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 2h47_1_F 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 SLQVQFHPVG GV 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 63.104 63.100 0.007 0.000 0.800 29 P CB 0.000 31.704 31.700 0.006 0.000 0.726 30 R N 0.342 120.846 120.500 0.007 0.000 2.709 30 R HA 0.176 4.516 4.340 0.000 0.000 0.200 30 R C -0.233 176.072 176.300 0.007 0.000 0.974 30 R CA 0.041 56.145 56.100 0.006 0.000 1.416 30 R CB 1.143 31.445 30.300 0.004 0.000 1.709 30 R HN 0.472 nan 8.270 nan 0.000 0.546 31 E N 0.401 120.606 120.200 0.009 0.000 2.408 31 E HA 0.467 4.817 4.350 0.000 0.000 0.275 31 E C -1.549 175.061 176.600 0.016 0.000 0.935 31 E CA -0.838 55.569 56.400 0.011 0.000 0.775 31 E CB 3.553 33.258 29.700 0.009 0.000 1.277 31 E HN -0.228 nan 8.360 nan 0.000 0.455 32 V N 2.316 122.244 119.914 0.023 0.000 2.567 32 V HA 0.165 4.285 4.120 0.000 0.000 0.298 32 V C -0.798 175.321 176.094 0.042 0.000 1.047 32 V CA -0.823 61.494 62.300 0.028 0.000 0.880 32 V CB 1.610 33.450 31.823 0.027 0.000 1.009 32 V HN 0.550 nan 8.190 nan 0.000 0.429 33 L N 6.055 127.302 121.223 0.041 0.000 2.513 33 L HA 0.500 4.840 4.340 0.000 0.000 0.272 33 L C 0.512 177.428 176.870 0.078 0.000 1.187 33 L CA 1.153 56.026 54.840 0.056 0.000 0.895 33 L CB 0.626 42.712 42.059 0.045 0.000 1.147 33 L HN 0.947 nan 8.230 nan 0.000 0.483 34 T N 2.181 116.818 114.554 0.138 0.000 2.893 34 T HA 0.903 5.253 4.350 0.000 0.000 0.291 34 T C 0.008 174.823 174.700 0.192 0.000 1.028 34 T CA -0.241 61.954 62.100 0.157 0.000 0.995 34 T CB 1.617 70.624 68.868 0.232 0.000 1.051 34 T HN 0.823 nan 8.240 nan 0.000 0.470 35 G N -0.842 107.951 108.800 -0.011 0.000 3.209 35 G HA2 0.616 4.576 3.960 0.000 0.000 0.236 35 G HA3 0.616 4.576 3.960 0.000 0.000 0.236 35 G C 0.810 175.529 174.900 -0.302 0.000 1.329 35 G CA -0.518 44.565 45.100 -0.027 0.000 1.015 35 G HN 1.917 nan 8.290 nan 0.000 0.571 36 G N -1.205 107.512 108.800 -0.140 0.000 2.168 36 G HA2 -0.233 3.728 3.960 0.000 0.000 0.257 36 G HA3 -0.233 3.728 3.960 0.000 0.000 0.257 36 G C 0.402 175.190 174.900 -0.187 0.000 0.997 36 G CA 0.681 45.693 45.100 -0.148 0.000 0.708 36 G HN 0.770 nan 8.290 nan 0.000 0.520 37 H N 0.112 119.201 119.070 0.032 0.000 2.508 37 H HA 0.565 5.121 4.556 0.000 0.000 0.358 37 H C 0.473 175.818 175.328 0.028 0.000 1.212 37 H CA 0.472 56.534 56.048 0.025 0.000 1.356 37 H CB 1.333 31.108 29.762 0.020 0.000 1.525 37 H HN 0.222 nan 8.280 nan 0.000 0.578 38 S N 0.274 116.071 115.700 0.161 0.000 2.651 38 S HA 0.192 4.662 4.470 0.000 0.000 0.291 38 S C 0.094 174.731 174.600 0.061 0.000 1.141 38 S CA -0.914 57.340 58.200 0.091 0.000 1.027 38 S CB 1.663 64.901 63.200 0.063 0.000 1.043 38 S HN 0.305 nan 8.310 nan 0.000 0.530 39 V N 3.430 123.364 119.914 0.033 0.000 2.644 39 V HA -0.062 4.058 4.120 0.000 0.000 0.305 39 V C 1.827 177.904 176.094 -0.028 0.000 1.053 39 V CA 0.816 63.109 62.300 -0.013 0.000 1.186 39 V CB 0.337 32.139 31.823 -0.035 0.000 0.895 39 V HN 1.171 nan 8.190 nan 0.000 0.490 40 S N 4.382 120.054 115.700 -0.047 0.000 2.365 40 S HA -0.088 4.382 4.470 0.000 0.000 0.225 40 S C 0.995 175.562 174.600 -0.056 0.000 1.039 40 S CA 0.835 59.005 58.200 -0.050 0.000 1.033 40 S CB -0.163 63.002 63.200 -0.058 0.000 0.887 40 S HN 1.238 nan 8.310 nan 0.000 0.447 41 A N 3.007 125.781 122.820 -0.077 0.000 2.279 41 A HA 0.694 5.014 4.320 0.000 0.000 0.303 41 A C -2.350 175.186 177.584 -0.080 0.000 1.108 41 A CA -2.112 49.877 52.037 -0.080 0.000 0.830 41 A CB 0.182 19.121 19.000 -0.101 0.000 1.106 41 A HN 0.450 nan 8.150 nan 0.000 0.493 42 P HA 0.080 nan 4.420 nan 0.000 0.272 42 P C 0.097 177.331 177.300 -0.110 0.000 1.223 42 P CA 0.006 63.062 63.100 -0.072 0.000 0.784 42 P CB 0.677 32.348 31.700 -0.048 0.000 0.923 43 Q N 1.436 121.136 119.800 -0.168 0.000 2.133 43 Q HA -0.246 4.094 4.340 0.000 0.000 0.208 43 Q C 1.765 177.648 176.000 -0.196 0.000 0.991 43 Q CA 2.216 57.792 55.803 -0.379 0.000 0.867 43 Q CB -0.398 28.000 28.738 -0.567 0.000 0.911 43 Q HN 0.632 nan 8.270 nan 0.000 0.417 44 E N 0.611 120.791 120.200 -0.033 0.000 2.273 44 E HA -0.173 4.177 4.350 0.000 0.000 0.198 44 E C 0.945 177.666 176.600 0.201 0.000 1.002 44 E CA 1.000 57.466 56.400 0.111 0.000 0.828 44 E CB -0.155 29.595 29.700 0.083 0.000 0.747 44 E HN 0.360 nan 8.360 nan 0.000 0.491 45 N N 0.662 119.402 118.700 0.067 0.000 2.230 45 N HA 0.084 4.824 4.740 0.000 0.000 0.202 45 N C -0.404 175.153 175.510 0.079 0.000 1.119 45 N CA 0.096 53.139 53.050 -0.011 0.000 0.851 45 N CB 0.502 38.875 38.487 -0.190 0.000 0.990 45 N HN 0.108 nan 8.380 nan 0.000 0.497 46 R N 1.212 121.769 120.500 0.094 0.000 2.297 46 R HA 0.502 4.843 4.340 0.000 0.000 0.308 46 R C 0.203 176.494 176.300 -0.015 0.000 1.029 46 R CA -0.366 55.708 56.100 -0.042 0.000 0.929 46 R CB 1.355 31.553 30.300 -0.169 0.000 1.046 46 R HN 0.119 nan 8.270 nan 0.000 0.461 47 I N -1.020 119.419 120.570 -0.217 0.000 2.569 47 I HA 0.472 4.642 4.170 0.000 0.000 0.296 47 I C -1.247 174.637 176.117 -0.389 0.000 1.028 47 I CA -1.291 59.864 61.300 -0.241 0.000 1.082 47 I CB 1.634 39.453 38.000 -0.302 0.000 1.264 47 I HN 0.406 nan 8.210 nan 0.000 0.429 48 Y N 4.325 124.625 120.300 0.001 0.000 2.328 48 Y HA 0.599 5.149 4.550 0.000 0.000 0.337 48 Y C -0.134 175.772 175.900 0.011 0.000 0.966 48 Y CA -0.988 57.127 58.100 0.025 0.000 1.136 48 Y CB 1.961 40.429 38.460 0.013 0.000 1.170 48 Y HN 0.309 nan 8.280 nan 0.000 0.470 49 V N 5.268 125.273 119.914 0.152 0.000 2.370 49 V HA 0.241 4.361 4.120 0.000 0.000 0.283 49 V C -0.094 176.027 176.094 0.044 0.000 1.023 49 V CA -0.815 61.540 62.300 0.091 0.000 0.857 49 V CB 1.281 33.177 31.823 0.123 0.000 0.985 49 V HN 0.698 nan 8.190 nan 0.000 0.443 50 M N 4.856 124.445 119.600 -0.018 0.000 2.201 50 M HA 0.340 4.820 4.480 0.000 0.000 0.345 50 M C -0.469 175.757 176.300 -0.122 0.000 1.352 50 M CA -0.307 54.941 55.300 -0.086 0.000 1.218 50 M CB 0.005 32.536 32.600 -0.115 0.000 1.512 50 M HN 0.592 nan 8.290 nan 0.000 0.447 51 D N 2.139 122.434 120.400 -0.175 0.000 2.396 51 D HA 0.223 4.863 4.640 0.000 0.000 0.225 51 D C 0.812 177.030 176.300 -0.136 0.000 1.121 51 D CA 0.110 54.016 54.000 -0.158 0.000 0.853 51 D CB 0.990 41.641 40.800 -0.248 0.000 1.043 51 D HN 0.710 nan 8.370 nan 0.000 0.500 52 S N 1.940 117.578 115.700 -0.104 0.000 2.428 52 S HA -0.092 4.378 4.470 0.000 0.000 0.230 52 S C 1.028 175.615 174.600 -0.022 0.000 1.014 52 S CA 0.322 58.474 58.200 -0.080 0.000 0.957 52 S CB -0.327 62.833 63.200 -0.068 0.000 0.784 52 S HN 0.496 nan 8.310 nan 0.000 0.499 53 V N 1.918 121.839 119.914 0.012 0.000 5.949 53 V HA -0.229 3.891 4.120 0.000 0.000 0.287 53 V C 0.869 177.007 176.094 0.073 0.000 0.603 53 V CA 0.793 63.126 62.300 0.056 0.000 0.608 53 V CB -3.098 28.764 31.823 0.066 0.000 0.259 53 V HN 0.542 nan 8.190 nan 0.000 0.742 54 F N 0.992 120.891 119.950 -0.085 0.000 2.085 54 F HA -0.302 4.225 4.527 0.000 0.000 0.299 54 F C 2.172 177.903 175.800 -0.115 0.000 1.096 54 F CA 2.852 60.797 58.000 -0.092 0.000 1.227 54 F CB -0.018 38.925 39.000 -0.095 0.000 0.983 54 F HN 0.373 nan 8.300 nan 0.000 0.482 55 M N -1.131 118.424 119.600 -0.076 0.000 2.337 55 M HA -0.178 4.302 4.480 0.000 0.000 0.261 55 M C 0.146 175.968 176.300 -0.796 0.000 1.067 55 M CA 1.637 56.706 55.300 -0.386 0.000 1.074 55 M CB -1.179 31.220 32.600 -0.334 0.000 1.395 55 M HN 0.196 nan 8.290 nan 0.000 0.431 56 H N -0.949 118.101 119.070 -0.033 0.000 2.806 56 H HA 0.178 4.734 4.556 0.000 0.000 0.218 56 H C 0.667 175.990 175.328 -0.008 0.000 1.392 56 H CA -0.556 55.480 56.048 -0.020 0.000 1.358 56 H CB -0.001 29.763 29.762 0.002 0.000 1.944 56 H HN 0.067 nan 8.280 nan 0.000 0.530 57 L N 1.934 123.166 121.223 0.014 0.000 2.351 57 L HA -0.128 4.212 4.340 0.000 0.000 0.220 57 L C 2.318 179.271 176.870 0.139 0.000 1.127 57 L CA 2.147 56.986 54.840 -0.002 0.000 0.786 57 L CB -0.417 41.576 42.059 -0.111 0.000 0.914 57 L HN 0.496 nan 8.230 nan 0.000 0.443 58 T N -4.216 110.479 114.554 0.235 0.000 3.085 58 T HA -0.095 4.255 4.350 0.000 0.000 0.263 58 T C 1.192 175.969 174.700 0.129 0.000 1.127 58 T CA 0.722 62.969 62.100 0.245 0.000 1.103 58 T CB -0.236 68.726 68.868 0.157 0.000 0.921 58 T HN 0.499 nan 8.240 nan 0.000 0.510 59 E N 2.070 122.329 120.200 0.098 0.000 3.582 59 E HA 0.253 4.603 4.350 0.000 0.000 0.217 59 E C -0.478 176.141 176.600 0.031 0.000 1.092 59 E CA -0.440 55.997 56.400 0.063 0.000 1.365 59 E CB 0.357 30.093 29.700 0.061 0.000 1.278 59 E HN 0.579 nan 8.360 nan 0.000 0.439 60 S N 1.409 117.104 115.700 -0.008 0.000 2.565 60 S HA 0.468 4.938 4.470 0.000 0.000 0.276 60 S C 0.106 174.654 174.600 -0.088 0.000 1.326 60 S CA -0.787 57.376 58.200 -0.061 0.000 1.045 60 S CB 1.390 64.528 63.200 -0.104 0.000 0.918 60 S HN 0.388 nan 8.310 nan 0.000 0.505 61 R N 0.699 121.111 120.500 -0.146 0.000 2.817 61 R HA 0.634 4.974 4.340 0.000 0.000 0.268 61 R C -1.943 174.196 176.300 -0.268 0.000 1.027 61 R CA -0.997 54.995 56.100 -0.180 0.000 0.928 61 R CB 0.511 30.738 30.300 -0.121 0.000 1.228 61 R HN 0.471 nan 8.270 nan 0.000 0.469 62 V N 2.301 122.097 119.914 -0.196 0.000 2.370 62 V HA 0.343 4.463 4.120 0.000 0.000 0.279 62 V C -0.342 175.739 176.094 -0.020 0.000 1.029 62 V CA -0.749 61.482 62.300 -0.115 0.000 0.870 62 V CB 0.962 32.756 31.823 -0.048 0.000 0.984 62 V HN 0.571 nan 8.190 nan 0.000 0.451 63 H N 3.092 122.230 119.070 0.114 0.000 2.488 63 H HA 0.508 5.064 4.556 0.000 0.000 0.322 63 H C -0.439 174.886 175.328 -0.005 0.000 1.078 63 H CA -0.595 55.533 56.048 0.133 0.000 1.260 63 H CB 1.925 31.930 29.762 0.406 0.000 1.425 63 H HN 0.408 nan 8.280 nan 0.000 0.471 64 V N 5.527 125.311 119.914 -0.217 0.000 2.383 64 V HA 0.222 4.342 4.120 0.000 0.000 0.275 64 V C -0.474 175.271 176.094 -0.582 0.000 1.036 64 V CA -0.529 61.523 62.300 -0.414 0.000 0.889 64 V CB 0.111 31.678 31.823 -0.427 0.000 0.985 64 V HN 0.592 nan 8.190 nan 0.000 0.459 65 Y N 1.360 121.436 120.300 -0.372 0.000 2.570 65 Y HA 0.446 4.996 4.550 0.000 0.000 0.345 65 Y C 0.135 175.914 175.900 -0.202 0.000 1.014 65 Y CA -0.980 56.972 58.100 -0.247 0.000 1.063 65 Y CB 1.838 40.226 38.460 -0.121 0.000 1.272 65 Y HN 0.537 nan 8.280 nan 0.000 0.477 66 D N 1.512 121.934 120.400 0.037 0.000 2.396 66 D HA 0.023 4.663 4.640 0.000 0.000 0.225 66 D C 0.352 176.657 176.300 0.008 0.000 1.121 66 D CA -0.274 53.703 54.000 -0.039 0.000 0.853 66 D CB 0.556 41.304 40.800 -0.088 0.000 1.043 66 D HN 0.661 nan 8.370 nan 0.000 0.500 67 Y N 2.207 122.499 120.300 -0.012 0.000 2.483 67 Y HA -0.139 4.411 4.550 0.000 0.000 0.291 67 Y C 1.951 177.861 175.900 0.016 0.000 1.143 67 Y CA 1.466 59.555 58.100 -0.018 0.000 1.289 67 Y CB -0.645 37.786 38.460 -0.048 0.000 0.983 67 Y HN 0.272 nan 8.280 nan 0.000 0.556 68 T N -1.144 113.105 114.554 -0.508 0.000 2.896 68 T HA -0.104 4.246 4.350 0.000 0.000 0.263 68 T C 1.141 175.764 174.700 -0.129 0.000 1.050 68 T CA 1.137 63.017 62.100 -0.366 0.000 1.140 68 T CB -0.528 68.085 68.868 -0.425 0.000 0.877 68 T HN 0.594 nan 8.240 nan 0.000 0.457 69 N N 0.087 118.732 118.700 -0.091 0.000 2.160 69 N HA 0.281 5.021 4.740 0.000 0.000 0.226 69 N C 1.328 176.845 175.510 0.012 0.000 1.256 69 N CA 0.217 53.246 53.050 -0.035 0.000 0.890 69 N CB -0.065 38.398 38.487 -0.041 0.000 1.116 69 N HN 0.566 nan 8.380 nan 0.000 0.517 70 G N 0.726 109.552 108.800 0.043 0.000 2.187 70 G HA2 -0.401 3.559 3.960 0.000 0.000 0.261 70 G HA3 -0.401 3.559 3.960 0.000 0.000 0.261 70 G C -0.083 174.946 174.900 0.214 0.000 1.000 70 G CA 0.748 45.918 45.100 0.117 0.000 0.718 70 G HN 0.705 nan 8.290 nan 0.000 0.519 71 K N -0.381 120.095 120.400 0.125 0.000 2.270 71 K HA 0.483 4.803 4.320 0.000 0.000 0.276 71 K C -0.092 176.521 176.600 0.021 0.000 1.023 71 K CA -0.903 55.433 56.287 0.082 0.000 0.955 71 K CB 0.182 32.683 32.500 0.002 0.000 0.975 71 K HN 0.090 nan 8.250 nan 0.000 0.471 72 F N 6.185 125.998 119.950 -0.229 0.000 2.421 72 F HA 0.164 4.691 4.527 0.000 0.000 0.358 72 F C 0.319 175.896 175.800 -0.371 0.000 1.115 72 F CA -0.299 57.345 58.000 -0.592 0.000 1.160 72 F CB 0.415 39.101 39.000 -0.524 0.000 1.123 72 F HN 0.524 nan 8.300 nan 0.000 0.508 73 L N 5.497 126.174 121.223 -0.910 0.000 2.477 73 L HA 0.388 4.728 4.340 0.000 0.000 0.220 73 L C 1.184 