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 2h3x_1_A DATA FIRST_RESID 29 DATA SEQUENCE PREVLTGGHS VSAPQENRIY VMDSVFMHLT ESRVHVYDYT NGKFLGMVPT DATA SEQUENCE AFNGHVQVSN DGKKIYTMTT YHERITRGKR SDVVEVWDAD KLTFEKEISL DATA SEQUENCE PPKRVQGLNY DGLFRQTTDG KFIVLQNASP ATSIGIVDVA KGDYVEDVTA DATA SEQUENCE AAGcWSVIPQ PNRPRSFMTI cGDGGLLTIN LGEDGKVASQ SRSKQMFSVK DATA SEQUENCE DDPIFIAPAL DKDKAHFVSY YGNVYSADFS GDEVKVDGPW SLLNDEDKAK DATA SEQUENCE NWVPGGYNLV GLHRASGRMY VFMHPDGKEG THKFPAAEIW VMDTKTKQRV DATA SEQUENCE ARIPGRDALS MTIDQQRNLM LTLDGGNVNV YDISQPEPKL LRTIEGAAEA DATA SEQUENCE SLQVQFHPV 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 29 P HA 0.000 nan 4.420 nan 0.000 0.216 29 P C 0.000 177.304 177.300 0.006 0.000 1.155 29 P CA 0.000 63.103 63.100 0.006 0.000 0.800 29 P CB 0.000 31.704 31.700 0.006 0.000 0.726 30 R N 2.322 122.825 120.500 0.005 0.000 2.115 30 R HA -0.083 4.257 4.340 0.000 0.000 0.239 30 R C 0.656 176.960 176.300 0.006 0.000 1.133 30 R CA 2.155 58.258 56.100 0.005 0.000 0.935 30 R CB 0.025 30.327 30.300 0.003 0.000 0.853 30 R HN 0.556 nan 8.270 nan 0.000 0.433 31 E N -1.411 118.793 120.200 0.007 0.000 2.281 31 E HA 0.514 4.864 4.350 0.000 0.000 0.262 31 E C -1.297 175.311 176.600 0.014 0.000 0.933 31 E CA -1.088 55.318 56.400 0.010 0.000 0.809 31 E CB 2.587 32.292 29.700 0.007 0.000 1.242 31 E HN -0.109 nan 8.360 nan 0.000 0.418 32 V N 1.613 121.539 119.914 0.020 0.000 2.841 32 V HA 0.207 4.327 4.120 0.000 0.000 0.310 32 V C -0.968 175.148 176.094 0.036 0.000 1.090 32 V CA -0.981 61.334 62.300 0.025 0.000 0.930 32 V CB 1.878 33.716 31.823 0.026 0.000 1.014 32 V HN 0.501 nan 8.190 nan 0.000 0.425 33 L N 4.632 125.878 121.223 0.038 0.000 2.367 33 L HA 0.688 5.028 4.340 0.000 0.000 0.275 33 L C 0.441 177.355 176.870 0.073 0.000 1.129 33 L CA 0.976 55.847 54.840 0.053 0.000 0.839 33 L CB 1.065 43.149 42.059 0.043 0.000 1.133 33 L HN 0.996 nan 8.230 nan 0.000 0.453 34 T N 1.819 116.451 114.554 0.130 0.000 2.924 34 T HA 0.948 5.298 4.350 0.000 0.000 0.291 34 T C -0.051 174.763 174.700 0.190 0.000 1.045 34 T CA -0.233 61.962 62.100 0.158 0.000 1.015 34 T CB 1.671 70.686 68.868 0.245 0.000 1.103 34 T HN 0.831 nan 8.240 nan 0.000 0.496 35 G N -1.353 107.432 108.800 -0.025 0.000 3.222 35 G HA2 0.612 4.572 3.960 0.000 0.000 0.263 35 G HA3 0.612 4.572 3.960 0.000 0.000 0.263 35 G C 0.693 175.352 174.900 -0.402 0.000 1.312 35 G CA -0.460 44.591 45.100 -0.082 0.000 0.934 35 G HN 1.913 nan 8.290 nan 0.000 0.577 36 G N -1.154 107.520 108.800 -0.209 0.000 2.153 36 G HA2 -0.233 3.727 3.960 0.000 0.000 0.252 36 G HA3 -0.233 3.727 3.960 0.000 0.000 0.252 36 G C 0.383 175.139 174.900 -0.241 0.000 0.994 36 G CA 0.665 45.645 45.100 -0.199 0.000 0.698 36 G HN 0.806 nan 8.290 nan 0.000 0.521 37 H N 0.247 119.337 119.070 0.032 0.000 2.547 37 H HA 0.573 5.129 4.556 -0.000 0.000 0.362 37 H C 0.476 175.822 175.328 0.030 0.000 1.181 37 H CA 0.546 56.609 56.048 0.025 0.000 1.376 37 H CB 1.339 31.113 29.762 0.020 0.000 1.488 37 H HN 0.211 nan 8.280 nan 0.000 0.583 38 S N 0.260 116.051 115.700 0.153 0.000 2.722 38 S HA 0.214 4.684 4.470 0.000 0.000 0.292 38 S C 0.077 174.716 174.600 0.065 0.000 1.135 38 S CA -0.909 57.346 58.200 0.090 0.000 1.003 38 S CB 1.634 64.871 63.200 0.062 0.000 1.067 38 S HN 0.306 nan 8.310 nan 0.000 0.546 39 V N 3.258 123.194 119.914 0.036 0.000 2.557 39 V HA -0.028 4.092 4.120 0.000 0.000 0.301 39 V C 1.702 177.784 176.094 -0.022 0.000 1.026 39 V CA 0.678 62.973 62.300 -0.008 0.000 1.137 39 V CB 0.440 32.248 31.823 -0.025 0.000 0.917 39 V HN 1.136 nan 8.190 nan 0.000 0.484 40 S N 4.470 120.146 115.700 -0.040 0.000 2.356 40 S HA -0.048 4.422 4.470 0.000 0.000 0.223 40 S C 1.095 175.662 174.600 -0.054 0.000 1.032 40 S CA 0.657 58.830 58.200 -0.044 0.000 1.005 40 S CB -0.200 62.967 63.200 -0.054 0.000 0.867 40 S HN 1.168 nan 8.310 nan 0.000 0.449 41 A N 3.758 126.532 122.820 -0.076 0.000 2.351 41 A HA 0.582 4.902 4.320 0.000 0.000 0.257 41 A C -2.166 175.366 177.584 -0.087 0.000 1.087 41 A CA -1.711 50.273 52.037 -0.087 0.000 0.798 41 A CB -0.160 18.773 19.000 -0.113 0.000 1.033 41 A HN 0.454 nan 8.150 nan 0.000 0.488 42 P HA 0.086 nan 4.420 nan 0.000 0.275 42 P C 0.159 177.386 177.300 -0.121 0.000 1.228 42 P CA -0.069 62.980 63.100 -0.085 0.000 0.786 42 P CB 0.778 32.439 31.700 -0.065 0.000 0.927 43 Q N 1.764 121.459 119.800 -0.176 0.000 2.118 43 Q HA -0.247 4.093 4.340 0.000 0.000 0.211 43 Q C 1.783 177.672 176.000 -0.185 0.000 0.998 43 Q CA 2.344 57.930 55.803 -0.363 0.000 0.872 43 Q CB -0.386 28.017 28.738 -0.559 0.000 0.925 43 Q HN 0.671 nan 8.270 nan 0.000 0.414 44 E N 0.218 120.387 120.200 -0.053 0.000 2.455 44 E HA -0.184 4.166 4.350 0.000 0.000 0.202 44 E C 0.761 177.448 176.600 0.144 0.000 1.045 44 E CA 1.160 57.608 56.400 0.081 0.000 0.872 44 E CB -0.082 29.653 29.700 0.059 0.000 0.792 44 E HN 0.317 nan 8.360 nan 0.000 0.542 45 N N 0.141 118.839 118.700 -0.003 0.000 2.250 45 N HA 0.097 4.837 4.740 0.000 0.000 0.190 45 N C -0.405 175.084 175.510 -0.034 0.000 1.116 45 N CA -0.008 52.925 53.050 -0.195 0.000 0.881 45 N CB 0.512 38.831 38.487 -0.280 0.000 1.006 45 N HN 0.081 nan 8.380 nan 0.000 0.491 46 R N 1.001 121.537 120.500 0.059 0.000 2.410 46 R HA 0.502 4.842 4.340 0.000 0.000 0.288 46 R C 0.134 176.479 176.300 0.073 0.000 1.051 46 R CA -0.307 55.788 56.100 -0.008 0.000 1.021 46 R CB 1.159 31.382 30.300 -0.129 0.000 1.032 46 R HN 0.142 nan 8.270 nan 0.000 0.481 47 I N -1.620 118.859 120.570 -0.152 0.000 2.934 47 I HA 0.505 4.675 4.170 0.000 0.000 0.306 47 I C -1.334 174.557 176.117 -0.376 0.000 1.110 47 I CA -1.380 59.826 61.300 -0.156 0.000 1.019 47 I CB 1.925 39.798 38.000 -0.211 0.000 1.227 47 I HN 0.399 nan 8.210 nan 0.000 0.434 48 Y N 3.254 123.564 120.300 0.017 0.000 2.331 48 Y HA 0.615 5.165 4.550 -0.000 0.000 0.334 48 Y C -0.379 175.531 175.900 0.016 0.000 0.960 48 Y CA -1.025 57.095 58.100 0.033 0.000 1.130 48 Y CB 2.133 40.603 38.460 0.017 0.000 1.164 48 Y HN 0.283 nan 8.280 nan 0.000 0.458 49 V N 5.161 125.170 119.914 0.159 0.000 2.328 49 V HA 0.226 4.346 4.120 0.000 0.000 0.278 49 V C -0.077 176.042 176.094 0.042 0.000 1.021 49 V CA -0.766 61.592 62.300 0.096 0.000 0.838 49 V CB 1.148 33.048 31.823 0.130 0.000 0.999 49 V HN 0.719 nan 8.190 nan 0.000 0.447 50 M N 4.805 124.399 119.600 -0.010 0.000 2.383 50 M HA 0.296 4.776 4.480 0.000 0.000 0.337 50 M C -0.243 175.980 176.300 -0.128 0.000 1.422 50 M CA -0.161 55.089 55.300 -0.085 0.000 1.333 50 M CB -0.196 32.347 32.600 -0.095 0.000 1.488 50 M HN 0.565 nan 8.290 nan 0.000 0.454 51 D N 2.138 122.428 120.400 -0.184 0.000 2.365 51 D HA 0.132 4.772 4.640 0.000 0.000 0.237 51 D C 0.876 177.083 176.300 -0.155 0.000 1.190 51 D CA 0.182 54.087 54.000 -0.158 0.000 0.867 51 D CB 0.927 41.596 40.800 -0.219 0.000 1.050 51 D HN 0.732 nan 8.370 nan 0.000 0.491 52 S N 2.114 117.735 115.700 -0.132 0.000 2.447 52 S HA -0.119 4.351 4.470 0.000 0.000 0.233 52 S C 1.162 175.708 174.600 -0.089 0.000 1.006 52 S CA 0.382 58.496 58.200 -0.143 0.000 0.957 52 S CB -0.377 62.733 63.200 -0.150 0.000 0.773 52 S HN 0.477 nan 8.310 nan 0.000 0.507 53 V N 2.596 122.487 119.914 -0.039 0.000 5.691 53 V HA -0.285 3.835 4.120 0.000 0.000 0.288 53 V C 1.007 177.048 176.094 -0.088 0.000 0.615 53 V CA 1.035 63.311 62.300 -0.041 0.000 0.619 53 V CB -3.171 28.638 31.823 -0.024 0.000 0.296 53 V HN 0.745 nan 8.190 nan 0.000 0.834 54 F N -0.470 119.397 119.950 -0.137 0.000 2.225 54 F HA -0.220 4.307 4.527 0.000 0.000 0.302 54 F C 1.873 177.577 175.800 -0.160 0.000 1.068 54 F CA 2.240 60.149 58.000 -0.151 0.000 1.327 54 F CB -0.271 38.641 39.000 -0.145 0.000 1.043 54 F HN 0.311 nan 8.300 nan 0.000 0.506 55 M N -0.046 118.864 119.600 -1.149 0.000 2.279 55 M HA -0.090 4.390 4.480 0.000 0.000 0.264 55 M C 0.294 176.001 176.300 -0.989 0.000 1.062 55 M CA 1.378 56.005 55.300 -1.121 0.000 1.099 55 M CB -1.111 30.896 32.600 -0.989 0.000 1.394 55 M HN 0.307 nan 8.290 nan 0.000 0.426 56 H N -0.765 118.179 119.070 -0.210 0.000 2.597 56 H HA 0.177 4.733 4.556 0.000 0.000 0.225 56 H C 0.774 176.068 175.328 -0.058 0.000 1.422 56 H CA -0.493 55.500 56.048 -0.091 0.000 1.335 56 H CB 0.080 29.797 29.762 -0.075 0.000 1.783 56 H HN 0.067 nan 8.280 nan 0.000 0.513 57 L N 1.860 123.077 121.223 -0.009 0.000 2.270 57 L HA -0.168 4.172 4.340 0.000 0.000 0.217 57 L C 2.345 179.200 176.870 -0.026 0.000 1.107 57 L CA 2.195 56.978 54.840 -0.096 0.000 0.772 57 L CB -0.442 41.491 42.059 -0.210 0.000 0.902 57 L HN 0.485 nan 8.230 nan 0.000 0.439 58 T N -4.446 110.216 114.554 0.179 0.000 3.118 58 T HA -0.099 4.251 4.350 0.000 0.000 0.260 58 T C 1.240 176.006 174.700 0.109 0.000 1.139 58 T CA 0.811 63.054 62.100 0.239 0.000 1.085 58 T CB -0.243 68.765 68.868 0.233 0.000 0.934 58 T HN 0.506 nan 8.240 nan 0.000 0.518 59 E N 1.855 122.092 120.200 0.062 0.000 3.385 59 E HA 0.237 4.587 4.350 0.000 0.000 0.206 59 E C -0.071 176.521 176.600 -0.013 0.000 0.997 59 E CA -0.399 56.019 56.400 0.031 0.000 1.278 59 E CB 0.428 30.151 29.700 0.038 0.000 1.165 59 E HN 0.617 nan 8.360 nan 0.000 0.452 60 S N 0.924 116.588 115.700 -0.061 0.000 2.589 60 S HA 0.366 4.836 4.470 0.000 0.000 0.265 60 S C 0.270 174.799 174.600 -0.117 0.000 1.342 60 S CA -0.549 57.584 58.200 -0.112 0.000 1.005 60 S CB 1.242 64.339 63.200 -0.172 0.000 0.909 60 S HN 0.406 nan 8.310 nan 0.000 0.555 61 R N -0.786 119.610 120.500 -0.173 0.000 2.756 61 R HA 0.551 4.891 4.340 0.000 0.000 0.273 61 R C -2.276 173.862 176.300 -0.269 0.000 1.030 61 R CA -0.919 55.064 56.100 -0.195 0.000 0.887 61 R CB 0.459 30.671 30.300 -0.147 0.000 1.274 61 R HN 0.518 nan 8.270 nan 0.000 0.461 62 V N 2.188 121.971 119.914 -0.217 0.000 2.378 62 V HA 0.386 4.506 4.120 0.000 0.000 0.288 62 V C -0.566 175.495 176.094 -0.055 0.000 1.016 62 V CA -0.813 61.405 62.300 -0.136 0.000 0.840 62 V CB 1.155 32.947 31.823 -0.051 0.000 0.994 62 V HN 0.564 nan 8.190 nan 0.000 0.431 63 H N 3.228 122.362 119.070 0.107 0.000 2.489 63 H HA 0.506 5.062 4.556 0.000 0.000 0.322 63 H C -0.411 174.892 175.328 -0.043 0.000 1.091 63 H CA -0.539 55.573 56.048 0.107 0.000 1.291 63 H CB 1.940 31.959 29.762 0.429 0.000 1.436 63 H HN 0.387 nan 8.280 nan 0.000 0.480 64 V N 5.686 125.432 119.914 -0.280 0.000 2.370 64 V HA 0.201 4.321 4.120 0.000 0.000 0.279 64 V C -0.471 175.289 176.094 -0.558 0.000 1.029 64 V CA -0.555 61.487 62.300 -0.429 0.000 0.870 64 V CB 0.032 31.591 31.823 -0.441 0.000 0.984 64 V HN 0.582 nan 8.190 nan 0.000 0.451 65 Y N 1.555 121.647 120.300 -0.346 0.000 2.587 65 Y HA 0.483 5.033 4.550 0.000 0.000 0.337 65 Y C 0.236 176.021 175.900 -0.191 0.000 1.065 65 Y CA -1.048 56.919 58.100 -0.222 0.000 1.126 65 Y CB 1.550 39.952 38.460 -0.098 0.000 1.279 65 Y HN 0.535 nan 8.280 nan 0.000 0.489 66 D N 1.039 121.463 120.400 0.040 0.000 2.412 66 D HA 0.024 4.664 4.640 0.000 0.000 0.224 66 D C 0.231 176.535 176.300 0.005 0.000 1.093 66 D CA -0.384 53.584 54.000 -0.053 0.000 0.850 66 D CB 0.619 41.364 40.800 -0.092 0.000 1.046 66 D HN 0.625 nan 8.370 nan 0.000 0.507 67 Y N 2.158 122.467 120.300 0.015 0.000 2.574 67 Y HA -0.076 4.474 4.550 0.000 0.000 0.294 67 Y C 1.865 177.783 175.900 0.029 0.000 1.142 67 Y CA 1.290 59.395 58.100 0.008 0.000 1.314 67 Y CB -0.705 37.756 38.460 0.003 0.000 0.991 67 Y HN 0.274 nan 8.280 nan 0.000 0.555 68 T N -1.645 112.722 114.554 -0.311 0.000 2.978 68 T HA -0.044 4.306 4.350 0.000 0.000 0.262 68 T C 1.016 175.687 174.700 -0.049 0.000 1.063 68 T CA 0.971 62.963 62.100 -0.181 0.000 1.140 68 T CB -0.482 68.209 68.868 -0.295 0.000 0.886 68 T HN 0.576 nan 8.240 nan 0.000 0.470 69 N N -0.149 118.527 118.700 -0.040 0.000 2.118 69 N HA 0.295 5.035 4.740 0.000 0.000 0.226 69 N C 1.292 176.823 175.510 0.035 0.000 1.305 69 N CA 0.176 53.223 53.050 -0.005 0.000 0.890 69 N CB -0.044 38.431 38.487 -0.021 0.000 1.118 69 N HN 0.492 nan 8.380 nan 0.000 0.511 70 G N 0.716 109.557 108.800 0.069 0.000 2.203 70 G HA2 -0.396 3.564 3.960 0.000 0.000 0.263 70 G HA3 -0.396 3.564 3.960 0.000 0.000 0.263 70 G C -0.161 174.888 174.900 0.248 0.000 1.012 70 G CA 0.707 45.892 45.100 0.142 0.000 0.749 70 G HN 0.707 nan 8.290 nan 0.000 0.512 71 K N -0.331 120.158 120.400 0.150 0.000 2.249 71 K HA 0.519 4.839 4.320 0.000 0.000 0.280 71 K C -0.022 176.575 176.600 -0.005 0.000 1.033 71 K CA -0.998 55.344 56.287 0.091 0.000 0.946 71 K CB 0.252 32.758 32.500 0.010 0.000 1.005 71 K HN 0.047 nan 8.250 nan 0.000 0.469 72 F N 5.735 125.515 119.950 -0.284 0.000 2.472 72 F HA 0.117 4.644 4.527 -0.000 0.000 0.364 72 F C 0.346 175.925 