.511 118 M N 2.886 122.493 119.600 0.012 0.000 2.284 118 M HA 0.046 4.526 4.480 0.001 0.000 0.351 118 M C -2.108 174.011 176.300 -0.303 0.000 1.443 118 M CA -1.269 53.710 55.300 -0.535 0.000 1.031 118 M CB 0.525 32.822 32.600 -0.506 0.000 1.893 118 M HN -0.171 nan 8.290 nan 0.000 0.456 119 P HA -0.063 nan 4.420 nan 0.000 0.264 119 P C -0.162 177.084 177.300 -0.090 0.000 1.179 119 P CA 0.068 62.952 63.100 -0.360 0.000 0.763 119 P CB 0.426 31.769 31.700 -0.595 0.000 0.806 120 K N 2.316 122.714 120.400 -0.003 0.000 2.147 120 K HA -0.114 4.207 4.320 0.001 0.000 0.205 120 K C 1.051 177.679 176.600 0.047 0.000 1.049 120 K CA 1.666 57.968 56.287 0.026 0.000 0.936 120 K CB -0.097 32.418 32.500 0.024 0.000 0.722 120 K HN 0.387 nan 8.250 nan 0.000 0.446 121 K N 0.129 120.590 120.400 0.101 0.000 2.374 121 K HA 0.132 4.453 4.320 0.001 0.000 0.202 121 K C 0.248 176.897 176.600 0.082 0.000 1.040 121 K CA -0.451 55.812 56.287 -0.041 0.000 1.085 121 K CB 0.022 32.286 32.500 -0.394 0.000 0.873 121 K HN -0.018 nan 8.250 nan 0.000 0.539 122 L N 3.413 124.811 121.223 0.291 0.000 2.410 122 L HA 0.038 4.379 4.340 0.001 0.000 0.273 122 L C -0.026 177.022 176.870 0.297 0.000 1.144 122 L CA 0.713 55.761 54.840 0.348 0.000 0.863 122 L CB 0.130 42.364 42.059 0.292 0.000 1.140 122 L HN 0.266 nan 8.230 nan 0.000 0.463 123 Q N 3.490 123.444 119.800 0.258 0.000 2.462 123 Q HA 0.420 4.761 4.340 0.001 0.000 0.285 123 Q C -1.183 174.812 176.000 -0.009 0.000 1.035 123 Q CA -1.128 54.691 55.803 0.027 0.000 0.799 123 Q CB 1.520 30.267 28.738 0.016 0.000 1.452 123 Q HN 0.489 nan 8.270 nan 0.000 0.404 124 K N 1.485 121.654 120.400 -0.385 0.000 2.382 124 K HA 0.155 4.476 4.320 0.001 0.000 0.275 124 K C -0.296 176.181 176.600 -0.205 0.000 1.009 124 K CA -0.219 55.871 56.287 -0.328 0.000 0.970 124 K CB 0.738 32.952 32.500 -0.476 0.000 0.934 124 K HN 0.790 nan 8.250 nan 0.000 0.479 125 M N 3.601 123.017 119.600 -0.307 0.000 2.219 125 M HA 0.053 4.534 4.480 0.001 0.000 0.353 125 M C -0.943 175.274 176.300 -0.140 0.000 1.304 125 M CA 0.575 55.582 55.300 -0.488 0.000 1.115 125 M CB 0.689 32.788 32.600 -0.836 0.000 1.664 125 M HN 0.590 nan 8.290 nan 0.000 0.459 126 T N 4.717 119.187 114.554 -0.139 0.000 2.932 126 T HA 0.511 4.861 4.350 0.001 0.000 0.289 126 T C -0.640 173.918 174.700 -0.235 0.000 1.039 126 T CA -0.985 61.029 62.100 -0.145 0.000 1.024 126 T CB 1.225 70.001 68.868 -0.153 0.000 1.090 126 T HN 0.788 nan 8.240 nan 0.000 0.496 127 R N 0.513 120.911 120.500 -0.169 0.000 2.594 127 R HA 0.440 4.781 4.340 0.001 0.000 0.272 127 R C -1.076 175.060 176.300 -0.273 0.000 1.074 127 R CA -0.286 55.740 56.100 -0.122 0.000 1.105 127 R CB 0.094 30.371 30.300 -0.038 0.000 1.008 127 R HN 0.400 nan 8.270 nan 0.000 0.472 128 F N 1.819 121.781 119.950 0.022 0.000 2.375 128 F HA 0.333 4.861 4.527 0.001 0.000 0.317 128 F C -1.181 174.614 175.800 -0.009 0.000 1.124 128 F CA -2.596 55.407 58.000 0.004 0.000 1.050 128 F CB 0.766 39.766 39.000 -0.000 0.000 1.314 128 F HN 0.407 nan 8.300 nan 0.000 0.511 129 P HA -0.158 nan 4.420 nan 0.000 0.216 129 P C 0.744 178.083 177.300 0.066 0.000 1.150 129 P CA 1.521 64.671 63.100 0.085 0.000 0.837 129 P CB 0.117 31.855 31.700 0.064 0.000 0.786 130 N N -1.015 117.731 118.700 0.077 0.000 2.314 130 N HA -0.011 4.730 4.740 0.001 0.000 0.200 130 N C -0.453 175.088 175.510 0.052 0.000 1.135 130 N CA 0.053 53.129 53.050 0.044 0.000 0.835 130 N CB -0.418 38.080 38.487 0.018 0.000 0.989 130 N HN -0.088 nan 8.380 nan 0.000 0.478 131 D N -0.845 119.601 120.400 0.077 0.000 2.313 131 D HA 0.128 4.768 4.640 0.001 0.000 0.247 131 D C -0.489 175.830 176.300 0.030 0.000 1.094 131 D CA 0.128 54.169 54.000 0.068 0.000 0.925 131 D CB 1.417 42.277 40.800 0.099 0.000 1.188 131 D HN -0.094 nan 8.370 nan 0.000 0.430 132 S N 1.316 117.025 115.700 0.014 0.000 2.204 132 S HA 0.278 4.749 4.470 0.001 0.000 0.178 132 S C -0.480 174.103 174.600 -0.027 0.000 1.493 132 S CA -0.603 57.594 58.200 -0.004 0.000 1.266 132 S CB -0.566 62.634 63.200 0.000 0.000 1.232 132 S HN 0.259 nan 8.310 nan 0.000 0.406 133 L N 2.263 123.464 121.223 -0.036 0.000 2.455 133 L HA 0.302 4.643 4.340 0.001 0.000 0.272 133 L C 0.411 177.231 176.870 -0.084 0.000 1.174 133 L CA -0.129 54.665 54.840 -0.077 0.000 0.869 133 L CB 0.303 42.313 42.059 -0.082 0.000 1.130 133 L HN 0.405 nan 8.230 nan 0.000 0.474 134 D N 2.347 122.675 120.400 -0.120 0.000 2.329 134 D HA 0.276 4.917 4.640 0.001 0.000 0.232 134 D C 0.720 176.940 176.300 -0.132 0.000 1.088 134 D CA -0.231 53.703 54.000 -0.108 0.000 0.835 134 D CB 2.079 42.809 40.800 -0.116 0.000 1.078 134 D HN 0.585 nan 8.370 nan 0.000 0.495 135 A N 3.905 126.677 122.820 -0.079 0.000 1.986 135 A HA -0.166 4.154 4.320 0.001 0.000 0.220 135 A C 1.988 179.538 177.584 -0.056 0.000 1.171 135 A CA 2.023 54.027 52.037 -0.056 0.000 0.640 135 A CB -0.444 18.555 19.000 -0.002 0.000 0.811 135 A HN 0.646 nan 8.150 nan 0.000 0.451 136 A N -1.134 121.652 122.820 -0.056 0.000 2.172 136 A HA 0.237 4.558 4.320 0.001 0.000 0.216 136 A C 1.513 179.054 177.584 -0.072 0.000 1.154 136 A CA 1.111 53.134 52.037 -0.023 0.000 0.701 136 A CB -0.335 18.653 19.000 -0.020 0.000 0.789 136 A HN 0.486 nan 8.150 nan 0.000 0.465 137 L N -1.166 119.898 121.223 -0.265 0.000 3.168 137 L HA 0.250 4.590 4.340 0.001 0.000 0.277 137 L C -0.648 175.587 176.870 -1.059 0.000 1.245 137 L CA -0.518 53.916 54.840 -0.677 0.000 1.035 137 L CB 0.481 42.200 42.059 -0.568 0.000 1.399 137 L HN 0.212 nan 8.230 nan 0.000 0.580 138 C N -0.490 118.470 119.300 -0.567 0.000 2.634 138 C HA 0.688 5.148 4.460 0.001 0.000 0.313 138 C C 0.373 175.295 174.990 -0.113 0.000 1.198 138 C CA -0.600 58.074 59.018 -0.575 0.000 1.605 138 C CB 1.215 28.424 27.740 -0.886 0.000 2.196 138 C HN 0.602 nan 8.230 nan 0.000 0.486 139 H N 0.403 119.692 119.070 0.366 0.000 1.452 139 H HA -0.048 4.508 4.556 0.001 0.000 0.090 139 H C 0.168 175.865 175.328 0.616 0.000 2.690 139 H CA 1.383 57.644 56.048 0.355 0.000 1.901 139 H CB -1.636 28.218 29.762 0.153 0.000 2.257 139 H HN 1.941 nan 8.280 nan 0.000 0.961 140 G N -0.569 108.579 108.800 0.580 0.000 2.348 140 G HA2 0.096 4.057 3.960 0.001 0.000 0.606 140 G HA3 0.096 4.057 3.960 0.001 0.000 0.606 140 G C -0.024 175.152 174.900 0.461 0.000 1.466 140 G CA 0.369 45.742 45.100 0.454 0.000 0.950 140 G HN 0.509 nan 8.290 nan 0.000 0.657 141 D N -1.219 119.384 120.400 0.337 0.000 2.117 141 D HA 0.048 4.689 4.640 0.001 0.000 0.198 141 D C 1.665 178.166 176.300 0.336 0.000 0.982 141 D CA 2.438 56.622 54.000 0.306 0.000 0.828 141 D CB 0.281 41.224 40.800 0.238 0.000 0.967 141 D HN 1.113 nan 8.370 nan 0.000 0.464 142 V N -1.536 118.559 119.914 0.301 0.000 2.962 142 V HA 0.682 4.803 4.120 0.001 0.000 0.313 142 V C -1.042 175.103 176.094 0.086 0.000 1.099 142 V CA -1.178 61.257 62.300 0.225 0.000 0.971 142 V CB 2.596 34.506 31.823 0.145 0.000 1.028 142 V HN -0.089 nan 8.190 nan 0.000 0.430 143 L N 3.383 124.521 121.223 -0.142 0.000 2.386 143 L HA 0.755 5.096 4.340 0.001 0.000 0.271 143 L C -1.162 175.582 176.870 -0.211 0.000 0.993 143 L CA -0.445 54.160 54.840 -0.393 0.000 0.819 143 L CB 1.875 43.304 42.059 -1.050 0.000 1.294 143 L HN 0.801 nan 8.230 nan 0.000 0.414 144 L N 4.272 125.406 121.223 -0.149 0.000 2.322 144 L HA 0.545 4.885 4.340 0.001 0.000 0.281 144 L C -0.505 176.257 176.870 -0.181 0.000 1.014 144 L CA -0.499 54.268 54.840 -0.122 0.000 0.815 144 L CB 1.690 43.730 42.059 -0.032 0.000 1.247 144 L HN 0.649 nan 8.230 nan 0.000 0.421 145 Q N 4.704 124.413 119.800 -0.153 0.000 2.372 145 Q HA 0.524 4.865 4.340 0.001 0.000 0.259 145 Q C -1.358 174.552 176.000 -0.150 0.000 0.993 145 Q CA -0.477 55.245 55.803 -0.134 0.000 0.854 145 Q CB 1.342 30.050 28.738 -0.050 0.000 1.231 145 Q HN 0.621 nan 8.270 nan 0.000 0.462 146 I N 4.082 124.549 120.570 -0.172 0.000 2.355 146 I HA 0.410 4.581 4.170 0.001 0.000 0.288 146 I C -0.728 175.294 176.117 -0.159 0.000 0.999 146 I CA -0.783 60.411 61.300 -0.177 0.000 1.163 146 I CB 1.341 39.237 38.000 -0.174 0.000 1.316 146 I HN 0.614 nan 8.210 nan 0.000 0.454 147 C N 5.139 124.366 119.300 -0.123 0.000 2.563 147 C HA 0.994 5.454 4.460 0.001 0.000 0.314 147 C C 0.299 175.261 174.990 -0.047 0.000 1.199 147 C CA -0.336 58.623 59.018 -0.099 0.000 1.564 147 C CB 1.186 28.897 27.740 -0.048 0.000 2.173 147 C HN 0.924 nan 8.230 nan 0.000 0.485 148 A N 2.073 124.881 122.820 -0.021 0.000 2.557 148 A HA 0.600 4.921 4.320 0.001 0.000 0.292 148 A C 0.310 177.909 177.584 0.025 0.000 1.139 148 A CA -0.348 51.686 52.037 -0.005 0.000 0.665 148 A CB 0.502 19.487 19.000 -0.026 0.000 1.285 148 A HN 0.691 nan 8.150 nan 0.000 0.433 149 N N 0.278 118.991 118.700 0.023 0.000 2.223 149 N HA -0.038 4.702 4.740 0.001 0.000 0.185 149 N C 0.691 176.224 175.510 0.038 0.000 1.016 149 N CA 2.004 55.076 53.050 0.037 0.000 0.863 149 N CB -0.207 38.295 38.487 0.026 0.000 0.983 149 N HN 0.947 nan 8.380 nan 0.000 0.429 150 T N -3.631 110.935 114.554 0.020 0.000 2.906 150 T HA 0.255 4.605 4.350 0.001 0.000 0.295 150 T C 0.694 175.401 174.700 0.012 0.000 1.061 150 T CA -0.848 61.263 62.100 0.018 0.000 1.000 150 T CB 2.707 71.579 68.868 0.008 0.000 1.103 150 T HN -0.011 nan 8.240 nan 0.000 0.486 151 Q N 0.604 120.413 119.800 0.015 0.000 2.170 151 Q HA -0.164 4.177 4.340 0.001 0.000 0.203 151 Q C 0.944 176.950 176.000 0.010 0.000 0.976 151 Q CA 2.356 58.166 55.803 0.011 0.000 0.858 151 Q CB -0.355 28.390 28.738 0.013 0.000 0.907 151 Q HN 0.829 nan 8.270 nan 0.000 0.433 152 D N -0.319 120.087 120.400 0.010 0.000 2.123 152 D HA -0.164 4.477 4.640 0.001 0.000 0.196 152 D C 1.705 178.023 176.300 0.030 0.000 0.992 152 D CA 2.003 56.013 54.000 0.018 0.000 0.833 152 D CB -0.364 40.439 40.800 0.005 0.000 0.954 152 D HN 0.247 nan 8.370 nan 0.000 0.455 153 T N -0.100 114.457 114.554 0.005 0.000 2.812 153 T HA -0.068 4.283 4.350 0.001 0.000 0.264 153 T C 2.196 176.911 174.700 0.026 0.000 1.042 153 T CA 0.604 62.703 62.100 -0.001 0.000 1.140 153 T CB -0.316 68.529 68.868 -0.039 0.000 0.870 153 T HN -0.024 nan 8.240 nan 0.000 0.445 154 V N 1.526 121.439 119.914 -0.002 0.000 2.295 154 V HA -0.139 3.982 4.120 0.001 0.000 0.246 154 V C 2.377 178.466 176.094 -0.007 0.000 1.049 154 V CA 1.507 63.793 62.300 -0.024 0.000 1.024 154 V CB -0.624 31.173 31.823 -0.043 0.000 0.648 154 V HN 0.470 nan 8.190 nan 0.000 0.447 155 I N -0.491 120.088 120.570 0.014 0.000 2.226 155 I HA -0.270 3.901 4.170 0.001 0.000 0.245 155 I C 2.588 178.725 176.117 0.032 0.000 1.100 155 I CA 1.858 63.169 61.300 0.018 0.000 1.374 155 I CB -0.679 37.335 38.000 0.024 0.000 1.057 155 I HN 0.451 nan 8.210 nan 0.000 0.413 156 H N 1.673 120.735 119.070 -0.014 0.000 2.352 156 H HA -0.181 4.375 4.556 0.001 0.000 0.299 156 H C 2.185 177.517 175.328 0.006 0.000 1.097 156 H CA 1.933 57.980 56.048 -0.003 0.000 1.311 156 H CB 0.159 29.910 29.762 -0.017 0.000 1.377 156 H HN 0.331 nan 8.280 nan 0.000 0.504 157 A N 1.496 124.308 122.820 -0.012 0.000 1.883 157 A HA -0.156 4.165 4.320 0.001 0.000 0.217 157 A C 2.606 180.147 177.584 -0.072 0.000 1.186 157 A CA 1.537 53.541 52.037 -0.056 0.000 0.624 157 A CB -0.973 17.997 19.000 -0.050 0.000 0.822 157 A HN 0.446 nan 8.150 nan 0.000 0.444 158 L N -0.264 120.933 121.223 -0.044 0.000 2.012 158 L HA -0.147 4.193 4.340 0.001 0.000 0.210 158 L C 2.401 179.280 176.870 0.015 0.000 1.073 158 L CA 2.186 57.032 54.840 0.009 0.000 0.748 158 L CB -0.605 41.459 42.059 0.009 0.000 0.891 158 L HN 0.358 nan 8.230 nan 0.000 0.431 159 R N -0.584 119.892 120.500 -0.040 0.000 2.115 159 R HA -0.152 4.189 4.340 0.001 0.000 0.230 159 R C 2.135 178.411 176.300 -0.040 0.000 1.111 159 R CA 1.237 57.315 56.100 -0.036 0.000 0.976 159 R CB -0.493 29.776 30.300 -0.052 0.000 0.870 159 R HN 0.590 nan 8.270 nan 0.000 0.445 160 D N 0.879 121.215 120.400 -0.105 0.000 2.097 160 D HA -0.166 4.475 4.640 0.001 0.000 0.195 160 D C 1.796 178.190 176.300 0.156 0.000 0.989 160 D CA 1.240 55.244 54.000 0.007 0.000 0.827 160 D CB 0.088 40.844 40.800 -0.073 0.000 0.966 160 D HN 0.168 nan 8.370 nan 0.000 0.456 161 I N 0.813 121.436 120.570 0.089 0.000 2.179 161 I HA -0.261 3.909 4.170 0.001 0.000 0.242 161 I C 2.681 178.844 176.117 0.076 0.000 1.088 161 I CA 0.737 62.097 61.300 0.100 0.000 1.357 161 I CB -0.212 37.854 38.000 0.109 0.000 1.051 161 I HN 0.035 nan 8.210 nan 0.000 0.409 162 I N 0.560 121.179 120.570 0.082 0.000 2.163 162 I HA -0.345 3.825 4.170 0.001 0.000 0.243 162 I C 2.664 178.807 176.117 0.043 0.000 1.085 162 I CA 1.478 62.826 61.300 0.080 0.000 1.347 162 I CB -0.453 37.614 38.000 0.111 0.000 1.044 162 I HN 0.224 nan 8.210 nan 0.000 0.408 163 K N 0.413 120.829 120.400 0.027 0.000 2.103 163 K HA -0.242 4.079 4.320 0.001 0.000 0.207 163 K C 1.826 178.352 176.600 -0.124 0.000 1.048 163 K CA 1.836 58.089 56.287 -0.058 0.000 0.930 163 K CB -0.145 32.293 32.500 -0.102 0.000 0.716 163 K HN 0.428 nan 8.250 nan 0.000 0.444 164 H N -1.255 117.796 119.070 -0.032 0.000 2.551 164 H HA 0.021 4.577 4.556 0.001 0.000 0.266 164 H C 0.589 175.887 175.328 -0.050 0.000 0.977 164 H CA 1.360 57.383 56.048 -0.042 0.000 1.163 164 H CB 0.581 30.315 29.762 -0.046 0.000 1.381 164 H HN 0.278 nan 8.280 nan 0.000 0.581 165 T N -3.263 111.311 114.554 0.035 0.000 3.442 165 T HA 0.138 4.489 4.350 0.001 0.000 0.295 165 T C -1.799 172.896 174.700 -0.010 0.000 1.007 165 T CA -1.002 61.093 62.100 -0.009 0.000 0.962 165 T CB 0.389 69.217 68.868 -0.067 0.000 1.187 165 T HN 0.079 nan 8.240 nan 0.000 0.490 166 P HA -0.055 nan 4.420 nan 0.000 0.225 166 P C 0.634 177.938 177.300 0.007 0.000 1.148 166 P CA 1.139 64.242 63.100 0.005 0.000 0.779 166 P CB 0.079 31.775 31.700 -0.008 0.000 0.780 167 D N -1.339 119.060 120.400 -0.003 0.000 2.369 167 D HA 0.050 4.691 4.640 0.001 0.000 0.211 167 D C 1.513 177.813 176.300 -0.000 0.000 1.077 167 D CA 0.061 54.061 54.000 -0.000 0.000 0.842 167 D CB -0.374 40.421 40.800 -0.008 0.000 0.947 167 D HN 0.251 nan 8.370 nan 0.000 0.509 168 L N -0.918 120.300 121.223 -0.008 0.000 3.017 168 L HA 0.348 4.688 4.340 0.001 0.000 0.265 168 L C 0.242 177.102 176.870 -0.017 0.000 1.128 168 L CA 0.116 54.944 54.840 -0.020 0.000 0.984 168 L CB 0.985 43.013 42.059 -0.051 0.000 1.464 168 L HN -0.128 nan 8.230 nan 0.000 0.556 169 L N -0.844 120.371 121.223 -0.014 0.000 2.409 169 L HA 0.540 4.881 4.340 0.001 0.000 0.262 169 L C -0.722 176.233 176.870 0.143 0.000 0.992 169 L CA -0.369 54.480 54.840 0.016 0.000 0.817 169 L CB 2.441 44.356 42.059 -0.239 0.000 1.350 169 L HN -0.205 nan 8.230 nan 0.000 0.411 170 S N 0.963 116.816 115.700 0.255 0.000 2.594 170 S HA 0.508 4.979 4.470 0.001 0.000 0.296 170 S C -0.675 174.074 174.600 0.248 0.000 1.124 170 S CA -0.498 57.836 58.200 0.224 0.000 1.011 170 S CB 1.579 64.857 63.200 0.131 0.000 1.016 170 S HN 0.260 nan 8.310 nan 0.000 0.485 171 V N 6.681 126.676 119.914 0.135 0.000 2.557 171 V HA 0.116 4.237 4.120 0.001 0.000 0.301 171 V C 1.572 177.579 176.094 -0.145 0.000 1.026 171 V CA 0.618 62.791 62.300 -0.212 0.000 1.137 171 V CB 0.482 32.183 31.823 -0.203 0.000 0.917 171 V HN 0.938 nan 8.190 nan 0.000 0.484 172 R N 4.857 125.208 120.500 -0.248 0.000 2.038 172 R HA 0.166 4.506 4.340 0.001 0.000 0.214 172 R C 0.167 176.483 176.300 0.026 0.000 1.249 172 R CA 0.565 56.623 56.100 -0.070 0.000 1.025 172 R CB 0.502 30.783 30.300 -0.032 0.000 0.911 172 R HN 0.819 nan 8.270 nan 0.000 0.456 173 W N 0.208 121.416 121.300 -0.152 0.000 3.083 173 W HA 0.578 5.239 4.660 0.001 0.000 0.333 173 W C -1.728 174.671 176.519 -0.200 0.000 1.217 173 W CA -1.007 56.251 57.345 -0.144 0.000 1.170 173 W CB 0.814 30.212 29.460 -0.102 0.000 1.437 173 W HN -0.089 nan 8.180 nan 0.000 0.557 174 K N 2.194 122.707 120.400 0.188 0.000 2.542 174 K HA 0.624 4.945 4.320 0.001 0.000 0.259 174 K C -1.940 174.723 176.600 0.105 0.000 0.932 174 K CA -0.736 55.563 56.287 0.020 0.000 0.820 174 K CB 3.062 35.488 32.500 -0.123 0.000 1.345 174 K HN 0.679 nan 8.250 nan 0.000 0.432 175 R N 1.765 122.307 120.500 0.070 0.000 2.584 175 R HA 0.279 4.620 4.340 0.001 0.000 0.276 175 R C -1.508 174.777 176.300 -0.024 0.000 1.046 175 R CA -0.447 55.649 56.100 -0.007 0.000 0.906 175 R CB 1.882 32.127 30.300 -0.093 0.000 1.215 175 R HN 0.661 nan 8.270 nan 0.000 0.449 176 E N 1.142 121.337 120.200 -0.008 0.000 2.191 176 E HA 0.621 4.971 4.350 0.001 0.000 0.274 176 E C -0.531 176.130 176.600 0.100 0.000 0.948 176 E CA -0.930 55.481 56.400 0.017 0.000 0.802 176 E CB 2.159 31.879 29.700 0.033 0.000 1.137 176 E HN 0.712 nan 8.360 nan 0.000 0.397 177 G N 1.352 110.205 108.800 0.087 0.000 2.766 177 G HA2 0.712 4.673 3.960 0.001 0.000 0.288 177 G HA3 0.712 4.673 3.960 0.001 0.000 0.288 177 G C -1.513 173.581 174.900 0.324 0.000 1.408 177 G CA -0.714 44.511 45.100 0.207 0.000 0.852 177 G HN 0.418 nan 8.290 nan 0.000 0.487 178 F N -1.252 118.863 119.950 0.276 0.000 2.668 178 F HA 0.809 5.337 4.527 0.001 0.000 0.309 178 F C -0.806 175.165 175.800 0.285 0.000 1.117 178 F CA -1.628 56.553 58.000 0.302 0.000 0.951 178 F CB 1.084 40.167 39.000 0.139 0.000 1.323 178 F HN 0.689 nan 8.300 nan 0.000 0.451 179 I N -0.348 120.378 120.570 0.261 0.000 3.170 179 I HA 0.801 4.972 4.170 0.001 0.000 0.312 179 I C -0.083 176.135 176.117 0.167 0.000 1.085 179 I CA -1.205 60.097 61.300 0.003 0.000 0.999 179 I CB 2.034 39.909 38.000 -0.208 0.000 1.233 179 I HN 0.829 nan 8.210 nan 0.000 0.467 180 S N 0.611 116.321 115.700 0.016 0.000 2.573 180 S HA 0.079 4.549 4.470 0.001 0.000 0.277 180 S C 0.497 175.039 174.600 -0.097 0.000 1.346 180 S CA -0.212 57.946 58.200 -0.070 0.000 1.034 180 S CB 0.765 63.726 63.200 -0.399 0.000 0.879 180 S HN 0.743 nan 8.310 nan 0.000 0.528 181 D N 1.623 122.011 120.400 -0.020 0.000 2.144 181 D HA -0.140 4.500 4.640 0.001 0.000 0.199 181 D C 1.732 178.052 176.300 0.034 0.000 0.984 181 D CA 2.030 56.049 54.000 0.031 0.000 0.834 181 D CB -0.346 40.499 40.800 0.076 0.000 0.955 181 D HN 0.988 nan 8.370 nan 0.000 0.465 182 H N 0.501 119.595 119.070 0.041 0.000 2.321 182 H HA 0.085 4.642 4.556 0.001 0.000 0.300 182 H C 2.082 177.424 175.328 0.024 0.000 1.087 182 H CA 1.457 57.522 56.048 0.028 0.000 1.319 182 H CB -0.446 29.329 29.762 0.022 0.000 1.379 182 H HN 0.046 nan 8.280 nan 0.000 0.501 183 A N 1.565 124.269 122.820 -0.194 0.000 1.933 183 A HA -0.078 4.242 4.320 0.001 0.000 0.218 183 A C 2.657 180.213 177.584 -0.047 0.000 1.175 183 A CA 1.734 53.712 52.037 -0.098 0.000 0.628 183 A CB -1.272 17.631 19.000 -0.161 0.000 0.814 183 A HN 0.649 nan 8.150 nan 0.000 0.444 184 A N -0.356 122.438 122.820 -0.043 0.000 