177.684 176.870 -0.616 0.000 1.106 73 L CA 0.545 55.039 54.840 -0.576 0.000 0.851 73 L CB -0.684 41.128 42.059 -0.411 0.000 0.994 73 L HN 0.894 nan 8.230 nan 0.000 0.462 74 G N 0.234 108.296 108.800 -1.229 0.000 2.339 74 G HA2 0.296 4.256 3.960 0.000 0.000 0.275 74 G HA3 0.296 4.256 3.960 0.000 0.000 0.275 74 G C -1.388 173.231 174.900 -0.468 0.000 1.323 74 G CA -0.243 44.507 45.100 -0.584 0.000 0.927 74 G HN 0.010 nan 8.290 nan 0.000 0.486 75 M N -2.294 117.290 119.600 -0.027 0.000 2.895 75 M HA 0.778 5.258 4.480 0.000 0.000 0.271 75 M C -1.635 174.679 176.300 0.023 0.000 1.174 75 M CA -1.036 54.316 55.300 0.087 0.000 0.816 75 M CB 2.000 34.817 32.600 0.363 0.000 1.647 75 M HN 0.904 nan 8.290 nan 0.000 0.506 76 V N 1.882 121.741 119.914 -0.091 0.000 2.482 76 V HA 0.585 4.705 4.120 0.000 0.000 0.295 76 V C -2.371 173.539 176.094 -0.307 0.000 1.026 76 V CA -1.232 60.844 62.300 -0.373 0.000 0.856 76 V CB 2.094 33.498 31.823 -0.698 0.000 1.001 76 V HN 0.752 nan 8.190 nan 0.000 0.424 77 P HA 0.132 nan 4.420 nan 0.000 0.267 77 P C 0.291 177.541 177.300 -0.083 0.000 1.209 77 P CA 0.187 63.255 63.100 -0.052 0.000 0.763 77 P CB 0.884 32.635 31.700 0.085 0.000 0.816 78 T N -0.049 114.454 114.554 -0.084 0.000 3.331 78 T HA 0.518 4.868 4.350 0.000 0.000 0.282 78 T C 0.830 175.470 174.700 -0.099 0.000 1.010 78 T CA 0.186 62.232 62.100 -0.090 0.000 0.928 78 T CB -0.395 68.396 68.868 -0.128 0.000 1.154 78 T HN 0.589 nan 8.240 nan 0.000 0.516 79 A N 1.925 124.711 122.820 -0.058 0.000 5.568 79 A HA -0.197 4.123 4.320 0.000 0.000 0.322 79 A C 0.076 177.653 177.584 -0.011 0.000 1.802 79 A CA 0.893 52.893 52.037 -0.062 0.000 0.727 79 A CB -1.774 17.049 19.000 -0.295 0.000 1.362 79 A HN 1.042 nan 8.150 nan 0.000 0.396 80 F N 2.359 122.216 119.950 -0.155 0.000 2.504 80 F HA 0.448 4.975 4.527 0.000 0.000 0.369 80 F C 0.978 176.737 175.800 -0.068 0.000 1.082 80 F CA 0.391 58.338 58.000 -0.089 0.000 1.216 80 F CB -0.311 38.649 39.000 -0.066 0.000 1.108 80 F HN 0.945 nan 8.300 nan 0.000 0.554 81 N N 3.610 121.853 118.700 -0.762 0.000 2.724 81 N HA -0.189 4.551 4.740 0.000 0.000 0.293 81 N C -0.356 175.024 175.510 -0.217 0.000 1.090 81 N CA 0.899 53.612 53.050 -0.562 0.000 0.793 81 N CB -0.607 37.378 38.487 -0.836 0.000 0.958 81 N HN 0.965 nan 8.380 nan 0.000 0.575 82 G N 1.424 110.150 108.800 -0.123 0.000 2.451 82 G HA2 0.464 4.424 3.960 0.000 0.000 0.303 82 G HA3 0.464 4.424 3.960 0.000 0.000 0.303 82 G C -0.808 174.136 174.900 0.073 0.000 1.166 82 G CA -0.530 44.537 45.100 -0.055 0.000 0.884 82 G HN 0.636 nan 8.290 nan 0.000 0.514 83 H N -1.333 117.564 119.070 -0.289 0.000 2.679 83 H HA 0.662 5.218 4.556 0.000 0.000 0.367 83 H C -1.093 174.097 175.328 -0.230 0.000 1.162 83 H CA -0.727 55.155 56.048 -0.276 0.000 1.181 83 H CB 2.776 32.302 29.762 -0.393 0.000 1.693 83 H HN 0.425 nan 8.280 nan 0.000 0.538 84 V N 1.639 121.614 119.914 0.101 0.000 3.178 84 V HA 0.341 4.461 4.120 0.000 0.000 0.302 84 V C -1.759 174.506 176.094 0.286 0.000 1.262 84 V CA -0.414 62.014 62.300 0.214 0.000 1.030 84 V CB 2.600 34.442 31.823 0.031 0.000 1.074 84 V HN 1.026 nan 8.190 nan 0.000 0.438 85 Q N 2.700 122.632 119.800 0.220 0.000 2.575 85 Q HA 0.744 5.084 4.340 0.000 0.000 0.290 85 Q C -2.216 173.668 176.000 -0.193 0.000 0.963 85 Q CA -0.956 54.867 55.803 0.034 0.000 0.783 85 Q CB 2.269 31.045 28.738 0.064 0.000 1.467 85 Q HN 0.504 nan 8.270 nan 0.000 0.402 86 V N 1.979 121.709 119.914 -0.308 0.000 2.394 86 V HA 0.385 4.505 4.120 0.000 0.000 0.282 86 V C 0.179 175.990 176.094 -0.471 0.000 1.031 86 V CA -0.447 61.558 62.300 -0.491 0.000 0.881 86 V CB 1.264 32.755 31.823 -0.553 0.000 0.982 86 V HN 0.871 nan 8.190 nan 0.000 0.451 87 S N 4.014 119.285 115.700 -0.714 0.000 2.558 87 S HA 0.003 4.473 4.470 0.000 0.000 0.293 87 S C 1.129 175.582 174.600 -0.245 0.000 1.292 87 S CA -0.297 57.586 58.200 -0.529 0.000 1.063 87 S CB 0.204 63.072 63.200 -0.554 0.000 0.831 87 S HN 0.705 nan 8.310 nan 0.000 0.499 88 N N 3.028 121.664 118.700 -0.107 0.000 2.096 88 N HA -0.203 4.537 4.740 0.000 0.000 0.195 88 N C 1.107 176.582 175.510 -0.059 0.000 1.017 88 N CA 1.985 54.995 53.050 -0.066 0.000 0.870 88 N CB -0.772 37.707 38.487 -0.013 0.000 1.024 88 N HN 0.998 nan 8.380 nan 0.000 0.434 89 D N -0.981 119.392 120.400 -0.046 0.000 2.378 89 D HA 0.078 4.718 4.640 0.000 0.000 0.227 89 D C 1.192 177.487 176.300 -0.008 0.000 1.012 89 D CA 0.764 54.755 54.000 -0.015 0.000 0.905 89 D CB -0.604 40.195 40.800 -0.001 0.000 0.895 89 D HN 0.277 nan 8.370 nan 0.000 0.532 90 G N 0.393 109.144 108.800 -0.082 0.000 2.166 90 G HA2 -0.422 3.538 3.960 0.000 0.000 0.260 90 G HA3 -0.422 3.538 3.960 0.000 0.000 0.260 90 G C 1.053 175.994 174.900 0.070 0.000 0.986 90 G CA 0.726 45.782 45.100 -0.073 0.000 0.683 90 G HN 0.491 nan 8.290 nan 0.000 0.527 91 K N -0.834 119.569 120.400 0.005 0.000 2.314 91 K HA 0.113 4.433 4.320 0.000 0.000 0.198 91 K C 0.925 177.532 176.600 0.013 0.000 1.045 91 K CA 0.655 56.964 56.287 0.037 0.000 0.988 91 K CB 0.142 32.658 32.500 0.026 0.000 0.783 91 K HN 0.226 nan 8.250 nan 0.000 0.484 92 K N 0.620 120.963 120.400 -0.094 0.000 2.444 92 K HA 0.453 4.773 4.320 0.000 0.000 0.252 92 K C -0.603 175.826 176.600 -0.285 0.000 0.993 92 K CA -0.618 55.604 56.287 -0.109 0.000 0.847 92 K CB 2.111 34.580 32.500 -0.051 0.000 1.340 92 K HN -0.106 nan 8.250 nan 0.000 0.446 93 I N 2.053 122.553 120.570 -0.115 0.000 2.389 93 I HA 0.321 4.491 4.170 0.000 0.000 0.288 93 I C -0.742 175.419 176.117 0.073 0.000 0.999 93 I CA -0.852 60.349 61.300 -0.165 0.000 1.129 93 I CB 0.949 38.906 38.000 -0.071 0.000 1.288 93 I HN 0.375 nan 8.210 nan 0.000 0.444 94 Y N 4.237 124.595 120.300 0.097 0.000 2.328 94 Y HA 0.418 4.968 4.550 0.000 0.000 0.337 94 Y C 0.731 176.843 175.900 0.352 0.000 1.008 94 Y CA -0.929 57.316 58.100 0.241 0.000 1.129 94 Y CB 1.868 40.429 38.460 0.169 0.000 1.185 94 Y HN 0.485 nan 8.280 nan 0.000 0.476 95 T N 1.550 116.401 114.554 0.496 0.000 2.908 95 T HA 0.673 5.023 4.350 0.000 0.000 0.290 95 T C -0.705 174.055 174.700 0.100 0.000 1.034 95 T CA -1.022 61.214 62.100 0.227 0.000 1.010 95 T CB 2.287 71.204 68.868 0.082 0.000 1.068 95 T HN 0.695 nan 8.240 nan 0.000 0.481 96 M N 2.206 121.613 119.600 -0.321 0.000 2.327 96 M HA 0.642 5.122 4.480 0.000 0.000 0.298 96 M C -1.052 175.084 176.300 -0.274 0.000 1.065 96 M CA -0.081 54.976 55.300 -0.406 0.000 0.916 96 M CB 2.061 34.019 32.600 -1.069 0.000 1.630 96 M HN 1.050 nan 8.290 nan 0.000 0.442 97 T N 1.388 115.846 114.554 -0.159 0.000 2.649 97 T HA 0.632 4.982 4.350 0.000 0.000 0.305 97 T C -1.621 172.999 174.700 -0.134 0.000 1.409 97 T CA -0.330 61.667 62.100 -0.171 0.000 1.021 97 T CB 1.957 70.687 68.868 -0.230 0.000 1.726 97 T HN 0.731 nan 8.240 nan 0.000 0.475 98 T N 1.383 115.841 114.554 -0.159 0.000 2.916 98 T HA 0.711 5.061 4.350 0.000 0.000 0.298 98 T C -1.755 172.827 174.700 -0.198 0.000 1.031 98 T CA -0.292 61.761 62.100 -0.080 0.000 0.993 98 T CB 0.879 69.809 68.868 0.103 0.000 1.045 98 T HN 0.457 nan 8.240 nan 0.000 0.454 99 Y N 0.918 121.207 120.300 -0.018 0.000 2.598 99 Y HA 0.617 5.167 4.550 0.000 0.000 0.340 99 Y C 0.557 176.358 175.900 -0.165 0.000 1.038 99 Y CA -0.989 57.103 58.100 -0.013 0.000 1.100 99 Y CB 1.701 40.148 38.460 -0.021 0.000 1.281 99 Y HN 0.546 nan 8.280 nan 0.000 0.488 100 H N 0.517 119.681 119.070 0.158 0.000 2.947 100 H HA 0.158 4.714 4.556 0.000 0.000 0.354 100 H C -0.075 175.283 175.328 0.049 0.000 1.085 100 H CA -0.499 55.581 56.048 0.054 0.000 1.253 100 H CB 2.144 31.896 29.762 -0.016 0.000 1.757 100 H HN 0.850 nan 8.280 nan 0.000 0.523 101 E N 1.366 121.633 120.200 0.112 0.000 2.253 101 E HA -0.201 4.149 4.350 0.000 0.000 0.202 101 E C 0.633 177.270 176.600 0.061 0.000 1.014 101 E CA 1.071 57.507 56.400 0.059 0.000 0.823 101 E CB 0.359 30.080 29.700 0.035 0.000 0.736 101 E HN 0.227 nan 8.360 nan 0.000 0.478 102 R N -0.817 119.730 120.500 0.079 0.000 2.616 102 R HA 0.277 4.617 4.340 0.000 0.000 0.427 102 R C 0.871 177.192 176.300 0.034 0.000 1.030 102 R CA -0.137 55.989 56.100 0.044 0.000 1.133 102 R CB 0.178 30.490 30.300 0.019 0.000 1.444 102 R HN 0.194 nan 8.270 nan 0.000 0.578 103 I N -0.698 119.921 120.570 0.081 0.000 4.519 103 I HA -0.449 3.721 4.170 0.000 0.000 0.056 103 I C 1.198 177.227 176.117 -0.146 0.000 0.610 103 I CA 2.465 63.783 61.300 0.030 0.000 0.951 103 I CB -1.365 36.640 38.000 0.009 0.000 0.858 103 I HN 0.235 nan 8.210 nan 0.000 0.164 104 T N -0.034 114.429 114.554 -0.152 0.000 3.092 104 T HA 0.438 4.788 4.350 0.000 0.000 0.258 104 T C 0.255 174.827 174.700 -0.213 0.000 1.031 104 T CA 0.139 62.097 62.100 -0.237 0.000 0.925 104 T CB 0.051 68.827 68.868 -0.153 0.000 1.036 104 T HN 0.752 nan 8.240 nan 0.000 0.544 105 R N -0.947 119.468 120.500 -0.142 0.000 2.690 105 R HA 0.624 4.964 4.340 0.000 0.000 0.269 105 R C -0.306 176.018 176.300 0.039 0.000 1.037 105 R CA -0.577 55.485 56.100 -0.063 0.000 0.877 105 R CB 0.492 30.768 30.300 -0.041 0.000 1.255 105 R HN 0.506 nan 8.270 nan 0.000 0.467 106 G N 1.195 110.040 108.800 0.074 0.000 2.603 106 G HA2 -0.111 3.849 3.960 0.000 0.000 0.686 106 G HA3 -0.111 3.849 3.960 0.000 0.000 0.686 106 G C -1.263 173.726 174.900 0.147 0.000 1.286 106 G CA -0.460 44.697 45.100 0.094 0.000 0.871 106 G HN 0.706 nan 8.290 nan 0.000 0.568 107 K N 0.347 120.784 120.400 0.063 0.000 2.484 107 K HA 0.125 4.445 4.320 0.000 0.000 0.280 107 K C 0.855 177.404 176.600 -0.085 0.000 1.013 107 K CA 0.045 56.337 56.287 0.009 0.000 1.029 107 K CB 0.293 32.788 32.500 -0.009 0.000 0.902 107 K HN 0.698 nan 8.250 nan 0.000 0.481 108 R N 2.224 122.607 120.500 -0.194 0.000 2.308 108 R HA 0.130 4.471 4.340 0.000 0.000 0.305 108 R C -1.048 175.124 176.300 -0.213 0.000 1.053 108 R CA -0.248 55.576 56.100 -0.460 0.000 0.957 108 R CB 0.734 30.770 30.300 -0.440 0.000 1.022 108 R HN 0.476 nan 8.270 nan 0.000 0.461 109 S N 3.738 119.343 115.700 -0.159 0.000 2.653 109 S HA 0.183 4.653 4.470 0.000 0.000 0.272 109 S C -1.455 173.173 174.600 0.045 0.000 1.221 109 S CA -0.919 57.269 58.200 -0.020 0.000 1.149 109 S CB 1.248 64.466 63.200 0.031 0.000 1.029 109 S HN 0.587 nan 8.310 nan 0.000 0.481 110 D N 2.607 123.005 120.400 -0.004 0.000 2.256 110 D HA 0.564 5.204 4.640 0.000 0.000 0.250 110 D C 0.283 176.607 176.300 0.040 0.000 1.093 110 D CA -0.080 53.923 54.000 0.005 0.000 0.882 110 D CB 1.479 42.256 40.800 -0.039 0.000 1.185 110 D HN 0.392 nan 8.370 nan 0.000 0.437 111 V N -0.668 119.294 119.914 0.079 0.000 3.112 111 V HA 0.768 4.888 4.120 0.000 0.000 0.310 111 V C -1.087 175.088 176.094 0.135 0.000 1.364 111 V CA -0.804 61.571 62.300 0.125 0.000 1.058 111 V CB 2.017 33.968 31.823 0.213 0.000 1.079 111 V HN 0.185 nan 8.190 nan 0.000 0.463 112 V N 0.720 120.752 119.914 0.197 0.000 2.623 112 V HA 0.595 4.715 4.120 0.000 0.000 0.304 112 V C -0.613 175.668 176.094 0.312 0.000 1.054 112 V CA -0.234 62.220 62.300 0.256 0.000 0.882 112 V CB 1.651 33.631 31.823 0.262 0.000 1.002 112 V HN 1.029 nan 8.190 nan 0.000 0.424 113 E N 2.549 122.999 120.200 0.418 0.000 2.227 113 E HA 0.670 5.021 4.350 0.000 0.000 0.268 113 E C -1.435 175.522 176.600 0.596 0.000 0.907 113 E CA -0.706 56.035 56.400 0.567 0.000 0.786 113 E CB 2.740 32.934 29.700 0.823 0.000 1.191 113 E HN 0.421 nan 8.360 nan 0.000 0.411 114 V N 3.204 123.383 119.914 0.443 0.000 2.334 114 V HA 0.300 4.420 4.120 0.000 0.000 0.281 114 V C -1.103 175.173 176.094 0.304 0.000 1.016 114 V CA -0.692 61.854 62.300 0.410 0.000 0.832 114 V CB 0.207 32.157 31.823 0.211 0.000 0.999 114 V HN 0.588 nan 8.190 nan 0.000 0.439 115 W N 1.968 123.368 121.300 0.167 0.000 2.627 115 W HA 0.486 5.146 4.660 0.000 0.000 0.339 115 W C 0.066 176.622 176.519 0.061 0.000 1.058 115 W CA -1.026 56.392 57.345 0.121 0.000 1.223 115 W CB 1.024 30.584 29.460 0.165 0.000 1.389 115 W HN 0.558 nan 8.180 nan 0.000 0.541 116 D N 1.094 121.646 120.400 0.253 0.000 2.348 116 D HA 0.344 4.984 4.640 0.000 0.000 0.253 116 D C 1.112 177.533 176.300 0.201 0.000 1.161 116 D CA 0.298 54.394 54.000 0.161 0.000 0.876 116 D CB 1.472 42.329 40.800 0.095 0.000 1.160 116 D HN 0.432 nan 8.370 nan 0.000 0.459 117 A N 3.819 126.733 122.820 0.157 0.000 2.019 117 A HA -0.173 4.147 4.320 0.000 0.000 0.219 117 A C 