175.800 -0.369 0.000 1.090 72 F CA -0.032 57.580 58.000 -0.648 0.000 1.188 72 F CB 0.442 39.115 39.000 -0.545 0.000 1.105 72 F HN 0.549 nan 8.300 nan 0.000 0.536 73 L N 4.882 125.603 121.223 -0.837 0.000 2.470 73 L HA 0.455 4.795 4.340 0.000 0.000 0.219 73 L C 1.142 177.705 176.870 -0.512 0.000 1.071 73 L CA 0.488 55.025 54.840 -0.505 0.000 0.850 73 L CB -0.343 41.491 42.059 -0.376 0.000 1.040 73 L HN 0.848 nan 8.230 nan 0.000 0.475 74 G N 0.018 108.260 108.800 -0.931 0.000 2.333 74 G HA2 0.417 4.377 3.960 0.000 0.000 0.288 74 G HA3 0.417 4.377 3.960 0.000 0.000 0.288 74 G C -1.574 173.063 174.900 -0.437 0.000 1.286 74 G CA -0.188 44.629 45.100 -0.472 0.000 0.865 74 G HN -0.033 nan 8.290 nan 0.000 0.506 75 M N -1.998 117.553 119.600 -0.081 0.000 2.790 75 M HA 0.753 5.233 4.480 0.000 0.000 0.272 75 M C -1.942 174.322 176.300 -0.060 0.000 1.168 75 M CA -1.037 54.269 55.300 0.010 0.000 0.829 75 M CB 2.059 34.809 32.600 0.250 0.000 1.675 75 M HN 0.777 nan 8.290 nan 0.000 0.505 76 V N 1.977 121.785 119.914 -0.176 0.000 2.447 76 V HA 0.562 4.682 4.120 0.000 0.000 0.292 76 V C -2.327 173.552 176.094 -0.357 0.000 1.021 76 V CA -1.231 60.771 62.300 -0.496 0.000 0.850 76 V CB 1.830 33.162 31.823 -0.819 0.000 1.005 76 V HN 0.730 nan 8.190 nan 0.000 0.426 77 P HA 0.178 nan 4.420 nan 0.000 0.271 77 P C 0.213 177.466 177.300 -0.079 0.000 1.216 77 P CA 0.151 63.207 63.100 -0.072 0.000 0.776 77 P CB 1.052 32.788 31.700 0.060 0.000 0.881 78 T N -0.986 113.526 114.554 -0.071 0.000 3.393 78 T HA 0.525 4.875 4.350 0.000 0.000 0.298 78 T C 0.732 175.364 174.700 -0.113 0.000 1.004 78 T CA 0.244 62.298 62.100 -0.076 0.000 0.956 78 T CB -0.457 68.340 68.868 -0.117 0.000 1.182 78 T HN 0.619 nan 8.240 nan 0.000 0.497 79 A N 1.891 124.660 122.820 -0.085 0.000 5.568 79 A HA -0.188 4.132 4.320 0.000 0.000 0.322 79 A C 0.053 177.610 177.584 -0.044 0.000 1.802 79 A CA 0.870 52.844 52.037 -0.104 0.000 0.727 79 A CB -1.733 17.019 19.000 -0.414 0.000 1.362 79 A HN 1.145 nan 8.150 nan 0.000 0.396 80 F N 2.250 122.103 119.950 -0.161 0.000 2.471 80 F HA 0.442 4.969 4.527 -0.000 0.000 0.365 80 F C 1.000 176.758 175.800 -0.070 0.000 1.095 80 F CA 0.778 58.732 58.000 -0.076 0.000 1.174 80 F CB -0.348 38.635 39.000 -0.028 0.000 1.105 80 F HN 0.955 nan 8.300 nan 0.000 0.535 81 N N 3.768 122.083 118.700 -0.642 0.000 2.650 81 N HA -0.185 4.555 4.740 0.000 0.000 0.272 81 N C -0.365 175.027 175.510 -0.196 0.000 1.058 81 N CA 0.823 53.578 53.050 -0.492 0.000 0.765 81 N CB -0.746 37.349 38.487 -0.652 0.000 0.902 81 N HN 0.951 nan 8.380 nan 0.000 0.551 82 G N 1.095 109.777 108.800 -0.196 0.000 2.476 82 G HA2 0.436 4.396 3.960 0.000 0.000 0.286 82 G HA3 0.436 4.396 3.960 0.000 0.000 0.286 82 G C -0.723 174.058 174.900 -0.199 0.000 1.177 82 G CA -0.477 44.547 45.100 -0.127 0.000 0.870 82 G HN 0.579 nan 8.290 nan 0.000 0.528 83 H N -1.001 117.924 119.070 -0.241 0.000 2.621 83 H HA 0.649 5.205 4.556 -0.000 0.000 0.360 83 H C -0.897 174.376 175.328 -0.092 0.000 1.163 83 H CA -0.549 55.373 56.048 -0.209 0.000 1.194 83 H CB 2.586 32.121 29.762 -0.379 0.000 1.649 83 H HN 0.406 nan 8.280 nan 0.000 0.532 84 V N 1.667 121.731 119.914 0.249 0.000 3.159 84 V HA 0.412 4.532 4.120 0.000 0.000 0.308 84 V C -1.730 174.547 176.094 0.305 0.000 1.190 84 V CA -0.413 62.071 62.300 0.307 0.000 1.037 84 V CB 2.662 34.529 31.823 0.074 0.000 1.060 84 V HN 1.042 nan 8.190 nan 0.000 0.437 85 Q N 2.481 122.369 119.800 0.148 0.000 2.647 85 Q HA 0.662 5.002 4.340 0.000 0.000 0.283 85 Q C -2.287 173.558 176.000 -0.259 0.000 0.943 85 Q CA -0.936 54.836 55.803 -0.051 0.000 0.813 85 Q CB 2.013 30.710 28.738 -0.069 0.000 1.477 85 Q HN 0.548 nan 8.270 nan 0.000 0.393 86 V N 1.614 121.303 119.914 -0.376 0.000 2.472 86 V HA 0.465 4.585 4.120 0.000 0.000 0.290 86 V C 0.357 176.135 176.094 -0.526 0.000 1.037 86 V CA -0.386 61.586 62.300 -0.547 0.000 0.908 86 V CB 1.330 32.777 31.823 -0.627 0.000 0.985 86 V HN 0.894 nan 8.190 nan 0.000 0.454 87 S N 3.425 118.682 115.700 -0.738 0.000 2.558 87 S HA 0.015 4.485 4.470 0.000 0.000 0.287 87 S C 1.011 175.449 174.600 -0.269 0.000 1.321 87 S CA -0.261 57.603 58.200 -0.560 0.000 1.048 87 S CB 0.195 63.078 63.200 -0.529 0.000 0.844 87 S HN 0.714 nan 8.310 nan 0.000 0.512 88 N N 2.316 120.937 118.700 -0.131 0.000 2.205 88 N HA -0.146 4.594 4.740 0.000 0.000 0.186 88 N C 1.107 176.583 175.510 -0.057 0.000 1.015 88 N CA 1.659 54.664 53.050 -0.074 0.000 0.862 88 N CB -0.672 37.800 38.487 -0.024 0.000 0.986 88 N HN 0.959 nan 8.380 nan 0.000 0.429 89 D N -0.820 119.548 120.400 -0.054 0.000 2.363 89 D HA 0.065 4.705 4.640 0.000 0.000 0.220 89 D C 1.202 177.501 176.300 -0.002 0.000 0.994 89 D CA 0.718 54.708 54.000 -0.017 0.000 0.890 89 D CB -0.524 40.273 40.800 -0.006 0.000 0.906 89 D HN 0.202 nan 8.370 nan 0.000 0.530 90 G N 0.446 109.202 108.800 -0.073 0.000 2.168 90 G HA2 -0.382 3.578 3.960 0.000 0.000 0.257 90 G HA3 -0.382 3.578 3.960 0.000 0.000 0.257 90 G C 0.928 175.886 174.900 0.095 0.000 0.997 90 G CA 0.638 45.712 45.100 -0.044 0.000 0.708 90 G HN 0.487 nan 8.290 nan 0.000 0.520 91 K N -1.067 119.337 120.400 0.007 0.000 2.360 91 K HA 0.156 4.476 4.320 0.000 0.000 0.196 91 K C 0.600 177.206 176.600 0.011 0.000 1.049 91 K CA 0.305 56.619 56.287 0.046 0.000 1.049 91 K CB 0.443 32.964 32.500 0.034 0.000 0.881 91 K HN 0.159 nan 8.250 nan 0.000 0.542 92 K N 0.914 121.253 120.400 -0.103 0.000 2.477 92 K HA 0.458 4.778 4.320 0.000 0.000 0.255 92 K C -0.703 175.712 176.600 -0.309 0.000 0.952 92 K CA -0.560 55.656 56.287 -0.118 0.000 0.826 92 K CB 2.314 34.782 32.500 -0.052 0.000 1.331 92 K HN -0.086 nan 8.250 nan 0.000 0.437 93 I N 2.246 122.752 120.570 -0.108 0.000 2.404 93 I HA 0.350 4.520 4.170 0.000 0.000 0.293 93 I C -0.615 175.583 176.117 0.135 0.000 0.992 93 I CA -0.880 60.337 61.300 -0.138 0.000 1.149 93 I CB 0.946 38.932 38.000 -0.023 0.000 1.315 93 I HN 0.377 nan 8.210 nan 0.000 0.446 94 Y N 3.880 124.237 120.300 0.095 0.000 2.341 94 Y HA 0.478 5.028 4.550 -0.000 0.000 0.337 94 Y C 0.605 176.733 175.900 0.380 0.000 1.014 94 Y CA -0.948 57.288 58.100 0.227 0.000 1.111 94 Y CB 2.179 40.698 38.460 0.098 0.000 1.194 94 Y HN 0.503 nan 8.280 nan 0.000 0.462 95 T N 1.282 116.182 114.554 0.576 0.000 2.916 95 T HA 0.695 5.045 4.350 0.000 0.000 0.292 95 T C -0.853 173.970 174.700 0.204 0.000 1.055 95 T CA -1.016 61.296 62.100 0.354 0.000 1.009 95 T CB 2.300 71.287 68.868 0.197 0.000 1.118 95 T HN 0.707 nan 8.240 nan 0.000 0.497 96 M N 2.165 121.657 119.600 -0.180 0.000 2.267 96 M HA 0.616 5.096 4.480 0.000 0.000 0.289 96 M C -1.202 174.998 176.300 -0.166 0.000 1.043 96 M CA -0.078 55.041 55.300 -0.303 0.000 0.928 96 M CB 1.947 33.975 32.600 -0.953 0.000 1.613 96 M HN 1.067 nan 8.290 nan 0.000 0.450 97 T N 1.518 116.024 114.554 -0.080 0.000 2.665 97 T HA 0.653 5.003 4.350 0.000 0.000 0.303 97 T C -1.541 173.090 174.700 -0.115 0.000 1.334 97 T CA -0.301 61.735 62.100 -0.106 0.000 1.011 97 T CB 2.143 70.893 68.868 -0.196 0.000 1.573 97 T HN 0.710 nan 8.240 nan 0.000 0.492 98 T N 1.604 116.055 114.554 -0.172 0.000 2.886 98 T HA 0.734 5.084 4.350 0.000 0.000 0.292 98 T C -1.695 172.799 174.700 -0.344 0.000 1.012 98 T CA -0.252 61.746 62.100 -0.170 0.000 0.982 98 T CB 0.796 69.635 68.868 -0.048 0.000 1.018 98 T HN 0.453 nan 8.240 nan 0.000 0.451 99 Y N 0.983 121.165 120.300 -0.197 0.000 2.598 99 Y HA 0.611 5.161 4.550 0.000 0.000 0.340 99 Y C 0.429 176.068 175.900 -0.435 0.000 1.038 99 Y CA -1.053 56.941 58.100 -0.176 0.000 1.100 99 Y CB 1.772 40.183 38.460 -0.082 0.000 1.281 99 Y HN 0.555 nan 8.280 nan 0.000 0.488 100 H N 0.365 119.532 119.070 0.162 0.000 2.865 100 H HA 0.177 4.733 4.556 0.000 0.000 0.362 100 H C -0.076 175.287 175.328 0.058 0.000 1.114 100 H CA -0.615 55.471 56.048 0.063 0.000 1.208 100 H CB 2.103 31.866 29.762 0.002 0.000 1.727 100 H HN 0.830 nan 8.280 nan 0.000 0.534 101 E N 1.243 121.527 120.200 0.140 0.000 2.253 101 E HA -0.190 4.160 4.350 0.000 0.000 0.202 101 E C 0.516 177.159 176.600 0.072 0.000 1.014 101 E CA 1.084 57.529 56.400 0.074 0.000 0.823 101 E CB 0.343 30.071 29.700 0.048 0.000 0.736 101 E HN 0.215 nan 8.360 nan 0.000 0.478 102 R N -0.690 119.863 120.500 0.089 0.000 2.642 102 R HA 0.276 4.616 4.340 0.000 0.000 0.435 102 R C 0.845 177.180 176.300 0.058 0.000 1.046 102 R CA -0.123 56.010 56.100 0.056 0.000 1.103 102 R CB 0.057 30.372 30.300 0.024 0.000 1.425 102 R HN 0.189 nan 8.270 nan 0.000 0.586 103 I N -0.533 120.111 120.570 0.122 0.000 4.687 103 I HA -0.473 3.697 4.170 0.000 0.000 0.047 103 I C 1.366 177.455 176.117 -0.047 0.000 0.625 103 I CA 2.561 63.929 61.300 0.113 0.000 0.733 103 I CB -1.491 36.556 38.000 0.079 0.000 0.682 103 I HN 0.251 nan 8.210 nan 0.000 0.158 104 T N 0.293 114.795 114.554 -0.087 0.000 3.122 104 T HA 0.386 4.736 4.350 0.000 0.000 0.250 104 T C 0.341 174.924 174.700 -0.196 0.000 1.067 104 T CA 0.285 62.280 62.100 -0.174 0.000 0.966 104 T CB -0.034 68.778 68.868 -0.092 0.000 1.002 104 T HN 0.774 nan 8.240 nan 0.000 0.542 105 R N -1.157 119.250 120.500 -0.155 0.000 2.728 105 R HA 0.611 4.951 4.340 0.000 0.000 0.274 105 R C -0.213 176.067 176.300 -0.032 0.000 1.030 105 R CA -0.541 55.494 56.100 -0.108 0.000 0.876 105 R CB 0.339 30.603 30.300 -0.058 0.000 1.259 105 R HN 0.491 nan 8.270 nan 0.000 0.468 106 G N 1.117 109.916 108.800 -0.002 0.000 2.710 106 G HA2 -0.161 3.799 3.960 0.000 0.000 0.668 106 G HA3 -0.161 3.799 3.960 0.000 0.000 0.668 106 G C -1.219 173.744 174.900 0.105 0.000 1.320 106 G CA -0.373 44.754 45.100 0.046 0.000 0.860 106 G HN 0.720 nan 8.290 nan 0.000 0.538 107 K N -0.017 120.437 120.400 0.089 0.000 2.489 107 K HA 0.247 4.567 4.320 0.000 0.000 0.278 107 K C 1.086 177.761 176.600 0.124 0.000 1.000 107 K CA 0.301 56.641 56.287 0.089 0.000 1.012 107 K CB 0.340 32.865 32.500 0.041 0.000 0.903 107 K HN 0.646 nan 8.250 nan 0.000 0.485 108 R N 1.629 122.185 120.500 0.093 0.000 2.349 108 R HA 0.199 4.539 4.340 0.000 0.000 0.299 108 R C -1.074 175.166 176.300 -0.100 0.000 1.027 108 R CA -0.238 55.810 56.100 -0.086 0.000 0.958 108 R CB 0.968 31.270 30.300 0.004 0.000 1.047 108 R HN 0.453 nan 8.270 nan 0.000 0.468 109 S N 3.497 119.111 115.700 -0.144 0.000 2.745 109 S HA 0.194 4.664 4.470 0.000 0.000 0.283 109 S C -1.554 173.049 174.600 0.005 0.000 1.170 109 S CA -0.838 57.344 58.200 -0.031 0.000 1.119 109 S CB 1.198 64.411 63.200 0.020 0.000 1.035 109 S HN 0.590 nan 8.310 nan 0.000 0.483 110 D N 2.610 122.997 120.400 -0.021 0.000 2.256 110 D HA 0.566 5.206 4.640 0.000 0.000 0.250 110 D C 0.138 176.456 176.300 0.031 0.000 1.093 110 D CA -0.054 53.939 54.000 -0.011 0.000 0.882 110 D CB 1.553 42.324 40.800 -0.048 0.000 1.185 110 D HN 0.378 nan 8.370 nan 0.000 0.437 111 V N -0.802 119.156 119.914 0.073 0.000 3.226 111 V HA 0.704 4.824 4.120 0.000 0.000 0.304 111 V C -1.230 174.944 176.094 0.134 0.000 1.336 111 V CA -0.837 61.534 62.300 0.118 0.000 1.066 111 V CB 2.027 33.969 31.823 0.198 0.000 1.087 111 V HN 0.181 nan 8.190 nan 0.000 0.451 112 V N 1.530 121.550 119.914 0.177 0.000 2.487 112 V HA 0.610 4.730 4.120 0.000 0.000 0.298 112 V C -0.402 175.857 176.094 0.275 0.000 1.028 112 V CA -0.244 62.193 62.300 0.229 0.000 0.860 112 V CB 1.590 33.544 31.823 0.219 0.000 0.991 112 V HN 1.048 nan 8.190 nan 0.000 0.427 113 E N 3.227 123.659 120.200 0.386 0.000 2.212 113 E HA 0.633 4.983 4.350 0.000 0.000 0.268 113 E C -1.426 175.464 176.600 0.484 0.000 0.902 113 E CA -0.812 55.874 56.400 0.476 0.000 0.779 113 E CB 2.879 33.022 29.700 0.739 0.000 1.172 113 E HN 0.390 nan 8.360 nan 0.000 0.409 114 V N 2.701 122.768 119.914 0.256 0.000 2.347 114 V HA 0.277 4.397 4.120 0.000 0.000 0.280 114 V C -1.076 175.079 176.094 0.102 0.000 1.021 114 V CA -0.715 61.744 62.300 0.266 0.000 0.847 114 V CB 0.089 31.982 31.823 0.116 0.000 0.990 114 V HN 0.587 nan 8.190 nan 0.000 0.444 115 W N 2.134 123.512 121.300 0.130 0.000 2.606 115 W HA 0.476 5.136 4.660 0.000 0.000 0.332 115 W C 0.086 176.635 176.519 0.049 0.000 1.052 115 W CA -0.824 56.576 57.345 0.091 0.000 1.223 115 W CB 1.096 30.642 29.460 0.143 0.000 1.383 115 W HN 0.569 nan 8.180 nan 0.000 0.524 116 D N 1.423 121.958 120.400 0.224 0.000 2.383 116 D HA 0.325 4.965 4.640 0.000 0.000 0.252 116 D C 1.122 177.545 176.300 0.204 0.000 1.166 116 D CA 0.358 54.448 54.000 0.151 0.000 0.879 116 D CB 1.519 42.372 40.800 0.087 0.000 1.164 116 D HN 0.432 nan 8.370 nan 0.000 0.462 117 A N 3.781 126.700 122.820 0.166 0.000 1.972 117 A HA -0.165 4.155 4.320 0.000 0.000 0.219 117 A C 1.652 179.353 177.584 0.195 