1.902 184 A HA -0.159 4.161 4.320 0.001 0.000 0.217 184 A C 2.231 179.828 177.584 0.022 0.000 1.181 184 A CA 1.507 53.544 52.037 -0.000 0.000 0.623 184 A CB -0.471 18.547 19.000 0.030 0.000 0.818 184 A HN 0.520 nan 8.150 nan 0.000 0.443 185 R N 0.184 120.706 120.500 0.036 0.000 2.193 185 R HA -0.097 4.244 4.340 0.001 0.000 0.229 185 R C 2.307 178.630 176.300 0.039 0.000 1.110 185 R CA 1.328 57.454 56.100 0.044 0.000 0.988 185 R CB -0.299 30.036 30.300 0.058 0.000 0.871 185 R HN 0.704 nan 8.270 nan 0.000 0.458 186 S N 0.782 116.505 115.700 0.039 0.000 2.595 186 S HA -0.068 4.402 4.470 0.001 0.000 0.235 186 S C 0.458 175.072 174.600 0.023 0.000 0.974 186 S CA 0.352 58.573 58.200 0.034 0.000 0.942 186 S CB -0.133 63.091 63.200 0.040 0.000 0.766 186 S HN 0.211 nan 8.310 nan 0.000 0.536 187 K N 0.591 121.003 120.400 0.020 0.000 3.311 187 K HA -0.181 4.139 4.320 0.001 0.000 0.270 187 K C 0.836 177.442 176.600 0.009 0.000 0.927 187 K CA 0.326 56.622 56.287 0.016 0.000 0.706 187 K CB -2.029 30.482 32.500 0.018 0.000 1.418 187 K HN 0.959 nan 8.250 nan 0.000 0.459 188 G N -0.449 108.354 108.800 0.004 0.000 2.157 188 G HA2 -0.344 3.617 3.960 0.001 0.000 0.248 188 G HA3 -0.344 3.617 3.960 0.001 0.000 0.248 188 G C 0.674 175.579 174.900 0.009 0.000 0.979 188 G CA 0.644 45.745 45.100 0.001 0.000 0.650 188 G HN 0.446 nan 8.290 nan 0.000 0.529 189 K N -0.130 120.279 120.400 0.016 0.000 2.284 189 K HA 0.183 4.504 4.320 0.001 0.000 0.198 189 K C 0.875 177.503 176.600 0.046 0.000 1.048 189 K CA 0.719 57.020 56.287 0.022 0.000 0.987 189 K CB 0.423 32.935 32.500 0.020 0.000 0.800 189 K HN 0.494 nan 8.250 nan 0.000 0.486 190 E N 1.012 121.239 120.200 0.045 0.000 2.234 190 E HA 0.146 4.496 4.350 0.001 0.000 0.266 190 E C -1.318 175.302 176.600 0.033 0.000 0.877 190 E CA -0.503 55.931 56.400 0.057 0.000 0.758 190 E CB 1.617 31.358 29.700 0.067 0.000 1.170 190 E HN -0.115 nan 8.360 nan 0.000 0.415 191 T N 5.187 119.763 114.554 0.036 0.000 2.851 191 T HA 0.231 4.581 4.350 0.001 0.000 0.298 191 T C -2.354 172.326 174.700 -0.033 0.000 0.977 191 T CA -1.059 61.044 62.100 0.005 0.000 1.126 191 T CB 0.764 69.636 68.868 0.006 0.000 0.916 191 T HN 0.345 nan 8.240 nan 0.000 0.529 192 P HA 0.238 nan 4.420 nan 0.000 0.268 192 P C -0.450 176.804 177.300 -0.076 0.000 1.205 192 P CA -0.262 62.776 63.100 -0.103 0.000 0.771 192 P CB 0.366 31.972 31.700 -0.156 0.000 0.858 193 I N 2.738 123.267 120.570 -0.068 0.000 2.353 193 I HA 0.213 4.383 4.170 0.001 0.000 0.293 193 I C 1.041 177.135 176.117 -0.038 0.000 0.992 193 I CA -0.728 60.545 61.300 -0.045 0.000 1.268 193 I CB 0.936 38.922 38.000 -0.023 0.000 1.387 193 I HN 0.404 nan 8.210 nan 0.000 0.478 194 N N 6.454 125.141 118.700 -0.021 0.000 2.364 194 N HA 0.164 4.905 4.740 0.001 0.000 0.264 194 N C 0.329 175.877 175.510 0.065 0.000 1.263 194 N CA -0.399 52.662 53.050 0.019 0.000 0.959 194 N CB 0.547 39.079 38.487 0.076 0.000 1.204 194 N HN 0.566 nan 8.380 nan 0.000 0.550 195 L N -0.846 120.470 121.223 0.156 0.000 2.622 195 L HA 0.112 4.453 4.340 0.001 0.000 0.233 195 L C 1.186 178.133 176.870 0.128 0.000 1.156 195 L CA 0.438 55.380 54.840 0.170 0.000 0.866 195 L CB -0.388 41.766 42.059 0.158 0.000 0.980 195 L HN 0.488 nan 8.230 nan 0.000 0.448 196 L N -0.789 120.414 121.223 -0.033 0.000 2.607 196 L HA 0.251 4.592 4.340 0.001 0.000 0.228 196 L C 1.439 178.484 176.870 0.291 0.000 1.123 196 L CA 0.437 55.159 54.840 -0.196 0.000 0.890 196 L CB -0.119 41.392 42.059 -0.913 0.000 1.103 196 L HN 0.400 nan 8.230 nan 0.000 0.468 197 G N -0.051 108.844 108.800 0.157 0.000 2.143 197 G HA2 -0.293 3.667 3.960 0.001 0.000 0.249 197 G HA3 -0.293 3.667 3.960 0.001 0.000 0.249 197 G C -0.059 174.777 174.900 -0.108 0.000 0.981 197 G CA -0.281 44.865 45.100 0.077 0.000 0.665 197 G HN 0.174 nan 8.290 nan 0.000 0.528 198 F N 0.601 120.395 119.950 -0.261 0.000 2.492 198 F HA 0.634 5.162 4.527 0.001 0.000 0.327 198 F C 0.890 176.512 175.800 -0.297 0.000 1.079 198 F CA -0.991 56.764 58.000 -0.408 0.000 0.967 198 F CB 1.346 39.755 39.000 -0.984 0.000 1.169 198 F HN -0.111 nan 8.300 nan 0.000 0.472 199 K N 1.045 121.391 120.400 -0.090 0.000 2.382 199 K HA 0.150 4.471 4.320 0.001 0.000 0.275 199 K C -1.111 175.471 176.600 -0.030 0.000 1.009 199 K CA 0.104 56.354 56.287 -0.063 0.000 0.970 199 K CB 0.312 32.769 32.500 -0.072 0.000 0.934 199 K HN 0.456 nan 8.250 nan 0.000 0.479 200 D N 0.670 121.060 120.400 -0.016 0.000 2.425 200 D HA 0.343 4.984 4.640 0.001 0.000 0.240 200 D C 0.170 176.488 176.300 0.030 0.000 1.080 200 D CA 0.323 54.335 54.000 0.020 0.000 0.836 200 D CB 1.175 41.975 40.800 0.001 0.000 1.125 200 D HN 0.604 nan 8.370 nan 0.000 0.525 201 G N 2.535 111.382 108.800 0.078 0.000 2.137 201 G HA2 -0.323 3.637 3.960 0.001 0.000 0.237 201 G HA3 -0.323 3.637 3.960 0.001 0.000 0.237 201 G C 1.251 176.198 174.900 0.078 0.000 1.002 201 G CA 0.491 45.638 45.100 0.078 0.000 0.702 201 G HN 0.551 nan 8.290 nan 0.000 0.515 202 T N 0.276 114.871 114.554 0.068 0.000 2.699 202 T HA -0.001 4.350 4.350 0.001 0.000 0.268 202 T C 2.406 177.196 174.700 0.150 0.000 1.036 202 T CA 2.318 64.448 62.100 0.050 0.000 1.147 202 T CB -0.141 68.692 68.868 -0.059 0.000 0.862 202 T HN 1.396 nan 8.240 nan 0.000 0.446 203 A N 1.259 124.155 122.820 0.126 0.000 2.411 203 A HA 0.244 4.565 4.320 0.001 0.000 0.251 203 A C 0.575 178.223 177.584 0.107 0.000 1.317 203 A CA -0.464 51.653 52.037 0.133 0.000 0.904 203 A CB -0.314 18.753 19.000 0.111 0.000 0.993 203 A HN 0.232 nan 8.150 nan 0.000 0.504 204 N N 2.558 121.318 118.700 0.100 0.000 2.458 204 N HA 0.172 4.913 4.740 0.001 0.000 0.258 204 N C -2.287 173.250 175.510 0.044 0.000 1.219 204 N CA -0.936 52.152 53.050 0.064 0.000 0.902 204 N CB 0.497 39.012 38.487 0.046 0.000 1.076 204 N HN 0.303 nan 8.380 nan 0.000 0.455 205 P HA -0.006 nan 4.420 nan 0.000 0.269 205 P C -0.496 176.799 177.300 -0.008 0.000 1.217 205 P CA -0.231 62.874 63.100 0.008 0.000 0.783 205 P CB 0.514 32.215 31.700 0.000 0.000 0.898 206 D N 0.814 121.204 120.400 -0.015 0.000 2.348 206 D HA 0.012 4.653 4.640 0.001 0.000 0.259 206 D C 1.157 177.442 176.300 -0.025 0.000 1.296 206 D CA 0.034 54.021 54.000 -0.023 0.000 0.931 206 D CB 0.161 40.946 40.800 -0.026 0.000 1.067 206 D HN 0.194 nan 8.370 nan 0.000 0.503 207 S N 2.674 118.356 115.700 -0.029 0.000 2.515 207 S HA -0.163 4.308 4.470 0.001 0.000 0.231 207 S C 1.464 176.059 174.600 -0.010 0.000 0.987 207 S CA 0.538 58.715 58.200 -0.038 0.000 0.936 207 S CB -0.103 63.069 63.200 -0.047 0.000 0.766 207 S HN 0.605 nan 8.310 nan 0.000 0.528 208 Q N 1.061 120.860 119.800 -0.003 0.000 2.398 208 Q HA 0.173 4.513 4.340 0.001 0.000 0.204 208 Q C 0.376 176.386 176.000 0.017 0.000 0.932 208 Q CA -0.036 55.774 55.803 0.012 0.000 0.916 208 Q CB -0.074 28.667 28.738 0.005 0.000 1.024 208 Q HN 0.444 nan 8.270 nan 0.000 0.504 209 N N 2.287 120.991 118.700 0.008 0.000 2.454 209 N HA -0.077 4.664 4.740 0.001 0.000 0.285 209 N C -0.275 175.255 175.510 0.032 0.000 1.233 209 N CA 0.338 53.396 53.050 0.013 0.000 1.036 209 N CB 0.320 38.808 38.487 0.002 0.000 1.423 209 N HN 0.210 nan 8.380 nan 0.000 0.495 210 D N 2.224 122.655 120.400 0.050 0.000 2.600 210 D HA -0.345 4.295 4.640 0.001 0.000 0.194 210 D C 1.319 177.669 176.300 0.084 0.000 1.040 210 D CA 1.851 55.898 54.000 0.078 0.000 0.871 210 D CB -0.045 40.792 40.800 0.061 0.000 0.973 210 D HN 0.459 nan 8.370 nan 0.000 0.470 211 K N -0.727 119.706 120.400 0.054 0.000 2.103 211 K HA -0.038 4.282 4.320 0.001 0.000 0.204 211 K C 2.162 178.785 176.600 0.039 0.000 1.052 211 K CA 0.489 56.805 56.287 0.048 0.000 0.945 211 K CB -0.161 32.356 32.500 0.030 0.000 0.722 211 K HN 0.168 nan 8.250 nan 0.000 0.443 212 L N 1.197 122.433 121.223 0.023 0.000 2.017 212 L HA -0.168 4.173 4.340 0.001 0.000 0.208 212 L C 2.102 178.966 176.870 -0.010 0.000 1.073 212 L CA 1.628 56.470 54.840 0.004 0.000 0.745 212 L CB -0.358 41.699 42.059 -0.004 0.000 0.894 212 L HN 0.193 nan 8.230 nan 0.000 0.432 213 M N -0.970 118.622 119.600 -0.014 0.000 2.202 213 M HA -0.229 4.252 4.480 0.001 0.000 0.262 213 M C 2.206 178.492 176.300 -0.024 0.000 1.063 213 M CA 1.496 56.735 55.300 -0.101 0.000 1.097 213 M CB -1.258 31.278 32.600 -0.106 0.000 1.382 213 M HN 0.454 nan 8.290 nan 0.000 0.413 214 Q N -0.009 119.878 119.800 0.144 0.000 2.167 214 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 214 Q C 1.960 178.011 176.000 0.085 0.000 0.970 214 Q CA 1.257 57.191 55.803 0.217 0.000 0.855 214 Q CB -0.029 28.808 28.738 0.165 0.000 0.911 214 Q HN 0.574 nan 8.270 nan 0.000 0.438 215 K N -0.395 120.005 120.400 0.001 0.000 2.067 215 K HA -0.018 4.303 4.320 0.001 0.000 0.203 215 K C 2.056 178.567 176.600 -0.149 0.000 1.048 215 K CA 0.935 57.163 56.287 -0.098 0.000 0.954 215 K CB 0.130 32.587 32.500 -0.072 0.000 0.737 215 K HN -0.058 nan 8.250 nan 0.000 0.444 216 V N 0.542 120.432 119.914 -0.040 0.000 2.379 216 V HA -0.123 3.997 4.120 0.001 0.000 0.243 216 V C 2.042 178.199 176.094 0.105 0.000 1.035 216 V CA 1.253 63.589 62.300 0.061 0.000 1.035 216 V CB 0.116 31.944 31.823 0.008 0.000 0.673 216 V HN 0.051 nan 8.190 nan 0.000 0.457 217 V N -2.541 117.296 119.914 -0.127 0.000 2.581 217 V HA 0.077 4.198 4.120 0.001 0.000 0.240 217 V C 0.698 176.670 176.094 -0.203 0.000 1.054 217 V CA 0.230 62.338 62.300 -0.321 0.000 1.076 217 V CB -0.056 31.260 31.823 -0.844 0.000 0.748 217 V HN 0.524 nan 8.190 nan 0.000 0.474 218 W N -0.123 121.209 121.300 0.052 0.000 2.316 218 W HA 0.499 5.160 4.660 0.001 0.000 0.321 218 W C -0.235 176.378 176.519 0.156 0.000 1.203 218 W CA -0.883 56.493 57.345 0.052 0.000 1.214 218 W CB 0.761 30.213 29.460 -0.014 0.000 1.169 218 W HN -0.179 nan 8.180 nan 0.000 0.561 219 V N 3.426 123.618 119.914 0.464 0.000 2.521 219 V HA 0.164 4.284 4.120 0.001 0.000 0.286 219 V C 0.608 176.859 176.094 0.262 0.000 1.034 219 V CA -0.200 62.313 62.300 0.355 0.000 1.045 219 V CB -0.028 31.994 31.823 0.331 0.000 0.974 219 V HN 0.648 nan 8.190 nan 0.000 0.480 220 T N 1.997 116.667 114.554 0.192 0.000 2.940 220 T HA 0.659 5.010 4.350 0.001 0.000 0.288 220 T C 1.195 175.944 174.700 0.081 0.000 1.045 220 T CA -0.125 62.049 62.100 0.123 0.000 1.018 220 T CB 1.887 70.816 68.868 0.100 0.000 1.151 220 T HN 0.617 nan 8.240 nan 0.000 0.529 221 A N 1.070 123.922 122.820 0.054 0.000 1.978 221 A HA -0.123 4.197 4.320 0.001 0.000 0.220 221 A C 1.927 179.533 177.584 0.036 0.000 1.170 221 A CA 1.823 53.882 52.037 0.036 0.000 0.636 221 A CB -1.091 17.925 19.000 0.026 0.000 0.810 221 A HN 0.972 nan 8.150 nan 0.000 0.448 222 D N -0.161 120.263 120.400 0.039 0.000 2.378 222 D HA -0.102 4.538 4.640 0.001 0.000 0.222 222 D C 0.588 176.915 176.300 0.045 0.000 0.980 222 D CA 0.347 54.368 54.000 0.035 0.000 0.907 222 D CB -0.309 40.507 40.800 0.027 0.000 0.899 222 D HN 0.621 nan 8.370 nan 0.000 0.527 223 Q N 0.167 120.005 119.800 0.063 0.000 2.260 223 Q HA 0.214 4.555 4.340 0.001 0.000 0.238 223 Q C 0.417 176.449 176.000 0.053 0.000 0.948 223 Q CA -0.430 55.422 55.803 0.081 0.000 0.895 223 Q CB 1.234 30.053 28.738 0.136 0.000 1.218 223 Q HN 0.078 nan 8.270 nan 0.000 0.470 224 Q N 0.910 120.738 119.800 0.048 0.000 2.307 224 Q HA -0.007 4.334 4.340 0.001 0.000 0.216 224 Q C -0.528 175.478 176.000 0.010 0.000 0.931 224 Q CA 0.298 56.117 55.803 0.028 0.000 0.953 224 Q CB 0.369 29.122 28.738 0.026 0.000 1.006 224 Q HN 0.383 nan 8.270 nan 0.000 0.472 225 E N 1.548 121.745 120.200 -0.004 0.000 2.319 225 E HA 0.245 4.596 4.350 0.001 0.000 0.268 225 E C -2.191 174.353 176.600 -0.093 0.000 1.050 225 E CA -2.058 54.301 56.400 -0.067 0.000 0.878 225 E CB 0.472 30.110 29.700 -0.104 0.000 1.066 225 E HN 0.103 nan 8.360 nan 0.000 0.406 226 P HA -0.036 nan 4.420 nan 0.000 0.266 226 P C 0.143 177.348 177.300 -0.158 0.000 1.195 226 P CA 0.207 63.260 63.100 -0.079 0.000 0.768 226 P CB 0.577 32.277 31.700 -0.000 0.000 0.838 227 A N 4.514 127.333 122.820 -0.002 0.000 1.972 227 A HA -0.152 4.169 4.320 0.001 0.000 0.219 227 A C 1.956 179.561 177.584 0.035 0.000 1.169 227 A CA 1.238 53.284 52.037 0.015 0.000 0.635 227 A CB -1.502 17.538 19.000 0.067 0.000 0.810 227 A HN 0.857 nan 8.150 nan 0.000 0.446 228 W N 1.245 122.567 121.300 0.038 0.000 2.387 228 W HA -0.174 4.487 4.660 0.001 0.000 0.272 228 W C 1.307 177.885 176.519 0.098 0.000 1.224 228 W CA 1.765 59.146 57.345 0.061 0.000 1.210 228 W CB -1.490 28.017 29.460 0.078 0.000 1.125 228 W HN 0.474 nan 8.180 nan 0.000 0.572 229 T N -0.706 113.418 114.554 -0.717 0.000 3.088 229 T HA 0.109 4.460 4.350 0.001 0.000 0.259 229 T C 0.985 175.657 174.700 -0.047 0.000 1.122 229 T CA -0.010 61.676 62.100 -0.689 0.000 1.095 229 T CB -0.565 67.639 68.868 -1.107 0.000 0.930 229 T HN 0.054 nan 8.240 nan 0.000 0.508 230 I N 2.220 122.773 120.570 -0.029 0.000 2.598 230 I HA 0.375 4.546 4.170 0.001 0.000 0.284 230 I C 1.655 177.813 176.117 0.068 0.000 1.140 230 I CA 1.120 62.449 61.300 0.049 0.000 1.420 230 I CB 0.287 38.300 38.000 0.021 0.000 1.387 230 I HN 0.502 nan 8.210 nan 0.000 0.553 231 G N 3.958 112.830 108.800 0.120 0.000 2.217 231 G HA2 -0.187 3.774 3.960 0.001 0.000 0.246 231 G HA3 -0.187 3.774 3.960 0.001 0.000 0.246 231 G C 0.514 175.534 174.900 0.199 0.000 0.990 231 G CA -0.127 45.007 45.100 0.057 0.000 0.627 231 G HN 0.982 nan 8.290 nan 0.000 0.522 232 G N -0.742 108.203 108.800 0.242 0.000 2.525 232 G HA2 0.707 4.667 3.960 0.001 0.000 0.287 232 G HA3 0.707 4.667 3.960 0.001 0.000 0.287 232 G C -0.126 174.820 174.900 0.076 0.000 1.350 232 G CA 0.697 45.863 45.100 0.111 0.000 1.039 232 G HN 1.381 nan 8.290 nan 0.000 0.513 233 S N -2.335 113.069 115.700 -0.493 0.000 2.537 233 S HA 0.507 4.978 4.470 0.001 0.000 0.271 233 S C -1.710 172.635 174.600 -0.426 0.000 1.148 233 S CA -0.669 57.413 58.200 -0.196 0.000 0.868 233 S CB 0.839 64.062 63.200 0.038 0.000 1.115 233 S HN 0.391 nan 8.310 nan 0.000 0.461 234 Y N 2.514 122.820 120.300 0.010 0.000 2.319 234 Y HA 0.418 4.969 4.550 0.001 0.000 0.328 234 Y C 0.780 176.721 175.900 0.069 0.000 1.133 234 Y CA 0.311 58.489 58.100 0.131 0.000 1.265 234 Y CB 0.891 39.456 38.460 0.176 0.000 1.218 234 Y HN 0.586 nan 8.280 nan 0.000 0.508 235 Q N 2.830 122.776 119.800 0.244 0.000 2.310 235 Q HA 0.731 5.072 4.340 0.001 0.000 0.270 235 Q C -1.720 174.365 176.000 0.142 0.000 1.025 235 Q CA -0.936 54.881 55.803 0.024 0.000 0.772 235 Q CB 1.428 30.195 28.738 0.049 0.000 1.253 235 Q HN 0.798 nan 8.270 nan 0.000 0.450 236 A N 3.664 126.465 122.820 -0.032 0.000 2.304 236 A HA 0.679 5.000 4.320 0.001 0.000 0.323 236 A C -1.015 176.566 177.584 -0.005 0.000 1.195 236 A CA -0.495 51.556 52.037 0.025 0.000 0.826 236 A CB 1.387 20.163 19.000 -0.373 0.000 1.184 236 A HN 0.509 nan 8.150 nan 0.000 0.496 237 V N 3.901 123.926 119.914 0.186 0.000 2.487 237 V HA 0.605 4.726 4.120 0.001 0.000 0.298 237 V C -0.422 175.778 176.094 0.175 0.000 1.028 237 V CA -0.730 61.690 62.300 0.200 0.000 0.860 237 V CB 1.610 33.631 31.823 0.330 0.000 0.991 237 V HN 0.897 nan 8.190 nan 0.000 0.427 238 R N 4.289 124.914 120.500 0.209 0.000 2.514 238 R HA 0.492 4.833 4.340 0.001 0.000 0.296 238 R C -1.741 174.613 176.300 0.091 0.000 1.012 238 R CA -0.854 55.316 56.100 0.118 0.000 0.897 238 R CB 2.140 32.492 30.300 0.087 0.000 1.184 238 R HN 0.426 nan 8.270 nan 0.000 0.440 239 L N 4.992 126.190 121.223 -0.041 0.000 2.261 239 L HA 0.460 4.801 4.340 0.001 0.000 0.289 239 L C 0.078 176.943 176.870 -0.008 0.000 1.059 239 L CA 0.067 54.858 54.840 -0.082 0.000 0.816 239 L CB 0.449 42.337 42.059 -0.286 0.000 1.191 239 L HN 0.476 nan 8.230 nan 0.000 0.431 240 I N 3.174 123.795 120.570 0.084 0.000 2.410 240 I HA 0.307 4.477 4.170 0.001 0.000 0.286 240 I C 0.069 176.204 176.117 0.029 0.000 1.009 240 I CA -0.562 60.784 61.300 0.077 0.000 1.111 240 I CB 1.647 39.715 38.000 0.113 0.000 1.262 240 I HN 0.544 nan 8.210 nan 0.000 0.443 241 Q N 4.547 124.392 119.800 0.075 0.000 2.293 241 Q HA 0.433 4.773 4.340 0.001 0.000 0.251 241 Q C -1.381 174.700 176.000 0.136 0.000 0.930 241 Q CA -0.334 55.494 55.803 0.042 0.000 0.893 241 Q CB 1.113 29.914 28.738 0.105 0.000 1.215 241 Q HN 0.361 nan 8.270 nan 0.000 0.425 242 F N 1.513 121.432 119.950 -0.052 0.000 2.450 242 F HA 0.418 4.946 4.527 0.001 0.000 0.332 242 F C 0.236 176.055 175.800 0.032 0.000 1.093 242 F CA -1.025 56.941 58.000 -0.057 0.000 1.003 242 F CB 1.343 40.253 39.000 -0.149 0.000 1.151 242 F HN 0.431 nan 8.300 nan 0.000 0.474 243 R N 2.183 122.871 120.500 0.313 0.000 2.891 243 R HA 0.237 4.578 4.340 0.001 0.000 0.248 243 R C 1.064 177.594 176.300 0.382 0.000 1.439 243 R CA -0.108 56.192 56.100 0.333 0.000 1.288 243 R CB 0.269 30.811 30.300 0.403 0.000 1.212 243 R HN 0.633 nan 8.270 nan 0.000 0.605 244 V N -0.700 119.396 119.914 0.304 0.000 2.427 244 V HA -0.202 3.918 4.120 0.001 0.000 0.248 244 V C 1.441 177.733 176.094 0.330 0.000 1.051 244 V CA 1.346 63.828 62.300 0.304 0.000 1.048 244 V CB -0.157 31.805 31.823 0.231 0.000 0.666 244 V HN 0.389 nan 8.190 nan 0.000 0.456 245 E N 0.749 121.122 120.200 0.288 0.000 2.051 245 E HA -0.108 4.243 4.350 0.001 0.000 0.192 245 E C 1.869 178.679 176.600 0.351 0.000 0.991 245 E CA 1.700 58.256 56.400 0.260 0.000 0.799 245 E CB -0.581 29.238 29.700 0.198 0.000 0.748 245 E HN 0.640 nan 8.360 nan 0.000 0.449 246 F N 0.777 120.864 119.950 0.228 0.000 2.102 246 F HA -0.198 4.329 4.527 0.001 0.000 0.298 246 F C 1.970 178.010 175.800 0.400 0.000 1.105 246 F CA 1.267 59.429 58.000 0.270 0.000 1.239 246 F CB -0.726 38.416 39.000 0.237 0.000 0.991 246 F HN 0.198 nan 8.300 nan 0.000 0.474 247 W N 1.625 122.999 121.300 0.124 0.000 2.317 247 W HA -0.291 4.370 4.660 0.001 0.000 0.318 247 W C 1.670 178.134 176.519 -0.091 0.000 1.227 247 W CA 2.102 59.339 57.345 -0.179 0.000 1.269 247 W CB -0.588 28.773 29.460 -0.165 0.000 1.155 247 W HN 0.035 nan 8.180 nan 0.000 0.484 248 D N -0.240 120.240 120.400 0.132 0.000 2.309 248 D HA -0.109 4.532 4.640 0.001 0.000 0.212 248 D C 1.841 178.126 176.300 -0.026 0.000 0.968 248 D CA 1.126 55.139 54.000 0.021 0.000 0.882 248 D CB -0.292 40.586 40.800 0.129 0.000 0.918 248 D HN 0.285 nan 8.370 nan 0.000 0.503 249 R N -0.372 120.152 120.500 0.040 0.000 2.388 249 R HA 0.158 4.498 4.340 0.001 0.000 0.247 249 R C 0.037 176.346 176.300 0.015 0.000 0.931 249 R CA 0.081 56.216 56.100 0.059 0.000 1.082 249 R CB 0.595 30.991 30.300 0.161 0.000 1.135 249 R HN -0.059 nan 8.270 nan 0.000 0.525 250 T N 2.628 117.095 114.554 -0.145 0.000 2.837 250 T HA 0.278 4.629 4.350 0.001 0.000 0.285 250 T C -2.406 172.118 174.700 -0.294 0.000 0.984 250 