1.678 179.371 177.584 0.181 0.000 1.164 117 A CA 1.324 53.475 52.037 0.190 0.000 0.644 117 A CB -0.173 18.960 19.000 0.222 0.000 0.805 117 A HN 0.670 nan 8.150 nan 0.000 0.449 118 D N -0.725 119.755 120.400 0.133 0.000 2.197 118 D HA -0.002 4.638 4.640 0.000 0.000 0.212 118 D C 1.637 177.997 176.300 0.100 0.000 0.963 118 D CA 0.830 54.888 54.000 0.096 0.000 0.864 118 D CB -0.089 40.752 40.800 0.067 0.000 1.009 118 D HN 0.170 nan 8.370 nan 0.000 0.479 119 K N 0.514 120.981 120.400 0.111 0.000 2.400 119 K HA 0.157 4.477 4.320 0.000 0.000 0.194 119 K C 0.610 177.313 176.600 0.171 0.000 1.033 119 K CA -0.160 56.196 56.287 0.114 0.000 1.021 119 K CB 0.555 33.104 32.500 0.082 0.000 0.808 119 K HN 0.185 nan 8.250 nan 0.000 0.505 120 L N 2.412 123.772 121.223 0.227 0.000 3.660 120 L HA -0.216 4.124 4.340 0.000 0.000 0.440 120 L C -0.228 176.953 176.870 0.517 0.000 1.262 120 L CA 0.781 55.828 54.840 0.344 0.000 0.837 120 L CB -2.161 40.040 42.059 0.236 0.000 1.689 120 L HN 0.260 nan 8.230 nan 0.000 0.890 121 T N -3.219 111.584 114.554 0.415 0.000 2.887 121 T HA 0.586 4.936 4.350 0.000 0.000 0.288 121 T C -0.378 174.189 174.700 -0.220 0.000 1.021 121 T CA -0.825 61.380 62.100 0.175 0.000 1.000 121 T CB 2.303 71.201 68.868 0.050 0.000 1.034 121 T HN 0.130 nan 8.240 nan 0.000 0.467 122 F N 1.715 121.004 119.950 -1.101 0.000 2.563 122 F HA 0.332 4.859 4.527 0.000 0.000 0.363 122 F C 1.005 176.450 175.800 -0.591 0.000 1.123 122 F CA -0.174 56.950 58.000 -1.459 0.000 1.307 122 F CB 0.588 38.845 39.000 -1.238 0.000 1.115 122 F HN 0.894 nan 8.300 nan 0.000 0.592 123 E N 2.185 121.580 120.200 -1.341 0.000 2.717 123 E HA 0.146 4.496 4.350 0.000 0.000 0.204 123 E C -0.462 175.498 176.600 -1.066 0.000 0.911 123 E CA -0.254 55.590 56.400 -0.927 0.000 1.370 123 E CB 0.715 30.172 29.700 -0.405 0.000 1.315 123 E HN 0.435 nan 8.360 nan 0.000 0.643 124 K N 1.115 120.909 120.400 -1.009 0.000 2.527 124 K HA 0.258 4.578 4.320 0.000 0.000 0.260 124 K C -1.840 174.737 176.600 -0.039 0.000 0.937 124 K CA -0.347 55.660 56.287 -0.467 0.000 0.826 124 K CB 2.582 34.970 32.500 -0.187 0.000 1.359 124 K HN -0.089 nan 8.250 nan 0.000 0.434 125 E N 4.665 124.978 120.200 0.188 0.000 2.165 125 E HA 0.327 4.677 4.350 0.000 0.000 0.266 125 E C -1.087 175.612 176.600 0.165 0.000 0.889 125 E CA -0.600 55.986 56.400 0.309 0.000 0.756 125 E CB 1.001 30.901 29.700 0.335 0.000 1.131 125 E HN 0.444 nan 8.360 nan 0.000 0.411 126 I N 3.604 124.271 120.570 0.162 0.000 2.330 126 I HA 0.188 4.358 4.170 0.000 0.000 0.289 126 I C 0.050 176.235 176.117 0.114 0.000 1.001 126 I CA -0.694 60.678 61.300 0.120 0.000 1.193 126 I CB 1.723 39.792 38.000 0.114 0.000 1.345 126 I HN 0.432 nan 8.210 nan 0.000 0.461 127 S N 7.143 122.893 115.700 0.083 0.000 2.560 127 S HA 0.479 4.949 4.470 0.000 0.000 0.284 127 S C -0.134 174.463 174.600 -0.006 0.000 1.327 127 S CA -0.187 58.037 58.200 0.040 0.000 1.055 127 S CB 0.549 63.763 63.200 0.023 0.000 0.868 127 S HN 0.346 nan 8.310 nan 0.000 0.506 128 L N 3.165 124.335 121.223 -0.089 0.000 2.376 128 L HA 0.545 4.885 4.340 0.000 0.000 0.258 128 L C -2.383 174.299 176.870 -0.312 0.000 1.013 128 L CA -2.488 52.177 54.840 -0.293 0.000 0.822 128 L CB 2.044 44.000 42.059 -0.172 0.000 1.388 128 L HN 0.389 nan 8.230 nan 0.000 0.413 129 P HA 0.132 nan 4.420 nan 0.000 0.276 129 P C -2.455 174.748 177.300 -0.161 0.000 1.230 129 P CA -1.429 61.506 63.100 -0.276 0.000 0.776 129 P CB 0.191 31.712 31.700 -0.299 0.000 0.888 130 P HA -0.050 nan 4.420 nan 0.000 0.248 130 P C 0.255 177.542 177.300 -0.022 0.000 1.553 130 P CA 0.681 63.749 63.100 -0.054 0.000 0.901 130 P CB -0.720 30.954 31.700 -0.044 0.000 1.816 131 K N -0.164 120.222 120.400 -0.023 0.000 2.609 131 K HA 0.145 4.465 4.320 0.000 0.000 0.195 131 K C 0.232 176.851 176.600 0.031 0.000 1.144 131 K CA -0.747 55.552 56.287 0.020 0.000 1.084 131 K CB 0.119 32.639 32.500 0.033 0.000 0.877 131 K HN -0.056 nan 8.250 nan 0.000 0.540 132 R N 1.012 121.511 120.500 -0.002 0.000 2.522 132 R HA 0.127 4.467 4.340 0.000 0.000 0.284 132 R C 0.147 176.438 176.300 -0.015 0.000 1.032 132 R CA -0.422 55.667 56.100 -0.017 0.000 1.049 132 R CB 0.222 30.487 30.300 -0.059 0.000 0.956 132 R HN 0.040 nan 8.270 nan 0.000 0.422 133 V N 3.437 123.340 119.914 -0.018 0.000 2.726 133 V HA -0.092 4.028 4.120 0.000 0.000 0.304 133 V C -0.258 175.811 176.094 -0.041 0.000 1.115 133 V CA 1.055 63.378 62.300 0.039 0.000 1.264 133 V CB 0.092 31.918 31.823 0.005 0.000 0.867 133 V HN 0.888 nan 8.190 nan 0.000 0.498 134 Q N 5.358 125.213 119.800 0.092 0.000 2.401 134 Q HA 0.672 5.012 4.340 0.000 0.000 0.260 134 Q C -0.010 176.096 176.000 0.176 0.000 1.034 134 Q CA 0.143 55.996 55.803 0.083 0.000 0.737 134 Q CB 1.713 30.552 28.738 0.168 0.000 1.227 134 Q HN 1.072 nan 8.270 nan 0.000 0.488 135 G N 1.164 110.099 108.800 0.225 0.000 2.495 135 G HA2 0.343 4.303 3.960 0.000 0.000 0.294 135 G HA3 0.343 4.303 3.960 0.000 0.000 0.294 135 G C -1.151 173.943 174.900 0.324 0.000 1.397 135 G CA -0.985 44.298 45.100 0.304 0.000 0.790 135 G HN 0.398 nan 8.290 nan 0.000 0.486 136 L N 0.896 122.266 121.223 0.245 0.000 2.529 136 L HA 0.029 4.369 4.340 0.000 0.000 0.287 136 L C 0.477 177.349 176.870 0.004 0.000 1.241 136 L CA -0.372 54.488 54.840 0.034 0.000 0.857 136 L CB 0.277 42.284 42.059 -0.087 0.000 1.113 136 L HN 0.471 nan 8.230 nan 0.000 0.504 137 N N 2.710 121.246 118.700 -0.274 0.000 3.059 137 N HA 0.005 4.745 4.740 0.000 0.000 0.321 137 N C -0.653 174.760 175.510 -0.161 0.000 1.224 137 N CA 0.292 53.111 53.050 -0.385 0.000 1.197 137 N CB -0.417 37.800 38.487 -0.450 0.000 1.453 137 N HN 0.361 nan 8.380 nan 0.000 0.544 138 Y N 0.571 120.919 120.300 0.079 0.000 2.336 138 Y HA -0.007 4.543 4.550 0.000 0.000 0.331 138 Y C 1.744 177.706 175.900 0.104 0.000 1.211 138 Y CA -0.381 57.803 58.100 0.140 0.000 1.346 138 Y CB 0.798 39.387 38.460 0.215 0.000 1.271 138 Y HN 0.134 nan 8.280 nan 0.000 0.538 139 D N 2.323 122.874 120.400 0.252 0.000 2.116 139 D HA -0.173 4.467 4.640 0.000 0.000 0.193 139 D C 2.191 178.590 176.300 0.164 0.000 0.998 139 D CA 1.723 55.828 54.000 0.175 0.000 0.836 139 D CB -0.609 40.277 40.800 0.142 0.000 0.951 139 D HN 0.921 nan 8.370 nan 0.000 0.449 140 G N 0.388 109.281 108.800 0.155 0.000 2.537 140 G HA2 -0.196 3.764 3.960 0.000 0.000 0.220 140 G HA3 -0.196 3.764 3.960 0.000 0.000 0.220 140 G C 1.597 176.491 174.900 -0.011 0.000 1.111 140 G CA 0.278 45.413 45.100 0.060 0.000 0.748 140 G HN 0.283 nan 8.290 nan 0.000 0.564 141 L N -1.790 119.480 121.223 0.079 0.000 2.341 141 L HA 0.325 4.665 4.340 0.000 0.000 0.214 141 L C 0.310 177.296 176.870 0.193 0.000 1.115 141 L CA 0.120 54.985 54.840 0.042 0.000 0.820 141 L CB 0.221 42.391 42.059 0.185 0.000 0.944 141 L HN 0.155 nan 8.230 nan 0.000 0.452 142 F N 1.141 121.116 119.950 0.042 0.000 2.902 142 F HA 0.460 4.987 4.527 0.000 0.000 0.368 142 F C -0.135 175.680 175.800 0.025 0.000 1.202 142 F CA -0.850 57.173 58.000 0.038 0.000 1.109 142 F CB 0.340 39.416 39.000 0.127 0.000 1.418 142 F HN -0.221 nan 8.300 nan 0.000 0.527 143 R N 2.692 123.071 120.500 -0.201 0.000 3.045 143 R HA 0.618 4.958 4.340 0.000 0.000 0.245 143 R C -1.155 174.989 176.300 -0.261 0.000 1.333 143 R CA -0.905 55.078 56.100 -0.194 0.000 1.036 143 R CB 1.766 31.993 30.300 -0.122 0.000 1.340 143 R HN 0.667 nan 8.270 nan 0.000 0.488 144 Q N -0.673 119.045 119.800 -0.137 0.000 2.391 144 Q HA 0.340 4.680 4.340 0.000 0.000 0.279 144 Q C -0.914 175.090 176.000 0.007 0.000 1.028 144 Q CA -0.872 54.887 55.803 -0.074 0.000 0.836 144 Q CB 1.658 30.385 28.738 -0.017 0.000 1.414 144 Q HN 0.633 nan 8.270 nan 0.000 0.397 145 T N -0.329 114.271 114.554 0.078 0.000 2.855 145 T HA 0.036 4.386 4.350 0.000 0.000 0.322 145 T C 1.011 175.767 174.700 0.094 0.000 1.088 145 T CA 0.621 62.801 62.100 0.133 0.000 1.104 145 T CB 0.617 69.623 68.868 0.231 0.000 0.996 145 T HN 0.637 nan 8.240 nan 0.000 0.549 146 T N 1.682 116.287 114.554 0.085 0.000 2.684 146 T HA -0.145 4.205 4.350 0.000 0.000 0.267 146 T C 1.540 176.276 174.700 0.060 0.000 1.036 146 T CA 1.800 63.938 62.100 0.063 0.000 1.148 146 T CB -0.723 68.180 68.868 0.059 0.000 0.863 146 T HN 0.964 nan 8.240 nan 0.000 0.436 147 D N 0.973 121.419 120.400 0.076 0.000 2.392 147 D HA 0.117 4.757 4.640 0.000 0.000 0.228 147 D C 1.496 177.820 176.300 0.040 0.000 1.003 147 D CA 0.776 54.812 54.000 0.060 0.000 0.917 147 D CB -1.120 39.726 40.800 0.076 0.000 0.890 147 D HN 0.485 nan 8.370 nan 0.000 0.532 148 G N 0.382 109.212 108.800 0.049 0.000 2.180 148 G HA2 -0.391 3.569 3.960 0.000 0.000 0.263 148 G HA3 -0.391 3.569 3.960 0.000 0.000 0.263 148 G C 1.213 176.094 174.900 -0.031 0.000 0.989 148 G CA 0.698 45.818 45.100 0.033 0.000 0.692 148 G HN 0.373 nan 8.290 nan 0.000 0.526 149 K N -1.090 119.257 120.400 -0.089 0.000 2.186 149 K HA 0.225 4.545 4.320 0.000 0.000 0.202 149 K C 0.573 176.739 176.600 -0.723 0.000 1.052 149 K CA 0.846 56.875 56.287 -0.430 0.000 0.965 149 K CB 0.106 32.260 32.500 -0.578 0.000 0.746 149 K HN 0.468 nan 8.250 nan 0.000 0.457 150 F N -0.120 119.809 119.950 -0.036 0.000 2.577 150 F HA 0.453 4.980 4.527 0.000 0.000 0.318 150 F C 0.207 175.929 175.800 -0.130 0.000 1.065 150 F CA -1.098 56.856 58.000 -0.078 0.000 0.929 150 F CB 1.241 40.211 39.000 -0.050 0.000 1.237 150 F HN -0.319 nan 8.300 nan 0.000 0.468 151 I N 2.595 123.160 120.570 -0.008 0.000 2.353 151 I HA 0.404 4.574 4.170 0.000 0.000 0.293 151 I C -0.946 175.083 176.117 -0.146 0.000 0.992 151 I CA -0.839 60.350 61.300 -0.184 0.000 1.268 151 I CB 1.517 39.327 38.000 -0.318 0.000 1.387 151 I HN 0.224 nan 8.210 nan 0.000 0.478 152 V N 7.542 127.312 119.914 -0.239 0.000 2.326 152 V HA 0.341 4.461 4.120 0.000 0.000 0.281 152 V C -0.194 175.741 176.094 -0.265 0.000 1.015 152 V CA -0.592 61.508 62.300 -0.332 0.000 0.823 152 V CB 1.084 32.540 31.823 -0.613 0.000 1.009 152 V HN 0.484 nan 8.190 nan 0.000 0.436 153 L N 2.618 123.766 121.223 -0.125 0.000 2.319 153 L HA 0.924 5.264 4.340 0.000 0.000 0.267 153 L C -0.463 176.377 176.870 -0.049 0.000 1.011 153 L CA -0.912 53.940 54.840 0.020 0.000 0.818 153 L CB 1.465 43.673 42.059 0.248 0.000 1.316 153 L HN 0.449 nan 8.230 nan 0.000 0.432 154 Q N 1.453 121.203 119.800 -0.083 0.000 2.241 154 Q HA 0.523 4.863 4.340 0.000 0.000 0.254 154 Q C -1.354 174.598 176.000 -0.080 0.000 0.917 154 Q CA 0.020 55.709 55.803 -0.190 0.000 0.919 154 Q CB 1.159 29.600 28.738 -0.494 0.000 1.237 154 Q HN 0.778 nan 8.270 nan 0.000 0.434 155 N N 1.458 120.160 118.700 0.003 0.000 2.362 155 N HA 0.854 5.594 4.740 0.000 0.000 0.299 155 N C -1.669 173.973 175.510 0.219 0.000 1.170 155 N CA -0.459 52.650 53.050 0.098 0.000 0.825 155 N CB 2.066 40.620 38.487 0.111 0.000 1.299 155 N HN 0.647 nan 8.380 nan 0.000 0.502 156 A N -0.151 122.796 122.820 0.211 0.000 2.491 156 A HA 0.481 4.801 4.320 0.000 0.000 0.293 156 A C -0.287 177.381 177.584 0.140 0.000 1.047 156 A CA -0.564 51.614 52.037 0.236 0.000 0.735 156 A CB 0.545 19.745 19.000 0.333 0.000 1.281 156 A HN 0.629 nan 8.150 nan 0.000 0.398 157 S N 1.379 117.142 115.700 0.105 0.000 2.900 157 S HA 0.247 4.717 4.470 0.000 0.000 0.253 157 S C -0.859 173.773 174.600 0.055 0.000 1.029 157 S CA 0.317 58.561 58.200 0.073 0.000 1.096 157 S CB -0.194 63.043 63.200 0.062 0.000 1.067 157 S HN 0.663 nan 8.310 nan 0.000 0.610 158 P HA 0.401 nan 4.420 nan 0.000 0.249 158 P C 0.291 177.628 177.300 0.062 0.000 1.241 158 P CA 0.026 63.158 63.100 0.053 0.000 0.781 158 P CB -0.194 31.518 31.700 0.021 0.000 1.088 159 A N 1.457 124.316 122.820 0.064 0.000 2.492 159 A HA 0.363 4.683 4.320 0.000 0.000 0.254 159 A C 0.828 178.483 177.584 0.118 0.000 1.091 159 A CA -0.048 52.033 52.037 0.072 0.000 0.768 159 A CB -0.242 18.793 19.000 0.059 0.000 1.028 159 A HN 0.396 nan 8.150 nan 0.000 0.498 160 T N 0.833 115.477 114.554 0.150 0.000 2.910 160 T HA 0.631 4.981 4.350 0.000 0.000 0.293 160 T C 0.104 174.903 174.700 0.165 0.000 1.015 160 T CA 0.164 62.402 62.100 0.230 0.000 1.094 160 T CB 0.738 69.821 68.868 0.358 0.000 0.968 160 T HN 1.728 nan 8.240 nan 0.000 0.521 161 S N 1.592 117.384 115.700 0.153 0.000 2.567 161 S HA 0.602 5.072 4.470 0.000 0.000 0.270 161 S C -1.154 173.499 174.600 0.087 0.000 1.152 161 S