0.000 1.169 117 A CA 1.326 53.486 52.037 0.206 0.000 0.635 117 A CB -0.187 18.960 19.000 0.245 0.000 0.810 117 A HN 0.673 nan 8.150 nan 0.000 0.446 118 D N -0.808 119.677 120.400 0.140 0.000 2.240 118 D HA 0.004 4.644 4.640 0.000 0.000 0.206 118 D C 1.616 177.975 176.300 0.099 0.000 0.963 118 D CA 0.793 54.853 54.000 0.099 0.000 0.863 118 D CB -0.027 40.813 40.800 0.067 0.000 0.973 118 D HN 0.210 nan 8.370 nan 0.000 0.501 119 K N 0.297 120.766 120.400 0.115 0.000 2.361 119 K HA 0.204 4.524 4.320 0.000 0.000 0.194 119 K C 0.668 177.373 176.600 0.175 0.000 1.032 119 K CA -0.187 56.170 56.287 0.117 0.000 1.048 119 K CB 0.800 33.353 32.500 0.088 0.000 0.842 119 K HN 0.134 nan 8.250 nan 0.000 0.526 120 L N 2.520 123.882 121.223 0.231 0.000 3.660 120 L HA -0.213 4.127 4.340 0.000 0.000 0.440 120 L C -0.264 176.936 176.870 0.550 0.000 1.262 120 L CA 0.803 55.852 54.840 0.348 0.000 0.837 120 L CB -2.250 39.940 42.059 0.218 0.000 1.689 120 L HN 0.230 nan 8.230 nan 0.000 0.890 121 T N -3.177 111.638 114.554 0.435 0.000 2.856 121 T HA 0.566 4.916 4.350 0.000 0.000 0.283 121 T C -0.390 174.194 174.700 -0.193 0.000 1.008 121 T CA -0.785 61.451 62.100 0.227 0.000 0.997 121 T CB 2.228 71.146 68.868 0.085 0.000 0.992 121 T HN 0.143 nan 8.240 nan 0.000 0.454 122 F N 2.072 121.439 119.950 -0.971 0.000 2.538 122 F HA 0.284 4.811 4.527 -0.000 0.000 0.371 122 F C 1.013 176.462 175.800 -0.585 0.000 1.087 122 F CA -0.129 57.046 58.000 -1.376 0.000 1.250 122 F CB 0.554 38.852 39.000 -1.171 0.000 1.110 122 F HN 0.845 nan 8.300 nan 0.000 0.570 123 E N 3.152 122.502 120.200 -1.418 0.000 2.444 123 E HA 0.122 4.472 4.350 0.000 0.000 0.203 123 E C -0.311 175.632 176.600 -1.095 0.000 0.847 123 E CA -0.223 55.602 56.400 -0.958 0.000 1.142 123 E CB 0.629 30.059 29.700 -0.450 0.000 1.125 123 E HN 0.464 nan 8.360 nan 0.000 0.521 124 K N 1.042 120.800 120.400 -1.071 0.000 2.532 124 K HA 0.270 4.590 4.320 0.000 0.000 0.265 124 K C -1.813 174.704 176.600 -0.138 0.000 0.948 124 K CA -0.380 55.600 56.287 -0.513 0.000 0.842 124 K CB 2.695 35.060 32.500 -0.226 0.000 1.392 124 K HN -0.067 nan 8.250 nan 0.000 0.436 125 E N 4.057 124.336 120.200 0.133 0.000 2.222 125 E HA 0.406 4.756 4.350 0.000 0.000 0.267 125 E C -1.304 175.378 176.600 0.137 0.000 0.884 125 E CA -0.711 55.845 56.400 0.260 0.000 0.764 125 E CB 1.302 31.192 29.700 0.316 0.000 1.169 125 E HN 0.480 nan 8.360 nan 0.000 0.413 126 I N 3.176 123.827 120.570 0.135 0.000 2.410 126 I HA 0.197 4.367 4.170 0.000 0.000 0.286 126 I C -0.225 175.950 176.117 0.097 0.000 1.009 126 I CA -0.763 60.598 61.300 0.101 0.000 1.111 126 I CB 1.966 40.022 38.000 0.093 0.000 1.262 126 I HN 0.406 nan 8.210 nan 0.000 0.443 127 S N 6.996 122.737 115.700 0.070 0.000 2.552 127 S HA 0.371 4.841 4.470 0.000 0.000 0.289 127 S C -0.143 174.449 174.600 -0.013 0.000 1.304 127 S CA -0.072 58.146 58.200 0.031 0.000 1.063 127 S CB 0.249 63.459 63.200 0.017 0.000 0.848 127 S HN 0.332 nan 8.310 nan 0.000 0.499 128 L N 4.377 125.549 121.223 -0.085 0.000 2.370 128 L HA 0.527 4.867 4.340 0.000 0.000 0.266 128 L C -2.244 174.445 176.870 -0.301 0.000 1.002 128 L CA -2.614 52.065 54.840 -0.267 0.000 0.818 128 L CB 1.905 43.874 42.059 -0.151 0.000 1.325 128 L HN 0.373 nan 8.230 nan 0.000 0.418 129 P HA 0.085 nan 4.420 nan 0.000 0.268 129 P C -2.424 174.779 177.300 -0.163 0.000 1.205 129 P CA -1.267 61.664 63.100 -0.283 0.000 0.771 129 P CB -0.049 31.461 31.700 -0.318 0.000 0.858 130 P HA -0.032 nan 4.420 nan 0.000 0.238 130 P C 0.179 177.468 177.300 -0.019 0.000 1.649 130 P CA 0.630 63.703 63.100 -0.046 0.000 0.960 130 P CB -0.744 30.942 31.700 -0.024 0.000 1.911 131 K N -0.101 120.284 120.400 -0.024 0.000 2.702 131 K HA 0.153 4.473 4.320 0.000 0.000 0.182 131 K C 0.162 176.778 176.600 0.028 0.000 1.167 131 K CA -0.774 55.524 56.287 0.017 0.000 1.128 131 K CB 0.060 32.576 32.500 0.027 0.000 0.838 131 K HN -0.031 nan 8.250 nan 0.000 0.491 132 R N 0.587 121.087 120.500 -0.000 0.000 2.623 132 R HA 0.199 4.539 4.340 0.000 0.000 0.271 132 R C 0.137 176.447 176.300 0.017 0.000 1.043 132 R CA -0.531 55.562 56.100 -0.011 0.000 1.083 132 R CB 0.400 30.669 30.300 -0.052 0.000 0.974 132 R HN 0.032 nan 8.270 nan 0.000 0.436 133 V N 2.943 122.857 119.914 0.001 0.000 2.617 133 V HA -0.021 4.099 4.120 0.000 0.000 0.304 133 V C -0.379 175.763 176.094 0.081 0.000 1.040 133 V CA 0.693 63.043 62.300 0.083 0.000 1.149 133 V CB 0.276 32.139 31.823 0.067 0.000 0.914 133 V HN 0.845 nan 8.190 nan 0.000 0.487 134 Q N 5.332 125.248 119.800 0.193 0.000 2.368 134 Q HA 0.708 5.048 4.340 0.000 0.000 0.263 134 Q C 0.051 176.206 176.000 0.258 0.000 1.009 134 Q CA 0.125 56.071 55.803 0.240 0.000 0.818 134 Q CB 1.798 30.713 28.738 0.296 0.000 1.239 134 Q HN 1.106 nan 8.270 nan 0.000 0.464 135 G N 1.220 110.189 108.800 0.282 0.000 2.342 135 G HA2 0.223 4.183 3.960 0.000 0.000 0.297 135 G HA3 0.223 4.183 3.960 0.000 0.000 0.297 135 G C -1.179 173.841 174.900 0.199 0.000 1.313 135 G CA -1.068 44.178 45.100 0.244 0.000 0.830 135 G HN 0.414 nan 8.290 nan 0.000 0.506 136 L N 0.533 121.836 121.223 0.134 0.000 2.503 136 L HA 0.089 4.429 4.340 0.000 0.000 0.287 136 L C 0.429 177.293 176.870 -0.010 0.000 1.252 136 L CA -0.275 54.537 54.840 -0.047 0.000 0.835 136 L CB 0.199 42.171 42.059 -0.145 0.000 1.099 136 L HN 0.450 nan 8.230 nan 0.000 0.516 137 N N 1.682 120.252 118.700 -0.218 0.000 3.178 137 N HA 0.110 4.850 4.740 0.000 0.000 0.300 137 N C -0.802 174.703 175.510 -0.009 0.000 1.242 137 N CA 0.100 53.065 53.050 -0.141 0.000 1.192 137 N CB -0.128 38.199 38.487 -0.267 0.000 1.463 137 N HN 0.362 nan 8.380 nan 0.000 0.539 138 Y N 0.588 121.022 120.300 0.222 0.000 2.359 138 Y HA -0.005 4.545 4.550 -0.000 0.000 0.330 138 Y C 1.749 177.766 175.900 0.195 0.000 1.143 138 Y CA -0.435 57.800 58.100 0.225 0.000 1.318 138 Y CB 0.901 39.523 38.460 0.269 0.000 1.234 138 Y HN 0.197 nan 8.280 nan 0.000 0.522 139 D N 2.607 123.197 120.400 0.317 0.000 2.116 139 D HA -0.189 4.451 4.640 0.000 0.000 0.193 139 D C 2.159 178.571 176.300 0.186 0.000 0.998 139 D CA 1.735 55.868 54.000 0.222 0.000 0.836 139 D CB -0.554 40.349 40.800 0.172 0.000 0.951 139 D HN 0.930 nan 8.370 nan 0.000 0.449 140 G N 0.257 109.160 108.800 0.172 0.000 2.564 140 G HA2 -0.164 3.796 3.960 0.000 0.000 0.216 140 G HA3 -0.164 3.796 3.960 0.000 0.000 0.216 140 G C 1.492 176.371 174.900 -0.035 0.000 1.124 140 G CA 0.228 45.363 45.100 0.059 0.000 0.764 140 G HN 0.292 nan 8.290 nan 0.000 0.550 141 L N -1.701 119.547 121.223 0.042 0.000 2.529 141 L HA 0.400 4.740 4.340 0.000 0.000 0.223 141 L C 0.144 177.048 176.870 0.056 0.000 1.113 141 L CA -0.021 54.778 54.840 -0.069 0.000 0.861 141 L CB 0.384 42.423 42.059 -0.034 0.000 1.012 141 L HN 0.139 nan 8.230 nan 0.000 0.461 142 F N 1.453 121.367 119.950 -0.060 0.000 3.094 142 F HA 0.443 4.970 4.527 -0.000 0.000 0.385 142 F C -0.201 175.598 175.800 -0.002 0.000 1.231 142 F CA -0.818 57.159 58.000 -0.038 0.000 1.207 142 F CB 0.256 39.276 39.000 0.032 0.000 1.703 142 F HN -0.214 nan 8.300 nan 0.000 0.610 143 R N 2.313 122.692 120.500 -0.202 0.000 3.151 143 R HA 0.637 4.977 4.340 0.000 0.000 0.231 143 R C -0.941 175.203 176.300 -0.259 0.000 1.511 143 R CA -0.823 55.152 56.100 -0.208 0.000 1.047 143 R CB 1.574 31.794 30.300 -0.133 0.000 1.565 143 R HN 0.650 nan 8.270 nan 0.000 0.513 144 Q N -0.737 118.974 119.800 -0.148 0.000 2.435 144 Q HA 0.379 4.719 4.340 0.000 0.000 0.282 144 Q C -0.946 175.044 176.000 -0.017 0.000 1.020 144 Q CA -0.900 54.853 55.803 -0.084 0.000 0.820 144 Q CB 1.649 30.372 28.738 -0.026 0.000 1.436 144 Q HN 0.617 nan 8.270 nan 0.000 0.395 145 T N -0.878 113.707 114.554 0.051 0.000 2.802 145 T HA 0.082 4.432 4.350 0.000 0.000 0.305 145 T C 1.008 175.754 174.700 0.078 0.000 1.053 145 T CA 0.436 62.599 62.100 0.105 0.000 1.058 145 T CB 0.663 69.655 68.868 0.207 0.000 0.988 145 T HN 0.629 nan 8.240 nan 0.000 0.539 146 T N 1.377 115.979 114.554 0.080 0.000 2.759 146 T HA -0.128 4.222 4.350 0.000 0.000 0.269 146 T C 1.497 176.230 174.700 0.055 0.000 1.042 146 T CA 1.697 63.834 62.100 0.062 0.000 1.140 146 T CB -0.570 68.339 68.868 0.067 0.000 0.864 146 T HN 0.934 nan 8.240 nan 0.000 0.455 147 D N 0.675 121.116 120.400 0.068 0.000 2.363 147 D HA 0.152 4.792 4.640 0.000 0.000 0.226 147 D C 1.526 177.840 176.300 0.022 0.000 1.020 147 D CA 0.664 54.693 54.000 0.048 0.000 0.892 147 D CB -1.000 39.838 40.800 0.063 0.000 0.900 147 D HN 0.422 nan 8.370 nan 0.000 0.531 148 G N 0.716 109.534 108.800 0.030 0.000 2.187 148 G HA2 -0.377 3.583 3.960 0.000 0.000 0.261 148 G HA3 -0.377 3.583 3.960 0.000 0.000 0.261 148 G C 1.214 176.090 174.900 -0.040 0.000 1.000 148 G CA 0.704 45.815 45.100 0.018 0.000 0.718 148 G HN 0.336 nan 8.290 nan 0.000 0.519 149 K N -1.107 119.231 120.400 -0.103 0.000 2.137 149 K HA 0.245 4.565 4.320 0.000 0.000 0.202 149 K C 0.599 176.786 176.600 -0.687 0.000 1.052 149 K CA 0.793 56.840 56.287 -0.401 0.000 0.961 149 K CB 0.098 32.306 32.500 -0.487 0.000 0.741 149 K HN 0.454 nan 8.250 nan 0.000 0.452 150 F N -0.003 119.929 119.950 -0.030 0.000 2.563 150 F HA 0.441 4.968 4.527 0.000 0.000 0.316 150 F C 0.245 175.979 175.800 -0.109 0.000 1.076 150 F CA -1.012 56.948 58.000 -0.067 0.000 0.921 150 F CB 1.423 40.395 39.000 -0.047 0.000 1.209 150 F HN -0.311 nan 8.300 nan 0.000 0.462 151 I N 3.172 123.756 120.570 0.022 0.000 2.331 151 I HA 0.349 4.519 4.170 0.000 0.000 0.292 151 I C -0.893 175.172 176.117 -0.086 0.000 0.998 151 I CA -0.747 60.481 61.300 -0.120 0.000 1.267 151 I CB 1.299 39.170 38.000 -0.215 0.000 1.386 151 I HN 0.217 nan 8.210 nan 0.000 0.476 152 V N 7.710 127.517 119.914 -0.178 0.000 2.347 152 V HA 0.399 4.519 4.120 0.000 0.000 0.280 152 V C -0.162 175.811 176.094 -0.201 0.000 1.021 152 V CA -0.581 61.557 62.300 -0.271 0.000 0.847 152 V CB 1.291 32.776 31.823 -0.563 0.000 0.990 152 V HN 0.498 nan 8.190 nan 0.000 0.444 153 L N 2.805 123.974 121.223 -0.089 0.000 2.333 153 L HA 0.889 5.229 4.340 0.000 0.000 0.263 153 L C -0.587 176.239 176.870 -0.073 0.000 1.014 153 L CA -1.026 53.824 54.840 0.017 0.000 0.820 153 L CB 1.635 43.820 42.059 0.210 0.000 1.352 153 L HN 0.445 nan 8.230 nan 0.000 0.421 154 Q N 1.434 121.154 119.800 -0.133 0.000 2.257 154 Q HA 0.527 4.867 4.340 0.000 0.000 0.255 154 Q C -1.289 174.645 176.000 -0.111 0.000 0.920 154 Q CA 0.056 55.721 55.803 -0.230 0.000 0.927 154 Q CB 1.076 29.491 28.738 -0.538 0.000 1.229 154 Q HN 0.757 nan 8.270 nan 0.000 0.433 155 N N 1.586 120.277 118.700 -0.015 0.000 2.362 155 N HA 0.848 5.588 4.740 0.000 0.000 0.299 155 N C -1.617 174.006 175.510 0.187 0.000 1.170 155 N CA -0.487 52.611 53.050 0.079 0.000 0.825 155 N CB 2.042 40.587 38.487 0.096 0.000 1.299 155 N HN 0.610 nan 8.380 nan 0.000 0.502 156 A N -0.140 122.794 122.820 0.190 0.000 2.485 156 A HA 0.414 4.734 4.320 0.000 0.000 0.285 156 A C -0.132 177.532 177.584 0.133 0.000 1.045 156 A CA -0.584 51.585 52.037 0.221 0.000 0.792 156 A CB 0.306 19.495 19.000 0.315 0.000 1.307 156 A HN 0.609 nan 8.150 nan 0.000 0.406 157 S N 1.794 117.555 115.700 0.102 0.000 2.629 157 S HA 0.220 4.690 4.470 0.000 0.000 0.236 157 S C -0.479 174.153 174.600 0.054 0.000 1.010 157 S CA 0.406 58.649 58.200 0.071 0.000 0.981 157 S CB -0.354 62.881 63.200 0.059 0.000 0.919 157 S HN 0.652 nan 8.310 nan 0.000 0.514 158 P HA 0.374 nan 4.420 nan 0.000 0.245 158 P C 0.404 177.746 177.300 0.070 0.000 1.212 158 P CA 0.075 63.210 63.100 0.060 0.000 0.774 158 P CB -0.225 31.493 31.700 0.030 0.000 0.999 159 A N 1.406 124.265 122.820 0.065 0.000 2.511 159 A HA 0.347 4.667 4.320 0.000 0.000 0.242 159 A C 0.791 178.442 177.584 0.112 0.000 1.069 159 A CA 0.164 52.243 52.037 0.072 0.000 0.763 159 A CB -0.244 18.791 19.000 0.058 0.000 1.001 159 A HN 0.411 nan 8.150 nan 0.000 0.498 160 T N 0.249 114.887 114.554 0.141 0.000 2.922 160 T HA 0.708 5.058 4.350 0.000 0.000 0.285 160 T C -0.020 174.771 174.700 0.152 0.000 1.005 160 T CA 0.118 62.342 62.100 0.206 0.000 1.061 160 T CB 1.016 70.082 68.868 0.331 0.000 1.007 160 T HN 1.862 nan 8.240 nan 0.000 0.502 161 S N 1.151 116.936 115.700 0.141 0.000 2.578 161 S HA 0.584 5.054 4.470 0.000 0.000 0.272 161 S C -1.328 173.324 174.600 0.086 0.000 1.145 161 S CA -1.173 57.092 58.200 0.109 0.000 0.835 161 S CB 0.645 63.909 63.200 0.107 0.000 1.104 161 S HN 0.810 nan 8.310 nan 0.000 0.458 162 I N 1.744 122.361 120.570 0.077 0.000 2.362 162 I HA 0.575 4.745 4.170 0.000 0.000 0.289 162 I C 0.812 176.957 176.117 0.046 0.000 0.994 162 I CA -0.557 60.764 61.300 0.035 0.000 1.158 162 I