T CA -1.619 60.340 62.100 -0.236 0.000 1.049 250 T CB 1.834 70.404 68.868 -0.496 0.000 0.947 250 T HN -0.129 nan 8.240 nan 0.000 0.472 251 P HA 0.017 nan 4.420 nan 0.000 0.265 251 P C 0.943 178.110 177.300 -0.222 0.000 1.187 251 P CA -0.349 62.654 63.100 -0.161 0.000 0.766 251 P CB 0.431 32.072 31.700 -0.097 0.000 0.820 252 L N 4.726 125.845 121.223 -0.173 0.000 2.043 252 L HA -0.225 4.115 4.340 0.001 0.000 0.212 252 L C 2.143 178.958 176.870 -0.092 0.000 1.075 252 L CA 1.998 56.750 54.840 -0.146 0.000 0.752 252 L CB -0.878 41.120 42.059 -0.101 0.000 0.891 252 L HN 0.334 nan 8.230 nan 0.000 0.432 253 K N -0.480 119.876 120.400 -0.073 0.000 2.044 253 K HA -0.295 4.026 4.320 0.001 0.000 0.210 253 K C 2.191 178.763 176.600 -0.046 0.000 1.049 253 K CA 2.100 58.363 56.287 -0.040 0.000 0.927 253 K CB -0.266 32.214 32.500 -0.034 0.000 0.713 253 K HN 0.594 nan 8.250 nan 0.000 0.443 254 E N 0.251 120.394 120.200 -0.095 0.000 2.072 254 E HA -0.222 4.129 4.350 0.001 0.000 0.191 254 E C 2.086 178.586 176.600 -0.167 0.000 0.985 254 E CA 1.173 57.506 56.400 -0.111 0.000 0.801 254 E CB 0.085 29.713 29.700 -0.120 0.000 0.750 254 E HN 0.372 nan 8.360 nan 0.000 0.452 255 Q N 0.109 119.727 119.800 -0.305 0.000 2.045 255 Q HA -0.266 4.075 4.340 0.001 0.000 0.206 255 Q C 2.336 178.411 176.000 0.124 0.000 0.991 255 Q CA 2.118 57.740 55.803 -0.300 0.000 0.851 255 Q CB -0.159 28.335 28.738 -0.408 0.000 0.911 255 Q HN 0.453 nan 8.270 nan 0.000 0.418 256 Q N -0.601 119.323 119.800 0.207 0.000 2.167 256 Q HA -0.104 4.236 4.340 0.001 0.000 0.202 256 Q C 2.030 178.125 176.000 0.159 0.000 0.970 256 Q CA 1.517 57.495 55.803 0.292 0.000 0.855 256 Q CB 0.009 28.879 28.738 0.219 0.000 0.911 256 Q HN 0.357 nan 8.270 nan 0.000 0.438 257 T N 1.187 115.782 114.554 0.068 0.000 2.821 257 T HA -0.064 4.287 4.350 0.001 0.000 0.267 257 T C 1.857 176.563 174.700 0.010 0.000 1.046 257 T CA 0.767 62.890 62.100 0.037 0.000 1.139 257 T CB -0.077 68.796 68.868 0.009 0.000 0.871 257 T HN 0.188 nan 8.240 nan 0.000 0.454 258 I N -0.073 120.482 120.570 -0.025 0.000 2.202 258 I HA -0.101 4.070 4.170 0.001 0.000 0.242 258 I C 1.847 177.829 176.117 -0.225 0.000 1.091 258 I CA 1.451 62.674 61.300 -0.128 0.000 1.368 258 I CB -0.230 37.679 38.000 -0.152 0.000 1.058 258 I HN 0.164 nan 8.210 nan 0.000 0.410 259 F N 0.471 120.311 119.950 -0.183 0.000 2.416 259 F HA 0.123 4.651 4.527 0.001 0.000 0.296 259 F C 1.970 177.767 175.800 -0.005 0.000 1.099 259 F CA 1.032 58.916 58.000 -0.194 0.000 1.427 259 F CB -0.292 38.389 39.000 -0.533 0.000 1.079 259 F HN 0.201 nan 8.300 nan 0.000 0.536 260 G N 0.825 109.736 108.800 0.185 0.000 2.143 260 G HA2 -0.293 3.668 3.960 0.001 0.000 0.249 260 G HA3 -0.293 3.668 3.960 0.001 0.000 0.249 260 G C 0.333 175.354 174.900 0.201 0.000 0.981 260 G CA -0.042 45.160 45.100 0.169 0.000 0.665 260 G HN 0.374 nan 8.290 nan 0.000 0.528 261 R N -0.214 120.448 120.500 0.271 0.000 2.795 261 R HA 0.407 4.747 4.340 0.001 0.000 0.275 261 R C -0.984 175.470 176.300 0.258 0.000 0.981 261 R CA -0.925 55.326 56.100 0.251 0.000 0.917 261 R CB 1.318 31.785 30.300 0.279 0.000 1.202 261 R HN 0.209 nan 8.270 nan 0.000 0.469 262 D N 1.870 122.339 120.400 0.114 0.000 2.417 262 D HA -0.034 4.607 4.640 0.001 0.000 0.250 262 D C 0.496 176.738 176.300 -0.097 0.000 1.166 262 D CA 0.395 54.410 54.000 0.026 0.000 0.881 262 D CB 1.229 42.015 40.800 -0.023 0.000 1.164 262 D HN 0.434 nan 8.370 nan 0.000 0.467 263 K N 2.964 123.209 120.400 -0.258 0.000 2.026 263 K HA -0.196 4.125 4.320 0.001 0.000 0.208 263 K C 2.007 178.303 176.600 -0.507 0.000 1.048 263 K CA 1.357 57.181 56.287 -0.772 0.000 0.929 263 K CB 0.188 32.217 32.500 -0.785 0.000 0.713 263 K HN 0.531 nan 8.250 nan 0.000 0.439 264 Q N -0.590 119.038 119.800 -0.287 0.000 2.050 264 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 264 Q C 2.097 178.006 176.000 -0.152 0.000 0.980 264 Q CA 2.044 57.731 55.803 -0.194 0.000 0.840 264 Q CB -0.215 28.445 28.738 -0.131 0.000 0.898 264 Q HN 0.531 nan 8.270 nan 0.000 0.424 265 T N -3.808 110.669 114.554 -0.129 0.000 3.044 265 T HA 0.282 4.633 4.350 0.001 0.000 0.255 265 T C 1.500 176.142 174.700 -0.097 0.000 1.073 265 T CA 0.676 62.720 62.100 -0.093 0.000 1.125 265 T CB 0.468 69.294 68.868 -0.071 0.000 0.908 265 T HN 0.483 nan 8.240 nan 0.000 0.480 266 G N 1.677 110.412 108.800 -0.107 0.000 2.184 266 G HA2 -0.086 3.875 3.960 0.001 0.000 0.264 266 G HA3 -0.086 3.875 3.960 0.001 0.000 0.264 266 G C 0.324 175.203 174.900 -0.035 0.000 0.975 266 G CA 0.049 45.106 45.100 -0.071 0.000 0.642 266 G HN 1.227 nan 8.290 nan 0.000 0.536 267 A N 0.859 123.659 122.820 -0.034 0.000 2.425 267 A HA 0.653 4.974 4.320 0.001 0.000 0.249 267 A C -1.319 176.281 177.584 0.026 0.000 1.084 267 A CA -0.619 51.410 52.037 -0.013 0.000 0.781 267 A CB 0.307 19.285 19.000 -0.036 0.000 1.019 267 A HN 0.206 nan 8.150 nan 0.000 0.490 268 P HA 0.143 nan 4.420 nan 0.000 0.268 268 P C -0.427 176.904 177.300 0.052 0.000 1.208 268 P CA -0.001 63.140 63.100 0.068 0.000 0.777 268 P CB 0.294 32.027 31.700 0.055 0.000 0.875 269 L N 1.739 123.008 121.223 0.075 0.000 2.485 269 L HA 0.226 4.566 4.340 0.001 0.000 0.275 269 L C 1.706 178.596 176.870 0.034 0.000 1.207 269 L CA 0.852 55.726 54.840 0.057 0.000 0.855 269 L CB -0.739 41.365 42.059 0.075 0.000 1.114 269 L HN 0.803 nan 8.230 nan 0.000 0.485 270 G N 2.773 111.581 108.800 0.015 0.000 2.143 270 G HA2 -0.257 3.703 3.960 0.001 0.000 0.248 270 G HA3 -0.257 3.703 3.960 0.001 0.000 0.248 270 G C -0.089 174.802 174.900 -0.015 0.000 0.991 270 G CA 0.276 45.376 45.100 0.001 0.000 0.689 270 G HN 0.476 nan 8.290 nan 0.000 0.522 271 M N -1.703 117.882 119.600 -0.024 0.000 2.719 271 M HA 0.489 4.970 4.480 0.001 0.000 0.291 271 M C 0.663 176.903 176.300 -0.100 0.000 1.264 271 M CA -1.017 54.255 55.300 -0.046 0.000 0.811 271 M CB 1.533 34.120 32.600 -0.021 0.000 1.756 271 M HN -0.110 nan 8.290 nan 0.000 0.464 272 Q N -0.193 119.491 119.800 -0.194 0.000 2.390 272 Q HA 0.194 4.535 4.340 0.001 0.000 0.216 272 Q C -0.248 175.466 176.000 -0.478 0.000 0.916 272 Q CA 1.198 56.754 55.803 -0.411 0.000 0.911 272 Q CB 0.429 28.759 28.738 -0.680 0.000 1.035 272 Q HN 0.654 nan 8.270 nan 0.000 0.541 273 H N -0.458 118.613 119.070 0.002 0.000 2.524 273 H HA 0.200 4.756 4.556 0.001 0.000 0.353 273 H C 0.715 176.033 175.328 -0.017 0.000 1.136 273 H CA -0.464 55.589 56.048 0.008 0.000 1.193 273 H CB 1.881 31.666 29.762 0.037 0.000 1.558 273 H HN -0.020 nan 8.280 nan 0.000 0.515 274 E N 1.238 121.470 120.200 0.054 0.000 2.068 274 E HA -0.284 4.067 4.350 0.001 0.000 0.207 274 E C 0.265 176.749 176.600 -0.193 0.000 1.032 274 E CA 1.778 58.092 56.400 -0.143 0.000 0.839 274 E CB 0.015 29.529 29.700 -0.310 0.000 0.758 274 E HN 0.739 nan 8.360 nan 0.000 0.457 275 H N 0.288 119.403 119.070 0.075 0.000 2.538 275 H HA 0.172 4.729 4.556 0.001 0.000 0.286 275 H C -0.463 174.896 175.328 0.053 0.000 1.035 275 H CA -0.172 55.907 56.048 0.052 0.000 1.169 275 H CB 0.011 29.790 29.762 0.029 0.000 1.417 275 H HN 0.032 nan 8.280 nan 0.000 0.567 276 D N 0.997 121.485 120.400 0.148 0.000 2.472 276 D HA 0.014 4.654 4.640 0.001 0.000 0.237 276 D C -0.034 176.299 176.300 0.056 0.000 1.141 276 D CA 0.257 54.323 54.000 0.110 0.000 0.875 276 D CB 1.382 42.248 40.800 0.111 0.000 1.192 276 D HN -0.007 nan 8.370 nan 0.000 0.450 277 V N 4.563 124.490 119.914 0.022 0.000 2.417 277 V HA 0.299 4.420 4.120 0.001 0.000 0.291 277 V C -1.947 174.085 176.094 -0.104 0.000 1.024 277 V CA -1.420 60.864 62.300 -0.027 0.000 0.861 277 V CB 1.548 33.361 31.823 -0.017 0.000 0.985 277 V HN 0.465 nan 8.190 nan 0.000 0.436 278 P HA 0.330 nan 4.420 nan 0.000 0.277 278 P C -1.103 175.906 177.300 -0.486 0.000 1.240 278 P CA -0.386 62.499 63.100 -0.358 0.000 0.798 278 P CB 0.633 32.026 31.700 -0.512 0.000 0.979 279 D N 0.315 120.507 120.400 -0.346 0.000 2.454 279 D HA 0.151 4.792 4.640 0.001 0.000 0.225 279 D C 0.066 176.248 176.300 -0.196 0.000 1.081 279 D CA -0.429 53.418 54.000 -0.255 0.000 0.864 279 D CB 0.073 40.809 40.800 -0.107 0.000 1.040 279 D HN 0.174 nan 8.370 nan 0.000 0.517 280 Y N 2.638 122.943 120.300 0.008 0.000 2.421 280 Y HA 0.000 4.551 4.550 0.001 0.000 0.292 280 Y C 2.393 178.294 175.900 0.003 0.000 1.136 280 Y CA 0.858 58.960 58.100 0.004 0.000 1.255 280 Y CB -0.603 37.857 38.460 0.000 0.000 0.991 280 Y HN 0.568 nan 8.280 nan 0.000 0.552 281 A N -0.502 122.390 122.820 0.120 0.000 1.978 281 A HA -0.185 4.135 4.320 0.001 0.000 0.220 281 A C 2.349 179.964 177.584 0.051 0.000 1.170 281 A CA 1.954 54.034 52.037 0.072 0.000 0.636 281 A CB -0.870 18.156 19.000 0.044 0.000 0.810 281 A HN 0.383 nan 8.150 nan 0.000 0.448 282 S N -0.730 114.994 115.700 0.039 0.000 2.515 282 S HA -0.038 4.433 4.470 0.001 0.000 0.231 282 S C 0.653 175.277 174.600 0.040 0.000 0.987 282 S CA 1.110 59.326 58.200 0.028 0.000 0.936 282 S CB -0.108 63.098 63.200 0.011 0.000 0.766 282 S HN 0.677 nan 8.310 nan 0.000 0.528 283 D N 0.524 120.963 120.400 0.066 0.000 2.879 283 D HA 0.216 4.857 4.640 0.001 0.000 0.351 283 D C -1.954 174.388 176.300 0.071 0.000 1.239 283 D CA -1.766 52.276 54.000 0.070 0.000 0.771 283 D CB 0.675 41.531 40.800 0.093 0.000 1.176 283 D HN 0.021 nan 8.370 nan 0.000 0.496 284 P HA -0.049 nan 