CA -1.188 57.081 58.200 0.114 0.000 0.835 161 S CB 0.771 64.039 63.200 0.112 0.000 1.115 161 S HN 0.807 nan 8.310 nan 0.000 0.459 162 I N 1.636 122.247 120.570 0.068 0.000 2.354 162 I HA 0.573 4.743 4.170 0.000 0.000 0.292 162 I C 0.808 176.936 176.117 0.020 0.000 0.989 162 I CA -0.618 60.689 61.300 0.012 0.000 1.188 162 I CB 1.613 39.611 38.000 -0.002 0.000 1.342 162 I HN 0.931 nan 8.210 nan 0.000 0.457 163 G N 7.007 115.822 108.800 0.026 0.000 2.367 163 G HA2 0.624 4.584 3.960 0.000 0.000 0.314 163 G HA3 0.624 4.584 3.960 0.000 0.000 0.314 163 G C -0.603 174.208 174.900 -0.148 0.000 1.130 163 G CA -0.362 44.752 45.100 0.023 0.000 0.864 163 G HN 0.341 nan 8.290 nan 0.000 0.486 164 I N 1.796 122.143 120.570 -0.371 0.000 2.406 164 I HA 0.321 4.491 4.170 0.000 0.000 0.290 164 I C -0.439 175.543 176.117 -0.227 0.000 0.999 164 I CA -0.941 60.213 61.300 -0.244 0.000 1.124 164 I CB 1.554 39.425 38.000 -0.215 0.000 1.289 164 I HN 0.053 nan 8.210 nan 0.000 0.441 165 V N 5.239 125.140 119.914 -0.022 0.000 2.407 165 V HA 0.233 4.354 4.120 0.000 0.000 0.291 165 V C 0.014 176.172 176.094 0.107 0.000 1.018 165 V CA -0.729 61.596 62.300 0.040 0.000 0.842 165 V CB 1.970 33.818 31.823 0.042 0.000 0.996 165 V HN 0.640 nan 8.190 nan 0.000 0.426 166 D N 4.565 125.034 120.400 0.115 0.000 2.402 166 D HA 0.104 4.744 4.640 0.000 0.000 0.235 166 D C 1.163 177.393 176.300 -0.117 0.000 1.226 166 D CA 0.072 54.069 54.000 -0.005 0.000 0.918 166 D CB 1.633 42.468 40.800 0.059 0.000 1.043 166 D HN 0.288 nan 8.370 nan 0.000 0.506 167 V N 4.607 124.396 119.914 -0.209 0.000 2.278 167 V HA -0.334 3.786 4.120 0.000 0.000 0.251 167 V C 2.559 178.579 176.094 -0.125 0.000 1.062 167 V CA 2.366 64.552 62.300 -0.190 0.000 1.038 167 V CB -0.818 30.872 31.823 -0.222 0.000 0.646 167 V HN 0.679 nan 8.190 nan 0.000 0.447 168 A N -0.516 122.214 122.820 -0.149 0.000 1.877 168 A HA -0.230 4.090 4.320 0.000 0.000 0.216 168 A C 2.244 179.788 177.584 -0.066 0.000 1.186 168 A CA 1.969 53.946 52.037 -0.099 0.000 0.620 168 A CB -0.436 18.493 19.000 -0.119 0.000 0.822 168 A HN 0.549 nan 8.150 nan 0.000 0.443 169 K N -1.079 119.284 120.400 -0.063 0.000 2.486 169 K HA 0.150 4.470 4.320 0.000 0.000 0.194 169 K C 0.908 177.502 176.600 -0.009 0.000 1.033 169 K CA 0.407 56.679 56.287 -0.025 0.000 1.004 169 K CB -0.234 32.263 32.500 -0.005 0.000 0.798 169 K HN 0.636 nan 8.250 nan 0.000 0.495 170 G N 2.818 111.606 108.800 -0.020 0.000 2.395 170 G HA2 -0.266 3.694 3.960 0.000 0.000 0.300 170 G HA3 -0.266 3.694 3.960 0.000 0.000 0.300 170 G C -0.577 174.346 174.900 0.038 0.000 0.998 170 G CA 0.759 45.859 45.100 0.001 0.000 1.046 170 G HN 0.415 nan 8.290 nan 0.000 0.513 171 D N -1.458 118.973 120.400 0.053 0.000 2.661 171 D HA 0.378 5.018 4.640 0.000 0.000 0.228 171 D C -0.740 175.644 176.300 0.141 0.000 1.183 171 D CA -0.768 53.290 54.000 0.097 0.000 0.844 171 D CB 1.417 42.263 40.800 0.077 0.000 1.555 171 D HN 0.027 nan 8.370 nan 0.000 0.453 172 Y N 2.736 123.061 120.300 0.042 0.000 2.486 172 Y HA 0.231 4.781 4.550 0.000 0.000 0.348 172 Y C 1.036 176.965 175.900 0.050 0.000 1.000 172 Y CA 0.236 58.364 58.100 0.047 0.000 1.253 172 Y CB 0.686 39.171 38.460 0.041 0.000 1.140 172 Y HN 0.193 nan 8.280 nan 0.000 0.526 173 V N 1.546 121.358 119.914 -0.170 0.000 3.645 173 V HA 0.403 4.523 4.120 0.000 0.000 0.275 173 V C -0.375 175.615 176.094 -0.173 0.000 1.356 173 V CA 0.522 62.763 62.300 -0.097 0.000 1.051 173 V CB 0.426 32.250 31.823 0.002 0.000 0.828 173 V HN 0.623 nan 8.190 nan 0.000 0.441 174 E N 0.067 120.046 120.200 -0.368 0.000 2.352 174 E HA 0.420 4.770 4.350 0.000 0.000 0.280 174 E C -2.028 174.375 176.600 -0.329 0.000 0.930 174 E CA -0.329 55.918 56.400 -0.255 0.000 0.765 174 E CB 1.934 31.526 29.700 -0.180 0.000 1.219 174 E HN 0.210 nan 8.360 nan 0.000 0.434 175 D N 3.850 124.187 120.400 -0.107 0.000 2.446 175 D HA 0.243 4.883 4.640 0.000 0.000 0.251 175 D C -0.816 175.503 176.300 0.033 0.000 1.137 175 D CA -0.419 53.592 54.000 0.017 0.000 0.890 175 D CB 1.356 42.259 40.800 0.171 0.000 1.071 175 D HN 0.268 nan 8.370 nan 0.000 0.528 176 V N 4.259 124.193 119.914 0.034 0.000 2.341 176 V HA 0.025 4.145 4.120 0.000 0.000 0.248 176 V C 1.884 178.018 176.094 0.067 0.000 1.107 176 V CA 0.337 62.669 62.300 0.052 0.000 1.069 176 V CB -0.015 31.864 31.823 0.093 0.000 1.177 176 V HN 0.601 nan 8.190 nan 0.000 0.492 177 T N 0.473 115.062 114.554 0.057 0.000 3.100 177 T HA 0.098 4.448 4.350 0.000 0.000 0.253 177 T C 1.709 176.439 174.700 0.050 0.000 1.118 177 T CA 0.654 62.790 62.100 0.060 0.000 1.058 177 T CB 0.285 69.185 68.868 0.054 0.000 0.953 177 T HN 0.596 nan 8.240 nan 0.000 0.515 178 A N 1.335 124.179 122.820 0.041 0.000 2.066 178 A HA 0.561 4.881 4.320 0.000 0.000 0.218 178 A C 2.427 180.036 177.584 0.041 0.000 1.157 178 A CA 0.931 52.986 52.037 0.030 0.000 0.670 178 A CB -0.860 18.148 19.000 0.014 0.000 0.804 178 A HN 0.695 nan 8.150 nan 0.000 0.453 179 A N -0.428 122.430 122.820 0.063 0.000 2.259 179 A HA 0.584 4.904 4.320 0.000 0.000 0.208 179 A C 1.184 178.823 177.584 0.092 0.000 1.201 179 A CA 0.482 52.568 52.037 0.082 0.000 0.824 179 A CB -0.979 18.088 19.000 0.111 0.000 0.838 179 A HN 0.894 nan 8.150 nan 0.000 0.485 180 A N -0.958 121.908 122.820 0.078 0.000 2.540 180 A HA 0.438 4.758 4.320 0.000 0.000 0.239 180 A C 1.602 179.229 177.584 0.070 0.000 1.061 180 A CA 0.665 52.751 52.037 0.081 0.000 0.758 180 A CB -0.493 18.543 19.000 0.060 0.000 0.991 180 A HN 1.938 nan 8.150 nan 0.000 0.502 181 G N 0.403 109.251 108.800 0.080 0.000 2.175 181 G HA2 -0.226 3.734 3.960 0.000 0.000 0.244 181 G HA3 -0.226 3.734 3.960 0.000 0.000 0.244 181 G C 0.297 175.244 174.900 0.078 0.000 0.982 181 G CA 0.226 45.358 45.100 0.052 0.000 0.641 181 G HN 1.231 nan 8.290 nan 0.000 0.527 182 c N -0.947 117.737 118.600 0.140 0.000 2.803 182 c HA 0.955 5.525 4.570 0.000 0.000 0.389 182 c C 0.083 174.390 174.090 0.362 0.000 1.433 182 c CA -0.878 55.560 56.329 0.182 0.000 1.714 182 c CB 1.690 44.281 42.510 0.135 0.000 2.106 182 c HN 0.535 nan 8.230 nan 0.000 0.480 183 W N 0.497 121.810 121.300 0.022 0.000 3.363 183 W HA 0.470 5.130 4.660 0.000 0.000 0.306 183 W C -0.552 175.983 176.519 0.028 0.000 1.253 183 W CA 0.173 57.530 57.345 0.020 0.000 1.195 183 W CB 1.811 31.269 29.460 -0.002 0.000 1.366 183 W HN 1.222 nan 8.180 nan 0.000 0.551 184 S N 0.891 116.266 115.700 -0.540 0.000 3.547 184 S HA -0.209 4.261 4.470 0.000 0.000 0.832 184 S C -1.544 172.969 174.600 -0.145 0.000 1.254 184 S CA -0.074 57.904 58.200 -0.369 0.000 0.991 184 S CB -1.260 61.826 63.200 -0.190 0.000 0.544 184 S HN 0.873 nan 8.310 nan 0.000 0.369 185 V N 2.457 122.296 119.914 -0.125 0.000 2.444 185 V HA 0.576 4.696 4.120 0.000 0.000 0.294 185 V C 0.129 176.221 176.094 -0.003 0.000 1.022 185 V CA -0.570 61.671 62.300 -0.098 0.000 0.850 185 V CB 1.368 33.011 31.823 -0.300 0.000 0.992 185 V HN 0.755 nan 8.190 nan 0.000 0.426 186 I N 7.087 127.708 120.570 0.085 0.000 2.388 186 I HA 0.353 4.523 4.170 0.000 0.000 0.281 186 I C -2.469 173.694 176.117 0.076 0.000 1.046 186 I CA -1.915 59.448 61.300 0.106 0.000 1.187 186 I CB 1.561 39.673 38.000 0.187 0.000 1.351 186 I HN 0.390 nan 8.210 nan 0.000 0.472 187 P HA 0.051 nan 4.420 nan 0.000 0.269 187 P C -0.929 176.334 177.300 -0.062 0.000 1.209 187 P CA -0.120 63.006 63.100 0.044 0.000 0.776 187 P CB 0.450 32.176 31.700 0.044 0.000 0.876 188 Q N 4.107 123.810 119.800 -0.161 0.000 2.398 188 Q HA 0.181 4.521 4.340 0.000 0.000 0.251 188 Q C -1.693 174.314 176.000 0.012 0.000 0.999 188 Q CA -1.671 53.935 55.803 -0.327 0.000 0.874 188 Q CB 0.871 29.214 28.738 -0.659 0.000 1.215 188 Q HN 0.347 nan 8.270 nan 0.000 0.470 189 P HA -0.167 nan 4.420 nan 0.000 0.226 189 P C 0.341 177.724 177.300 0.137 0.000 1.146 189 P CA 1.081 64.264 63.100 0.138 0.000 0.773 189 P CB 0.189 31.977 31.700 0.147 0.000 0.772 190 N N -0.889 117.933 118.700 0.203 0.000 2.279 190 N HA 0.057 4.797 4.740 0.000 0.000 0.226 190 N C -0.024 175.550 175.510 0.107 0.000 1.126 190 N CA -0.030 53.114 53.050 0.157 0.000 0.846 190 N CB 0.156 38.766 38.487 0.205 0.000 1.050 190 N HN 0.071 nan 8.380 nan 0.000 0.502 191 R N 0.134 120.678 120.500 0.073 0.000 2.604 191 R HA 0.276 4.616 4.340 0.000 0.000 0.270 191 R C -2.019 174.303 176.300 0.038 0.000 1.052 191 R CA -1.315 54.808 56.100 0.039 0.000 0.902 191 R CB 2.382 32.684 30.300 0.003 0.000 1.233 191 R HN -0.118 nan 8.270 nan 0.000 0.455 192 P HA -0.182 nan 4.420 nan 0.000 0.215 192 P C -0.298 177.052 177.300 0.084 0.000 1.153 192 P CA 1.504 64.640 63.100 0.060 0.000 0.853 192 P CB 0.298 32.033 31.700 0.059 0.000 0.788 193 R N -1.579 118.954 120.500 0.055 0.000 2.640 193 R HA 0.574 4.914 4.340 0.000 0.000 0.240 193 R C -0.920 175.362 176.300 -0.030 0.000 1.519 193 R CA -0.345 55.794 56.100 0.064 0.000 1.570 193 R CB 0.014 30.363 30.300 0.081 0.000 1.446 193 R HN -0.219 nan 8.270 nan 0.000 0.738 194 S N 1.545 117.219 115.700 -0.045 0.000 2.548 194 S HA 0.838 5.308 4.470 0.000 0.000 0.286 194 S C -0.997 173.531 174.600 -0.119 0.000 1.098 194 S CA -0.702 57.375 58.200 -0.205 0.000 0.930 194 S CB 1.324 64.406 63.200 -0.198 0.000 1.070 194 S HN 0.436 nan 8.310 nan 0.000 0.480 195 F N -0.622 119.242 119.950 -0.145 0.000 2.686 195 F HA 0.812 5.339 4.527 0.000 0.000 0.311 195 F C -1.255 174.469 175.800 -0.127 0.000 1.128 195 F CA -1.350 56.562 58.000 -0.146 0.000 0.946 195 F CB 0.920 39.860 39.000 -0.100 0.000 1.336 195 F HN 0.423 nan 8.300 nan 0.000 0.457 196 M N 1.080 120.793 119.600 0.188 0.000 2.727 196 M HA 0.727 5.207 4.480 0.000 0.000 0.300 196 M C -0.966 175.449 176.300 0.192 0.000 1.246 196 M CA -0.837 54.537 55.300 0.122 0.000 0.835 196 M CB 2.558 35.183 32.600 0.042 0.000 1.755 196 M HN 0.834 nan 8.290 nan 0.000 0.473 197 T N 0.813 115.448 114.554 0.135 0.000 2.956 197 T HA 0.646 4.997 4.350 0.000 0.000 0.312 197 T C -1.461 173.288 174.700 0.083 0.000 1.151 197 T CA -0.657 61.512 62.100 0.114 0.000 1.024 197 T CB 1.042 69.984 68.868 0.125 0.000 1.140 197 T HN 0.563 nan 8.240 nan 0.000 0.473 198 I N 3.883 124.500 120.570 0.079 0.000 2.416 198 I HA 0.355 4.525 4.170 0.000 0.000 0.288 198 I C 0.491 176.674 176.117 0.110 0.000 1.051 198 I CA -0.616 60.726 61.300 0.071 0.000 1.375 198 I CB 0.430 38.450 38.000 0.034 0.000 1.407 198 I HN 0.570 nan 8.210 nan 0.000 0.516 199 c N 3.557 122.202 118.600 0.074 0.000 2.407 199 c HA 0.448 5.018 4.570 0.000 0.000 0.366 199 c C 1.727 175.810 174.090 -0.011 0.000 1.213 199 c CA -0.595 55.759 56.329 0.041 0.000 2.011 199 c CB 1.283 43.801 42.510 0.012 0.000 2.306 199 c HN 0.968 nan 8.230 nan 0.000 0.527 200 G N 0.492 109.273 108.800 -0.032 0.000 3.094 200 G HA2 -0.024 3.936 3.960 0.000 0.000 0.208 200 G HA3 -0.024 3.936 3.960 0.000 0.000 0.208 200 G C 0.522 175.332 174.900 -0.149 0.000 1.189 200 G CA 0.647 45.697 45.100 -0.084 0.000 0.856 200 G HN 0.928 nan 8.290 nan 0.000 0.510 201 D N -1.454 118.843 120.400 -0.171 0.000 2.501 201 D HA 0.180 4.821 4.640 0.000 0.000 0.224 201 D C 1.460 177.561 176.300 -0.331 0.000 1.202 201 D CA -0.033 53.844 54.000 -0.203 0.000 0.829 201 D CB -0.365 40.359 40.800 -0.127 0.000 1.023 201 D HN 0.260 nan 8.370 nan 0.000 0.499 202 G N -0.371 108.096 108.800 -0.554 0.000 2.166 202 G HA2 -0.165 3.795 3.960 0.000 0.000 0.260 202 G HA3 -0.165 3.795 3.960 0.000 0.000 0.260 202 G C 0.574 175.199 174.900 -0.459 0.000 0.986 202 G CA 0.253 44.734 45.100 -1.031 0.000 0.683 202 G HN 0.842 nan 8.290 nan 0.000 0.527 203 G N -1.336 107.343 108.800 -0.203 0.000 2.735 203 G HA2 0.746 4.706 3.960 0.000 0.000 0.301 203 G HA3 0.746 4.706 3.960 0.000 0.000 0.301 203 G C -0.704 174.193 174.900 -0.006 0.000 1.279 203 G CA -1.180 43.878 45.100 -0.070 0.000 1.019 203 G HN 0.637 nan 8.290 nan 0.000 0.497 204 L N 0.392 121.620 121.223 0.009 0.000 2.333 204 L HA 0.403 4.743 4.340 0.000 0.000 0.280 204 L C -0.889 175.992 176.870 0.019 0.000 1.004 204 L CA -0.857 53.997 54.840 0.024 0.000 0.820 204 L CB 1.991 44.075 42.059 0.043 0.000 1.247 204 L HN 0.331 nan 8.230 nan 0.000 0.416 205 L N 3.294 124.531 121.223 0.022 0.000 2.260 205 L HA 0.427 4.767 4.340 0.000 0.000 0.289 205 L C -0.054 176.805 176.870 -0.018 0.000 1.057 205 L CA 0.497 55.340 54.840 0.004 0.000 0.811 205 