CB 1.588 39.610 38.000 0.037 0.000 1.315 162 I HN 0.934 nan 8.210 nan 0.000 0.451 163 G N 7.098 115.940 108.800 0.069 0.000 2.400 163 G HA2 0.632 4.592 3.960 0.000 0.000 0.301 163 G HA3 0.632 4.592 3.960 0.000 0.000 0.301 163 G C -0.549 174.274 174.900 -0.130 0.000 1.154 163 G CA -0.387 44.740 45.100 0.046 0.000 0.852 163 G HN 0.354 nan 8.290 nan 0.000 0.511 164 I N 1.298 121.636 120.570 -0.386 0.000 2.433 164 I HA 0.371 4.540 4.170 0.000 0.000 0.292 164 I C -0.446 175.535 176.117 -0.228 0.000 1.001 164 I CA -0.847 60.308 61.300 -0.242 0.000 1.119 164 I CB 1.565 39.421 38.000 -0.240 0.000 1.289 164 I HN 0.051 nan 8.210 nan 0.000 0.438 165 V N 4.751 124.668 119.914 0.005 0.000 2.487 165 V HA 0.270 4.390 4.120 0.000 0.000 0.298 165 V C -0.182 175.999 176.094 0.144 0.000 1.028 165 V CA -0.720 61.622 62.300 0.070 0.000 0.860 165 V CB 2.268 34.140 31.823 0.081 0.000 0.991 165 V HN 0.655 nan 8.190 nan 0.000 0.427 166 D N 4.023 124.504 120.400 0.135 0.000 2.393 166 D HA 0.170 4.810 4.640 0.000 0.000 0.232 166 D C 1.072 177.304 176.300 -0.115 0.000 1.192 166 D CA -0.052 53.948 54.000 0.000 0.000 0.882 166 D CB 1.878 42.719 40.800 0.067 0.000 1.038 166 D HN 0.270 nan 8.370 nan 0.000 0.499 167 V N 4.738 124.527 119.914 -0.210 0.000 2.252 167 V HA -0.316 3.804 4.120 0.000 0.000 0.249 167 V C 2.560 178.577 176.094 -0.129 0.000 1.056 167 V CA 2.306 64.489 62.300 -0.196 0.000 1.022 167 V CB -0.939 30.753 31.823 -0.218 0.000 0.641 167 V HN 0.686 nan 8.190 nan 0.000 0.445 168 A N 0.035 122.769 122.820 -0.144 0.000 1.851 168 A HA -0.266 4.054 4.320 0.000 0.000 0.216 168 A C 2.267 179.812 177.584 -0.066 0.000 1.195 168 A CA 2.234 54.213 52.037 -0.097 0.000 0.622 168 A CB -0.541 18.392 19.000 -0.112 0.000 0.831 168 A HN 0.567 nan 8.150 nan 0.000 0.444 169 K N -1.306 119.057 120.400 -0.061 0.000 2.362 169 K HA 0.107 4.427 4.320 0.000 0.000 0.200 169 K C 0.973 177.566 176.600 -0.012 0.000 1.046 169 K CA 0.475 56.748 56.287 -0.024 0.000 0.952 169 K CB -0.336 32.163 32.500 -0.001 0.000 0.753 169 K HN 0.772 nan 8.250 nan 0.000 0.466 170 G N 2.607 111.392 108.800 -0.025 0.000 2.314 170 G HA2 -0.246 3.714 3.960 0.000 0.000 0.292 170 G HA3 -0.246 3.714 3.960 0.000 0.000 0.292 170 G C -0.896 174.022 174.900 0.030 0.000 1.059 170 G CA 0.529 45.624 45.100 -0.009 0.000 0.982 170 G HN 0.379 nan 8.290 nan 0.000 0.505 171 D N -2.068 118.361 120.400 0.049 0.000 2.552 171 D HA 0.494 5.134 4.640 0.000 0.000 0.239 171 D C -0.691 175.695 176.300 0.143 0.000 1.139 171 D CA -0.597 53.460 54.000 0.095 0.000 0.914 171 D CB 1.003 41.851 40.800 0.080 0.000 1.461 171 D HN 0.153 nan 8.370 nan 0.000 0.462 172 Y N 1.873 122.200 120.300 0.044 0.000 2.518 172 Y HA 0.322 4.872 4.550 -0.000 0.000 0.344 172 Y C 0.778 176.707 175.900 0.049 0.000 0.982 172 Y CA -0.308 57.820 58.100 0.048 0.000 1.234 172 Y CB 0.572 39.056 38.460 0.040 0.000 1.114 172 Y HN 0.240 nan 8.280 nan 0.000 0.515 173 V N 1.362 121.179 119.914 -0.161 0.000 3.650 173 V HA 0.347 4.467 4.120 0.000 0.000 0.271 173 V C -0.182 175.798 176.094 -0.190 0.000 1.281 173 V CA 0.647 62.885 62.300 -0.104 0.000 1.120 173 V CB 0.082 31.904 31.823 -0.002 0.000 0.856 173 V HN 0.617 nan 8.190 nan 0.000 0.443 174 E N -0.216 119.743 120.200 -0.400 0.000 2.363 174 E HA 0.364 4.714 4.350 0.000 0.000 0.281 174 E C -2.009 174.389 176.600 -0.336 0.000 0.953 174 E CA -0.377 55.855 56.400 -0.279 0.000 0.778 174 E CB 1.839 31.415 29.700 -0.208 0.000 1.220 174 E HN 0.205 nan 8.360 nan 0.000 0.431 175 D N 3.799 124.138 120.400 -0.101 0.000 2.446 175 D HA 0.249 4.889 4.640 0.000 0.000 0.251 175 D C -0.735 175.582 176.300 0.028 0.000 1.137 175 D CA -0.400 53.616 54.000 0.028 0.000 0.890 175 D CB 1.335 42.229 40.800 0.157 0.000 1.071 175 D HN 0.264 nan 8.370 nan 0.000 0.528 176 V N 4.372 124.305 119.914 0.031 0.000 2.302 176 V HA -0.004 4.116 4.120 0.000 0.000 0.244 176 V C 1.972 178.102 176.094 0.060 0.000 1.160 176 V CA 0.248 62.574 62.300 0.044 0.000 1.127 176 V CB -0.106 31.769 31.823 0.086 0.000 1.253 176 V HN 0.596 nan 8.190 nan 0.000 0.496 177 T N 0.411 114.995 114.554 0.049 0.000 3.085 177 T HA -0.016 4.334 4.350 0.000 0.000 0.263 177 T C 1.780 176.506 174.700 0.043 0.000 1.127 177 T CA 0.828 62.959 62.100 0.053 0.000 1.103 177 T CB 0.098 68.993 68.868 0.046 0.000 0.921 177 T HN 0.609 nan 8.240 nan 0.000 0.510 178 A N 1.224 124.063 122.820 0.030 0.000 2.121 178 A HA 0.500 4.820 4.320 0.000 0.000 0.218 178 A C 2.463 180.066 177.584 0.032 0.000 1.154 178 A CA 1.031 53.079 52.037 0.019 0.000 0.679 178 A CB -0.907 18.092 19.000 -0.002 0.000 0.795 178 A HN 0.721 nan 8.150 nan 0.000 0.458 179 A N -0.517 122.337 122.820 0.056 0.000 2.238 179 A HA 0.573 4.893 4.320 0.000 0.000 0.208 179 A C 1.246 178.883 177.584 0.089 0.000 1.177 179 A CA 0.514 52.598 52.037 0.078 0.000 0.804 179 A CB -0.874 18.191 19.000 0.109 0.000 0.823 179 A HN 0.961 nan 8.150 nan 0.000 0.482 180 A N -0.767 122.097 122.820 0.074 0.000 2.567 180 A HA 0.419 4.739 4.320 0.000 0.000 0.240 180 A C 1.647 179.272 177.584 0.068 0.000 1.053 180 A CA 0.721 52.804 52.037 0.077 0.000 0.755 180 A CB -0.626 18.407 19.000 0.055 0.000 0.978 180 A HN 1.963 nan 8.150 nan 0.000 0.507 181 G N 0.632 109.481 108.800 0.082 0.000 2.176 181 G HA2 -0.239 3.721 3.960 0.000 0.000 0.253 181 G HA3 -0.239 3.721 3.960 0.000 0.000 0.253 181 G C 0.307 175.259 174.900 0.086 0.000 0.979 181 G CA 0.272 45.407 45.100 0.059 0.000 0.641 181 G HN 1.201 nan 8.290 nan 0.000 0.530 182 c N -0.452 118.232 118.600 0.140 0.000 2.505 182 c HA 0.929 5.499 4.570 0.000 0.000 0.358 182 c C 0.079 174.371 174.090 0.337 0.000 1.226 182 c CA -0.829 55.605 56.329 0.175 0.000 1.900 182 c CB 1.689 44.274 42.510 0.126 0.000 2.306 182 c HN 0.499 nan 8.230 nan 0.000 0.512 183 W N 0.975 122.294 121.300 0.031 0.000 3.372 183 W HA 0.486 5.146 4.660 0.000 0.000 0.315 183 W C -0.648 175.896 176.519 0.041 0.000 1.223 183 W CA 0.118 57.482 57.345 0.032 0.000 1.202 183 W CB 1.819 31.286 29.460 0.012 0.000 1.367 183 W HN 1.201 nan 8.180 nan 0.000 0.531 184 S N 1.283 116.627 115.700 -0.593 0.000 3.377 184 S HA -0.186 4.284 4.470 0.000 0.000 0.846 184 S C -1.578 172.926 174.600 -0.159 0.000 1.142 184 S CA -0.266 57.685 58.200 -0.415 0.000 1.051 184 S CB -1.316 61.774 63.200 -0.183 0.000 0.704 184 S HN 0.838 nan 8.310 nan 0.000 0.286 185 V N 3.269 123.093 119.914 -0.151 0.000 2.435 185 V HA 0.643 4.763 4.120 0.000 0.000 0.290 185 V C 0.411 176.497 176.094 -0.014 0.000 1.030 185 V CA -0.564 61.665 62.300 -0.118 0.000 0.881 185 V CB 1.386 33.019 31.823 -0.317 0.000 0.983 185 V HN 0.776 nan 8.190 nan 0.000 0.445 186 I N 6.492 127.106 120.570 0.074 0.000 2.537 186 I HA 0.328 4.498 4.170 0.000 0.000 0.276 186 I C -2.523 173.627 176.117 0.054 0.000 1.063 186 I CA -1.820 59.530 61.300 0.084 0.000 1.144 186 I CB 1.771 39.861 38.000 0.152 0.000 1.252 186 I HN 0.413 nan 8.210 nan 0.000 0.480 187 P HA -0.020 nan 4.420 nan 0.000 0.266 187 P C -0.830 176.437 177.300 -0.055 0.000 1.193 187 P CA 0.121 63.243 63.100 0.036 0.000 0.770 187 P CB 0.428 32.146 31.700 0.029 0.000 0.836 188 Q N 3.946 123.686 119.800 -0.101 0.000 2.430 188 Q HA 0.176 4.516 4.340 0.000 0.000 0.245 188 Q C -1.725 174.320 176.000 0.075 0.000 1.021 188 Q CA -1.657 54.021 55.803 -0.209 0.000 0.867 188 Q CB 0.927 29.442 28.738 -0.372 0.000 1.210 188 Q HN 0.343 nan 8.270 nan 0.000 0.487 189 P HA -0.165 nan 4.420 nan 0.000 0.223 189 P C 0.514 177.906 177.300 0.154 0.000 1.144 189 P CA 1.095 64.288 63.100 0.155 0.000 0.783 189 P CB 0.223 32.016 31.700 0.156 0.000 0.771 190 N N -1.100 117.736 118.700 0.227 0.000 2.270 190 N HA 0.020 4.760 4.740 0.000 0.000 0.198 190 N C 0.172 175.759 175.510 0.127 0.000 1.117 190 N CA 0.115 53.264 53.050 0.166 0.000 0.845 190 N CB 0.108 38.706 38.487 0.185 0.000 0.980 190 N HN 0.077 nan 8.380 nan 0.000 0.486 191 R N 0.218 120.784 120.500 0.109 0.000 2.725 191 R HA 0.317 4.657 4.340 0.000 0.000 0.277 191 R C -1.925 174.415 176.300 0.067 0.000 0.987 191 R CA -1.558 54.586 56.100 0.073 0.000 0.901 191 R CB 2.315 32.647 30.300 0.053 0.000 1.207 191 R HN -0.097 nan 8.270 nan 0.000 0.463 192 P HA -0.161 nan 4.420 nan 0.000 0.218 192 P C -0.253 177.109 177.300 0.103 0.000 1.149 192 P CA 1.408 64.553 63.100 0.076 0.000 0.817 192 P CB 0.331 32.073 31.700 0.069 0.000 0.785 193 R N -1.678 118.875 120.500 0.089 0.000 2.570 193 R HA 0.543 4.883 4.340 0.000 0.000 0.246 193 R C -0.835 175.496 176.300 0.050 0.000 1.417 193 R CA -0.329 55.838 56.100 0.112 0.000 1.525 193 R CB -0.118 30.262 30.300 0.133 0.000 1.403 193 R HN -0.211 nan 8.270 nan 0.000 0.754 194 S N 1.322 117.047 115.700 0.041 0.000 2.548 194 S HA 0.840 5.310 4.470 0.000 0.000 0.286 194 S C -1.005 173.599 174.600 0.006 0.000 1.098 194 S CA -0.703 57.451 58.200 -0.076 0.000 0.930 194 S CB 1.435 64.569 63.200 -0.111 0.000 1.070 194 S HN 0.418 nan 8.310 nan 0.000 0.480 195 F N -0.611 119.264 119.950 -0.124 0.000 2.686 195 F HA 0.799 5.326 4.527 -0.000 0.000 0.311 195 F C -1.205 174.516 175.800 -0.131 0.000 1.128 195 F CA -1.305 56.610 58.000 -0.141 0.000 0.946 195 F CB 0.914 39.857 39.000 -0.095 0.000 1.336 195 F HN 0.423 nan 8.300 nan 0.000 0.457 196 M N 1.026 120.705 119.600 0.131 0.000 2.796 196 M HA 0.746 5.226 4.480 0.000 0.000 0.303 196 M C -0.919 175.499 176.300 0.197 0.000 1.240 196 M CA -0.891 54.449 55.300 0.067 0.000 0.831 196 M CB 2.439 35.041 32.600 0.004 0.000 1.750 196 M HN 0.825 nan 8.290 nan 0.000 0.484 197 T N 0.605 115.235 114.554 0.127 0.000 3.012 197 T HA 0.557 4.907 4.350 0.000 0.000 0.330 197 T C -1.498 173.255 174.700 0.088 0.000 1.321 197 T CA -0.660 61.515 62.100 0.124 0.000 1.067 197 T CB 0.976 69.930 68.868 0.144 0.000 1.235 197 T HN 0.543 nan 8.240 nan 0.000 0.479 198 I N 3.876 124.500 120.570 0.090 0.000 2.471 198 I HA 0.336 4.506 4.170 0.000 0.000 0.286 198 I C 0.499 176.678 176.117 0.103 0.000 1.079 198 I CA -0.469 60.877 61.300 0.077 0.000 1.398 198 I CB 0.385 38.423 38.000 0.064 0.000 1.403 198 I HN 0.582 nan 8.210 nan 0.000 0.530 199 c N 3.704 122.337 118.600 0.055 0.000 2.486 199 c HA 0.415 4.985 4.570 0.000 0.000 0.348 199 c C 1.792 175.867 174.090 -0.025 0.000 1.203 199 c CA -0.618 55.729 56.329 0.029 0.000 1.911 199 c CB 1.291 43.801 42.510 0.001 0.000 2.340 199 c HN 0.987 nan 8.230 nan 0.000 0.511 200 G N 0.719 109.501 108.800 -0.029 0.000 2.653 200 G HA2 -0.147 3.813 3.960 0.000 0.000 0.212 200 G HA3 -0.147 3.813 3.960 0.000 0.000 0.212 200 G C 0.847 175.664 174.900 -0.139 0.000 1.138 200 G CA 1.118 46.175 45.100 -0.072 0.000 0.782 200 G HN 0.941 nan 8.290 nan 0.000 0.535 201 D N -0.831 119.475 120.400 -0.156 0.000 2.349 201 D HA 0.163 4.803 4.640 0.000 0.000 0.214 201 D C 1.599 177.701 176.300 -0.329 0.000 1.063 201 D CA 0.504 54.389 54.000 -0.192 0.000 0.847 201 D CB -0.361 40.361 40.800 -0.131 0.000 0.933 201 D HN 0.384 nan 8.370 nan 0.000 0.513 202 G N -0.335 108.168 108.800 -0.495 0.000 2.159 202 G HA2 -0.147 3.813 3.960 0.000 0.000 0.256 202 G HA3 -0.147 3.813 3.960 0.000 0.000 0.256 202 G C 0.526 175.052 174.900 -0.624 0.000 0.977 202 G CA 0.072 44.553 45.100 -1.033 0.000 0.652 202 G HN 0.814 nan 8.290 nan 0.000 0.531 203 G N -1.163 107.468 108.800 -0.282 0.000 2.667 203 G HA2 0.757 4.717 3.960 0.000 0.000 0.310 203 G HA3 0.757 4.717 3.960 0.000 0.000 0.310 203 G C -0.594 174.279 174.900 -0.046 0.000 1.259 203 G CA -1.139 43.884 45.100 -0.128 0.000 1.019 203 G HN 0.624 nan 8.290 nan 0.000 0.496 204 L N 0.031 121.247 121.223 -0.011 0.000 2.341 204 L HA 0.487 4.827 4.340 0.000 0.000 0.278 204 L C -0.846 176.026 176.870 0.003 0.000 1.005 204 L CA -0.841 54.006 54.840 0.012 0.000 0.818 204 L CB 2.015 44.100 42.059 0.043 0.000 1.259 204 L HN 0.339 nan 8.230 nan 0.000 0.418 205 L N 2.645 123.869 121.223 0.003 0.000 2.296 205 L HA 0.544 4.884 4.340 0.000 0.000 0.286 205 L C -0.263 176.571 176.870 -0.060 0.000 1.023 205 L CA 0.393 55.220 54.840 -0.023 0.000 0.812 205 L CB 1.682 43.736 42.059 -0.009 0.000 1.223 205 L HN 0.473 nan 8.230 nan 0.000 0.421 206 T N 6.409 120.901 114.554 -0.104 0.000 2.795 206 T HA 0.593 4.943 4.350 0.000 0.000 0.282 206 T C -0.356 174.167 174.700 -0.295 0.000 0.980 206 T CA -0.260 61.726 62.100 -0.190 0.000 1.012 206 T CB 0.823 69.608 68.868 -0.138 0.000 0.936 206 T HN 0.317 nan 8.240 nan 0.000 0.457 207 I N 4.133 124.366 120.570 -0.562 0.000 2.406 207 I HA 0.383 4.553 4.170 0.000 0.000 0.290 207 I C -0.257 175.487 176.117 -0.621 0.000 0.999 207 I CA -0.909 59.991 61.300 -0.666 0.000 1.124 207 I CB 1.653 39.006 38.000 -1.077 0.000 1.289 207 I HN 0.536 nan 