4.420 nan 0.000 0.226 284 P C 0.656 177.966 177.300 0.018 0.000 1.153 284 P CA 0.711 63.833 63.100 0.036 0.000 0.777 284 P CB 0.566 32.282 31.700 0.026 0.000 0.794 285 E N -0.787 119.424 120.200 0.018 0.000 2.472 285 E HA 0.151 4.502 4.350 0.001 0.000 0.196 285 E C 1.198 177.802 176.600 0.005 0.000 1.033 285 E CA 0.465 56.870 56.400 0.008 0.000 0.886 285 E CB -0.247 29.458 29.700 0.008 0.000 0.944 285 E HN 0.258 nan 8.360 nan 0.000 0.492 286 G N 2.654 111.464 108.800 0.016 0.000 2.225 286 G HA2 -0.333 3.627 3.960 0.001 0.000 0.264 286 G HA3 -0.333 3.627 3.960 0.001 0.000 0.264 286 G C 0.750 175.663 174.900 0.022 0.000 1.060 286 G CA 0.738 45.847 45.100 0.016 0.000 0.833 286 G HN 0.267 nan 8.290 nan 0.000 0.498 287 K N -1.048 119.368 120.400 0.028 0.000 2.305 287 K HA 0.270 4.591 4.320 0.001 0.000 0.199 287 K C 2.180 178.797 176.600 0.029 0.000 1.047 287 K CA 1.138 57.439 56.287 0.023 0.000 0.976 287 K CB 0.374 32.885 32.500 0.019 0.000 0.765 287 K HN 0.392 nan 8.250 nan 0.000 0.474 288 V N 0.662 120.601 119.914 0.043 0.000 2.788 288 V HA 0.150 4.270 4.120 0.001 0.000 0.241 288 V C 0.761 176.895 176.094 0.066 0.000 1.083 288 V CA 0.488 62.817 62.300 0.048 0.000 1.103 288 V CB 0.312 32.164 31.823 0.049 0.000 0.800 288 V HN 0.100 nan 8.190 nan 0.000 0.476 289 I N 0.921 121.544 120.570 0.088 0.000 2.439 289 I HA 0.613 4.784 4.170 0.001 0.000 0.285 289 I C 0.061 176.211 176.117 0.055 0.000 1.021 289 I CA -0.638 60.724 61.300 0.103 0.000 1.091 289 I CB 1.627 39.748 38.000 0.202 0.000 1.242 289 I HN 0.130 nan 8.210 nan 0.000 0.439 290 A N 5.956 128.790 122.820 0.023 0.000 2.498 290 A HA 0.234 4.555 4.320 0.001 0.000 0.239 290 A C 1.183 178.734 177.584 -0.054 0.000 1.068 290 A CA -0.276 51.755 52.037 -0.011 0.000 0.766 290 A CB 0.343 19.337 19.000 -0.011 0.000 1.003 290 A HN 0.728 nan 8.150 nan 0.000 0.497 291 L N 1.495 122.679 121.223 -0.066 0.000 2.187 291 L HA -0.129 4.212 4.340 0.001 0.000 0.213 291 L C 1.554 178.362 176.870 -0.104 0.000 1.100 291 L CA 2.295 57.074 54.840 -0.101 0.000 0.765 291 L CB -1.254 40.759 42.059 -0.077 0.000 0.904 291 L HN 0.910 nan 8.230 nan 0.000 0.437 292 D N -1.889 118.465 120.400 -0.077 0.000 2.388 292 D HA 0.010 4.650 4.640 0.001 0.000 0.221 292 D C 0.733 176.986 176.300 -0.077 0.000 1.133 292 D CA -0.062 53.893 54.000 -0.076 0.000 0.831 292 D CB -0.129 40.637 40.800 -0.055 0.000 0.962 292 D HN 0.231 nan 8.370 nan 0.000 0.502 293 S N -0.996 114.658 115.700 -0.076 0.000 2.617 293 S HA 0.150 4.621 4.470 0.001 0.000 0.269 293 S C 1.117 175.682 174.600 -0.059 0.000 1.292 293 S CA -0.403 57.763 58.200 -0.057 0.000 1.010 293 S CB 1.732 64.925 63.200 -0.012 0.000 0.944 293 S HN 0.166 nan 8.310 nan 0.000 0.536 294 H N 1.496 120.462 119.070 -0.173 0.000 2.293 294 H HA 0.005 4.562 4.556 0.001 0.000 0.300 294 H C 1.737 177.029 175.328 -0.060 0.000 1.082 294 H CA 2.210 58.157 56.048 -0.169 0.000 1.308 294 H CB -0.237 29.357 29.762 -0.282 0.000 1.375 294 H HN 0.714 nan 8.280 nan 0.000 0.495 295 I N -0.118 120.489 120.570 0.062 0.000 2.163 295 I HA -0.315 3.855 4.170 0.001 0.000 0.243 295 I C 2.603 178.723 176.117 0.005 0.000 1.085 295 I CA 1.782 63.122 61.300 0.067 0.000 1.347 295 I CB -0.209 37.899 38.000 0.180 0.000 1.044 295 I HN 0.277 nan 8.210 nan 0.000 0.408 296 R N 0.548 121.009 120.500 -0.065 0.000 2.062 296 R HA -0.071 4.270 4.340 0.001 0.000 0.226 296 R C 2.332 178.445 176.300 -0.313 0.000 1.125 296 R CA 1.096 57.008 56.100 -0.312 0.000 0.966 296 R CB -0.215 29.836 30.300 -0.415 0.000 0.861 296 R HN 0.372 nan 8.270 nan 0.000 0.433 297 L N 0.464 121.549 121.223 -0.231 0.000 2.265 297 L HA -0.081 4.260 4.340 0.001 0.000 0.215 297 L C 2.331 179.079 176.870 -0.203 0.000 1.117 297 L CA 1.102 55.818 54.840 -0.207 0.000 0.782 297 L CB -0.401 41.548 42.059 -0.183 0.000 0.914 297 L HN 0.386 nan 8.230 nan 0.000 0.441 298 A N 0.277 122.965 122.820 -0.220 0.000 2.067 298 A HA -0.061 4.260 4.320 0.001 0.000 0.217 298 A C 0.706 178.225 177.584 -0.109 0.000 1.156 298 A CA 0.726 52.642 52.037 -0.203 0.000 0.683 298 A CB -0.281 18.561 19.000 -0.264 0.000 0.808 298 A HN 0.668 nan 8.150 nan 0.000 0.455 299 N N -0.083 118.573 118.700 -0.073 0.000 2.621 299 N HA 0.351 5.092 4.740 0.001 0.000 0.271 299 N C -3.521 171.987 175.510 -0.004 0.000 1.181 299 N CA -1.171 51.873 53.050 -0.010 0.000 0.805 299 N CB 1.197 39.716 38.487 0.054 0.000 1.351 299 N HN -0.124 nan 8.380 nan 0.000 0.539 306 E N 1.454 121.668 120.200 0.023 0.000 2.427 306 E HA 0.034 4.385 4.350 0.001 0.000 0.196 306 E C 1.291 177.912 176.600 0.034 0.000 1.028 306 E CA 1.161 57.578 56.400 0.027 0.000 0.864 306 E CB 0.160 29.873 29.700 0.023 0.000 0.813 306 E HN 0.511 nan 8.360 nan 0.000 0.514 307 S N -0.398 115.326 115.700 0.040 0.000 2.603 307 S HA 0.023 4.493 4.470 0.001 0.000 0.232 307 S C 1.451 176.097 174.600 0.077 0.000 1.016 307 S CA -0.108 58.132 58.200 0.065 0.000 0.976 307 S CB 0.409 63.648 63.200 0.065 0.000 0.921 307 S HN 0.083 nan 8.310 nan 0.000 0.516 308 S N 1.440 117.167 115.700 0.044 0.000 2.622 308 S HA 0.425 4.896 4.470 0.001 0.000 0.236 308 S C 0.349 174.973 174.600 0.040 0.000 0.956 308 S CA -0.685 57.531 58.200 0.026 0.000 0.971 308 S CB -0.696 62.501 63.200 -0.005 0.000 0.782 308 S HN 0.489 nan 8.310 nan 0.000 0.468 309 L N 2.495 123.756 121.223 0.064 0.000 2.467 309 L HA 0.449 4.790 4.340 0.001 0.000 0.270 309 L C 0.481 177.396 176.870 0.074 0.000 1.205 309 L CA 0.004 54.883 54.840 0.065 0.000 0.828 309 L CB 0.597 42.692 42.059 0.060 0.000 1.101 309 L HN 0.509 nan 8.230 nan 0.000 0.479 310 M N 1.873 121.516 119.600 0.072 0.000 2.721 310 M HA 0.487 4.968 4.480 0.001 0.000 0.271 310 M C -1.875 174.455 176.300 0.050 0.000 1.259 310 M CA -0.965 54.377 55.300 0.071 0.000 0.835 310 M CB 2.279 34.945 32.600 0.109 0.000 1.689 310 M HN 0.291 nan 8.290 nan 0.000 0.470 311 L N 2.162 123.404 121.223 0.031 0.000 2.276 311 L HA 0.568 4.909 4.340 0.001 0.000 0.286 311 L C -0.783 176.091 176.870 0.006 0.000 1.024 311 L CA -0.007 54.841 54.840 0.015 0.000 0.826 311 L CB 1.055 43.101 42.059 -0.022 0.000 1.211 311 L HN 0.699 nan 8.230 nan 0.000 0.422 312 R N 4.185 124.672 120.500 -0.021 0.000 2.357 312 R HA 0.503 4.844 4.340 0.001 0.000 0.296 312 R C -0.169 176.071 176.300 -0.100 0.000 1.052 312 R CA -0.411 55.608 56.100 -0.135 0.000 0.988 312 R CB 0.913 31.175 30.300 -0.063 0.000 1.025 312 R HN 0.522 nan 8.270 nan 0.000 0.469 313 R N 1.661 122.069 120.500 -0.154 0.000 2.627 313 R HA 0.203 4.544 4.340 0.001 0.000 0.251 313 R C -0.835 175.430 176.300 -0.059 0.000 1.524 313 R CA -0.195 55.873 56.100 -0.054 0.000 1.606 313 R CB 0.826 31.187 30.300 0.102 0.000 1.396 313 R HN 0.848 nan 8.270 nan 0.000 0.724 314 G N 0.659 109.380 108.800 -0.132 0.000 2.451 314 G HA2 0.379 4.339 3.960 0.001 0.000 0.303 314 G HA3 0.379 4.339 3.960 0.001 0.000 0.303 314 G C -1.319 173.520 174.900 -0.102 0.000 1.166 314 G CA -0.104 44.970 45.100 -0.043 0.000 0.884 314 G HN 0.241 nan 8.290 nan 0.000 0.514 315 Y N -0.496 119.770 120.300 -0.057 0.000 2.536 315 Y HA 0.468 5.018 4.550 0.001 0.000 0.347 315 Y C 0.732 176.518 175.900 -0.190 0.000 1.000 315 Y CA -0.565 57.463 58.100 -0.120 0.000 1.051 315 Y CB 2.356 40.770 38.460 -0.077 0.000 1.259 315 Y HN 0.511 nan 8.280 nan 0.000 0.468 316 S N 1.760 117.277 115.700 -0.305 0.000 2.603 316 S HA 0.373 4.843 4.470 0.001 0.000 0.268 316 S C -1.259 173.121 174.600 -0.366 0.000 1.317 316 S CA -0.367 57.525 58.200 -0.514 0.000 1.012 316 S CB 0.257 62.881 63.200 -0.959 0.000 0.926 316 S HN 0.522 nan 8.310 nan 0.000 0.539 317 Y N -1.098 119.061 120.300 -0.235 0.000 2.562 317 Y HA 0.780 5.331 4.550 0.001 0.000 0.345 317 Y C -0.708 175.265 175.900 0.121 0.000 1.045 317 Y CA -1.074 57.038 58.100 0.019 0.000 1.028 317 Y CB 1.325 39.776 38.460 -0.015 0.000 1.297 317 Y HN 0.471 nan 8.280 nan 0.000 0.463 318 S N 4.472 120.409 115.700 0.395 0.000 2.668 318 S HA 0.659 5.129 4.470 0.001 0.000 0.277 318 S C -1.488 173.263 174.600 0.252 0.000 1.170 318 S CA -0.546 57.794 58.200 0.233 0.000 0.994 318 S CB 0.633 63.966 63.200 0.222 0.000 1.051 318 S HN 0.744 nan 8.310 nan 0.000 0.484 319 L N 3.466 124.827 121.223 0.230 0.000 2.692 319 L HA 0.731 5.071 4.340 0.001 0.000 0.213 319 L C 1.610 178.545 176.870 0.108 0.000 1.546 319 L CA 0.658 55.602 54.840 0.173 0.000 2.855 319 L CB -0.496 41.674 42.059 0.185 0.000 2.652 319 L HN 0.778 nan 8.230 nan 0.000 0.901 320 G N -0.481 108.376 108.800 0.094 0.000 3.410 320 G HA2 0.481 4.442 3.960 0.001 0.000 0.189 320 G HA3 0.481 4.442 3.960 0.001 0.000 0.189 320 G C -1.048 173.893 174.900 0.068 0.000 1.404 320 G CA -0.011 45.130 45.100 0.068 0.000 0.898 320 G HN 0.108 nan 8.290 nan 0.000 0.650 321 V N 1.038 120.986 119.914 0.057 0.000 2.604 321 V HA 0.479 4.600 4.120 0.001 0.000 0.305 321 V C 0.673 176.797 176.094 0.051 0.000 1.043 321 V CA -0.456 61.877 62.300 0.054 0.000 0.888 321 V CB 1.299 33.149 31.823 0.044 0.000 0.995 321 V HN 1.005 nan 8.190 nan 0.000 0.429 322 T N 0.760 115.346 114.554 0.054 0.000 2.795 322 T HA 0.013 4.363 4.350 0.001 0.000 0.314 322 T C 1.149 175.869 174.700 0.033 0.000 1.069 322 T CA 0.540 62.667 62.100 0.046 0.000 1.071 322 T CB 0.268 69.166 68.868 0.050 0.000 0.988 322 T HN 0.664 nan 8.240 nan 0.000 0.543 323 N N 0.780 119.495 