L CB 1.226 43.297 42.059 0.019 0.000 1.184 205 L HN 0.473 nan 8.230 nan 0.000 0.429 206 T N 6.728 121.244 114.554 -0.062 0.000 2.771 206 T HA 0.533 4.883 4.350 0.000 0.000 0.291 206 T C 0.002 174.561 174.700 -0.236 0.000 0.954 206 T CA -0.215 61.802 62.100 -0.139 0.000 1.045 206 T CB 0.526 69.326 68.868 -0.114 0.000 0.917 206 T HN 0.348 nan 8.240 nan 0.000 0.484 207 I N 3.997 124.286 120.570 -0.468 0.000 2.441 207 I HA 0.410 4.580 4.170 0.000 0.000 0.295 207 I C -0.175 175.513 176.117 -0.716 0.000 0.994 207 I CA -0.854 60.068 61.300 -0.630 0.000 1.144 207 I CB 1.718 39.148 38.000 -0.949 0.000 1.314 207 I HN 0.524 nan 8.210 nan 0.000 0.445 208 N N 7.008 125.443 118.700 -0.442 0.000 2.448 208 N HA 0.497 5.237 4.740 0.000 0.000 0.279 208 N C -0.749 174.598 175.510 -0.272 0.000 1.025 208 N CA -0.488 52.363 53.050 -0.333 0.000 0.898 208 N CB 2.643 41.005 38.487 -0.207 0.000 1.303 208 N HN 0.420 nan 8.380 nan 0.000 0.495 209 L N 0.634 121.695 121.223 -0.269 0.000 2.399 209 L HA 0.575 4.915 4.340 0.000 0.000 0.266 209 L C 1.556 178.308 176.870 -0.195 0.000 1.114 209 L CA -0.726 53.960 54.840 -0.257 0.000 0.804 209 L CB 0.785 42.620 42.059 -0.373 0.000 1.146 209 L HN 0.426 nan 8.230 nan 0.000 0.451 210 G N 0.304 109.001 108.800 -0.172 0.000 2.510 210 G HA2 0.176 4.136 3.960 0.000 0.000 0.280 210 G HA3 0.176 4.136 3.960 0.000 0.000 0.280 210 G C 0.446 175.304 174.900 -0.071 0.000 1.386 210 G CA -0.306 44.735 45.100 -0.098 0.000 1.047 210 G HN 0.784 nan 8.290 nan 0.000 0.527 211 E N -0.142 120.059 120.200 0.001 0.000 2.051 211 E HA -0.125 4.226 4.350 0.000 0.000 0.192 211 E C 1.240 177.934 176.600 0.157 0.000 0.991 211 E CA 1.391 57.840 56.400 0.081 0.000 0.799 211 E CB 0.086 29.823 29.700 0.062 0.000 0.748 211 E HN 0.457 nan 8.360 nan 0.000 0.449 212 D N -1.410 119.044 120.400 0.089 0.000 2.319 212 D HA 0.083 4.723 4.640 0.000 0.000 0.230 212 D C 1.085 177.460 176.300 0.125 0.000 1.094 212 D CA 0.741 54.826 54.000 0.143 0.000 0.856 212 D CB 0.849 41.695 40.800 0.077 0.000 0.915 212 D HN 0.349 nan 8.370 nan 0.000 0.517 213 G N 0.585 109.319 108.800 -0.110 0.000 2.218 213 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 213 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 213 G C 0.287 174.994 174.900 -0.323 0.000 0.994 213 G CA -0.468 44.361 45.100 -0.452 0.000 0.637 213 G HN 0.333 nan 8.290 nan 0.000 0.505 214 K N 0.672 120.965 120.400 -0.179 0.000 2.118 214 K HA 0.581 4.901 4.320 0.000 0.000 0.264 214 K C 0.647 177.164 176.600 -0.139 0.000 1.000 214 K CA -0.692 55.514 56.287 -0.136 0.000 0.929 214 K CB 2.191 34.643 32.500 -0.080 0.000 1.021 214 K HN 0.032 nan 8.250 nan 0.000 0.463 215 V N 3.039 122.884 119.914 -0.116 0.000 2.486 215 V HA -0.134 3.986 4.120 0.000 0.000 0.290 215 V C 1.168 177.201 176.094 -0.103 0.000 0.991 215 V CA 0.674 62.903 62.300 -0.119 0.000 1.142 215 V CB -0.053 31.716 31.823 -0.090 0.000 0.926 215 V HN 1.008 nan 8.190 nan 0.000 0.472 216 A N 4.589 127.339 122.820 -0.117 0.000 1.911 216 A HA 0.315 4.635 4.320 0.000 0.000 0.212 216 A C 1.036 178.570 177.584 -0.083 0.000 1.189 216 A CA 1.002 52.985 52.037 -0.090 0.000 0.639 216 A CB 0.105 19.052 19.000 -0.089 0.000 0.839 216 A HN 1.035 nan 8.150 nan 0.000 0.449 217 S N -1.542 114.095 115.700 -0.105 0.000 2.587 217 S HA 0.575 5.046 4.470 0.000 0.000 0.269 217 S C -1.181 173.347 174.600 -0.121 0.000 1.154 217 S CA -0.487 57.657 58.200 -0.094 0.000 0.824 217 S CB 1.123 64.277 63.200 -0.077 0.000 1.118 217 S HN 0.885 nan 8.310 nan 0.000 0.462 218 Q N -0.360 119.381 119.800 -0.097 0.000 2.479 218 Q HA 0.734 5.074 4.340 0.000 0.000 0.276 218 Q C -1.592 174.367 176.000 -0.069 0.000 0.989 218 Q CA -0.876 54.864 55.803 -0.105 0.000 0.864 218 Q CB 1.701 30.379 28.738 -0.101 0.000 1.444 218 Q HN 1.215 nan 8.270 nan 0.000 0.388 219 S N 1.244 116.906 115.700 -0.064 0.000 2.588 219 S HA 0.692 5.162 4.470 0.000 0.000 0.275 219 S C -1.139 173.445 174.600 -0.028 0.000 1.130 219 S CA -1.005 57.172 58.200 -0.038 0.000 0.855 219 S CB 2.292 65.475 63.200 -0.029 0.000 1.116 219 S HN 0.685 nan 8.310 nan 0.000 0.472 220 R N 1.746 122.235 120.500 -0.018 0.000 2.295 220 R HA 0.519 4.859 4.340 0.000 0.000 0.324 220 R C 0.317 176.615 176.300 -0.003 0.000 0.968 220 R CA -0.370 55.723 56.100 -0.012 0.000 0.837 220 R CB 1.738 32.029 30.300 -0.016 0.000 1.133 220 R HN 0.942 nan 8.270 nan 0.000 0.450 221 S N 2.565 118.269 115.700 0.007 0.000 2.596 221 S HA 0.169 4.640 4.470 0.000 0.000 0.260 221 S C 0.290 174.893 174.600 0.005 0.000 1.336 221 S CA -0.546 57.666 58.200 0.020 0.000 0.993 221 S CB 1.102 64.327 63.200 0.042 0.000 0.923 221 S HN 0.415 nan 8.310 nan 0.000 0.567 222 K N 0.220 120.628 120.400 0.013 0.000 2.132 222 K HA 0.123 4.443 4.320 0.000 0.000 0.240 222 K C 0.361 176.951 176.600 -0.017 0.000 1.036 222 K CA -0.435 55.852 56.287 -0.001 0.000 0.888 222 K CB 0.170 32.678 32.500 0.013 0.000 1.071 222 K HN 0.703 nan 8.250 nan 0.000 0.502 223 Q N 1.850 121.624 119.800 -0.043 0.000 2.262 223 Q HA -0.061 4.279 4.340 0.000 0.000 0.272 223 Q C 0.604 176.573 176.000 -0.052 0.000 1.076 223 Q CA 0.123 55.870 55.803 -0.094 0.000 0.905 223 Q CB 0.601 29.264 28.738 -0.125 0.000 1.182 223 Q HN 0.586 nan 8.270 nan 0.000 0.390 224 M N 5.476 125.044 119.600 -0.052 0.000 2.325 224 M HA 0.139 4.619 4.480 0.000 0.000 0.265 224 M C -0.581 175.661 176.300 -0.095 0.000 1.094 224 M CA 0.789 56.106 55.300 0.029 0.000 1.161 224 M CB 0.495 33.149 32.600 0.090 0.000 1.358 224 M HN 0.596 nan 8.290 nan 0.000 0.446 225 F N -1.518 118.168 119.950 -0.439 0.000 2.620 225 F HA 0.600 5.127 4.527 0.000 0.000 0.320 225 F C -0.603 175.009 175.800 -0.312 0.000 1.069 225 F CA -1.280 56.335 58.000 -0.641 0.000 0.953 225 F CB 1.114 39.488 39.000 -1.043 0.000 1.322 225 F HN -0.247 nan 8.300 nan 0.000 0.479 226 S N 1.917 117.506 115.700 -0.186 0.000 2.411 226 S HA 0.266 4.736 4.470 0.000 0.000 0.304 226 S C 0.873 175.360 174.600 -0.189 0.000 1.098 226 S CA -0.568 57.514 58.200 -0.197 0.000 1.068 226 S CB 0.230 63.417 63.200 -0.021 0.000 1.032 226 S HN 0.633 nan 8.310 nan 0.000 0.511 227 V N 6.185 125.824 119.914 -0.459 0.000 2.317 227 V HA -0.216 3.904 4.120 0.000 0.000 0.251 227 V C 2.528 178.547 176.094 -0.126 0.000 1.065 227 V CA 2.364 64.501 62.300 -0.272 0.000 1.049 227 V CB -0.663 30.968 31.823 -0.320 0.000 0.651 227 V HN 0.844 nan 8.190 nan 0.000 0.450 228 K N -0.153 120.174 120.400 -0.121 0.000 2.020 228 K HA -0.128 4.192 4.320 0.000 0.000 0.206 228 K C 1.826 178.408 176.600 -0.030 0.000 1.038 228 K CA 1.497 57.734 56.287 -0.083 0.000 0.947 228 K CB -0.220 32.239 32.500 -0.069 0.000 0.744 228 K HN 0.398 nan 8.250 nan 0.000 0.442 229 D N 0.412 120.818 120.400 0.010 0.000 2.312 229 D HA -0.092 4.548 4.640 0.000 0.000 0.211 229 D C -0.035 176.398 176.300 0.222 0.000 0.964 229 D CA 1.048 55.100 54.000 0.086 0.000 0.877 229 D CB 0.169 41.001 40.800 0.053 0.000 0.924 229 D HN 0.226 nan 8.370 nan 0.000 0.515 230 D N -0.447 120.057 120.400 0.173 0.000 3.407 230 D HA 0.096 4.736 4.640 0.000 0.000 0.291 230 D C -2.679 173.663 176.300 0.070 0.000 1.309 230 D CA -1.413 52.731 54.000 0.239 0.000 0.747 230 D CB 0.927 41.947 40.800 0.366 0.000 1.343 230 D HN -0.115 nan 8.370 nan 0.000 0.631 231 P HA 0.084 nan 4.420 nan 0.000 0.264 231 P C 0.253 177.274 177.300 -0.465 0.000 1.183 231 P CA -0.058 62.814 63.100 -0.381 0.000 0.763 231 P CB 0.737 31.905 31.700 -0.887 0.000 0.807 232 I N -0.817 119.404 120.570 -0.581 0.000 2.707 232 I HA 0.492 4.662 4.170 0.000 0.000 0.309 232 I C -0.201 175.773 176.117 -0.239 0.000 1.001 232 I CA -1.419 59.632 61.300 -0.416 0.000 1.129 232 I CB 0.856 38.425 38.000 -0.719 0.000 1.308 232 I HN -0.012 nan 8.210 nan 0.000 0.466 233 F N 3.607 123.574 119.950 0.029 0.000 2.443 233 F HA 0.267 4.794 4.527 0.000 0.000 0.353 233 F C 1.576 177.440 175.800 0.106 0.000 1.101 233 F CA -0.396 57.663 58.000 0.098 0.000 1.226 233 F CB 1.114 40.189 39.000 0.125 0.000 1.140 233 F HN 0.517 nan 8.300 nan 0.000 0.557 234 I N 0.713 121.414 120.570 0.218 0.000 2.756 234 I HA 0.072 4.242 4.170 0.000 0.000 0.262 234 I C 1.072 177.386 176.117 0.328 0.000 1.225 234 I CA 0.229 61.646 61.300 0.194 0.000 1.472 234 I CB -0.682 37.367 38.000 0.080 0.000 1.094 234 I HN 0.440 nan 8.210 nan 0.000 0.454 235 A N 3.910 126.941 122.820 0.352 0.000 2.492 235 A HA 0.481 4.801 4.320 0.000 0.000 0.254 235 A C -2.306 175.408 177.584 0.217 0.000 1.091 235 A CA -0.894 51.320 52.037 0.294 0.000 0.768 235 A CB -0.494 18.679 19.000 0.288 0.000 1.028 235 A HN 0.297 nan 8.150 nan 0.000 0.498 236 P HA 0.540 nan 4.420 nan 0.000 0.292 236 P C -1.040 176.163 177.300 -0.162 0.000 1.308 236 P CA -0.636 62.318 63.100 -0.242 0.000 0.933 236 P CB 2.063 33.581 31.700 -0.303 0.000 1.217 237 A N 2.796 125.481 122.820 -0.225 0.000 2.444 237 A HA 0.434 4.754 4.320 0.000 0.000 0.332 237 A C -0.527 177.027 177.584 -0.049 0.000 1.430 237 A CA -0.459 51.551 52.037 -0.045 0.000 0.975 237 A CB -0.699 18.332 19.000 0.052 0.000 1.147 237 A HN 0.487 nan 8.150 nan 0.000 0.524 238 L N 2.629 123.843 121.223 -0.015 0.000 2.264 238 L HA 0.470 4.810 4.340 0.000 0.000 0.289 238 L C -0.258 176.639 176.870 0.044 0.000 1.044 238 L CA 0.056 54.906 54.840 0.016 0.000 0.807 238 L CB 0.935 43.023 42.059 0.049 0.000 1.192 238 L HN 0.684 nan 8.230 nan 0.000 0.425 239 D N 2.296 122.713 120.400 0.028 0.000 2.549 239 D HA 0.172 4.812 4.640 0.000 0.000 0.270 239 D C 0.632 176.946 176.300 0.025 0.000 1.181 239 D CA -0.382 53.624 54.000 0.010 0.000 1.070 239 D CB 1.657 42.447 40.800 -0.018 0.000 1.154 239 D HN 0.556 nan 8.370 nan 0.000 0.602 240 K N -0.535 119.864 120.400 -0.002 0.000 2.148 240 K HA -0.102 4.219 4.320 0.000 0.000 0.204 240 K C 0.664 177.284 176.600 0.033 0.000 1.050 240 K CA 1.518 57.830 56.287 0.040 0.000 0.942 240 K CB 0.185 32.692 32.500 0.013 0.000 0.724 240 K HN 0.426 nan 8.250 nan 0.000 0.446 241 D N -0.461 119.790 120.400 -0.248 0.000 2.620 241 D HA 0.043 4.683 4.640 0.000 0.000 0.260 241 D C -0.758 174.636 176.300 -1.509 0.000 1.367 241 D CA -0.355 53.221 54.000 -0.707 0.000 0.805 241 D CB 0.347 40.957 40.800 -0.317 0.000 1.096 241 D HN 0.250 nan 8.370 nan 0.000 0.488 242 K N -1.108 118.583 120.400 -1.182 0.000 2.625 242 K HA 0.690 5.010 4.320 0.000 0.000 0.284 242 K C -2.088 174.307 176.600 -0.341 0.000 0.984 242 K CA -1.022 54.770 56.287 -0.825 0.000 0.865 242 K CB 1.598 33.804 32.500 -0.490 0.000 1.468 242 K HN -0.043 nan 8.250 nan 0.000 0.407 243 A N 1.795 124.489 122.820 -0.211 0.000 2.393 243 A HA 0.606 4.926 4.320 0.000 0.000 0.306 243 A C -1.417 175.863 177.584 -0.506 0.000 1.050 243 A CA -0.771 51.100 52.037 -0.277 0.000 0.724 243 A CB 0.943 19.911 19.000 -0.053 0.000 1.248 243 A HN 0.699 nan 8.150 nan 0.000 0.424 244 H N 0.895 119.786 119.070 -0.299 0.000 2.492 244 H HA 0.667 5.224 4.556 0.000 0.000 0.345 244 H C -1.425 173.629 175.328 -0.456 0.000 1.136 244 H CA -0.076 55.882 56.048 -0.150 0.000 1.202 244 H CB 1.463 31.224 29.762 -0.001 0.000 1.524 244 H HN 0.538 nan 8.280 nan 0.000 0.506 245 F N 0.330 120.406 119.950 0.210 0.000 2.588 245 F HA 0.380 4.907 4.527 0.000 0.000 0.314 245 F C 0.105 175.972 175.800 0.112 0.000 1.069 245 F CA -1.131 56.952 58.000 0.139 0.000 0.931 245 F CB 1.755 40.803 39.000 0.081 0.000 1.260 245 F HN 0.233 nan 8.300 nan 0.000 0.465 246 V N -0.628 119.460 119.914 0.290 0.000 2.667 246 V HA 0.859 4.979 4.120 0.000 0.000 0.308 246 V C -0.207 176.103 176.094 0.361 0.000 1.048 246 V CA -0.855 61.564 62.300 0.200 0.000 0.928 246 V CB 1.146 32.998 31.823 0.048 0.000 1.004 246 V HN 0.857 nan 8.190 nan 0.000 0.444 247 S N 2.595 118.451 115.700 0.260 0.000 2.693 247 S HA 0.453 4.923 4.470 0.000 0.000 0.276 247 S C 0.582 175.343 174.600 0.268 0.000 1.192 247 S CA -0.509 57.829 58.200 0.230 0.000 0.994 247 S CB 0.667 63.996 63.200 0.216 0.000 1.012 247 S HN 0.710 nan 8.310 nan 0.000 0.550 248 Y N -0.507 119.627 120.300 -0.277 0.000 2.403 248 Y HA -0.140 4.410 4.550 0.000 0.000 0.291 248 Y C 1.083 176.762 175.900 -0.368 0.000 1.143 248 Y CA 1.034 58.881 58.100 -0.422 0.000 1.257 248 Y CB -0.236 37.710 38.460 -0.856 0.000 0.984 248 Y HN 0.725 nan 8.280 nan 0.000 0.550 249 Y N -1.485 118.939 120.300 0.206 0.000 2.458 249 Y HA 0.305 4.855 4.550 