8.210 nan 0.000 0.441 208 N N 7.423 125.911 118.700 -0.354 0.000 2.443 208 N HA 0.502 5.242 4.740 0.000 0.000 0.269 208 N C -0.564 174.827 175.510 -0.198 0.000 0.985 208 N CA -0.488 52.419 53.050 -0.237 0.000 0.921 208 N CB 2.602 41.000 38.487 -0.149 0.000 1.195 208 N HN 0.427 nan 8.380 nan 0.000 0.492 209 L N 0.611 121.726 121.223 -0.180 0.000 2.421 209 L HA 0.546 4.886 4.340 0.000 0.000 0.263 209 L C 1.469 178.253 176.870 -0.144 0.000 1.122 209 L CA -0.780 53.944 54.840 -0.194 0.000 0.804 209 L CB 0.829 42.714 42.059 -0.291 0.000 1.150 209 L HN 0.425 nan 8.230 nan 0.000 0.457 210 G N -0.181 108.530 108.800 -0.147 0.000 2.522 210 G HA2 0.201 4.161 3.960 0.000 0.000 0.304 210 G HA3 0.201 4.161 3.960 0.000 0.000 0.304 210 G C 0.391 175.264 174.900 -0.044 0.000 1.210 210 G CA -0.389 44.666 45.100 -0.075 0.000 0.960 210 G HN 0.798 nan 8.290 nan 0.000 0.497 211 E N -0.317 119.906 120.200 0.037 0.000 2.333 211 E HA -0.164 4.186 4.350 0.000 0.000 0.200 211 E C 1.116 177.856 176.600 0.233 0.000 1.010 211 E CA 1.330 57.813 56.400 0.138 0.000 0.841 211 E CB 0.187 29.946 29.700 0.098 0.000 0.757 211 E HN 0.623 nan 8.360 nan 0.000 0.508 212 D N -1.592 118.873 120.400 0.108 0.000 2.340 212 D HA 0.080 4.720 4.640 0.000 0.000 0.217 212 D C 1.237 177.555 176.300 0.030 0.000 1.081 212 D CA 0.582 54.665 54.000 0.137 0.000 0.842 212 D CB 0.441 41.273 40.800 0.055 0.000 0.934 212 D HN 0.141 nan 8.370 nan 0.000 0.511 213 G N 0.119 108.679 108.800 -0.399 0.000 2.217 213 G HA2 -0.301 3.659 3.960 0.000 0.000 0.246 213 G HA3 -0.301 3.659 3.960 0.000 0.000 0.246 213 G C 0.220 174.841 174.900 -0.465 0.000 0.990 213 G CA 0.076 44.597 45.100 -0.964 0.000 0.627 213 G HN 0.443 nan 8.290 nan 0.000 0.522 214 K N 0.756 121.007 120.400 -0.250 0.000 2.218 214 K HA 0.524 4.844 4.320 0.000 0.000 0.276 214 K C 0.718 177.223 176.600 -0.157 0.000 1.022 214 K CA -0.639 55.549 56.287 -0.166 0.000 0.946 214 K CB 2.101 34.543 32.500 -0.097 0.000 1.000 214 K HN 0.043 nan 8.250 nan 0.000 0.468 215 V N 3.093 122.929 119.914 -0.130 0.000 2.539 215 V HA -0.135 3.985 4.120 0.000 0.000 0.300 215 V C 1.137 177.169 176.094 -0.103 0.000 1.019 215 V CA 0.749 62.975 62.300 -0.124 0.000 1.160 215 V CB 0.429 32.192 31.823 -0.101 0.000 0.901 215 V HN 1.034 nan 8.190 nan 0.000 0.481 216 A N 4.497 127.251 122.820 -0.109 0.000 1.901 216 A HA 0.380 4.700 4.320 0.000 0.000 0.210 216 A C 1.016 178.555 177.584 -0.075 0.000 1.208 216 A CA 0.911 52.899 52.037 -0.081 0.000 0.644 216 A CB 0.163 19.118 19.000 -0.075 0.000 0.863 216 A HN 1.059 nan 8.150 nan 0.000 0.454 217 S N -1.537 114.107 115.700 -0.093 0.000 2.615 217 S HA 0.617 5.087 4.470 0.000 0.000 0.269 217 S C -1.267 173.266 174.600 -0.112 0.000 1.161 217 S CA -0.566 57.583 58.200 -0.084 0.000 0.817 217 S CB 1.108 64.268 63.200 -0.067 0.000 1.131 217 S HN 0.668 nan 8.310 nan 0.000 0.467 218 Q N -0.155 119.588 119.800 -0.094 0.000 2.482 218 Q HA 0.813 5.153 4.340 0.000 0.000 0.286 218 Q C -1.569 174.386 176.000 -0.076 0.000 1.007 218 Q CA -1.111 54.628 55.803 -0.108 0.000 0.801 218 Q CB 1.925 30.601 28.738 -0.103 0.000 1.455 218 Q HN 1.196 nan 8.270 nan 0.000 0.398 219 S N 0.195 115.851 115.700 -0.074 0.000 2.535 219 S HA 0.644 5.114 4.470 0.000 0.000 0.272 219 S C -1.278 173.298 174.600 -0.040 0.000 1.149 219 S CA -1.050 57.122 58.200 -0.047 0.000 0.888 219 S CB 1.910 65.089 63.200 -0.035 0.000 1.110 219 S HN 0.649 nan 8.310 nan 0.000 0.463 220 R N 1.339 121.822 120.500 -0.027 0.000 2.532 220 R HA 0.699 5.039 4.340 0.000 0.000 0.295 220 R C 0.309 176.603 176.300 -0.009 0.000 0.968 220 R CA -0.561 55.526 56.100 -0.022 0.000 0.916 220 R CB 2.006 32.291 30.300 -0.025 0.000 1.124 220 R HN 0.930 nan 8.270 nan 0.000 0.463 221 S N 1.607 117.307 115.700 -0.001 0.000 2.686 221 S HA 0.347 4.817 4.470 0.000 0.000 0.270 221 S C 0.114 174.713 174.600 -0.001 0.000 1.194 221 S CA -0.832 57.377 58.200 0.014 0.000 0.990 221 S CB 1.182 64.404 63.200 0.038 0.000 1.029 221 S HN 0.389 nan 8.310 nan 0.000 0.560 222 K N 0.199 120.605 120.400 0.010 0.000 2.118 222 K HA 0.158 4.478 4.320 0.000 0.000 0.240 222 K C 0.239 176.825 176.600 -0.023 0.000 1.035 222 K CA -0.456 55.829 56.287 -0.004 0.000 0.899 222 K CB 0.212 32.720 32.500 0.013 0.000 1.085 222 K HN 0.679 nan 8.250 nan 0.000 0.498 223 Q N 1.777 121.546 119.800 -0.051 0.000 2.255 223 Q HA -0.080 4.260 4.340 0.000 0.000 0.280 223 Q C 0.599 176.561 176.000 -0.063 0.000 1.068 223 Q CA 0.219 55.956 55.803 -0.110 0.000 0.911 223 Q CB 0.612 29.271 28.738 -0.133 0.000 1.157 223 Q HN 0.590 nan 8.270 nan 0.000 0.380 224 M N 5.307 124.855 119.600 -0.086 0.000 2.447 224 M HA 0.166 4.646 4.480 0.000 0.000 0.266 224 M C -0.774 175.533 176.300 0.013 0.000 1.120 224 M CA 0.658 55.990 55.300 0.054 0.000 1.166 224 M CB 0.556 33.233 32.600 0.129 0.000 1.349 224 M HN 0.588 nan 8.290 nan 0.000 0.463 225 F N -1.813 117.940 119.950 -0.327 0.000 2.645 225 F HA 0.592 5.119 4.527 -0.000 0.000 0.310 225 F C -0.823 174.816 175.800 -0.268 0.000 1.102 225 F CA -1.361 56.328 58.000 -0.519 0.000 0.952 225 F CB 0.870 39.222 39.000 -1.080 0.000 1.326 225 F HN -0.242 nan 8.300 nan 0.000 0.456 226 S N 1.780 117.410 115.700 -0.116 0.000 2.422 226 S HA 0.318 4.788 4.470 0.000 0.000 0.283 226 S C 0.747 175.308 174.600 -0.066 0.000 1.163 226 S CA -0.479 57.641 58.200 -0.134 0.000 1.054 226 S CB 0.697 63.895 63.200 -0.003 0.000 0.967 226 S HN 0.648 nan 8.310 nan 0.000 0.499 227 V N 6.882 126.646 119.914 -0.252 0.000 2.255 227 V HA -0.229 3.891 4.120 0.000 0.000 0.247 227 V C 2.526 178.587 176.094 -0.055 0.000 1.051 227 V CA 2.424 64.665 62.300 -0.098 0.000 1.018 227 V CB -0.732 30.981 31.823 -0.183 0.000 0.641 227 V HN 0.983 nan 8.190 nan 0.000 0.445 228 K N -0.237 120.120 120.400 -0.073 0.000 2.167 228 K HA -0.110 4.210 4.320 0.000 0.000 0.203 228 K C 1.294 177.885 176.600 -0.016 0.000 1.052 228 K CA 1.776 58.029 56.287 -0.057 0.000 0.956 228 K CB -0.236 32.231 32.500 -0.056 0.000 0.735 228 K HN 0.398 nan 8.250 nan 0.000 0.451 229 D N 0.322 120.730 120.400 0.013 0.000 2.367 229 D HA -0.001 4.639 4.640 0.000 0.000 0.207 229 D C -0.269 176.128 176.300 0.163 0.000 1.034 229 D CA 0.616 54.643 54.000 0.045 0.000 0.861 229 D CB 0.489 41.296 40.800 0.011 0.000 0.943 229 D HN 0.231 nan 8.370 nan 0.000 0.515 230 D N 0.306 120.822 120.400 0.194 0.000 3.285 230 D HA 0.094 4.734 4.640 0.000 0.000 0.273 230 D C -2.745 173.615 176.300 0.101 0.000 1.295 230 D CA -1.274 52.904 54.000 0.298 0.000 0.762 230 D CB 1.062 42.074 40.800 0.354 0.000 1.379 230 D HN -0.141 nan 8.370 nan 0.000 0.612 231 P HA 0.157 nan 4.420 nan 0.000 0.268 231 P C 0.385 177.368 177.300 -0.530 0.000 1.204 231 P CA -0.214 62.642 63.100 -0.407 0.000 0.768 231 P CB 0.791 32.031 31.700 -0.767 0.000 0.842 232 I N -0.472 119.668 120.570 -0.717 0.000 2.677 232 I HA 0.454 4.624 4.170 0.000 0.000 0.305 232 I C 0.030 176.029 176.117 -0.198 0.000 0.988 232 I CA -1.114 59.936 61.300 -0.416 0.000 1.260 232 I CB 0.350 37.939 38.000 -0.685 0.000 1.410 232 I HN 0.004 nan 8.210 nan 0.000 0.523 233 F N 2.936 122.902 119.950 0.027 0.000 2.389 233 F HA 0.291 4.818 4.527 0.000 0.000 0.337 233 F C 1.515 177.371 175.800 0.092 0.000 1.112 233 F CA -0.536 57.521 58.000 0.096 0.000 1.192 233 F CB 1.019 40.088 39.000 0.114 0.000 1.185 233 F HN 0.514 nan 8.300 nan 0.000 0.552 234 I N 0.355 121.044 120.570 0.198 0.000 2.676 234 I HA 0.096 4.266 4.170 0.000 0.000 0.259 234 I C 1.073 177.374 176.117 0.306 0.000 1.194 234 I CA 0.270 61.681 61.300 0.184 0.000 1.473 234 I CB -0.701 37.337 38.000 0.063 0.000 1.096 234 I HN 0.432 nan 8.210 nan 0.000 0.443 235 A N 4.319 127.322 122.820 0.306 0.000 2.522 235 A HA 0.361 4.681 4.320 0.000 0.000 0.256 235 A C -2.227 175.462 177.584 0.176 0.000 1.086 235 A CA -0.870 51.325 52.037 0.263 0.000 0.763 235 A CB -0.712 18.450 19.000 0.269 0.000 1.024 235 A HN 0.313 nan 8.150 nan 0.000 0.502 236 P HA 0.456 nan 4.420 nan 0.000 0.287 236 P C -0.758 176.447 177.300 -0.159 0.000 1.270 236 P CA -0.493 62.443 63.100 -0.274 0.000 0.844 236 P CB 1.836 33.397 31.700 -0.232 0.000 1.068 237 A N 3.477 126.170 122.820 -0.211 0.000 2.880 237 A HA 0.331 4.651 4.320 0.000 0.000 0.328 237 A C -0.132 177.459 177.584 0.012 0.000 1.440 237 A CA -0.485 51.542 52.037 -0.017 0.000 1.068 237 A CB -0.899 18.141 19.000 0.067 0.000 1.163 237 A HN 0.479 nan 8.150 nan 0.000 0.510 238 L N 1.728 122.957 121.223 0.011 0.000 2.410 238 L HA 0.303 4.643 4.340 0.000 0.000 0.273 238 L C 0.137 177.053 176.870 0.077 0.000 1.152 238 L CA 0.659 55.529 54.840 0.050 0.000 0.855 238 L CB 0.503 42.605 42.059 0.072 0.000 1.129 238 L HN 0.657 nan 8.230 nan 0.000 0.463 239 D N 1.823 122.265 120.400 0.070 0.000 2.650 239 D HA 0.164 4.804 4.640 0.000 0.000 0.255 239 D C 0.430 176.761 176.300 0.051 0.000 1.135 239 D CA -0.428 53.597 54.000 0.041 0.000 1.099 239 D CB 1.850 42.652 40.800 0.002 0.000 1.273 239 D HN 0.461 nan 8.370 nan 0.000 0.628 240 K N -0.190 120.214 120.400 0.006 0.000 2.025 240 K HA -0.113 4.207 4.320 0.000 0.000 0.207 240 K C 0.985 177.577 176.600 -0.013 0.000 1.049 240 K CA 1.941 58.246 56.287 0.031 0.000 0.933 240 K CB 0.059 32.559 32.500 0.001 0.000 0.714 240 K HN 0.390 nan 8.250 nan 0.000 0.438 241 D N -0.485 119.753 120.400 -0.270 0.000 2.479 241 D HA 0.054 4.694 4.640 0.000 0.000 0.218 241 D C -0.547 174.883 176.300 -1.450 0.000 1.177 241 D CA -0.289 53.280 54.000 -0.718 0.000 0.830 241 D CB 0.142 40.727 40.800 -0.357 0.000 1.014 241 D HN 0.367 nan 8.370 nan 0.000 0.503 242 K N -1.167 118.603 120.400 -1.050 0.000 2.607 242 K HA 0.719 5.039 4.320 0.000 0.000 0.287 242 K C -1.983 174.497 176.600 -0.201 0.000 0.996 242 K CA -1.065 54.800 56.287 -0.704 0.000 0.876 242 K CB 1.610 33.853 32.500 -0.429 0.000 1.496 242 K HN -0.065 nan 8.250 nan 0.000 0.415 243 A N 1.628 124.395 122.820 -0.087 0.000 2.414 243 A HA 0.632 4.952 4.320 0.000 0.000 0.306 243 A C -1.380 175.942 177.584 -0.437 0.000 1.054 243 A CA -0.770 51.154 52.037 -0.188 0.000 0.724 243 A CB 1.002 20.011 19.000 0.015 0.000 1.267 243 A HN 0.718 nan 8.150 nan 0.000 0.418 244 H N 0.348 119.259 119.070 -0.264 0.000 2.573 244 H HA 0.719 5.275 4.556 -0.000 0.000 0.351 244 H C -1.512 173.518 175.328 -0.497 0.000 1.163 244 H CA -0.186 55.775 56.048 -0.146 0.000 1.205 244 H CB 1.609 31.368 29.762 -0.004 0.000 1.605 244 H HN 0.542 nan 8.280 nan 0.000 0.525 245 F N -0.008 120.074 119.950 0.221 0.000 2.588 245 F HA 0.348 4.875 4.527 0.000 0.000 0.310 245 F C -0.032 175.833 175.800 0.108 0.000 1.082 245 F CA -1.082 57.002 58.000 0.140 0.000 0.929 245 F CB 1.786 40.836 39.000 0.084 0.000 1.254 245 F HN 0.244 nan 8.300 nan 0.000 0.455 246 V N -0.522 119.554 119.914 0.270 0.000 2.667 246 V HA 0.905 5.025 4.120 0.000 0.000 0.308 246 V C -0.224 176.078 176.094 0.348 0.000 1.048 246 V CA -0.744 61.658 62.300 0.170 0.000 0.928 246 V CB 1.235 33.056 31.823 -0.004 0.000 1.004 246 V HN 0.871 nan 8.190 nan 0.000 0.444 247 S N 2.295 118.173 115.700 0.296 0.000 2.745 247 S HA 0.492 4.962 4.470 0.000 0.000 0.292 247 S C 0.605 175.426 174.600 0.369 0.000 1.133 247 S CA -0.601 57.774 58.200 0.292 0.000 0.998 247 S CB 0.875 64.229 63.200 0.258 0.000 1.087 247 S HN 0.699 nan 8.310 nan 0.000 0.551 248 Y N -0.632 119.523 120.300 -0.241 0.000 2.315 248 Y HA -0.133 4.417 4.550 -0.000 0.000 0.288 248 Y C 0.888 176.491 175.900 -0.494 0.000 1.154 248 Y CA 1.042 58.859 58.100 -0.471 0.000 1.229 248 Y CB -0.220 37.626 38.460 -1.023 0.000 0.980 248 Y HN 0.690 nan 8.280 nan 0.000 0.540 249 Y N -1.122 119.310 120.300 0.220 0.000 2.607 249 Y HA 0.374 4.924 4.550 0.000 0.000 0.266 249 Y C 1.385 177.329 175.900 0.074 0.000 1.178 249 Y CA 0.048 58.218 58.100 0.117 0.000 1.226 249 Y CB 0.656 39.172 38.460 0.094 0.000 1.144 249 Y HN 0.090 nan 8.280 nan 0.000 0.528 250 G N 0.366 109.247 108.800 0.135 0.000 2.132 250 G HA2 -0.263 3.697 3.960 0.000 0.000 0.234 250 G HA3 -0.263 3.697 3.960 0.000 0.000 0.234 250 G C -0.202 174.691 174.900 -0.012 0.000 0.989 250 G CA -0.366 44.758 45.100 0.040 0.000 0.676 250 G HN 0.304 nan 8.290 nan 0.000 0.522 251 N N -0.647 118.068 118.700 0.026 0.000 2.495 251 N HA 0.623 5.363 4.740 0.000 0.000 0.280 251 N C -0.132 175.220 175.510 -0.264 0.000 1.168 251 N CA -0.185 52.791 53.050 -0.124 0.000 0.978 251 N CB 1.950 40.418 38.487 -0.032 0.000 1.191 251 N HN 0.120 nan 8.380 nan 0.000 0.497 252 V N 2.163 121.706 119.914 -0.618 0.000 2.444 252 V HA 0.383 4.503 4.120 0.000 0.000 0.294 252 V C -1.046 174.781 176.094 -0.446 0.000 1.022 252 V CA -0.655 61.268 62.300 -0.627 0.000 0.850 252 