118.700 0.025 0.000 2.137 323 N HA -0.183 4.557 4.740 0.001 0.000 0.190 323 N C 1.959 177.480 175.510 0.017 0.000 1.017 323 N CA 1.957 55.018 53.050 0.018 0.000 0.859 323 N CB -0.483 38.011 38.487 0.012 0.000 1.002 323 N HN 0.774 nan 8.380 nan 0.000 0.428 324 S N -1.936 113.775 115.700 0.019 0.000 2.555 324 S HA 0.165 4.636 4.470 0.001 0.000 0.230 324 S C 1.421 176.033 174.600 0.021 0.000 0.978 324 S CA 0.687 58.897 58.200 0.016 0.000 0.934 324 S CB -0.242 62.966 63.200 0.013 0.000 0.766 324 S HN 0.578 nan 8.310 nan 0.000 0.533 325 G N -0.302 108.515 108.800 0.028 0.000 2.148 325 G HA2 -0.177 3.783 3.960 0.001 0.000 0.203 325 G HA3 -0.177 3.783 3.960 0.001 0.000 0.203 325 G C -0.250 174.675 174.900 0.042 0.000 0.993 325 G CA -0.140 44.979 45.100 0.032 0.000 0.661 325 G HN 0.559 nan 8.290 nan 0.000 0.518 326 Q N -0.411 119.420 119.800 0.051 0.000 2.193 326 Q HA 0.740 5.080 4.340 0.001 0.000 0.246 326 Q C 0.989 177.033 176.000 0.073 0.000 0.959 326 Q CA -0.618 55.225 55.803 0.068 0.000 0.904 326 Q CB 0.939 29.726 28.738 0.081 0.000 1.238 326 Q HN 0.367 nan 8.270 nan 0.000 0.469 327 L N 1.547 122.820 121.223 0.084 0.000 2.513 327 L HA 0.039 4.380 4.340 0.001 0.000 0.272 327 L C 0.087 177.004 176.870 0.077 0.000 1.187 327 L CA 0.062 54.949 54.840 0.080 0.000 0.895 327 L CB 0.163 42.273 42.059 0.085 0.000 1.147 327 L HN 0.520 nan 8.230 nan 0.000 0.483 328 D N 6.569 127.017 120.400 0.079 0.000 2.411 328 D HA 0.461 5.101 4.640 0.001 0.000 0.225 328 D C -0.584 175.750 176.300 0.056 0.000 1.156 328 D CA -0.140 53.921 54.000 0.102 0.000 0.874 328 D CB 0.420 41.304 40.800 0.141 0.000 1.034 328 D HN 0.396 nan 8.370 nan 0.000 0.502 329 M N 1.451 120.971 119.600 -0.133 0.000 2.578 329 M HA 0.797 5.278 4.480 0.001 0.000 0.276 329 M C -0.229 175.475 176.300 -0.993 0.000 1.245 329 M CA -0.969 54.007 55.300 -0.539 0.000 0.871 329 M CB 2.206 34.667 32.600 -0.232 0.000 1.722 329 M HN 0.235 nan 8.290 nan 0.000 0.473 330 G N 0.711 108.484 108.800 -1.712 0.000 2.586 330 G HA2 0.481 4.441 3.960 0.001 0.000 0.105 330 G HA3 0.481 4.441 3.960 0.001 0.000 0.105 330 G C -2.633 171.426 174.900 -1.402 0.000 1.129 330 G CA -0.540 43.405 45.100 -1.924 0.000 1.127 330 G HN 0.769 nan 8.290 nan 0.000 0.532 331 L N 0.673 121.415 121.223 -0.802 0.000 2.410 331 L HA 0.750 5.091 4.340 0.001 0.000 0.270 331 L C -0.919 176.052 176.870 0.168 0.000 0.983 331 L CA -0.662 54.074 54.840 -0.174 0.000 0.822 331 L CB 1.797 43.864 42.059 0.014 0.000 1.285 331 L HN 0.447 nan 8.230 nan 0.000 0.409 332 L N 5.709 127.058 121.223 0.211 0.000 2.315 332 L HA 0.312 4.653 4.340 0.001 0.000 0.278 332 L C -0.579 176.407 176.870 0.193 0.000 1.088 332 L CA -0.259 54.689 54.840 0.180 0.000 0.899 332 L CB 0.030 42.173 42.059 0.140 0.000 1.277 332 L HN 0.522 nan 8.230 nan 0.000 0.431 333 F N 4.480 124.467 119.950 0.062 0.000 2.472 333 F HA 0.453 4.980 4.527 0.001 0.000 0.364 333 F C -0.245 175.562 175.800 0.011 0.000 1.090 333 F CA -0.218 57.813 58.000 0.051 0.000 1.188 333 F CB 0.755 39.788 39.000 0.056 0.000 1.105 333 F HN 0.023 nan 8.300 nan 0.000 0.536 334 V N 6.199 125.762 119.914 -0.585 0.000 2.638 334 V HA 0.482 4.603 4.120 0.001 0.000 0.306 334 V C -0.575 175.019 176.094 -0.833 0.000 1.052 334 V CA -0.796 61.189 62.300 -0.524 0.000 0.885 334 V CB 1.393 33.078 31.823 -0.230 0.000 0.999 334 V HN 1.099 nan 8.190 nan 0.000 0.424 335 C N 2.888 121.734 119.300 -0.758 0.000 2.994 335 C HA 0.907 5.367 4.460 0.001 0.000 0.304 335 C C -1.404 173.226 174.990 -0.599 0.000 1.273 335 C CA -0.948 57.745 59.018 -0.541 0.000 1.537 335 C CB 1.236 28.818 27.740 -0.264 0.000 2.001 335 C HN 0.740 nan 8.230 nan 0.000 0.471 336 Y N 0.843 121.091 120.300 -0.088 0.000 2.462 336 Y HA 0.708 5.258 4.550 0.001 0.000 0.346 336 Y C 0.054 175.917 175.900 -0.062 0.000 0.976 336 Y CA -0.245 57.805 58.100 -0.083 0.000 1.044 336 Y CB 1.882 40.234 38.460 -0.180 0.000 1.230 336 Y HN 0.806 nan 8.280 nan 0.000 0.455 337 Q N -0.344 119.539 119.800 0.137 0.000 2.391 337 Q HA 0.203 4.544 4.340 0.001 0.000 0.279 337 Q C -0.022 176.083 176.000 0.175 0.000 1.028 337 Q CA -0.918 54.943 55.803 0.097 0.000 0.836 337 Q CB 1.407 30.161 28.738 0.027 0.000 1.414 337 Q HN 0.873 nan 8.270 nan 0.000 0.397 338 H N -0.898 118.264 119.070 0.153 0.000 2.489 338 H HA 0.073 4.630 4.556 0.001 0.000 0.293 338 H C -0.251 175.293 175.328 0.360 0.000 1.066 338 H CA 1.241 57.437 56.048 0.246 0.000 1.305 338 H CB 0.587 30.444 29.762 0.158 0.000 1.386 338 H HN 0.391 nan 8.280 nan 0.000 0.551 339 D N -0.215 119.909 120.400 -0.461 0.000 2.616 339 D HA 0.012 4.653 4.640 0.001 0.000 0.238 339 D C 0.478 176.459 176.300 -0.532 0.000 1.354 339 D CA -0.543 53.149 54.000 -0.514 0.000 0.970 339 D CB 1.634 42.115 40.800 -0.531 0.000 1.369 339 D HN 0.203 nan 8.370 nan 0.000 0.585 340 L N 4.464 125.185 121.223 -0.837 0.000 2.042 340 L HA -0.079 4.262 4.340 0.001 0.000 0.210 340 L C 2.050 178.731 176.870 -0.314 0.000 1.076 340 L CA 2.022 56.568 54.840 -0.490 0.000 0.749 340 L CB -0.330 41.387 42.059 -0.570 0.000 0.893 340 L HN 0.612 nan 8.230 nan 0.000 0.432 341 E N -0.533 119.465 120.200 -0.335 0.000 2.077 341 E HA -0.259 4.092 4.350 0.001 0.000 0.193 341 E C 2.045 178.556 176.600 -0.149 0.000 0.989 341 E CA 1.360 57.642 56.400 -0.195 0.000 0.800 341 E CB -0.011 29.592 29.700 -0.162 0.000 0.746 341 E HN 0.537 nan 8.360 nan 0.000 0.452 342 K N -0.393 119.902 120.400 -0.174 0.000 2.296 342 K HA 0.009 4.330 4.320 0.001 0.000 0.200 342 K C 1.538 178.081 176.600 -0.095 0.000 1.048 342 K CA 0.695 56.913 56.287 -0.116 0.000 0.966 342 K CB 0.265 32.702 32.500 -0.106 0.000 0.754 342 K HN 0.130 nan 8.250 nan 0.000 0.466 343 G N 0.727 109.458 108.800 -0.115 0.000 2.992 343 G HA2 -0.112 3.849 3.960 0.001 0.000 0.195 343 G HA3 -0.112 3.849 3.960 0.001 0.000 0.195 343 G C 0.842 175.743 174.900 0.003 0.000 2.032 343 G CA -0.186 44.894 45.100 -0.033 0.000 0.831 343 G HN 0.125 nan 8.290 nan 0.000 0.647 344 F N 1.233 121.145 119.950 -0.064 0.000 2.087 344 F HA -0.106 4.421 4.527 0.001 0.000 0.299 344 F C 2.557 178.325 175.800 -0.054 0.000 1.100 344 F CA 1.682 59.664 58.000 -0.031 0.000 1.226 344 F CB -0.343 38.666 39.000 0.015 0.000 0.983 344 F HN 0.039 nan 8.300 nan 0.000 0.479 345 L N -0.717 120.436 121.223 -0.116 0.000 2.079 345 L HA -0.264 4.077 4.340 0.001 0.000 0.210 345 L C 2.343 179.125 176.870 -0.146 0.000 1.081 345 L CA 1.899 56.679 54.840 -0.100 0.000 0.752 345 L CB -1.183 40.863 42.059 -0.022 0.000 0.896 345 L HN 0.199 nan 8.230 nan 0.000 0.433 346 T N -0.765 113.704 114.554 -0.142 0.000 2.812 346 T HA -0.108 4.242 4.350 0.001 0.000 0.264 346 T C 1.993 176.586 174.700 -0.177 0.000 1.042 346 T CA 1.126 63.152 62.100 -0.123 0.000 1.140 346 T CB -0.047 68.769 68.868 -0.085 0.000 0.870 346 T HN 0.053 nan 8.240 nan 0.000 0.445 347 V N 1.442 121.218 119.914 -0.231 0.000 2.307 347 V HA -0.145 3.976 4.120 0.001 0.000 0.245 347 V C 2.629 178.486 176.094 -0.395 0.000 1.045 347 V CA 1.574 63.721 62.300 -0.256 0.000 1.024 347 V CB -0.644 31.078 31.823 -0.168 0.000 0.651 347 V HN 0.318 nan 8.190 nan 0.000 0.449 348 Q N 0.881 120.274 119.800 -0.678 0.000 2.084 348 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 348 Q C 2.230 177.922 176.000 -0.512 0.000 0.978 348 Q CA 2.031 57.324 55.803 -0.851 0.000 0.844 348 Q CB -0.498 27.232 28.738 -1.680 0.000 0.898 348 Q HN 0.609 nan 8.270 nan 0.000 0.426 349 K N -0.253 119.981 120.400 -0.276 0.000 2.063 349 K HA -0.192 4.129 4.320 0.001 0.000 0.208 349 K C 2.060 178.591 176.600 -0.115 0.000 1.048 349 K CA 1.440 57.682 56.287 -0.075 0.000 0.928 349 K CB -0.071 32.425 32.500 -0.006 0.000 0.713 349 K HN 0.138 nan 8.250 nan 0.000 0.442 350 R N 0.185 120.591 120.500 -0.156 0.000 2.120 350 R HA -0.074 4.267 4.340 0.001 0.000 0.234 350 R C 2.217 178.421 176.300 -0.160 0.000 1.123 350 R CA 1.275 57.289 56.100 -0.144 0.000 0.975 350 R CB -0.161 30.048 30.300 -0.152 0.000 0.866 350 R HN 0.252 nan 8.270 nan 0.000 0.446 351 L N 0.684 121.782 121.223 -0.209 0.000 2.509 351 L HA 0.022 4.362 4.340 0.001 0.000 0.222 351 L C 0.016 176.793 176.870 -0.154 0.000 1.123 351 L CA -0.260 54.458 54.840 -0.204 0.000 0.856 351 L CB -0.232 41.670 42.059 -0.260 0.000 0.985 351 L HN 0.090 nan 8.230 nan 0.000 0.456 352 N N 1.359 119.980 118.700 -0.132 0.000 2.294 352 N HA 0.037 4.778 4.740 0.001 0.000 0.263 352 N C 1.198 176.673 175.510 -0.057 0.000 1.281 352 N CA 1.315 54.323 53.050 -0.070 0.000 0.846 352 N CB 0.684 39.165 38.487 -0.010 0.000 1.061 352 N HN 0.330 nan 8.380 nan 0.000 0.478 353 G N 0.792 109.564 108.800 -0.046 0.000 2.176 353 G HA2 -0.300 3.660 3.960 0.001 0.000 0.253 353 G HA3 -0.300 3.660 3.960 0.001 0.000 0.253 353 G C 0.121 174.991 174.900 -0.050 0.000 0.979 353 G CA 0.492 45.568 45.100 -0.040 0.000 0.641 353 G HN 0.804 nan 8.290 nan 0.000 0.530 354 E N 0.093 120.254 120.200 -0.066 0.000 2.438 354 E HA 0.547 4.898 4.350 0.001 0.000 0.261 354 E C 1.662 178.226 176.600 -0.059 0.000 1.103 354 E CA 0.142 56.500 56.400 -0.070 0.000 0.959 354 E CB 0.708 30.362 29.700 -0.077 0.000 0.958 354 E HN 0.773 nan 8.360 nan 0.000 0.447 355 A N 2.754 125.538 122.820 -0.059 0.000 1.972 355 A HA -0.192 4.128 4.320 0.001 0.000 0.219 355 A C 1.983 179.554 177.584 -0.022 0.000 1.169 355 A CA 1.290 53.308 