0.000 0.000 0.256 249 Y C 1.591 177.530 175.900 0.065 0.000 1.159 249 Y CA 0.039 58.206 58.100 0.112 0.000 1.261 249 Y CB 0.960 39.473 38.460 0.089 0.000 1.119 249 Y HN 0.085 nan 8.280 nan 0.000 0.524 250 G N 0.341 109.231 108.800 0.149 0.000 2.144 250 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 250 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 250 G C -0.251 174.615 174.900 -0.056 0.000 0.988 250 G CA -0.465 44.658 45.100 0.038 0.000 0.659 250 G HN 0.248 nan 8.290 nan 0.000 0.522 251 N N -0.488 118.184 118.700 -0.047 0.000 2.476 251 N HA 0.627 5.367 4.740 0.000 0.000 0.275 251 N C -0.127 175.146 175.510 -0.395 0.000 1.190 251 N CA -0.125 52.779 53.050 -0.245 0.000 0.977 251 N CB 1.944 40.321 38.487 -0.183 0.000 1.200 251 N HN 0.130 nan 8.380 nan 0.000 0.515 252 V N 1.764 121.218 119.914 -0.766 0.000 2.487 252 V HA 0.400 4.520 4.120 0.000 0.000 0.298 252 V C -1.028 174.792 176.094 -0.457 0.000 1.028 252 V CA -0.659 61.238 62.300 -0.671 0.000 0.860 252 V CB 0.607 31.674 31.823 -1.261 0.000 0.991 252 V HN 0.504 nan 8.190 nan 0.000 0.427 253 Y N 1.846 122.210 120.300 0.107 0.000 2.549 253 Y HA 0.747 5.297 4.550 0.000 0.000 0.339 253 Y C 0.608 176.740 175.900 0.387 0.000 1.053 253 Y CA -0.516 57.728 58.100 0.241 0.000 1.105 253 Y CB 2.465 41.041 38.460 0.193 0.000 1.258 253 Y HN 0.714 nan 8.280 nan 0.000 0.478 254 S N 0.461 116.475 115.700 0.523 0.000 2.595 254 S HA 0.919 5.389 4.470 0.000 0.000 0.281 254 S C -1.309 173.480 174.600 0.315 0.000 1.117 254 S CA -0.975 57.452 58.200 0.378 0.000 0.873 254 S CB 1.903 65.285 63.200 0.304 0.000 1.108 254 S HN 0.916 nan 8.310 nan 0.000 0.477 255 A N 1.435 124.404 122.820 0.249 0.000 2.466 255 A HA 0.574 4.894 4.320 0.000 0.000 0.291 255 A C -0.925 176.736 177.584 0.128 0.000 1.234 255 A CA -0.526 51.665 52.037 0.258 0.000 0.752 255 A CB 0.480 19.728 19.000 0.414 0.000 1.153 255 A HN 0.795 nan 8.150 nan 0.000 0.458 256 D N 2.811 123.239 120.400 0.047 0.000 2.316 256 D HA 0.342 4.982 4.640 0.000 0.000 0.245 256 D C -0.150 176.146 176.300 -0.006 0.000 1.171 256 D CA -0.209 53.728 54.000 -0.105 0.000 0.856 256 D CB 0.358 41.121 40.800 -0.061 0.000 1.090 256 D HN 0.424 nan 8.370 nan 0.000 0.476 257 F N 1.542 121.508 119.950 0.026 0.000 2.772 257 F HA 0.214 4.741 4.527 0.000 0.000 0.302 257 F C 1.708 177.516 175.800 0.014 0.000 1.136 257 F CA -0.597 57.416 58.000 0.023 0.000 1.322 257 F CB -0.539 38.477 39.000 0.026 0.000 0.967 257 F HN 0.193 nan 8.300 nan 0.000 0.513 258 S N -0.267 115.395 115.700 -0.063 0.000 2.402 258 S HA 0.135 4.605 4.470 0.000 0.000 0.229 258 S C 1.400 176.026 174.600 0.043 0.000 1.021 258 S CA 0.575 58.759 58.200 -0.026 0.000 0.974 258 S CB -0.934 62.219 63.200 -0.078 0.000 0.800 258 S HN 0.507 nan 8.310 nan 0.000 0.484 259 G N 0.486 109.315 108.800 0.048 0.000 2.509 259 G HA2 0.342 4.302 3.960 0.000 0.000 0.269 259 G HA3 0.342 4.302 3.960 0.000 0.000 0.269 259 G C -0.028 174.913 174.900 0.068 0.000 1.416 259 G CA -0.066 45.063 45.100 0.049 0.000 1.052 259 G HN 0.209 nan 8.290 nan 0.000 0.542 260 D N -0.482 119.946 120.400 0.047 0.000 2.240 260 D HA 0.033 4.673 4.640 0.000 0.000 0.206 260 D C 0.314 176.637 176.300 0.039 0.000 0.963 260 D CA 0.896 54.920 54.000 0.039 0.000 0.863 260 D CB 0.583 41.396 40.800 0.021 0.000 0.973 260 D HN 0.405 nan 8.370 nan 0.000 0.501 261 E N 1.189 121.415 120.200 0.043 0.000 2.186 261 E HA 0.256 4.606 4.350 0.000 0.000 0.255 261 E C -0.625 176.014 176.600 0.065 0.000 0.881 261 E CA -0.456 55.970 56.400 0.042 0.000 0.752 261 E CB 2.853 32.569 29.700 0.027 0.000 1.176 261 E HN -0.219 nan 8.360 nan 0.000 0.421 262 V N 4.541 124.508 119.914 0.088 0.000 2.800 262 V HA -0.199 3.921 4.120 0.000 0.000 0.299 262 V C 0.399 176.553 176.094 0.099 0.000 1.151 262 V CA 0.976 63.351 62.300 0.125 0.000 1.297 262 V CB -0.441 31.463 31.823 0.134 0.000 0.835 262 V HN 0.490 nan 8.190 nan 0.000 0.484 263 K N 4.980 125.440 120.400 0.101 0.000 2.240 263 K HA 0.524 4.844 4.320 0.000 0.000 0.271 263 K C -0.384 176.284 176.600 0.113 0.000 1.018 263 K CA -0.429 55.910 56.287 0.087 0.000 0.874 263 K CB 1.762 34.302 32.500 0.066 0.000 1.098 263 K HN 0.617 nan 8.250 nan 0.000 0.458 264 V N -0.745 119.241 119.914 0.120 0.000 2.547 264 V HA 0.641 4.761 4.120 0.000 0.000 0.299 264 V C -0.385 175.817 176.094 0.181 0.000 1.040 264 V CA -0.610 61.787 62.300 0.162 0.000 0.913 264 V CB 1.909 33.820 31.823 0.148 0.000 0.992 264 V HN 0.635 nan 8.190 nan 0.000 0.449 265 D N 0.884 121.431 120.400 0.246 0.000 2.599 265 D HA 0.820 5.460 4.640 0.000 0.000 0.252 265 D C -0.175 176.340 176.300 0.358 0.000 1.232 265 D CA 0.931 55.085 54.000 0.256 0.000 0.819 265 D CB 2.314 43.229 40.800 0.192 0.000 1.401 265 D HN 1.427 nan 8.370 nan 0.000 0.429 266 G N 0.755 109.732 108.800 0.294 0.000 2.361 266 G HA2 0.243 4.203 3.960 0.000 0.000 0.331 266 G HA3 0.243 4.203 3.960 0.000 0.000 0.331 266 G C -3.076 171.895 174.900 0.119 0.000 1.324 266 G CA -0.711 44.477 45.100 0.147 0.000 0.984 266 G HN 0.420 nan 8.290 nan 0.000 0.586 267 P HA 0.712 nan 4.420 nan 0.000 0.287 267 P C -1.030 176.237 177.300 -0.054 0.000 1.292 267 P CA -0.700 62.102 63.100 -0.497 0.000 0.879 267 P CB 1.426 32.642 31.700 -0.806 0.000 1.214 268 W N -0.550 120.641 121.300 -0.181 0.000 2.998 268 W HA 0.515 5.175 4.660 0.000 0.000 0.335 268 W C -1.287 175.198 176.519 -0.057 0.000 1.110 268 W CA -1.077 56.221 57.345 -0.078 0.000 1.230 268 W CB 0.963 30.392 29.460 -0.051 0.000 1.405 268 W HN 0.298 nan 8.180 nan 0.000 0.493 269 S N 1.858 117.637 115.700 0.132 0.000 2.584 269 S HA 0.354 4.824 4.470 0.000 0.000 0.273 269 S C 0.679 175.297 174.600 0.030 0.000 1.311 269 S CA -0.511 57.684 58.200 -0.009 0.000 1.034 269 S CB 0.885 64.132 63.200 0.078 0.000 0.939 269 S HN 0.551 nan 8.310 nan 0.000 0.513 270 L N 3.801 124.975 121.223 -0.081 0.000 2.591 270 L HA 0.294 4.634 4.340 0.000 0.000 0.228 270 L C -0.317 176.716 176.870 0.270 0.000 1.133 270 L CA 0.190 55.070 54.840 0.067 0.000 0.880 270 L CB -0.245 41.819 42.059 0.009 0.000 1.033 270 L HN 0.436 nan 8.230 nan 0.000 0.450 271 L N 0.288 121.635 121.223 0.206 0.000 2.334 271 L HA 0.385 4.725 4.340 0.000 0.000 0.276 271 L C -0.497 176.456 176.870 0.138 0.000 1.014 271 L CA -0.850 54.126 54.840 0.227 0.000 0.815 271 L CB 1.489 43.681 42.059 0.222 0.000 1.268 271 L HN 0.111 nan 8.230 nan 0.000 0.428 272 N N -0.634 118.119 118.700 0.088 0.000 2.483 272 N HA 0.216 4.956 4.740 0.000 0.000 0.285 272 N C 0.143 175.692 175.510 0.065 0.000 1.210 272 N CA -0.785 52.293 53.050 0.047 0.000 0.931 272 N CB 0.597 39.075 38.487 -0.015 0.000 1.220 272 N HN 0.389 nan 8.380 nan 0.000 0.542 273 D N -0.058 120.371 120.400 0.049 0.000 2.170 273 D HA -0.238 4.402 4.640 0.000 0.000 0.193 273 D C 1.165 177.509 176.300 0.073 0.000 1.004 273 D CA 1.728 55.761 54.000 0.055 0.000 0.860 273 D CB -0.090 40.731 40.800 0.036 0.000 0.931 273 D HN 0.778 nan 8.370 nan 0.000 0.448 274 E N 0.055 120.293 120.200 0.064 0.000 2.051 274 E HA -0.139 4.211 4.350 0.000 0.000 0.192 274 E C 1.602 178.307 176.600 0.175 0.000 0.991 274 E CA 1.223 57.676 56.400 0.090 0.000 0.799 274 E CB 0.111 29.840 29.700 0.048 0.000 0.748 274 E HN 0.196 nan 8.360 nan 0.000 0.449 275 D N 0.320 120.829 120.400 0.183 0.000 2.123 275 D HA -0.168 4.472 4.640 0.000 0.000 0.196 275 D C 1.711 178.250 176.300 0.398 0.000 0.992 275 D CA 1.131 55.359 54.000 0.380 0.000 0.833 275 D CB -0.159 40.839 40.800 0.330 0.000 0.954 275 D HN 0.160 nan 8.370 nan 0.000 0.455 276 K N 0.734 121.277 120.400 0.238 0.000 2.103 276 K HA -0.067 4.253 4.320 0.000 0.000 0.207 276 K C 2.181 178.869 176.600 0.146 0.000 1.048 276 K CA 1.169 57.561 56.287 0.175 0.000 0.930 276 K CB -0.107 32.463 32.500 0.116 0.000 0.716 276 K HN 0.044 nan 8.250 nan 0.000 0.444 277 A N 2.025 124.929 122.820 0.141 0.000 1.877 277 A HA -0.170 4.150 4.320 0.000 0.000 0.216 277 A C 1.774 179.420 177.584 0.103 0.000 1.186 277 A CA 1.450 53.551 52.037 0.105 0.000 0.620 277 A CB -0.212 18.846 19.000 0.096 0.000 0.822 277 A HN 0.118 nan 8.150 nan 0.000 0.443 278 K N -0.349 120.150 120.400 0.164 0.000 2.525 278 K HA -0.015 4.305 4.320 0.000 0.000 0.192 278 K C -0.317 176.252 176.600 -0.053 0.000 1.029 278 K CA 0.327 56.659 56.287 0.076 0.000 1.029 278 K CB -0.165 32.446 32.500 0.186 0.000 0.814 278 K HN 0.506 nan 8.250 nan 0.000 0.503 279 N N 0.328 119.065 118.700 0.061 0.000 2.756 279 N HA -0.156 4.584 4.740 0.000 0.000 0.248 279 N C -1.225 174.270 175.510 -0.025 0.000 1.062 279 N CA 0.688 53.753 53.050 0.025 0.000 0.696 279 N CB -1.506 36.965 38.487 -0.027 0.000 0.946 279 N HN 0.232 nan 8.380 nan 0.000 0.548 280 W N 0.355 121.672 121.300 0.028 0.000 2.216 280 W HA 0.406 5.066 4.660 0.000 0.000 0.326 280 W C 1.039 177.439 176.519 -0.197 0.000 1.319 280 W CA -0.268 57.029 57.345 -0.081 0.000 1.213 280 W CB 0.786 30.289 29.460 0.073 0.000 1.171 280 W HN 0.056 nan 8.180 nan 0.000 0.557 281 V N 1.778 121.585 119.914 -0.178 0.000 2.971 281 V HA 0.631 4.751 4.120 0.000 0.000 0.309 281 V C -2.779 173.109 176.094 -0.344 0.000 1.130 281 V CA -3.487 58.687 62.300 -0.210 0.000 0.964 281 V CB 1.763 33.498 31.823 -0.146 0.000 1.029 281 V HN 0.244 nan 8.190 nan 0.000 0.427 282 P HA 0.559 nan 4.420 nan 0.000 0.271 282 P C -0.006 177.305 177.300 0.018 0.000 1.244 282 P CA 0.463 63.462 63.100 -0.169 0.000 0.793 282 P CB 0.712 32.287 31.700 -0.208 0.000 0.984 283 G N -1.053 107.749 108.800 0.004 0.000 2.733 283 G HA2 0.599 4.559 3.960 0.000 0.000 0.297 283 G HA3 0.599 4.559 3.960 0.000 0.000 0.297 283 G C -0.878 174.026 174.900 0.006 0.000 1.452 283 G CA 0.001 45.183 45.100 0.136 0.000 0.940 283 G HN 0.800 nan 8.290 nan 0.000 0.547 284 G N -0.190 108.579 108.800 -0.052 0.000 2.302 284 G HA2 0.349 4.309 3.960 0.000 0.000 0.276 284 G HA3 0.349 4.309 3.960 0.000 0.000 0.276 284 G C -0.471 174.344 174.900 -0.143 0.000 1.316 284 G CA 0.163 45.252 45.100 -0.019 0.000 0.988 284 G HN 0.788 nan 8.290 nan 0.000 0.479 285 Y N 0.101 120.486 120.300 0.142 0.000 3.052 285 Y HA 0.388 4.938 4.550 0.000 0.000 0.176 285 Y C 1.638 177.685 175.900 0.245 0.000 0.916 285 Y CA 0.340 58.543 58.100 0.170 0.000 1.720 285 Y CB 0.193 38.562 38.460 -0.151 0.000 1.299 285 Y HN 0.321 nan 8.280 nan 0.000 0.428 286 N N 3.047 121.944 118.700 0.327 0.000 3.124 286 N HA 0.118 4.858 4.740 0.000 0.000 0.284 286 N C 0.877 176.507 175.510 0.200 0.000 1.209 286 N CA 0.150 53.352 53.050 0.254 0.000 1.149 286 N CB 0.195 38.789 38.487 0.180 0.000 1.434 286 N HN 0.499 nan 8.380 nan 0.000 0.529 287 L N -0.814 120.489 121.223 0.135 0.000 2.554 287 L HA 0.185 4.525 4.340 0.000 0.000 0.226 287 L C 0.474 177.173 176.870 -0.285 0.000 1.137 287 L CA 0.276 55.123 54.840 0.012 0.000 0.863 287 L CB 0.046 42.049 42.059 -0.094 0.000 0.985 287 L HN -0.036 nan 8.230 nan 0.000 0.451 288 V N -2.101 117.714 119.914 -0.166 0.000 3.046 288 V HA 1.033 5.153 4.120 0.000 0.000 0.316 288 V C -0.057 175.980 176.094 -0.095 0.000 1.104 288 V CA 0.115 62.318 62.300 -0.161 0.000 1.006 288 V CB 1.317 33.084 31.823 -0.092 0.000 1.058 288 V HN 0.129 nan 8.190 nan 0.000 0.440 289 G N 1.172 109.948 108.800 -0.039 0.000 2.704 289 G HA2 0.659 4.619 3.960 0.000 0.000 0.293 289 G HA3 0.659 4.619 3.960 0.000 0.000 0.293 289 G C -2.215 172.756 174.900 0.118 0.000 1.421 289 G CA -0.701 44.401 45.100 0.003 0.000 0.870 289 G HN 1.359 nan 8.290 nan 0.000 0.492 290 L N 1.012 122.296 121.223 0.103 0.000 2.406 290 L HA 0.503 4.843 4.340 0.000 0.000 0.272 290 L C -0.389 176.573 176.870 0.153 0.000 0.980 290 L CA -0.835 54.103 54.840 0.163 0.000 0.831 290 L CB 1.644 43.774 42.059 0.118 0.000 1.253 290 L HN 0.745 nan 8.230 nan 0.000 0.406 291 H N 5.337 124.507 119.070 0.166 0.000 2.923 291 H HA 0.235 4.791 4.556 0.000 0.000 0.251 291 H C 0.758 176.128 175.328 0.070 0.000 1.741 291 H CA 0.025 56.132 56.048 0.099 0.000 1.387 291 H CB 0.413 30.287 29.762 0.185 0.000 1.740 291 H HN 0.781 nan 8.280 nan 0.000 0.544 292 R N 2.073 122.467 120.500 -0.177 0.000 2.189 292 R HA -0.278 4.062 4.340 0.000 0.000 0.252 292 R C 2.287 178.460 176.300 -0.212 0.000 1.134 292 R CA 2.071 58.082 56.100 -0.148 0.000 0.954 292 R CB -0.432 29.796 30.300 -0.120 0.000 0.890 292 R HN 0.571 nan 8.270 nan 0.000 0.443 293 A N 0.698 123.253 