V CB 0.423 31.382 31.823 -1.440 0.000 0.992 252 V HN 0.494 nan 8.190 nan 0.000 0.426 253 Y N 1.947 122.299 120.300 0.087 0.000 2.528 253 Y HA 0.766 5.316 4.550 -0.000 0.000 0.335 253 Y C 0.632 176.760 175.900 0.381 0.000 1.093 253 Y CA -0.592 57.650 58.100 0.236 0.000 1.134 253 Y CB 2.376 40.962 38.460 0.211 0.000 1.253 253 Y HN 0.695 nan 8.280 nan 0.000 0.478 254 S N 0.338 116.347 115.700 0.515 0.000 2.564 254 S HA 0.920 5.390 4.470 0.000 0.000 0.274 254 S C -1.358 173.442 174.600 0.334 0.000 1.124 254 S CA -0.933 57.503 58.200 0.394 0.000 0.869 254 S CB 1.838 65.231 63.200 0.321 0.000 1.105 254 S HN 0.952 nan 8.310 nan 0.000 0.472 255 A N 1.585 124.579 122.820 0.290 0.000 2.410 255 A HA 0.589 4.909 4.320 0.000 0.000 0.289 255 A C -0.847 176.862 177.584 0.207 0.000 1.200 255 A CA -0.548 51.664 52.037 0.292 0.000 0.751 255 A CB 0.569 19.816 19.000 0.411 0.000 1.161 255 A HN 0.832 nan 8.150 nan 0.000 0.459 256 D N 2.766 123.231 120.400 0.109 0.000 2.277 256 D HA 0.385 5.025 4.640 0.000 0.000 0.249 256 D C -0.464 175.867 176.300 0.052 0.000 1.134 256 D CA -0.069 53.908 54.000 -0.039 0.000 0.863 256 D CB 0.496 41.277 40.800 -0.032 0.000 1.143 256 D HN 0.440 nan 8.370 nan 0.000 0.458 257 F N 1.397 121.364 119.950 0.030 0.000 2.841 257 F HA 0.235 4.762 4.527 -0.000 0.000 0.358 257 F C 1.332 177.143 175.800 0.019 0.000 1.261 257 F CA -0.713 57.304 58.000 0.027 0.000 1.233 257 F CB -0.307 38.712 39.000 0.032 0.000 1.008 257 F HN 0.162 nan 8.300 nan 0.000 0.507 258 S N -0.814 114.843 115.700 -0.072 0.000 2.470 258 S HA 0.330 4.800 4.470 0.000 0.000 0.225 258 S C 1.179 175.797 174.600 0.029 0.000 1.006 258 S CA 0.343 58.518 58.200 -0.042 0.000 0.934 258 S CB -0.449 62.696 63.200 -0.092 0.000 0.778 258 S HN 0.507 nan 8.310 nan 0.000 0.517 259 G N 0.682 109.507 108.800 0.043 0.000 2.557 259 G HA2 0.374 4.334 3.960 0.000 0.000 0.302 259 G HA3 0.374 4.334 3.960 0.000 0.000 0.302 259 G C -0.068 174.869 174.900 0.061 0.000 1.311 259 G CA -0.300 44.826 45.100 0.044 0.000 1.030 259 G HN 0.107 nan 8.290 nan 0.000 0.509 260 D N -0.178 120.247 120.400 0.042 0.000 2.123 260 D HA -0.055 4.585 4.640 0.000 0.000 0.196 260 D C 0.593 176.917 176.300 0.040 0.000 0.992 260 D CA 1.141 55.162 54.000 0.035 0.000 0.833 260 D CB 0.308 41.121 40.800 0.021 0.000 0.954 260 D HN 0.318 nan 8.370 nan 0.000 0.455 261 E N 0.432 120.658 120.200 0.043 0.000 2.222 261 E HA 0.361 4.711 4.350 0.000 0.000 0.267 261 E C -0.256 176.390 176.600 0.077 0.000 0.963 261 E CA -0.821 55.606 56.400 0.046 0.000 0.837 261 E CB 2.378 32.098 29.700 0.032 0.000 1.183 261 E HN -0.210 nan 8.360 nan 0.000 0.403 262 V N 2.127 122.093 119.914 0.087 0.000 2.488 262 V HA 0.104 4.224 4.120 0.000 0.000 0.277 262 V C 0.606 176.763 176.094 0.105 0.000 1.046 262 V CA -0.343 62.036 62.300 0.130 0.000 0.986 262 V CB 0.673 32.582 31.823 0.143 0.000 0.989 262 V HN 0.407 nan 8.190 nan 0.000 0.475 263 K N 5.598 126.064 120.400 0.109 0.000 2.281 263 K HA 0.458 4.778 4.320 0.000 0.000 0.272 263 K C -0.686 175.986 176.600 0.120 0.000 1.048 263 K CA -0.367 55.976 56.287 0.092 0.000 0.898 263 K CB 1.493 34.034 32.500 0.068 0.000 1.128 263 K HN 0.621 nan 8.250 nan 0.000 0.460 264 V N 0.630 120.620 119.914 0.126 0.000 2.617 264 V HA 0.600 4.720 4.120 0.000 0.000 0.298 264 V C -0.438 175.763 176.094 0.178 0.000 1.048 264 V CA -0.571 61.830 62.300 0.169 0.000 0.964 264 V CB 1.558 33.476 31.823 0.159 0.000 1.004 264 V HN 0.784 nan 8.190 nan 0.000 0.466 265 D N 0.773 121.314 120.400 0.235 0.000 2.596 265 D HA 0.809 5.449 4.640 0.000 0.000 0.262 265 D C -0.186 176.293 176.300 0.298 0.000 1.210 265 D CA 0.931 55.067 54.000 0.228 0.000 0.873 265 D CB 2.188 43.097 40.800 0.182 0.000 1.408 265 D HN 1.453 nan 8.370 nan 0.000 0.441 266 G N 0.643 109.576 108.800 0.221 0.000 2.357 266 G HA2 0.242 4.202 3.960 0.000 0.000 0.643 266 G HA3 0.242 4.202 3.960 0.000 0.000 0.643 266 G C -3.059 171.839 174.900 -0.004 0.000 1.358 266 G CA -0.608 44.531 45.100 0.065 0.000 0.986 266 G HN 0.452 nan 8.290 nan 0.000 0.620 267 P HA 0.763 nan 4.420 nan 0.000 0.290 267 P C -1.000 176.269 177.300 -0.051 0.000 1.302 267 P CA -0.781 62.011 63.100 -0.513 0.000 0.893 267 P CB 1.424 32.511 31.700 -1.022 0.000 1.272 268 W N -1.180 120.012 121.300 -0.179 0.000 3.032 268 W HA 0.559 5.219 4.660 -0.000 0.000 0.335 268 W C -1.215 175.276 176.519 -0.046 0.000 1.154 268 W CA -1.096 56.204 57.345 -0.075 0.000 1.204 268 W CB 0.928 30.360 29.460 -0.047 0.000 1.416 268 W HN 0.289 nan 8.180 nan 0.000 0.521 269 S N 1.467 117.289 115.700 0.203 0.000 2.562 269 S HA 0.358 4.828 4.470 0.000 0.000 0.275 269 S C 0.764 175.456 174.600 0.153 0.000 1.281 269 S CA -0.547 57.703 58.200 0.082 0.000 1.045 269 S CB 0.874 64.144 63.200 0.116 0.000 0.962 269 S HN 0.514 nan 8.310 nan 0.000 0.503 270 L N 4.029 125.269 121.223 0.028 0.000 2.554 270 L HA 0.251 4.591 4.340 0.000 0.000 0.226 270 L C -0.091 176.962 176.870 0.305 0.000 1.137 270 L CA 0.304 55.235 54.840 0.152 0.000 0.863 270 L CB -0.371 41.747 42.059 0.098 0.000 0.985 270 L HN 0.452 nan 8.230 nan 0.000 0.451 271 L N 0.404 121.769 121.223 0.238 0.000 2.322 271 L HA 0.361 4.701 4.340 0.000 0.000 0.279 271 L C -0.360 176.600 176.870 0.150 0.000 1.036 271 L CA -0.820 54.167 54.840 0.245 0.000 0.807 271 L CB 1.112 43.310 42.059 0.232 0.000 1.226 271 L HN 0.104 nan 8.230 nan 0.000 0.433 272 N N -0.744 118.018 118.700 0.103 0.000 2.459 272 N HA 0.211 4.951 4.740 0.000 0.000 0.288 272 N C 0.088 175.644 175.510 0.076 0.000 1.186 272 N CA -0.799 52.285 53.050 0.058 0.000 0.917 272 N CB 0.662 39.148 38.487 -0.002 0.000 1.219 272 N HN 0.404 nan 8.380 nan 0.000 0.525 273 D N -0.199 120.237 120.400 0.059 0.000 2.172 273 D HA -0.248 4.392 4.640 0.000 0.000 0.196 273 D C 1.164 177.512 176.300 0.080 0.000 0.999 273 D CA 1.459 55.498 54.000 0.065 0.000 0.856 273 D CB -0.052 40.775 40.800 0.046 0.000 0.934 273 D HN 0.843 nan 8.370 nan 0.000 0.453 274 E N 0.260 120.501 120.200 0.067 0.000 2.051 274 E HA -0.176 4.174 4.350 0.000 0.000 0.192 274 E C 1.356 178.047 176.600 0.152 0.000 0.991 274 E CA 1.154 57.603 56.400 0.082 0.000 0.799 274 E CB 0.199 29.922 29.700 0.037 0.000 0.748 274 E HN 0.164 nan 8.360 nan 0.000 0.449 275 D N 0.544 121.041 120.400 0.162 0.000 2.117 275 D HA -0.150 4.490 4.640 0.000 0.000 0.197 275 D C 1.819 178.338 176.300 0.366 0.000 0.987 275 D CA 1.050 55.239 54.000 0.315 0.000 0.829 275 D CB -0.135 40.855 40.800 0.318 0.000 0.961 275 D HN 0.199 nan 8.370 nan 0.000 0.460 276 K N 0.843 121.382 120.400 0.231 0.000 2.152 276 K HA -0.075 4.245 4.320 0.000 0.000 0.206 276 K C 2.139 178.831 176.600 0.153 0.000 1.048 276 K CA 1.095 57.489 56.287 0.178 0.000 0.933 276 K CB -0.061 32.513 32.500 0.124 0.000 0.721 276 K HN 0.031 nan 8.250 nan 0.000 0.447 277 A N 1.686 124.596 122.820 0.151 0.000 1.930 277 A HA -0.133 4.187 4.320 0.000 0.000 0.217 277 A C 1.850 179.508 177.584 0.124 0.000 1.175 277 A CA 1.290 53.397 52.037 0.118 0.000 0.627 277 A CB -0.103 18.960 19.000 0.105 0.000 0.815 277 A HN 0.044 nan 8.150 nan 0.000 0.443 278 K N -0.424 120.097 120.400 0.202 0.000 2.432 278 K HA -0.012 4.308 4.320 0.000 0.000 0.196 278 K C -0.197 176.402 176.600 -0.003 0.000 1.038 278 K CA 0.292 56.668 56.287 0.148 0.000 0.986 278 K CB -0.177 32.540 32.500 0.361 0.000 0.782 278 K HN 0.542 nan 8.250 nan 0.000 0.485 279 N N 0.057 118.804 118.700 0.079 0.000 2.783 279 N HA -0.166 4.574 4.740 0.000 0.000 0.247 279 N C -1.194 174.268 175.510 -0.081 0.000 1.089 279 N CA 0.556 53.612 53.050 0.010 0.000 0.690 279 N CB -1.506 36.956 38.487 -0.042 0.000 0.991 279 N HN 0.190 nan 8.380 nan 0.000 0.552 280 W N 0.562 121.843 121.300 -0.032 0.000 2.216 280 W HA 0.409 5.069 4.660 0.000 0.000 0.326 280 W C 1.098 177.454 176.519 -0.272 0.000 1.319 280 W CA -0.097 57.152 57.345 -0.161 0.000 1.213 280 W CB 0.767 30.192 29.460 -0.059 0.000 1.171 280 W HN 0.060 nan 8.180 nan 0.000 0.557 281 V N 1.484 121.232 119.914 -0.276 0.000 3.188 281 V HA 0.666 4.786 4.120 0.000 0.000 0.305 281 V C -2.905 172.947 176.094 -0.402 0.000 1.232 281 V CA -3.412 58.714 62.300 -0.291 0.000 1.043 281 V CB 1.773 33.447 31.823 -0.249 0.000 1.068 281 V HN 0.236 nan 8.190 nan 0.000 0.439 282 P HA 0.628 nan 4.420 nan 0.000 0.274 282 P C -0.215 176.999 177.300 -0.142 0.000 1.237 282 P CA 0.277 63.204 63.100 -0.287 0.000 0.793 282 P CB 1.098 32.546 31.700 -0.419 0.000 0.977 283 G N -0.437 108.322 108.800 -0.070 0.000 2.759 283 G HA2 0.647 4.607 3.960 0.000 0.000 0.297 283 G HA3 0.647 4.607 3.960 0.000 0.000 0.297 283 G C -0.834 174.087 174.900 0.035 0.000 1.434 283 G CA -0.203 44.961 45.100 0.108 0.000 0.980 283 G HN 0.795 nan 8.290 nan 0.000 0.531 284 G N -0.204 108.605 108.800 0.014 0.000 2.302 284 G HA2 0.299 4.259 3.960 0.000 0.000 0.276 284 G HA3 0.299 4.259 3.960 0.000 0.000 0.276 284 G C -0.501 174.382 174.900 -0.028 0.000 1.316 284 G CA 0.088 45.221 45.100 0.054 0.000 0.988 284 G HN 0.719 nan 8.290 nan 0.000 0.479 285 Y N 0.002 120.447 120.300 0.242 0.000 3.052 285 Y HA 0.398 4.948 4.550 0.000 0.000 0.176 285 Y C 1.685 177.833 175.900 0.413 0.000 0.916 285 Y CA 0.317 58.618 58.100 0.334 0.000 1.720 285 Y CB 0.201 38.637 38.460 -0.039 0.000 1.299 285 Y HN 0.322 nan 8.280 nan 0.000 0.428 286 N N 3.014 121.980 118.700 0.442 0.000 3.245 286 N HA 0.114 4.854 4.740 0.000 0.000 0.296 286 N C 0.877 176.542 175.510 0.258 0.000 1.254 286 N CA 0.159 53.412 53.050 0.338 0.000 1.190 286 N CB 0.132 38.763 38.487 0.239 0.000 1.460 286 N HN 0.494 nan 8.380 nan 0.000 0.538 287 L N -0.962 120.386 121.223 0.207 0.000 2.509 287 L HA 0.203 4.543 4.340 0.000 0.000 0.222 287 L C 0.459 177.189 176.870 -0.234 0.000 1.123 287 L CA 0.255 55.134 54.840 0.065 0.000 0.856 287 L CB 0.039 42.111 42.059 0.021 0.000 0.985 287 L HN -0.081 nan 8.230 nan 0.000 0.456 288 V N -1.983 117.860 119.914 -0.119 0.000 3.019 288 V HA 1.029 5.149 4.120 0.000 0.000 0.317 288 V C 0.002 176.060 176.094 -0.061 0.000 1.094 288 V CA 0.074 62.298 62.300 -0.126 0.000 1.000 288 V CB 1.231 33.010 31.823 -0.072 0.000 1.060 288 V HN 0.137 nan 8.190 nan 0.000 0.443 289 G N 1.143 109.938 108.800 -0.007 0.000 2.720 289 G HA2 0.646 4.606 3.960 0.000 0.000 0.295 289 G HA3 0.646 4.606 3.960 0.000 0.000 0.295 289 G C -2.271 172.728 174.900 0.165 0.000 1.437 289 G CA -0.732 44.396 45.100 0.047 0.000 0.886 289 G HN 1.158 nan 8.290 nan 0.000 0.509 290 L N 1.172 122.485 121.223 0.149 0.000 2.406 290 L HA 0.504 4.844 4.340 0.000 0.000 0.272 290 L C -0.400 176.595 176.870 0.207 0.000 0.980 290 L CA -0.774 54.186 54.840 0.200 0.000 0.831 290 L CB 1.768 43.918 42.059 0.151 0.000 1.253 290 L HN 0.738 nan 8.230 nan 0.000 0.406 291 H N 5.220 124.397 119.070 0.179 0.000 2.872 291 H HA 0.251 4.807 4.556 -0.000 0.000 0.273 291 H C 0.633 176.009 175.328 0.081 0.000 1.205 291 H CA -0.150 55.965 56.048 0.113 0.000 1.342 291 H CB 0.707 30.581 29.762 0.186 0.000 1.469 291 H HN 0.742 nan 8.280 nan 0.000 0.487 292 R N 2.797 123.214 120.500 -0.138 0.000 2.113 292 R HA -0.191 4.149 4.340 0.000 0.000 0.244 292 R C 2.222 178.407 176.300 -0.192 0.000 1.142 292 R CA 1.655 57.681 56.100 -0.123 0.000 0.953 292 R CB -0.179 30.067 30.300 -0.089 0.000 0.860 292 R HN 0.572 nan 8.270 nan 0.000 0.438 293 A N 0.673 123.257 122.820 -0.392 0.000 2.070 293 A HA -0.160 4.160 4.320 0.000 0.000 0.220 293 A C 2.069 179.575 177.584 -0.130 0.000 1.159 293 A CA 1.907 53.782 52.037 -0.269 0.000 0.656 293 A CB -0.237 18.578 19.000 -0.308 0.000 0.800 293 A HN 0.486 nan 8.150 nan 0.000 0.453 294 S N -3.887 111.768 115.700 -0.077 0.000 2.549 294 S HA 0.428 4.898 4.470 0.000 0.000 0.225 294 S C 1.399 176.035 174.600 0.060 0.000 1.039 294 S CA 1.105 59.360 58.200 0.091 0.000 0.942 294 S CB 0.139 63.521 63.200 0.303 0.000 0.881 294 S HN 1.868 nan 8.310 nan 0.000 0.503 295 G N 1.837 110.667 108.800 0.049 0.000 2.159 295 G HA2 -0.251 3.709 3.960 0.000 0.000 0.256 295 G HA3 -0.251 3.709 3.960 0.000 0.000 0.256 295 G C 0.036 174.954 174.900 0.030 0.000 0.977 295 G CA -0.070 45.051 45.100 0.035 0.000 0.652 295 G HN 0.562 nan 8.290 nan 0.000 0.531 296 R N -0.110 120.439 120.500 0.082 0.000 2.389 296 R HA 0.535 4.875 4.340 0.000 0.000 0.295 296 R C 0.416 176.704 176.300 -0.021 0.000 1.075 296 R CA -0.113 55.975 56.100 -0.020 0.000 1.005 296 R CB 0.845 31.123 30.300 -0.037 0.000 0.987 296 R HN 0.420 nan 8.270 nan 0.000 0.452 297 M N 3.343 122.843 119.600 -0.167 0.000 2.336 297 M HA 0.329 4.809 4.480 0.000 0.000 0.342 297 M C -1.574 174.543 176.300 -0.305 0.000 1.128 297 M CA -0.666 54.583 55.300 -0.086 0.000 