52.037 -0.031 0.000 0.635 355 A CB -0.619 18.364 19.000 -0.027 0.000 0.810 355 A HN 0.673 nan 8.150 nan 0.000 0.446 356 L N 0.452 121.602 121.223 -0.122 0.000 2.261 356 L HA -0.176 4.165 4.340 0.001 0.000 0.216 356 L C 1.989 178.813 176.870 -0.076 0.000 1.114 356 L CA 2.048 56.775 54.840 -0.188 0.000 0.777 356 L CB -0.599 41.193 42.059 -0.445 0.000 0.910 356 L HN 0.527 nan 8.230 nan 0.000 0.440 357 E N -0.709 119.457 120.200 -0.057 0.000 2.267 357 E HA -0.292 4.059 4.350 0.001 0.000 0.197 357 E C 1.875 178.456 176.600 -0.031 0.000 0.998 357 E CA 1.073 57.449 56.400 -0.040 0.000 0.830 357 E CB -0.086 29.593 29.700 -0.035 0.000 0.751 357 E HN 0.648 nan 8.360 nan 0.000 0.491 358 E N -0.193 119.981 120.200 -0.042 0.000 2.265 358 E HA -0.180 4.170 4.350 0.001 0.000 0.196 358 E C 0.734 177.145 176.600 -0.314 0.000 0.996 358 E CA 0.914 57.214 56.400 -0.167 0.000 0.832 358 E CB 0.158 29.704 29.700 -0.257 0.000 0.756 358 E HN 0.349 nan 8.360 nan 0.000 0.491 359 Y N -1.086 119.203 120.300 -0.019 0.000 2.445 359 Y HA 0.171 4.722 4.550 0.001 0.000 0.247 359 Y C 0.172 176.039 175.900 -0.054 0.000 1.129 359 Y CA -0.345 57.729 58.100 -0.044 0.000 1.251 359 Y CB 1.353 39.703 38.460 -0.182 0.000 1.176 359 Y HN -0.067 nan 8.280 nan 0.000 0.522 360 V N -1.527 118.425 119.914 0.062 0.000 3.001 360 V HA 0.680 4.801 4.120 0.001 0.000 0.314 360 V C -0.897 175.249 176.094 0.087 0.000 1.099 360 V CA -1.350 61.015 62.300 0.109 0.000 0.989 360 V CB 2.448 34.307 31.823 0.061 0.000 1.040 360 V HN 0.033 nan 8.190 nan 0.000 0.434 361 K N 3.219 123.685 120.400 0.109 0.000 2.716 361 K HA 0.556 4.877 4.320 0.001 0.000 0.249 361 K C -3.094 173.541 176.600 0.059 0.000 1.004 361 K CA -1.548 54.779 56.287 0.068 0.000 0.968 361 K CB 2.361 34.900 32.500 0.065 0.000 1.214 361 K HN 0.576 nan 8.250 nan 0.000 0.476 362 P HA 0.067 nan 4.420 nan 0.000 0.267 362 P C 0.003 177.302 177.300 -0.002 0.000 1.209 362 P CA -0.049 63.068 63.100 0.029 0.000 0.763 362 P CB 0.394 32.124 31.700 0.050 0.000 0.816 363 I N 0.736 121.278 120.570 -0.047 0.000 4.338 363 I HA 0.565 4.736 4.170 0.001 0.000 0.329 363 I C 0.536 176.541 176.117 -0.187 0.000 1.378 363 I CA -0.165 61.080 61.300 -0.091 0.000 1.170 363 I CB 0.763 38.716 38.000 -0.079 0.000 1.206 363 I HN 0.353 nan 8.210 nan 0.000 0.432 364 G N -0.064 108.597 108.800 -0.231 0.000 2.428 364 G HA2 0.574 4.534 3.960 0.001 0.000 0.304 364 G HA3 0.574 4.534 3.960 0.001 0.000 0.304 364 G C -0.462 174.212 174.900 -0.378 0.000 1.303 364 G CA -0.016 44.839 45.100 -0.410 0.000 0.825 364 G HN 0.736 nan 8.290 nan 0.000 0.484 365 G N -1.855 106.613 108.800 -0.553 0.000 2.384 365 G HA2 0.622 4.583 3.960 0.001 0.000 0.200 365 G HA3 0.622 4.583 3.960 0.001 0.000 0.200 365 G C 0.579 175.507 174.900 0.046 0.000 1.205 365 G CA 1.088 46.074 45.100 -0.189 0.000 1.116 365 G HN 2.904 nan 8.290 nan 0.000 0.547 366 G N -2.689 106.203 108.800 0.153 0.000 2.343 366 G HA2 0.596 4.557 3.960 0.001 0.000 0.289 366 G HA3 0.596 4.557 3.960 0.001 0.000 0.289 366 G C -1.961 172.925 174.900 -0.023 0.000 1.295 366 G CA 0.073 45.137 45.100 -0.059 0.000 0.869 366 G HN 1.454 nan 8.290 nan 0.000 0.522 367 Y N -0.616 119.510 120.300 -0.291 0.000 2.393 367 Y HA 0.875 5.426 4.550 0.001 0.000 0.341 367 Y C -0.163 175.476 175.900 -0.435 0.000 0.988 367 Y CA -1.788 56.231 58.100 -0.134 0.000 1.078 367 Y CB 1.779 40.266 38.460 0.046 0.000 1.203 367 Y HN 0.516 nan 8.280 nan 0.000 0.453 368 F N 1.451 121.673 119.950 0.453 0.000 2.662 368 F HA 0.475 5.003 4.527 0.001 0.000 0.312 368 F C -1.357 174.687 175.800 0.407 0.000 1.113 368 F CA -1.317 56.927 58.000 0.406 0.000 0.951 368 F CB 1.681 40.859 39.000 0.296 0.000 1.344 368 F HN 0.238 nan 8.300 nan 0.000 0.462 369 F N 2.062 122.290 119.950 0.463 0.000 2.375 369 F HA 0.753 5.281 4.527 0.001 0.000 0.361 369 F C -0.044 175.934 175.800 0.297 0.000 1.117 369 F CA -1.017 57.139 58.000 0.260 0.000 1.037 369 F CB 0.666 39.757 39.000 0.151 0.000 1.192 369 F HN 0.564 nan 8.300 nan 0.000 0.452 370 A N 7.575 130.214 122.820 -0.302 0.000 2.444 370 A HA 0.390 4.711 4.320 0.001 0.000 0.273 370 A C -0.049 177.401 177.584 -0.223 0.000 1.136 370 A CA -0.438 51.521 52.037 -0.129 0.000 0.799 370 A CB -0.293 18.716 19.000 0.016 0.000 1.081 370 A HN 0.853 nan 8.150 nan 0.000 0.509 371 L N 4.306 125.595 121.223 0.109 0.000 2.482 371 L HA 0.160 4.501 4.340 0.001 0.000 0.273 371 L C -1.516 175.480 176.870 0.211 0.000 1.228 371 L CA -1.367 53.654 54.840 0.302 0.000 0.827 371 L CB 0.044 42.286 42.059 0.305 0.000 1.099 371 L HN 0.520 nan 8.230 nan 0.000 0.494 372 P HA -0.006 nan 4.420 nan 0.000 0.271 372 P C -0.111 177.219 177.300 0.051 0.000 1.238 372 P CA -0.291 62.876 63.100 0.112 0.000 0.794 372 P CB 0.257 32.017 31.700 0.100 0.000 0.959 373 G N -0.136 108.608 108.800 -0.093 0.000 2.614 373 G HA2 0.266 4.226 3.960 0.001 0.000 0.239 373 G HA3 0.266 4.226 3.960 0.001 0.000 0.239 373 G C -0.304 174.478 174.900 -0.197 0.000 1.240 373 G CA -0.493 44.504 45.100 -0.170 0.000 0.842 373 G HN 0.340 nan 8.290 nan 0.000 0.584 374 V N 2.255 121.966 119.914 -0.338 0.000 2.427 374 V HA 0.071 4.192 4.120 0.001 0.000 0.268 374 V C 1.374 177.405 176.094 -0.105 0.000 1.046 374 V CA -0.097 62.037 62.300 -0.277 0.000 0.970 374 V CB 1.017 32.585 31.823 -0.425 0.000 1.001 374 V HN 0.889 nan 8.190 nan 0.000 0.476 375 K N 2.578 122.919 120.400 -0.099 0.000 2.097 375 K HA -0.070 4.251 4.320 0.001 0.000 0.206 375 K C 0.316 176.851 176.600 -0.109 0.000 1.049 375 K CA 1.638 57.862 56.287 -0.105 0.000 0.933 375 K CB 0.067 32.497 32.500 -0.117 0.000 0.717 375 K HN 1.034 nan 8.250 nan 0.000 0.442 376 D N -3.806 116.486 120.400 -0.181 0.000 2.809 376 D HA 0.131 4.772 4.640 0.001 0.000 0.336 376 D C -0.215 175.687 176.300 -0.665 0.000 1.367 376 D CA -0.237 53.425 54.000 -0.562 0.000 0.815 376 D CB 0.194 40.785 40.800 -0.347 0.000 1.381 376 D HN -0.148 nan 8.370 nan 0.000 0.471 377 A N -0.559 121.769 122.820 -0.819 0.000 2.178 377 A HA -0.087 4.234 4.320 0.001 0.000 0.218 377 A C 1.124 178.658 177.584 -0.084 0.000 1.157 377 A CA 1.029 52.846 52.037 -0.366 0.000 0.689 377 A CB -0.824 18.031 19.000 -0.242 0.000 0.787 377 A HN 0.473 nan 8.150 nan 0.000 0.465 378 N N 0.008 118.650 118.700 -0.095 0.000 2.336 378 N HA 0.020 4.761 4.740 0.001 0.000 0.189 378 N C -0.256 175.280 175.510 0.045 0.000 1.113 378 N CA 0.222 53.265 53.050 -0.011 0.000 0.858 378 N CB 0.180 38.649 38.487 -0.029 0.000 0.970 378 N HN 0.488 nan 8.380 nan 0.000 0.471 379 D N -0.030 120.384 120.400 0.023 0.000 2.385 379 D HA 0.296 4.937 4.640 0.001 0.000 0.254 379 D C -0.668 175.712 176.300 0.133 0.000 1.053 379 D CA -0.419 53.591 54.000 0.016 0.000 0.992 379 D CB 0.927 41.683 40.800 -0.074 0.000 1.145 379 D HN 0.089 nan 8.370 nan 0.000 0.523 380 Y N -1.699 118.594 120.300 -0.013 0.000 2.625 380 Y HA 0.552 5.103 4.550 0.001 0.000 0.338 380 Y C -1.031 174.854 175.900 -0.025 0.000 1.123 380 Y CA -1.553 56.525 58.100 -0.036 0.000 1.046 380 Y CB 0.163 38.644 38.460 0.035 0.000 1.299 380 Y HN 0.083 nan 8.280 nan 0.000 0.464 381 F N 2.313 122.345 119.950 0.136 0.000 2.607 381 F HA 0.364 4.891 4.527 0.001 0.000 0.374 381 F C 1.587 177.397 175.800 0.016 0.000 1.104 381 F CA 1.497 59.459 58.000 -0.063 0.000 1.296 381 F CB 0.291 39.086 39.000 -0.342 0.000 1.085 381 F HN 0.948 nan 8.300 nan 0.000 0.584 382 G N 1.759 110.683 108.800 0.206 0.000 2.233 382 G HA2 -0.393 3.568 3.960 0.001 0.000 0.270 382 G HA3 -0.393 3.568 3.960 0.001 0.000 0.270 382 G C 1.321 176.264 174.900 0.071 0.000 1.011 382 G CA 0.812 46.048 45.100 0.228 0.000 0.762 382 G HN 0.958 nan 8.290 nan 0.000 0.511 383 S N -0.636 114.893 115.700 -0.284 0.000 2.374 383 S HA 0.004 4.474 4.470 0.001 0.000 0.227 383 S C 2.633 177.140 174.600 -0.154 0.000 1.037 383 S CA 1.887 59.744 58.200 -0.571 0.000 1.024 383 S CB -0.529 62.069 63.200 -1.003 0.000 0.861 383 S HN 1.740 nan 8.310 nan 0.000 0.456 384 A N 1.826 124.618 122.820 -0.047 0.000 1.897 384 A HA 0.171 4.491 4.320 0.001 0.000 0.215 384 A C 2.233 179.853 177.584 0.059 0.000 1.181 384 A CA 1.370 53.440 52.037 0.055 0.000 0.620 384 A CB -0.900 18.186 19.000 0.144 0.000 0.821 384 A HN 0.552 nan 8.150 nan 0.000 0.443 385 L N -0.188 121.024 121.223 -0.017 0.000 2.043 385 L HA -0.115 4.226 4.340 0.001 0.000 0.212 385 L C 1.983 178.712 176.870 -0.236 0.000 1.075 385 L CA 1.865 56.464 54.840 -0.401 0.000 0.752 385 L CB -0.497 41.078 42.059 -0.807 0.000 0.891 385 L HN 0.387 nan 8.230 nan 0.000 0.432 386 L N -1.538 119.622 121.223 -0.106 0.000 2.509 386 L HA 0.039 4.380 4.340 0.001 0.000 0.222 386 L C 2.521 179.385 176.870 -0.010 0.000 1.123 386 L CA 0.225 55.027 54.840 -0.063 0.000 0.856 386 L CB -0.252 41.811 42.059 0.007 0.000 0.985 386 L HN 0.200 nan 8.230 nan 0.000 0.456 387 R N -0.745 119.760 120.500 0.007 0.000 2.080 387 R HA 0.035 4.375 4.340 0.001 0.000 0.222 387 R C 1.101 177.415 176.300 0.023 0.000 1.107 387 R CA 0.166 56.282 56.100 0.027 0.000 0.980 387 R CB 0.076 30.397 30.300 0.034 0.000 0.879 387 R HN 0.058 nan 8.270 nan 0.000 0.439 388 V N 0.000 119.929 119.914 0.025 0.000 2.409 388 V HA 0.000 4.121 4.120 0.001 0.000 0.244 388 V CA 0.000 62.324 62.300 0.040 0.000 1.235 388 V CB 0.000 31.866 31.823 0.072 0.000 1.184 388 V HN 0.000 nan 8.190 nan 0.000 0.556