122.820 -0.442 0.000 1.958 293 A HA -0.249 4.071 4.320 0.000 0.000 0.221 293 A C 2.222 179.768 177.584 -0.064 0.000 1.178 293 A CA 2.389 54.259 52.037 -0.279 0.000 0.642 293 A CB -0.469 18.336 19.000 -0.325 0.000 0.816 293 A HN 0.559 nan 8.150 nan 0.000 0.453 294 S N -3.630 112.111 115.700 0.069 0.000 2.506 294 S HA 0.426 4.896 4.470 0.000 0.000 0.219 294 S C 1.406 176.074 174.600 0.114 0.000 1.031 294 S CA 1.123 59.446 58.200 0.205 0.000 0.911 294 S CB 0.198 63.621 63.200 0.372 0.000 0.812 294 S HN 2.017 nan 8.310 nan 0.000 0.497 295 G N 1.573 110.433 108.800 0.101 0.000 2.141 295 G HA2 -0.216 3.744 3.960 0.000 0.000 0.242 295 G HA3 -0.216 3.744 3.960 0.000 0.000 0.242 295 G C -0.042 174.886 174.900 0.048 0.000 0.982 295 G CA -0.249 44.882 45.100 0.051 0.000 0.662 295 G HN 0.538 nan 8.290 nan 0.000 0.527 296 R N -0.031 120.545 120.500 0.126 0.000 2.265 296 R HA 0.554 4.894 4.340 0.000 0.000 0.314 296 R C 0.458 176.792 176.300 0.057 0.000 1.053 296 R CA -0.284 55.834 56.100 0.029 0.000 0.931 296 R CB 0.971 31.277 30.300 0.010 0.000 1.024 296 R HN 0.429 nan 8.270 nan 0.000 0.457 297 M N 3.240 122.780 119.600 -0.099 0.000 2.363 297 M HA 0.341 4.821 4.480 0.000 0.000 0.343 297 M C -1.541 174.616 176.300 -0.238 0.000 1.165 297 M CA -0.579 54.709 55.300 -0.020 0.000 1.046 297 M CB 1.028 33.611 32.600 -0.028 0.000 1.648 297 M HN 0.420 nan 8.290 nan 0.000 0.452 298 Y N 2.890 123.140 120.300 -0.084 0.000 2.393 298 Y HA 0.687 5.237 4.550 0.000 0.000 0.341 298 Y C -0.645 175.113 175.900 -0.238 0.000 0.988 298 Y CA -0.871 57.141 58.100 -0.147 0.000 1.078 298 Y CB 1.868 40.212 38.460 -0.192 0.000 1.203 298 Y HN 0.394 nan 8.280 nan 0.000 0.453 299 V N 3.914 123.741 119.914 -0.145 0.000 2.733 299 V HA 0.341 4.461 4.120 0.000 0.000 0.306 299 V C -0.774 175.184 176.094 -0.227 0.000 1.084 299 V CA -1.471 60.680 62.300 -0.249 0.000 0.905 299 V CB 1.849 33.550 31.823 -0.205 0.000 1.010 299 V HN 0.601 nan 8.190 nan 0.000 0.424 300 F N 5.156 125.025 119.950 -0.136 0.000 2.456 300 F HA 0.504 5.031 4.527 0.000 0.000 0.358 300 F C 0.551 176.241 175.800 -0.185 0.000 1.095 300 F CA 0.048 57.980 58.000 -0.113 0.000 1.216 300 F CB 0.845 39.805 39.000 -0.066 0.000 1.125 300 F HN 0.238 nan 8.300 nan 0.000 0.549 301 M N 4.106 123.721 119.600 0.026 0.000 2.658 301 M HA 0.404 4.884 4.480 0.000 0.000 0.295 301 M C -0.632 175.858 176.300 0.316 0.000 1.248 301 M CA -0.646 54.595 55.300 -0.098 0.000 0.843 301 M CB 2.521 34.616 32.600 -0.840 0.000 1.749 301 M HN 0.624 nan 8.290 nan 0.000 0.464 302 H N -0.662 118.560 119.070 0.255 0.000 3.046 302 H HA 0.635 5.191 4.556 0.000 0.000 0.363 302 H C -3.356 171.777 175.328 -0.325 0.000 1.203 302 H CA -1.617 54.477 56.048 0.076 0.000 1.169 302 H CB 1.901 31.710 29.762 0.078 0.000 1.851 302 H HN 0.288 nan 8.280 nan 0.000 0.546 303 P HA 0.117 nan 4.420 nan 0.000 0.281 303 P C -0.583 176.493 177.300 -0.373 0.000 1.281 303 P CA -0.157 62.315 63.100 -1.047 0.000 0.811 303 P CB 1.001 31.892 31.700 -1.347 0.000 1.154 304 D N -2.283 117.936 120.400 -0.301 0.000 2.723 304 D HA -0.124 4.516 4.640 0.000 0.000 0.236 304 D C 0.790 177.051 176.300 -0.066 0.000 1.138 304 D CA 1.266 55.192 54.000 -0.122 0.000 0.676 304 D CB -1.926 38.836 40.800 -0.063 0.000 1.069 304 D HN 0.637 nan 8.370 nan 0.000 0.430 305 G N 0.201 108.937 108.800 -0.107 0.000 2.606 305 G HA2 0.466 4.426 3.960 0.000 0.000 0.252 305 G HA3 0.466 4.426 3.960 0.000 0.000 0.252 305 G C 0.409 175.293 174.900 -0.026 0.000 1.206 305 G CA 0.217 45.271 45.100 -0.076 0.000 0.861 305 G HN 0.417 nan 8.290 nan 0.000 0.561 306 K N -0.708 119.680 120.400 -0.020 0.000 2.809 306 K HA 0.283 4.603 4.320 0.000 0.000 0.293 306 K C -1.127 175.491 176.600 0.030 0.000 1.061 306 K CA -1.033 55.270 56.287 0.026 0.000 0.837 306 K CB 0.659 33.162 32.500 0.006 0.000 1.524 306 K HN 0.404 nan 8.250 nan 0.000 0.370 307 E N 0.458 120.705 120.200 0.078 0.000 2.729 307 E HA 0.182 4.532 4.350 0.000 0.000 0.246 307 E C 0.798 177.431 176.600 0.055 0.000 0.984 307 E CA 2.408 58.865 56.400 0.096 0.000 0.951 307 E CB -0.507 29.249 29.700 0.093 0.000 0.914 307 E HN 0.896 nan 8.360 nan 0.000 0.509 308 G N 3.053 111.915 108.800 0.102 0.000 2.138 308 G HA2 -0.243 3.717 3.960 0.000 0.000 0.193 308 G HA3 -0.243 3.717 3.960 0.000 0.000 0.193 308 G C 0.591 175.350 174.900 -0.235 0.000 0.998 308 G CA 0.431 45.549 45.100 0.030 0.000 0.668 308 G HN 0.923 nan 8.290 nan 0.000 0.516 309 T N -2.237 112.105 114.554 -0.353 0.000 3.132 309 T HA 0.249 4.599 4.350 0.000 0.000 0.274 309 T C 1.639 176.061 174.700 -0.464 0.000 1.011 309 T CA 0.790 62.312 62.100 -0.963 0.000 0.899 309 T CB -0.417 67.727 68.868 -1.207 0.000 1.089 309 T HN 0.717 nan 8.240 nan 0.000 0.543 310 H N 1.213 120.104 119.070 -0.297 0.000 2.567 310 H HA 0.246 4.802 4.556 0.000 0.000 0.276 310 H C 0.986 176.283 175.328 -0.051 0.000 1.016 310 H CA 0.405 56.334 56.048 -0.198 0.000 1.186 310 H CB -0.080 29.210 29.762 -0.787 0.000 1.351 310 H HN 0.409 nan 8.280 nan 0.000 0.605 311 K N -0.152 120.062 120.400 -0.310 0.000 2.402 311 K HA 0.132 4.452 4.320 0.000 0.000 0.204 311 K C -0.440 176.134 176.600 -0.044 0.000 1.056 311 K CA -0.553 55.567 56.287 -0.278 0.000 1.069 311 K CB 0.619 32.880 32.500 -0.400 0.000 0.888 311 K HN -0.072 nan 8.250 nan 0.000 0.546 312 F N 2.786 122.525 119.950 -0.351 0.000 2.629 312 F HA 0.022 4.549 4.527 0.000 0.000 0.369 312 F C -1.776 173.838 175.800 -0.311 0.000 1.125 312 F CA -2.043 55.711 58.000 -0.411 0.000 1.330 312 F CB -0.169 38.334 39.000 -0.828 0.000 1.071 312 F HN -0.091 nan 8.300 nan 0.000 0.595 313 P HA 0.124 nan 4.420 nan 0.000 0.269 313 P C -1.196 176.040 177.300 -0.106 0.000 1.217 313 P CA -0.221 62.780 63.100 -0.165 0.000 0.783 313 P CB 0.472 32.058 31.700 -0.191 0.000 0.898 314 A N 2.051 124.769 122.820 -0.170 0.000 2.404 314 A HA 0.436 4.756 4.320 0.000 0.000 0.273 314 A C 1.382 179.013 177.584 0.078 0.000 1.144 314 A CA 0.307 52.328 52.037 -0.028 0.000 0.806 314 A CB -0.338 18.551 19.000 -0.185 0.000 1.080 314 A HN 0.571 nan 8.150 nan 0.000 0.509 315 A N 2.815 125.769 122.820 0.223 0.000 1.929 315 A HA 0.194 4.514 4.320 0.000 0.000 0.216 315 A C 0.805 178.580 177.584 0.317 0.000 1.176 315 A CA 1.288 53.483 52.037 0.263 0.000 0.628 315 A CB -0.071 19.133 19.000 0.339 0.000 0.816 315 A HN 0.838 nan 8.150 nan 0.000 0.444 316 E N -2.118 118.300 120.200 0.363 0.000 2.458 316 E HA 0.621 4.971 4.350 0.000 0.000 0.278 316 E C -1.674 175.094 176.600 0.280 0.000 1.004 316 E CA -0.781 55.811 56.400 0.321 0.000 0.823 316 E CB 1.531 31.462 29.700 0.385 0.000 1.396 316 E HN 0.156 nan 8.360 nan 0.000 0.463 317 I N 1.523 122.260 120.570 0.279 0.000 2.411 317 I HA 0.309 4.479 4.170 0.000 0.000 0.284 317 I C -1.001 175.283 176.117 0.278 0.000 1.012 317 I CA -0.702 60.736 61.300 0.230 0.000 1.119 317 I CB 0.687 38.779 38.000 0.153 0.000 1.261 317 I HN 0.279 nan 8.210 nan 0.000 0.448 318 W N 5.628 126.866 121.300 -0.104 0.000 2.283 318 W HA 0.515 5.175 4.660 0.000 0.000 0.341 318 W C -0.268 176.102 176.519 -0.248 0.000 1.206 318 W CA -0.895 56.341 57.345 -0.182 0.000 1.294 318 W CB 0.829 30.167 29.460 -0.204 0.000 1.154 318 W HN -0.009 nan 8.180 nan 0.000 0.613 319 V N 5.136 125.000 119.914 -0.084 0.000 2.357 319 V HA 0.273 4.393 4.120 0.000 0.000 0.281 319 V C -0.066 175.887 176.094 -0.235 0.000 1.015 319 V CA -0.952 61.136 62.300 -0.353 0.000 0.827 319 V CB 0.557 32.136 31.823 -0.406 0.000 1.018 319 V HN 0.331 nan 8.190 nan 0.000 0.432 320 M N 2.877 122.364 119.600 -0.189 0.000 2.367 320 M HA 0.459 4.939 4.480 0.000 0.000 0.339 320 M C -0.138 176.108 176.300 -0.090 0.000 1.177 320 M CA -0.434 54.830 55.300 -0.061 0.000 1.068 320 M CB 1.322 33.980 32.600 0.098 0.000 1.602 320 M HN 0.519 nan 8.290 nan 0.000 0.457 321 D N 2.388 122.745 120.400 -0.071 0.000 2.456 321 D HA 0.106 4.746 4.640 0.000 0.000 0.219 321 D C 1.080 177.314 176.300 -0.110 0.000 1.126 321 D CA 0.016 53.963 54.000 -0.089 0.000 0.890 321 D CB 0.941 41.684 40.800 -0.095 0.000 1.025 321 D HN 0.783 nan 8.370 nan 0.000 0.511 322 T N 1.624 116.117 114.554 -0.101 0.000 2.760 322 T HA -0.260 4.090 4.350 0.000 0.000 0.269 322 T C 1.580 176.137 174.700 -0.238 0.000 1.047 322 T CA 1.177 63.178 62.100 -0.165 0.000 1.139 322 T CB 0.033 68.762 68.868 -0.230 0.000 0.855 322 T HN 0.323 nan 8.240 nan 0.000 0.471 323 K N 1.090 121.390 120.400 -0.167 0.000 1.984 323 K HA -0.042 4.278 4.320 0.000 0.000 0.209 323 K C 2.920 179.390 176.600 -0.218 0.000 1.046 323 K CA 1.868 58.058 56.287 -0.160 0.000 0.934 323 K CB -0.580 31.860 32.500 -0.100 0.000 0.717 323 K HN 0.636 nan 8.250 nan 0.000 0.438 324 T N -1.220 113.215 114.554 -0.198 0.000 3.055 324 T HA 0.045 4.395 4.350 0.000 0.000 0.265 324 T C 0.441 174.958 174.700 -0.305 0.000 1.111 324 T CA 0.362 62.339 62.100 -0.206 0.000 1.118 324 T CB -0.182 68.602 68.868 -0.141 0.000 0.909 324 T HN 0.181 nan 8.240 nan 0.000 0.501 325 K N 0.521 120.666 120.400 -0.424 0.000 3.192 325 K HA -0.115 4.205 4.320 0.000 0.000 0.278 325 K C -0.680 175.793 176.600 -0.212 0.000 1.164 325 K CA 0.387 56.251 56.287 -0.705 0.000 0.816 325 K CB -1.011 30.829 32.500 -1.100 0.000 1.256 325 K HN 0.461 nan 8.250 nan 0.000 0.497 326 Q N 0.498 120.233 119.800 -0.108 0.000 2.394 326 Q HA 0.323 4.664 4.340 0.000 0.000 0.273 326 Q C -0.471 175.502 176.000 -0.045 0.000 1.089 326 Q CA -0.774 55.000 55.803 -0.049 0.000 0.812 326 Q CB 2.062 30.749 28.738 -0.085 0.000 1.353 326 Q HN 0.247 nan 8.270 nan 0.000 0.438 327 R N 0.937 121.393 120.500 -0.073 0.000 2.438 327 R HA 0.238 4.578 4.340 0.000 0.000 0.287 327 R C 0.574 176.773 176.300 -0.167 0.000 1.077 327 R CA 0.122 56.138 56.100 -0.141 0.000 1.034 327 R CB 0.428 30.552 30.300 -0.293 0.000 0.993 327 R HN 0.500 nan 8.270 nan 0.000 0.459 328 V N 0.613 120.429 119.914 -0.163 0.000 3.380 328 V HA 0.599 4.719 4.120 0.000 0.000 0.307 328 V C -0.080 175.923 176.094 -0.151 0.000 1.434 328 V CA 0.376 62.589 62.300 -0.145 0.000 1.075 328 V CB -0.068 31.684 31.823 -0.119 0.000 0.954 328 V HN 0.770 nan 8.190 nan 0.000 0.444 329 A N 1.295 124.001 122.820 -0.190 0.000 2.571 329 A HA 0.807 5.127 4.320 0.000 0.000 0.296 329 A C -0.861 176.599 177.584 -0.206 0.000 1.005 329 A CA -0.631 51.306 52.037 -0.166 0.000 0.682 329 A CB 1.180 20.117 19.000 -0.106 0.000 1.292 329 A HN 0.799 nan 8.150 nan 0.000 0.420 330 R N 0.926 121.325 120.500 -0.169 0.000 2.510 330 R HA 0.764 5.104 4.340 0.000 0.000 0.287 330 R C -1.048 175.247 176.300 -0.008 0.000 1.084 330 R CA -0.484 55.534 56.100 -0.138 0.000 0.934 330 R CB 1.013 31.075 30.300 -0.397 0.000 1.201 330 R HN 1.417 nan 8.270 nan 0.000 0.431 331 I N -1.655 118.966 120.570 0.086 0.000 3.042 331 I HA 0.660 4.830 4.170 0.000 0.000 0.310 331 I C -2.766 173.449 176.117 0.164 0.000 1.117 331 I CA -3.411 57.956 61.300 0.111 0.000 1.003 331 I CB 2.698 40.766 38.000 0.113 0.000 1.228 331 I HN 0.313 nan 8.210 nan 0.000 0.443 332 P HA 0.119 nan 4.420 nan 0.000 0.263 332 P C 0.711 178.128 177.300 0.196 0.000 1.195 332 P CA 0.187 63.396 63.100 0.182 0.000 0.762 332 P CB 0.877 32.670 31.700 0.154 0.000 0.799 333 G N 3.779 112.691 108.800 0.187 0.000 2.598 333 G HA2 -0.177 3.783 3.960 0.000 0.000 0.215 333 G HA3 -0.177 3.783 3.960 0.000 0.000 0.215 333 G C 0.574 175.529 174.900 0.091 0.000 1.131 333 G CA -0.191 45.004 45.100 0.158 0.000 0.785 333 G HN 0.538 nan 8.290 nan 0.000 0.539 334 R N -0.159 120.397 120.500 0.093 0.000 3.627 334 R HA -0.163 4.177 4.340 0.000 0.000 0.281 334 R C -0.013 176.274 176.300 -0.021 0.000 1.140 334 R CA 0.642 56.775 56.100 0.055 0.000 0.761 334 R CB -1.968 28.392 30.300 0.101 0.000 1.181 334 R HN 0.409 nan 8.270 nan 0.000 0.472 335 D N -2.900 117.466 120.400 -0.056 0.000 2.945 335 D HA -0.195 4.445 4.640 0.000 0.000 0.225 335 D C 0.252 176.416 176.300 -0.227 0.000 1.158 335 D CA 1.511 55.436 54.000 -0.125 0.000 0.805 335 D CB -1.018 39.721 40.800 -0.101 0.000 1.098 335 D HN 0.658 nan 8.370 nan 0.000 0.426 336 A N -0.176 122.431 122.820 -0.356 0.000 2.445 336 A HA 0.464 4.784 4.320 0.000 0.000 0.242 336 A C 1.354 178.393 177.584 -0.909 0.000 1.075 336 A CA 0.089 51.764 52.037 -0.603 0.000 0.777 336 A CB 0.500 19.073 19.000 -0.712 0.000 1.013 336 A HN 0.282 nan 8.150 nan 0.000 0.493 337 L N 0.521 