1.016 297 M CB 1.082 33.646 32.600 -0.060 0.000 1.665 297 M HN 0.419 nan 8.290 nan 0.000 0.445 298 Y N 3.329 123.584 120.300 -0.075 0.000 2.360 298 Y HA 0.668 5.218 4.550 -0.000 0.000 0.337 298 Y C -0.542 175.233 175.900 -0.210 0.000 1.039 298 Y CA -0.800 57.221 58.100 -0.131 0.000 1.109 298 Y CB 1.668 40.017 38.460 -0.184 0.000 1.201 298 Y HN 0.390 nan 8.280 nan 0.000 0.458 299 V N 3.634 123.492 119.914 -0.094 0.000 2.760 299 V HA 0.356 4.476 4.120 0.000 0.000 0.309 299 V C -0.774 175.235 176.094 -0.141 0.000 1.077 299 V CA -1.510 60.678 62.300 -0.188 0.000 0.910 299 V CB 1.896 33.628 31.823 -0.151 0.000 1.008 299 V HN 0.599 nan 8.190 nan 0.000 0.424 300 F N 4.974 124.864 119.950 -0.099 0.000 2.438 300 F HA 0.551 5.078 4.527 -0.000 0.000 0.356 300 F C 0.503 176.210 175.800 -0.154 0.000 1.099 300 F CA -0.141 57.813 58.000 -0.075 0.000 1.185 300 F CB 0.954 39.930 39.000 -0.039 0.000 1.115 300 F HN 0.254 nan 8.300 nan 0.000 0.526 301 M N 4.310 123.951 119.600 0.070 0.000 2.690 301 M HA 0.427 4.907 4.480 0.000 0.000 0.302 301 M C -0.589 175.865 176.300 0.257 0.000 1.234 301 M CA -0.632 54.622 55.300 -0.077 0.000 0.853 301 M CB 2.477 34.651 32.600 -0.710 0.000 1.748 301 M HN 0.609 nan 8.290 nan 0.000 0.469 302 H N -0.698 118.412 119.070 0.068 0.000 3.046 302 H HA 0.624 5.180 4.556 -0.000 0.000 0.363 302 H C -3.362 171.509 175.328 -0.761 0.000 1.203 302 H CA -1.634 54.274 56.048 -0.234 0.000 1.169 302 H CB 1.920 31.615 29.762 -0.112 0.000 1.851 302 H HN 0.292 nan 8.280 nan 0.000 0.546 303 P HA 0.091 nan 4.420 nan 0.000 0.279 303 P C -0.498 176.507 177.300 -0.491 0.000 1.276 303 P CA -0.093 62.226 63.100 -1.301 0.000 0.801 303 P CB 0.960 31.900 31.700 -1.268 0.000 1.127 304 D N -2.129 118.052 120.400 -0.364 0.000 2.708 304 D HA -0.132 4.508 4.640 0.000 0.000 0.236 304 D C 0.795 177.024 176.300 -0.119 0.000 1.146 304 D CA 1.247 55.148 54.000 -0.165 0.000 0.662 304 D CB -1.846 38.894 40.800 -0.101 0.000 1.059 304 D HN 0.640 nan 8.370 nan 0.000 0.428 305 G N 0.294 108.991 108.800 -0.172 0.000 2.594 305 G HA2 0.419 4.379 3.960 0.000 0.000 0.243 305 G HA3 0.419 4.379 3.960 0.000 0.000 0.243 305 G C 0.416 175.276 174.900 -0.068 0.000 1.229 305 G CA 0.270 45.290 45.100 -0.134 0.000 0.843 305 G HN 0.431 nan 8.290 nan 0.000 0.578 306 K N -0.565 119.799 120.400 -0.061 0.000 2.735 306 K HA 0.383 4.703 4.320 0.000 0.000 0.295 306 K C -1.068 175.529 176.600 -0.004 0.000 1.052 306 K CA -1.041 55.241 56.287 -0.009 0.000 0.853 306 K CB 0.731 33.218 32.500 -0.022 0.000 1.535 306 K HN 0.381 nan 8.250 nan 0.000 0.383 307 E N 0.319 120.550 120.200 0.051 0.000 2.652 307 E HA 0.207 4.557 4.350 0.000 0.000 0.255 307 E C 0.872 177.499 176.600 0.044 0.000 0.952 307 E CA 2.448 58.894 56.400 0.077 0.000 0.947 307 E CB -0.172 29.578 29.700 0.083 0.000 0.912 307 E HN 0.897 nan 8.360 nan 0.000 0.489 308 G N 2.999 111.867 108.800 0.113 0.000 2.157 308 G HA2 -0.275 3.685 3.960 0.000 0.000 0.239 308 G HA3 -0.275 3.685 3.960 0.000 0.000 0.239 308 G C 0.678 175.482 174.900 -0.160 0.000 0.982 308 G CA 0.681 45.819 45.100 0.064 0.000 0.650 308 G HN 0.947 nan 8.290 nan 0.000 0.527 309 T N -2.030 112.331 114.554 -0.323 0.000 3.132 309 T HA 0.240 4.590 4.350 0.000 0.000 0.274 309 T C 1.727 176.177 174.700 -0.418 0.000 1.011 309 T CA 0.839 62.381 62.100 -0.931 0.000 0.899 309 T CB -0.430 67.608 68.868 -1.384 0.000 1.089 309 T HN 0.726 nan 8.240 nan 0.000 0.543 310 H N 1.417 120.311 119.070 -0.293 0.000 2.560 310 H HA 0.193 4.749 4.556 -0.000 0.000 0.283 310 H C 0.816 176.125 175.328 -0.032 0.000 1.028 310 H CA 0.493 56.398 56.048 -0.238 0.000 1.221 310 H CB -0.170 28.997 29.762 -0.992 0.000 1.363 310 H HN 0.431 nan 8.280 nan 0.000 0.594 311 K N -0.026 120.208 120.400 -0.277 0.000 2.469 311 K HA 0.159 4.479 4.320 0.000 0.000 0.204 311 K C -0.617 175.970 176.600 -0.022 0.000 1.047 311 K CA -0.524 55.609 56.287 -0.256 0.000 1.072 311 K CB 0.641 32.846 32.500 -0.491 0.000 0.863 311 K HN -0.081 nan 8.250 nan 0.000 0.530 312 F N 2.412 122.162 119.950 -0.333 0.000 2.496 312 F HA 0.133 4.660 4.527 0.000 0.000 0.344 312 F C -1.772 173.850 175.800 -0.297 0.000 1.155 312 F CA -2.347 55.422 58.000 -0.385 0.000 1.302 312 F CB -0.077 38.485 39.000 -0.729 0.000 1.159 312 F HN -0.116 nan 8.300 nan 0.000 0.595 313 P HA 0.157 nan 4.420 nan 0.000 0.269 313 P C -1.216 176.015 177.300 -0.114 0.000 1.209 313 P CA -0.239 62.769 63.100 -0.154 0.000 0.776 313 P CB 0.477 32.074 31.700 -0.173 0.000 0.876 314 A N 2.619 125.325 122.820 -0.190 0.000 2.454 314 A HA 0.406 4.726 4.320 0.000 0.000 0.260 314 A C 1.384 178.996 177.584 0.047 0.000 1.106 314 A CA 0.404 52.401 52.037 -0.068 0.000 0.780 314 A CB -0.302 18.536 19.000 -0.271 0.000 1.044 314 A HN 0.590 nan 8.150 nan 0.000 0.498 315 A N 2.644 125.573 122.820 0.182 0.000 1.935 315 A HA 0.237 4.557 4.320 0.000 0.000 0.214 315 A C 0.814 178.586 177.584 0.314 0.000 1.178 315 A CA 1.143 53.316 52.037 0.227 0.000 0.640 315 A CB -0.018 19.132 19.000 0.249 0.000 0.825 315 A HN 0.839 nan 8.150 nan 0.000 0.447 316 E N -1.841 118.594 120.200 0.392 0.000 2.449 316 E HA 0.607 4.957 4.350 0.000 0.000 0.278 316 E C -1.631 175.187 176.600 0.363 0.000 0.992 316 E CA -0.737 55.889 56.400 0.378 0.000 0.807 316 E CB 1.768 31.745 29.700 0.462 0.000 1.350 316 E HN 0.194 nan 8.360 nan 0.000 0.462 317 I N 1.437 122.222 120.570 0.359 0.000 2.382 317 I HA 0.318 4.488 4.170 0.000 0.000 0.286 317 I C -1.091 175.250 176.117 0.373 0.000 1.002 317 I CA -0.712 60.781 61.300 0.323 0.000 1.135 317 I CB 0.773 38.900 38.000 0.213 0.000 1.288 317 I HN 0.276 nan 8.210 nan 0.000 0.448 318 W N 5.758 127.036 121.300 -0.037 0.000 2.417 318 W HA 0.493 5.153 4.660 -0.000 0.000 0.317 318 W C -0.432 175.969 176.519 -0.197 0.000 1.121 318 W CA -0.923 56.349 57.345 -0.122 0.000 1.208 318 W CB 1.298 30.677 29.460 -0.136 0.000 1.253 318 W HN 0.012 nan 8.180 nan 0.000 0.533 319 V N 6.265 126.136 119.914 -0.072 0.000 2.334 319 V HA 0.366 4.486 4.120 0.000 0.000 0.281 319 V C 0.090 176.042 176.094 -0.235 0.000 1.016 319 V CA -0.896 61.192 62.300 -0.354 0.000 0.832 319 V CB 0.655 32.230 31.823 -0.414 0.000 0.999 319 V HN 0.335 nan 8.190 nan 0.000 0.439 320 M N 3.304 122.783 119.600 -0.201 0.000 2.472 320 M HA 0.462 4.942 4.480 0.000 0.000 0.331 320 M C -0.309 175.939 176.300 -0.087 0.000 1.170 320 M CA -0.643 54.621 55.300 -0.059 0.000 1.009 320 M CB 1.548 34.212 32.600 0.106 0.000 1.672 320 M HN 0.575 nan 8.290 nan 0.000 0.453 321 D N 2.127 122.491 120.400 -0.061 0.000 2.396 321 D HA 0.124 4.764 4.640 0.000 0.000 0.225 321 D C 0.986 177.233 176.300 -0.090 0.000 1.121 321 D CA 0.011 53.963 54.000 -0.081 0.000 0.853 321 D CB 1.156 41.901 40.800 -0.092 0.000 1.043 321 D HN 0.780 nan 8.370 nan 0.000 0.500 322 T N 1.669 116.176 114.554 -0.079 0.000 2.929 322 T HA -0.167 4.183 4.350 0.000 0.000 0.271 322 T C 1.528 176.120 174.700 -0.181 0.000 1.085 322 T CA 0.973 63.003 62.100 -0.117 0.000 1.125 322 T CB 0.092 68.836 68.868 -0.207 0.000 0.874 322 T HN 0.335 nan 8.240 nan 0.000 0.494 323 K N 1.182 121.500 120.400 -0.136 0.000 1.984 323 K HA -0.033 4.287 4.320 0.000 0.000 0.209 323 K C 2.727 179.211 176.600 -0.193 0.000 1.046 323 K CA 1.821 58.029 56.287 -0.131 0.000 0.934 323 K CB -0.420 32.030 32.500 -0.084 0.000 0.717 323 K HN 0.604 nan 8.250 nan 0.000 0.438 324 T N -1.501 112.937 114.554 -0.194 0.000 3.081 324 T HA 0.154 4.504 4.350 0.000 0.000 0.250 324 T C 0.206 174.717 174.700 -0.314 0.000 1.100 324 T CA -0.174 61.800 62.100 -0.211 0.000 1.038 324 T CB -0.104 68.678 68.868 -0.144 0.000 0.962 324 T HN 0.140 nan 8.240 nan 0.000 0.516 325 K N 1.153 121.281 120.400 -0.453 0.000 3.117 325 K HA -0.165 4.155 4.320 0.000 0.000 0.269 325 K C -0.579 175.851 176.600 -0.284 0.000 1.098 325 K CA 0.506 56.332 56.287 -0.768 0.000 0.785 325 K CB -1.686 30.121 32.500 -1.155 0.000 1.242 325 K HN 0.667 nan 8.250 nan 0.000 0.491 326 Q N 0.159 119.880 119.800 -0.132 0.000 2.423 326 Q HA 0.372 4.712 4.340 0.000 0.000 0.278 326 Q C -0.600 175.371 176.000 -0.048 0.000 1.097 326 Q CA -1.137 54.630 55.803 -0.061 0.000 0.809 326 Q CB 2.373 31.054 28.738 -0.095 0.000 1.391 326 Q HN 0.187 nan 8.270 nan 0.000 0.428 327 R N 1.213 121.664 120.500 -0.081 0.000 2.316 327 R HA 0.123 4.463 4.340 0.000 0.000 0.314 327 R C 0.610 176.804 176.300 -0.176 0.000 1.069 327 R CA 0.065 56.070 56.100 -0.158 0.000 0.959 327 R CB 0.503 30.610 30.300 -0.322 0.000 0.987 327 R HN 0.653 nan 8.270 nan 0.000 0.446 328 V N 1.199 121.014 119.914 -0.164 0.000 3.565 328 V HA 0.505 4.625 4.120 0.000 0.000 0.260 328 V C 0.341 176.343 176.094 -0.152 0.000 1.231 328 V CA 0.672 62.886 62.300 -0.143 0.000 1.100 328 V CB 0.019 31.772 31.823 -0.117 0.000 0.807 328 V HN 0.713 nan 8.190 nan 0.000 0.454 329 A N 1.127 123.833 122.820 -0.189 0.000 2.597 329 A HA 0.856 5.176 4.320 0.000 0.000 0.292 329 A C -0.801 176.660 177.584 -0.205 0.000 1.057 329 A CA -0.782 51.155 52.037 -0.168 0.000 0.674 329 A CB 1.373 20.314 19.000 -0.098 0.000 1.278 329 A HN 0.684 nan 8.150 nan 0.000 0.416 330 R N 0.791 121.188 120.500 -0.172 0.000 2.548 330 R HA 0.787 5.127 4.340 0.000 0.000 0.280 330 R C -1.135 175.160 176.300 -0.008 0.000 1.061 330 R CA -0.507 55.511 56.100 -0.138 0.000 0.915 330 R CB 1.084 31.144 30.300 -0.400 0.000 1.210 330 R HN 1.298 nan 8.270 nan 0.000 0.442 331 I N -1.998 118.627 120.570 0.093 0.000 3.174 331 I HA 0.660 4.830 4.170 0.000 0.000 0.313 331 I C -2.806 173.419 176.117 0.180 0.000 1.155 331 I CA -3.419 57.954 61.300 0.121 0.000 0.977 331 I CB 2.548 40.624 38.000 0.126 0.000 1.248 331 I HN 0.315 nan 8.210 nan 0.000 0.453 332 P HA 0.112 nan 4.420 nan 0.000 0.266 332 P C 0.515 177.942 177.300 0.212 0.000 1.195 332 P CA 0.247 63.462 63.100 0.191 0.000 0.768 332 P CB 0.762 32.559 31.700 0.161 0.000 0.838 333 G N 2.801 111.718 108.800 0.195 0.000 2.683 333 G HA2 -0.103 3.857 3.960 0.000 0.000 0.213 333 G HA3 -0.103 3.857 3.960 0.000 0.000 0.213 333 G C 0.446 175.398 174.900 0.087 0.000 1.142 333 G CA -0.192 45.005 45.100 0.161 0.000 0.793 333 G HN 0.523 nan 8.290 nan 0.000 0.534 334 R N 0.036 120.590 120.500 0.090 0.000 3.758 334 R HA -0.165 4.175 4.340 0.000 0.000 0.299 334 R C -0.062 176.227 176.300 -0.019 0.000 1.182 334 R CA 0.623 56.755 56.100 0.054 0.000 0.809 334 R CB -1.893 28.466 30.300 0.099 0.000 1.249 334 R HN 0.390 nan 8.270 nan 0.000 0.497 335 D N -3.123 117.242 120.400 -0.057 0.000 3.012 335 D HA -0.199 4.441 4.640 0.000 0.000 0.222 335 D C 0.375 176.545 176.300 -0.217 0.000 1.167 335 D CA 1.577 55.504 54.000 -0.122 0.000 0.854 335 D CB -1.191 39.554 40.800 -0.092 0.000 1.107 335 D HN 0.672 nan 8.370 nan 0.000 0.421 336 A N -0.336 122.278 122.820 -0.344 0.000 2.406 336 A HA 0.486 4.806 4.320 0.000 0.000 0.243 336 A C 1.418 178.553 177.584 -0.750 0.000 1.082 336 A CA 0.167 51.889 52.037 -0.525 0.000 0.786 336 A CB 0.453 19.075 19.000 -0.630 0.000 1.029 336 A HN 0.260 nan 8.150 nan 0.000 0.495 337 L N -0.166 120.805 121.223 -0.421 0.000 2.902 337 L HA 0.210 4.550 4.340 0.000 0.000 0.254 337 L C 0.326 177.342 176.870 0.242 0.000 1.115 337 L CA 0.336 55.111 54.840 -0.107 0.000 0.947 337 L CB 0.518 42.619 42.059 0.070 0.000 1.369 337 L HN 0.593 nan 8.230 nan 0.000 0.538 338 S N 0.382 116.266 115.700 0.306 0.000 2.564 338 S HA 0.822 5.292 4.470 0.000 0.000 0.274 338 S C -0.680 174.196 174.600 0.460 0.000 1.124 338 S CA -0.640 57.815 58.200 0.424 0.000 0.869 338 S CB 2.602 65.913 63.200 0.185 0.000 1.105 338 S HN 0.183 nan 8.310 nan 0.000 0.472 339 M N -0.144 119.626 119.600 0.283 0.000 2.843 339 M HA 0.884 5.364 4.480 0.000 0.000 0.273 339 M C -1.027 175.323 176.300 0.083 0.000 1.286 339 M CA -0.604 54.786 55.300 0.150 0.000 0.807 339 M CB 2.023 34.595 32.600 -0.046 0.000 1.684 339 M HN 0.509 nan 8.290 nan 0.000 0.458 340 T N 0.565 115.162 114.554 0.071 0.000 2.977 340 T HA 0.621 4.971 4.350 0.000 0.000 0.345 340 T C -2.021 172.766 174.700 0.146 0.000 1.562 340 T CA -0.660 61.506 62.100 0.111 0.000 1.090 340 T CB 1.452 70.410 68.868 0.150 0.000 1.383 340 T HN 0.633 nan 8.240 nan 0.000 0.484 341 I N 3.298 123.930 120.570 0.103 0.000 2.562 341 I HA 0.479 4.649 4.170 0.000 0.000 0.301 341 I C -0.199 175.893 176.117 -0.041 0.000 1.003 341 I CA -0.663 60.649 61.300 0.020 0.000 1.127 341 I CB 1.913 39.893 38.000 -0.035 0.000 1.304 341 I HN 0.718 nan 8.210 nan 0.000 0.446 342 D N 5.412 125.639 120.400 -0.288 0.000 2.453 342 D HA 0.165 4.805 4.640 0.000 0.000 0.238 342 D C 0.665 176.825 176.300 -0.233 0.000 1.088 342 D CA -0.359 53.350 54.000 -0.484 0.000 0.854 342 D CB 1.498 41.503 40.800 -1.326 0.000 1.076 342 D HN 0.358 nan 8.370 nan 0.000 0.533 343 Q N 2.070 121.806 119.800 -0.107 0.000 2.061 343 Q HA -0.203 4.137 4.340 0.000 0.000 0.204 343 Q C 1.623 177.598 176.000 -0.041 0.000 0.984 343 Q CA 1.274 57.051 55.803 -0.044 0.000 0.846 343 Q CB -0.056 28.644 28.738 -0.064 0.000 0.902 343 Q HN 0.660 nan 8.270 nan 0.000 0.421 344 Q N 0.447 120.206 119.800 -0.069 0.000 2.061 344 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 344 Q C 1.708 177.687 176.000 -0.035 0.000 0.984 344 Q CA 1.381 57.159 55.803 -0.043 0.000 0.846 344 Q CB 0.085 28.802 28.738 -0.036 0.000 0.902 344 Q HN 0.173 nan 8.270 nan 0.000 0.421 345 R N 0.392 120.837 120.500 -0.091 0.000 2.334 345 R HA 0.109 4.449 4.340 0.000 0.000 0.216 345 R C -0.241 176.021 176.300 -0.063 0.000 0.905 345 R CA 0.009 56.069 56.100 -0.067 0.000 1.064 345 R CB 0.179 30.429 30.300 -0.084 0.000 1.046 345 R HN 0.259 nan 8.270 nan 0.000 0.508 346 N N 0.696 119.368 118.700 -0.047 0.000 2.727 346 N HA -0.198 4.542 4.740 0.000 0.000 0.251 346 N C -1.062 174.366 175.510 -0.138 0.000 1.040 346 N CA 0.819 53.849 53.050 -0.033 0.000 0.712 346 N CB -1.383 37.110 38.487 0.009 0.000 0.912 346 N HN 0.228 nan 8.380 nan 0.000 0.545 347 L N -0.121 120.979 121.223 -0.204 0.000 2.323 347 L HA 0.704 5.044 4.340 0.000 0.000 0.265 347 L C 0.274 177.086 176.870 -0.098 0.000 1.012 347 L CA -0.705 54.041 54.840 -0.155 0.000 0.820 347 L CB 2.177 44.100 42.059 -0.226 0.000 1.334 347 L HN 0.163 nan 8.230 nan 0.000 0.427 348 M N 2.811 122.432 119.600 0.034 0.000 2.326 348 M HA 0.559 5.039 4.480 0.000 0.000 0.292 348 M C -2.139 174.281 176.300 0.201 0.000 1.081 348 M CA -0.442 54.881 55.300 0.038 0.000 0.919 348 M CB 2.066 34.528 32.600 -0.230 0.000 1.634 348 M HN 0.458 nan 8.290 nan 0.000 0.451 349 L N 4.119 125.449 121.223 0.180 0.000 2.333 349 L HA 0.657 4.997 4.340 0.000 0.000 0.280 349 L C -0.159 176.803 176.870 0.154 0.000 1.004 349 L CA -0.728 54.183 54.840 0.118 0.000 0.820 349 L CB 2.165 44.161 42.059 -0.105 0.000 1.247 349 L HN 0.799 nan 8.230 nan 0.000 0.416 350 T N 0.762 115.458 114.554 0.236 0.000 2.918 350 T HA 0.743 5.093 4.350 0.000 0.000 0.286 350 T C -0.844 173.953 174.700 0.162 0.000 1.026 350 T CA -0.766 61.517 62.100 0.305 0.000 1.031 350 T CB 2.305 71.442 68.868 0.448 0.000 1.046 350 T HN 0.314 nan 8.240 nan 0.000 0.479 351 L N 2.257 123.555 121.223 0.124 0.000 2.438 351 L HA 0.589 4.929 4.340 0.000 0.000 0.270 351 L C -0.363 176.489 176.870 -0.030 0.000 0.972 351 L CA -0.423 54.432 54.840 0.024 0.000 0.831 351 L CB 1.928 43.993 42.059 0.010 0.000 1.273 351 L HN 0.873 nan 8.230 nan 0.000 0.405 352 D N 1.972 122.337 120.400 -0.058 0.000 2.342 352 D HA 0.413 5.053 4.640 0.000 0.000 0.221 352 D C 1.121 177.369 176.300 -0.086 0.000 1.101 352 D CA 0.512 54.456 54.000 -0.092 0.000 0.837 352 D CB 0.697 41.445 40.800 -0.086 0.000 0.938 352 D HN 0.904 nan 8.370 nan 0.000 0.508 353 G N -0.837 107.915 108.800 -0.079 0.000 2.339 353 G HA2 -0.167 3.793 3.960 0.000 0.000 0.209 353 G HA3 -0.167 3.793 3.960 0.000 0.000 0.209 353 G C 1.088 175.958 174.900 -0.050 0.000 1.015 353 G CA -0.044 45.006 45.100 -0.083 0.000 0.635 353 G HN 0.774 nan 8.290 nan 0.000 0.499 354 G N -0.383 108.391 108.800 -0.044 0.000 2.799 354 G HA2 0.370 4.330 3.960 0.000 0.000 0.201 354 G HA3 0.370 4.330 3.960 0.000 0.000 0.201 354 G C 0.057 174.928 174.900 -0.049 0.000 1.142 354 G CA 0.560 45.642 45.100 -0.029 0.000 0.910 354 G HN 0.449 nan 8.290 nan 0.000 0.710 355 N N 0.265 118.929 118.700 -0.061 0.000 2.240 355 N HA 0.573 5.313 4.740 0.000 0.000 0.302 355 N C -1.283 174.178 175.510 -0.081 0.000 1.106 355 N CA -0.258 52.744 53.050 -0.079 0.000 0.778 355 N CB 2.984 41.434 38.487 -0.061 0.000 1.431 355 N HN -0.145 nan 8.380 nan 0.000 0.479 356 V N 1.840 121.686 119.914 -0.114 0.000 2.513 356 V HA 0.400 4.520 4.120 0.000 0.000 0.299 356 V C -0.237 175.817 176.094 -0.068 0.000 1.035 356 V CA -0.848 61.395 62.300 -0.095 0.000 0.889 356 V CB 1.567 33.293 31.823 -0.161 0.000 0.988 356 V HN 0.538 nan 8.190 nan 0.000 0.440 357 N N 2.747 121.442 118.700 -0.008 0.000 2.392 357 N HA 0.499 5.239 4.740 0.000 0.000 0.283 357 N C -0.918 174.577 175.510 -0.025 0.000 1.003 357 N CA -0.326 52.699 53.050 -0.042 0.000 0.892 357 N CB 2.424 40.940 38.487 0.047 0.000 1.193 357 N HN 0.379 nan 8.380 nan 0.000 0.487 358 V N 3.425 123.260 119.914 -0.131 0.000 2.370 358 V HA 0.374 4.494 4.120 0.000 0.000 0.279 358 V C -0.750 175.264 176.094 -0.133 0.000 1.029 358 V CA -0.433 61.840 62.300 -0.045 0.000 0.870 358 V CB -0.142 31.690 31.823 0.015 0.000 0.984 358 V HN 0.499 nan 8.190 nan 0.000 0.451 359 Y N 1.847 122.159 120.300 0.021 0.000 2.524 359 Y HA 0.527 5.077 4.550 0.000 0.000 0.344 359 Y C -0.039 175.850 175.900 -0.019 0.000 1.012 359 Y CA -1.098 57.007 58.100 0.008 0.000 1.068 359 Y CB 1.815 40.273 38.460 -0.003 0.000 1.249 359 Y HN 0.648 nan 8.280 nan 0.000 0.468 360 D N 2.807 123.305 120.400 0.164 0.000 2.329 360 D HA 0.276 4.916 4.640 0.000 0.000 0.232 360 D C -0.192 176.127 176.300 0.032 0.000 1.088 360 D CA -0.414 53.625 54.000 0.064 0.000 0.835 360 D CB 0.556 41.390 40.800 0.057 0.000 1.078 360 D HN 0.547 nan 8.370 nan 0.000 0.495 361 I N 1.234 121.760 120.570 -0.073 0.000 3.654 361 I HA 0.227 4.397 4.170 0.000 0.000 0.337 361 I C 0.910 176.893 176.117 -0.223 0.000 1.568 361 I CA -0.493 60.725 61.300 -0.137 0.000 1.115 361 I CB 0.268 38.091 38.000 -0.296 0.000 1.300 361 I HN 0.192 nan 8.210 nan 0.000 0.471 362 S N -0.454 115.176 115.700 -0.117 0.000 2.428 362 S HA 0.071 4.541 4.470 0.000 0.000 0.230 362 S C 0.954 175.534 174.600 -0.033 0.000 1.014 362 S CA 0.402 58.556 58.200 -0.076 0.000 0.957 362 S CB -0.241 62.953 63.200 -0.009 0.000 0.784 362 S HN 0.577 nan 8.310 nan 0.000 0.499 363 Q N 0.674 120.463 119.800 -0.017 0.000 2.297 363 Q HA 0.426 4.766 4.340 0.000 0.000 0.268 363 Q C -2.134 173.872 176.000 0.011 0.000 1.045 363 Q CA -2.379 53.428 55.803 0.005 0.000 0.861 363 Q CB 0.791 29.537 28.738 0.014 0.000 1.344 363 Q HN -0.008 nan 8.270 nan 0.000 0.452 364 P HA -0.209 nan 4.420 nan 0.000 0.216 364 P C -0.118 177.183 177.300 0.001 0.000 1.157 364 P CA 1.479 64.575 63.100 -0.008 0.000 0.880 364 P CB 0.302 31.987 31.700 -0.026 0.000 0.791 365 E N -0.046 120.161 120.200 0.011 0.000 2.167 365 E HA 0.209 4.559 4.350 0.000 0.000 0.284 365 E C -2.248 174.393 176.600 0.069 0.000 1.016 365 E CA -2.679 53.738 56.400 0.028 0.000 0.817 365 E CB 0.410 30.121 29.700 0.019 0.000 1.080 365 E HN 0.010 nan 8.360 nan 0.000 0.397 366 P HA -0.014 nan 4.420 nan 0.000 0.269 366 P C -1.358 176.064 177.300 0.203 0.000 1.217 366 P CA 0.156 63.339 63.100 0.138 0.000 0.783 366 P CB 0.411 32.138 31.700 0.044 0.000 0.898 367 K N 2.171 122.733 120.400 0.270 0.000 2.579 367 K HA 0.353 4.673 4.320 0.000 0.000 0.250 367 K C -1.304 175.403 176.600 0.178 0.000 0.952 367 K CA -0.868 55.538 56.287 0.198 0.000 0.857 367 K CB 0.618 33.180 32.500 0.104 0.000 1.123 367 K HN 0.217 nan 8.250 nan 0.000 0.433 368 L N 6.521 127.776 121.223 0.054 0.000 2.433 368 L HA 0.149 4.489 4.340 0.000 0.000 0.275 368 L C 0.213 176.980 176.870 -0.171 0.000 1.128 368 L CA 0.394 55.042 54.840 -0.320 0.000 0.875 368 L CB 0.332 42.203 42.059 -0.313 0.000 1.171 368 L HN 0.866 nan 8.230 nan 0.000 0.463 369 L N 4.861 125.979 121.223 -0.175 0.000 2.200 369 L HA 0.251 4.591 4.340 0.000 0.000 0.200 369 L C 0.878 177.706 176.870 -0.069 0.000 1.072 369 L CA 0.325 55.124 54.840 -0.068 0.000 0.787 369 L CB -0.307 41.749 42.059 -0.004 0.000 0.957 369 L HN 0.742 nan 8.230 nan 0.000 0.459 370 R N -1.412 119.027 120.500 -0.102 0.000 2.728 370 R HA 0.505 4.845 4.340 0.000 0.000 0.274 370 R C -1.528 174.710 176.300 -0.102 0.000 1.030 370 R CA -0.705 55.351 56.100 -0.073 0.000 0.876 370 R CB 1.471 31.759 30.300 -0.020 0.000 1.259 370 R HN -0.306 nan 8.270 nan 0.000 0.468 371 T N 1.842 116.350 114.554 -0.077 0.000 2.848 371 T HA 0.485 4.835 4.350 0.000 0.000 0.285 371 T C -0.348 174.312 174.700 -0.067 0.000 0.995 371 T CA -0.628 61.424 62.100 -0.080 0.000 0.970 371 T CB 0.998 69.823 68.868 -0.072 0.000 0.976 371 T HN 0.393 nan 8.240 nan 0.000 0.441 372 I N 3.393 123.907 120.570 -0.093 0.000 2.306 372 I HA 0.289 4.459 4.170 0.000 0.000 0.288 372 I C 0.450 176.487 176.117 -0.133 0.000 1.036 372 I CA -0.636 60.590 61.300 -0.122 0.000 1.221 372 I CB 0.896 38.760 38.000 -0.226 0.000 1.385 372 I HN 0.530 nan 8.210 nan 0.000 0.472 373 E N 4.593 124.743 120.200 -0.082 0.000 2.301 373 E HA 0.411 4.761 4.350 0.000 0.000 0.275 373 E C 0.783 177.348 176.600 -0.058 0.000 1.030 373 E CA -0.433 55.928 56.400 -0.066 0.000 0.852 373 E CB 1.275 30.951 29.700 -0.040 0.000 1.060 373 E HN 0.863 nan 8.360 nan 0.000 0.401 374 G N 1.999 110.768 108.800 -0.052 0.000 2.246 374 G HA2 -0.327 3.633 3.960 0.000 0.000 0.273 374 G HA3 -0.327 3.633 3.960 0.000 0.000 0.273 374 G C 0.776 175.670 174.900 -0.010 0.000 1.055 374 G CA 0.299 45.383 45.100 -0.027 0.000 0.851 374 G HN 0.636 nan 8.290 nan 0.000 0.500 375 A N -1.392 121.373 122.820 -0.092 0.000 2.066 375 A HA 0.701 5.021 4.320 0.000 0.000 0.218 375 A C 1.541 179.233 177.584 0.180 0.000 1.157 375 A CA 2.180 54.119 52.037 -0.163 0.000 0.670 375 A CB 0.046 18.769 19.000 -0.462 0.000 0.804 375 A HN 2.396 nan 8.150 nan 0.000 0.453 376 A N -1.940 120.957 122.820 0.127 0.000 2.564 376 A HA 0.603 4.923 4.320 0.000 0.000 0.291 376 A C 0.154 177.798 177.584 0.101 0.000 1.102 376 A CA -0.016 52.149 52.037 0.214 0.000 0.660 376 A CB 0.112 19.214 19.000 0.171 0.000 1.283 376 A HN 0.059 nan 8.150 nan 0.000 0.430 377 E N -0.444 119.817 120.200 0.102 0.000 2.079 377 E HA 0.333 4.683 4.350 0.000 0.000 0.191 377 E C 0.547 177.177 176.600 0.050 0.000 0.961 377 E CA 1.013 57.447 56.400 0.056 0.000 0.823 377 E CB 0.297 30.024 29.700 0.045 0.000 0.789 377 E HN 0.827 nan 8.360 nan 0.000 0.459 378 A N 1.377 124.225 122.820 0.048 0.000 2.855 378 A HA 0.367 4.687 4.320 0.000 0.000 0.313 378 A C -0.825 176.735 177.584 -0.041 0.000 1.173 378 A CA -0.375 51.687 52.037 0.041 0.000 0.753 378 A CB 1.203 20.326 19.000 0.204 0.000 1.200 378 A HN 0.015 nan 8.150 nan 0.000 0.442 379 S N 1.430 117.088 115.700 -0.069 0.000 2.500 379 S HA 0.721 5.191 4.470 0.000 0.000 0.301 379 S C 0.051 174.560 174.600 -0.151 0.000 1.092 379 S CA -0.495 57.642 58.200 -0.105 0.000 1.030 379 S CB 0.813 63.980 63.200 -0.056 0.000 1.031 379 S HN 0.590 nan 8.310 nan 0.000 0.483 380 L N 3.578 124.679 121.223 -0.202 0.000 3.122 380 L HA 0.473 4.813 4.340 0.000 0.000 0.274 380 L C 0.173 176.962 176.870 -0.135 0.000 1.222 380 L CA -0.026 54.669 54.840 -0.241 0.000 1.028 380 L CB 0.417 42.181 42.059 -0.492 0.000 1.386 380 L HN 0.624 nan 8.230 nan 0.000 0.578 381 Q N 0.958 120.706 119.800 -0.086 0.000 2.295 381 Q HA 0.498 4.838 4.340 0.000 0.000 0.268 381 Q C -2.119 173.881 176.000 -0.000 0.000 1.010 381 Q CA -0.205 55.584 55.803 -0.023 0.000 0.856 381 Q CB 3.645 32.369 28.738 -0.023 0.000 1.349 381 Q HN -0.073 nan 8.270 nan 0.000 0.412 382 V N 3.554 123.481 119.914 0.022 0.000 2.789 382 V HA 0.628 4.748 4.120 0.000 0.000 0.311 382 V C -1.746 174.366 176.094 0.029 0.000 1.073 382 V CA -0.138 62.167 62.300 0.009 0.000 0.921 382 V CB 2.424 34.220 31.823 -0.045 0.000 1.009 382 V HN 0.934 nan 8.190 nan 0.000 0.426 383 Q N 4.253 124.087 119.800 0.058 0.000 2.315 383 Q HA 0.494 4.834 4.340 0.000 0.000 0.273 383 Q C -1.654 174.447 176.000 0.168 0.000 1.053 383 Q CA -0.451 55.423 55.803 0.119 0.000 0.817 383 Q CB 2.965 31.784 28.738 0.134 0.000 1.326 383 Q HN 0.705 nan 8.270 nan 0.000 0.423 384 F N 1.059 121.101 119.950 0.154 0.000 2.410 384 F HA 0.110 4.637 4.527 -0.000 0.000 0.334 384 F C 0.948 176.913 175.800 0.274 0.000 1.134 384 F CA -0.074 58.040 58.000 0.190 0.000 1.227 384 F CB 0.590 39.645 39.000 0.093 0.000 1.194 384 F HN 0.467 nan 8.300 nan 0.000 0.571 385 H N 3.494 122.856 119.070 0.488 0.000 2.683 385 H HA 0.228 4.784 4.556 0.000 0.000 0.339 385 H C -2.450 173.029 175.328 0.252 0.000 1.081 385 H CA -2.059 54.227 56.048 0.396 0.000 1.432 385 H CB 1.159 31.166 29.762 0.408 0.000 1.462 385 H HN 0.238 nan 8.280 nan 0.000 0.557 386 P HA 0.015 nan 4.420 nan 0.000 0.268 386 P C -0.590 176.858 177.300 0.247 0.000 1.205 386 P CA -0.021 63.161 63.100 0.138 0.000 0.771 386 P CB 0.883 32.576 31.700 -0.012 0.000 0.858 387 V N 0.000 120.002 119.914 0.147 0.000 2.409 387 V HA 0.000 4.120 4.120 0.000 0.000 0.244 387 V CA 0.000 62.373 62.300 0.121 0.000 1.235 387 V CB 0.000 31.888 31.823 0.108 0.000 1.184 387 V HN 0.000 nan 8.190 nan 0.000 0.556