121.415 121.223 -0.549 0.000 2.803 337 L HA 0.212 4.552 4.340 0.000 0.000 0.246 337 L C 0.404 177.359 176.870 0.141 0.000 1.100 337 L CA 0.349 55.061 54.840 -0.213 0.000 0.919 337 L CB 0.491 42.547 42.059 -0.004 0.000 1.285 337 L HN 0.621 nan 8.230 nan 0.000 0.522 338 S N 0.112 115.948 115.700 0.227 0.000 2.618 338 S HA 0.834 5.304 4.470 0.000 0.000 0.277 338 S C -0.708 174.163 174.600 0.452 0.000 1.138 338 S CA -0.637 57.794 58.200 0.385 0.000 0.844 338 S CB 2.659 65.944 63.200 0.142 0.000 1.127 338 S HN 0.180 nan 8.310 nan 0.000 0.474 339 M N -0.321 119.439 119.600 0.265 0.000 2.924 339 M HA 0.857 5.337 4.480 0.000 0.000 0.271 339 M C -1.290 175.057 176.300 0.078 0.000 1.280 339 M CA -0.584 54.805 55.300 0.149 0.000 0.813 339 M CB 1.945 34.538 32.600 -0.013 0.000 1.658 339 M HN 0.529 nan 8.290 nan 0.000 0.467 340 T N 0.770 115.365 114.554 0.068 0.000 3.225 340 T HA 0.592 4.942 4.350 0.000 0.000 0.356 340 T C -1.990 172.782 174.700 0.120 0.000 1.460 340 T CA -0.649 61.511 62.100 0.099 0.000 1.126 340 T CB 1.323 70.281 68.868 0.151 0.000 1.321 340 T HN 0.619 nan 8.240 nan 0.000 0.478 341 I N 3.418 124.017 120.570 0.050 0.000 2.607 341 I HA 0.512 4.682 4.170 0.000 0.000 0.305 341 I C 0.084 176.128 176.117 -0.122 0.000 0.995 341 I CA -0.794 60.479 61.300 -0.045 0.000 1.148 341 I CB 1.760 39.700 38.000 -0.101 0.000 1.323 341 I HN 0.695 nan 8.210 nan 0.000 0.461 342 D N 4.677 124.873 120.400 -0.340 0.000 2.453 342 D HA 0.171 4.811 4.640 0.000 0.000 0.238 342 D C 0.691 176.821 176.300 -0.283 0.000 1.088 342 D CA -0.370 53.297 54.000 -0.556 0.000 0.854 342 D CB 1.524 41.536 40.800 -1.313 0.000 1.076 342 D HN 0.323 nan 8.370 nan 0.000 0.533 343 Q N 2.172 121.865 119.800 -0.179 0.000 2.002 343 Q HA -0.208 4.132 4.340 0.000 0.000 0.204 343 Q C 1.611 177.556 176.000 -0.091 0.000 0.988 343 Q CA 1.315 57.044 55.803 -0.123 0.000 0.843 343 Q CB -0.206 28.457 28.738 -0.125 0.000 0.908 343 Q HN 0.672 nan 8.270 nan 0.000 0.420 344 Q N 0.421 120.162 119.800 -0.099 0.000 2.077 344 Q HA -0.182 4.158 4.340 0.000 0.000 0.206 344 Q C 1.591 177.565 176.000 -0.044 0.000 0.989 344 Q CA 1.520 57.288 55.803 -0.058 0.000 0.853 344 Q CB 0.150 28.860 28.738 -0.046 0.000 0.907 344 Q HN 0.114 nan 8.270 nan 0.000 0.418 345 R N 0.534 120.977 120.500 -0.095 0.000 2.317 345 R HA 0.104 4.445 4.340 0.000 0.000 0.208 345 R C -0.235 176.037 176.300 -0.047 0.000 0.914 345 R CA 0.194 56.258 56.100 -0.060 0.000 1.060 345 R CB 0.158 30.413 30.300 -0.076 0.000 1.015 345 R HN 0.312 nan 8.270 nan 0.000 0.498 346 N N 0.598 119.273 118.700 -0.042 0.000 2.727 346 N HA -0.195 4.545 4.740 0.000 0.000 0.251 346 N C -1.135 174.335 175.510 -0.066 0.000 1.040 346 N CA 0.856 53.908 53.050 0.004 0.000 0.712 346 N CB -1.397 37.106 38.487 0.027 0.000 0.912 346 N HN 0.219 nan 8.380 nan 0.000 0.545 347 L N -0.141 120.995 121.223 -0.146 0.000 2.341 347 L HA 0.684 5.024 4.340 0.000 0.000 0.267 347 L C 0.293 177.113 176.870 -0.084 0.000 1.009 347 L CA -0.633 54.144 54.840 -0.105 0.000 0.819 347 L CB 2.276 44.246 42.059 -0.149 0.000 1.323 347 L HN 0.145 nan 8.230 nan 0.000 0.425 348 M N 3.551 123.167 119.600 0.027 0.000 2.165 348 M HA 0.509 4.989 4.480 0.000 0.000 0.283 348 M C -1.952 174.462 176.300 0.190 0.000 0.978 348 M CA -0.402 54.906 55.300 0.013 0.000 0.948 348 M CB 1.484 33.941 32.600 -0.238 0.000 1.599 348 M HN 0.490 nan 8.290 nan 0.000 0.450 349 L N 3.828 125.170 121.223 0.198 0.000 2.343 349 L HA 0.745 5.085 4.340 0.000 0.000 0.275 349 L C 0.298 177.280 176.870 0.187 0.000 1.056 349 L CA -0.568 54.369 54.840 0.161 0.000 0.804 349 L CB 1.897 43.950 42.059 -0.010 0.000 1.203 349 L HN 0.799 nan 8.230 nan 0.000 0.440 350 T N 0.148 114.846 114.554 0.241 0.000 2.896 350 T HA 0.742 5.092 4.350 0.000 0.000 0.297 350 T C -1.129 173.669 174.700 0.162 0.000 1.108 350 T CA -0.773 61.514 62.100 0.311 0.000 1.004 350 T CB 2.179 71.319 68.868 0.453 0.000 1.159 350 T HN 0.346 nan 8.240 nan 0.000 0.499 351 L N 1.690 122.976 121.223 0.104 0.000 2.455 351 L HA 0.683 5.023 4.340 0.000 0.000 0.264 351 L C -0.721 176.103 176.870 -0.078 0.000 0.968 351 L CA -0.407 54.432 54.840 -0.002 0.000 0.827 351 L CB 2.203 44.256 42.059 -0.010 0.000 1.317 351 L HN 0.911 nan 8.230 nan 0.000 0.407 352 D N 1.402 121.748 120.400 -0.090 0.000 2.431 352 D HA 0.424 5.064 4.640 0.000 0.000 0.213 352 D C 1.039 177.270 176.300 -0.115 0.000 1.130 352 D CA 0.558 54.486 54.000 -0.120 0.000 0.834 352 D CB 0.883 41.621 40.800 -0.103 0.000 0.985 352 D HN 0.931 nan 8.370 nan 0.000 0.504 353 G N -0.480 108.255 108.800 -0.108 0.000 2.436 353 G HA2 -0.161 3.799 3.960 0.000 0.000 0.204 353 G HA3 -0.161 3.799 3.960 0.000 0.000 0.204 353 G C 1.115 175.967 174.900 -0.080 0.000 1.026 353 G CA 0.029 45.060 45.100 -0.115 0.000 0.658 353 G HN 0.724 nan 8.290 nan 0.000 0.499 354 G N -0.079 108.679 108.800 -0.069 0.000 2.801 354 G HA2 0.369 4.329 3.960 0.000 0.000 0.213 354 G HA3 0.369 4.329 3.960 0.000 0.000 0.213 354 G C 0.125 174.986 174.900 -0.066 0.000 1.052 354 G CA 0.562 45.632 45.100 -0.050 0.000 0.868 354 G HN 0.483 nan 8.290 nan 0.000 0.589 355 N N 0.450 119.106 118.700 -0.074 0.000 2.269 355 N HA 0.535 5.275 4.740 0.000 0.000 0.304 355 N C -1.294 174.165 175.510 -0.085 0.000 1.072 355 N CA -0.277 52.721 53.050 -0.087 0.000 0.802 355 N CB 3.009 41.457 38.487 -0.066 0.000 1.348 355 N HN -0.159 nan 8.380 nan 0.000 0.484 356 V N 1.986 121.831 119.914 -0.114 0.000 2.435 356 V HA 0.371 4.491 4.120 0.000 0.000 0.290 356 V C -0.181 175.878 176.094 -0.059 0.000 1.030 356 V CA -0.851 61.395 62.300 -0.089 0.000 0.881 356 V CB 1.405 33.137 31.823 -0.152 0.000 0.983 356 V HN 0.553 nan 8.190 nan 0.000 0.445 357 N N 2.850 121.555 118.700 0.007 0.000 2.399 357 N HA 0.556 5.296 4.740 0.000 0.000 0.295 357 N C -0.945 174.563 175.510 -0.003 0.000 1.048 357 N CA -0.357 52.677 53.050 -0.026 0.000 0.886 357 N CB 2.480 41.009 38.487 0.069 0.000 1.185 357 N HN 0.376 nan 8.380 nan 0.000 0.487 358 V N 3.044 122.886 119.914 -0.119 0.000 2.384 358 V HA 0.386 4.506 4.120 0.000 0.000 0.287 358 V C -0.956 175.069 176.094 -0.116 0.000 1.020 358 V CA -0.579 61.715 62.300 -0.010 0.000 0.850 358 V CB 0.082 31.947 31.823 0.070 0.000 0.987 358 V HN 0.496 nan 8.190 nan 0.000 0.436 359 Y N 1.745 122.076 120.300 0.051 0.000 2.429 359 Y HA 0.507 5.057 4.550 0.000 0.000 0.342 359 Y C 0.041 175.951 175.900 0.016 0.000 1.004 359 Y CA -1.158 56.965 58.100 0.038 0.000 1.075 359 Y CB 1.679 40.158 38.460 0.031 0.000 1.214 359 Y HN 0.650 nan 8.280 nan 0.000 0.455 360 D N 3.625 124.132 120.400 0.179 0.000 2.396 360 D HA 0.217 4.857 4.640 0.000 0.000 0.225 360 D C 0.032 176.375 176.300 0.071 0.000 1.121 360 D CA -0.337 53.720 54.000 0.095 0.000 0.853 360 D CB 0.394 41.239 40.800 0.076 0.000 1.043 360 D HN 0.567 nan 8.370 nan 0.000 0.500 361 I N 1.125 121.693 120.570 -0.003 0.000 3.805 361 I HA 0.202 4.372 4.170 0.000 0.000 0.337 361 I C 0.905 176.930 176.117 -0.154 0.000 1.539 361 I CA -0.486 60.780 61.300 -0.056 0.000 1.176 361 I CB 0.144 38.049 38.000 -0.158 0.000 1.248 361 I HN 0.163 nan 8.210 nan 0.000 0.437 362 S N -0.646 115.002 115.700 -0.086 0.000 2.447 362 S HA 0.035 4.505 4.470 0.000 0.000 0.233 362 S C 1.031 175.580 174.600 -0.084 0.000 1.006 362 S CA 0.527 58.674 58.200 -0.087 0.000 0.957 362 S CB -0.273 62.919 63.200 -0.014 0.000 0.773 362 S HN 0.574 nan 8.310 nan 0.000 0.507 363 Q N 0.450 120.220 119.800 -0.051 0.000 2.333 363 Q HA 0.461 4.801 4.340 0.000 0.000 0.266 363 Q C -2.083 173.901 176.000 -0.028 0.000 1.053 363 Q CA -2.370 53.415 55.803 -0.031 0.000 0.890 363 Q CB 0.680 29.414 28.738 -0.007 0.000 1.337 363 Q HN -0.039 nan 8.270 nan 0.000 0.474 364 P HA -0.151 nan 4.420 nan 0.000 0.215 364 P C -0.262 177.026 177.300 -0.019 0.000 1.157 364 P CA 1.297 64.374 63.100 -0.039 0.000 0.874 364 P CB 0.328 31.998 31.700 -0.050 0.000 0.790 365 E N 0.157 120.356 120.200 -0.002 0.000 2.229 365 E HA 0.189 4.539 4.350 0.000 0.000 0.283 365 E C -2.280 174.361 176.600 0.068 0.000 1.030 365 E CA -2.606 53.807 56.400 0.022 0.000 0.836 365 E CB 0.398 30.108 29.700 0.015 0.000 1.068 365 E HN 0.019 nan 8.360 nan 0.000 0.401 366 P HA 0.066 nan 4.420 nan 0.000 0.271 366 P C -1.099 176.336 177.300 0.224 0.000 1.216 366 P CA -0.154 63.045 63.100 0.165 0.000 0.776 366 P CB 0.557 32.319 31.700 0.104 0.000 0.881 367 K N 3.335 123.878 120.400 0.240 0.000 2.394 367 K HA 0.309 4.629 4.320 0.000 0.000 0.260 367 K C -1.075 175.621 176.600 0.159 0.000 0.967 367 K CA -1.023 55.370 56.287 0.177 0.000 0.855 367 K CB 0.784 33.342 32.500 0.097 0.000 1.101 367 K HN 0.331 nan 8.250 nan 0.000 0.433 368 L N 6.482 127.740 121.223 0.058 0.000 2.433 368 L HA 0.139 4.479 4.340 0.000 0.000 0.275 368 L C 0.590 177.364 176.870 -0.159 0.000 1.128 368 L CA 0.550 55.223 54.840 -0.279 0.000 0.875 368 L CB 0.164 42.055 42.059 -0.280 0.000 1.171 368 L HN 0.753 nan 8.230 nan 0.000 0.463 369 L N 5.010 126.130 121.223 -0.170 0.000 2.189 369 L HA 0.256 4.596 4.340 0.000 0.000 0.199 369 L C 0.893 177.720 176.870 -0.071 0.000 1.074 369 L CA 0.399 55.199 54.840 -0.066 0.000 0.783 369 L CB -0.239 41.821 42.059 0.001 0.000 0.955 369 L HN 0.793 nan 8.230 nan 0.000 0.460 370 R N -1.713 118.725 120.500 -0.104 0.000 2.741 370 R HA 0.415 4.755 4.340 0.000 0.000 0.276 370 R C -1.549 174.692 176.300 -0.099 0.000 1.028 370 R CA -0.736 55.317 56.100 -0.077 0.000 0.865 370 R CB 1.214 31.497 30.300 -0.030 0.000 1.268 370 R HN -0.314 nan 8.270 nan 0.000 0.475 371 T N 2.016 116.525 114.554 -0.075 0.000 2.864 371 T HA 0.420 4.770 4.350 0.000 0.000 0.299 371 T C -0.062 174.597 174.700 -0.068 0.000 1.011 371 T CA -0.598 61.456 62.100 -0.077 0.000 0.975 371 T CB 0.605 69.431 68.868 -0.070 0.000 0.962 371 T HN 0.360 nan 8.240 nan 0.000 0.448 372 I N 3.671 124.186 120.570 -0.091 0.000 2.363 372 I HA 0.168 4.338 4.170 0.000 0.000 0.292 372 I C 0.717 176.751 176.117 -0.138 0.000 1.075 372 I CA -0.197 61.028 61.300 -0.125 0.000 1.333 372 I CB 0.382 38.241 38.000 -0.235 0.000 1.415 372 I HN 0.508 nan 8.210 nan 0.000 0.502 373 E N 4.817 124.964 120.200 -0.087 0.000 2.249 373 E HA 0.370 4.720 4.350 0.000 0.000 0.280 373 E C 0.769 177.330 176.600 -0.065 0.000 1.016 373 E CA -0.320 56.037 56.400 -0.071 0.000 0.830 373 E CB 1.391 31.066 29.700 -0.043 0.000 1.081 373 E HN 0.865 nan 8.360 nan 0.000 0.395 374 G N 2.365 111.128 108.800 -0.061 0.000 2.246 374 G HA2 -0.330 3.630 3.960 0.000 0.000 0.273 374 G HA3 -0.330 3.630 3.960 0.000 0.000 0.273 374 G C 0.784 175.669 174.900 -0.024 0.000 1.055 374 G CA 0.284 45.364 45.100 -0.034 0.000 0.851 374 G HN 0.635 nan 8.290 nan 0.000 0.500 375 A N -1.364 121.386 122.820 -0.116 0.000 2.066 375 A HA 0.691 5.011 4.320 0.000 0.000 0.218 375 A C 1.533 179.212 177.584 0.157 0.000 1.157 375 A CA 2.194 54.108 52.037 -0.205 0.000 0.670 375 A CB 0.046 18.721 19.000 -0.541 0.000 0.804 375 A HN 2.422 nan 8.150 nan 0.000 0.453 376 A N -1.825 121.063 122.820 0.114 0.000 2.586 376 A HA 0.599 4.919 4.320 0.000 0.000 0.290 376 A C 0.008 177.642 177.584 0.084 0.000 1.086 376 A CA -0.013 52.145 52.037 0.202 0.000 0.665 376 A CB 0.110 19.208 19.000 0.163 0.000 1.279 376 A HN 0.085 nan 8.150 nan 0.000 0.423 377 E N -0.245 120.006 120.200 0.085 0.000 2.201 377 E HA 0.367 4.718 4.350 0.000 0.000 0.193 377 E C 0.531 177.131 176.600 -0.000 0.000 0.957 377 E CA 0.924 57.348 56.400 0.040 0.000 0.858 377 E CB 0.460 30.198 29.700 0.064 0.000 0.816 377 E HN 0.861 nan 8.360 nan 0.000 0.475 378 A N 1.437 124.251 122.820 -0.010 0.000 3.156 378 A HA 0.341 4.661 4.320 0.000 0.000 0.311 378 A C -0.765 176.761 177.584 -0.097 0.000 1.129 378 A CA -0.429 51.571 52.037 -0.061 0.000 0.809 378 A CB 1.017 20.003 19.000 -0.023 0.000 1.257 378 A HN 0.002 nan 8.150 nan 0.000 0.491 379 S N 1.285 116.920 115.700 -0.108 0.000 2.478 379 S HA 0.668 5.138 4.470 0.000 0.000 0.312 379 S C 0.142 174.636 174.600 -0.176 0.000 1.094 379 S CA -0.463 57.661 58.200 -0.126 0.000 1.081 379 S CB 0.597 63.755 63.200 -0.070 0.000 1.007 379 S HN 0.567 nan 8.310 nan 0.000 0.475 380 L N 4.156 125.241 121.223 -0.231 0.000 3.014 380 L HA 0.462 4.802 4.340 0.000 0.000 0.263 380 L C 0.219 176.981 176.870 -0.181 0.000 1.207 380 L CA 0.033 54.704 54.840 -0.283 0.000 1.017 380 L CB 0.298 42.037 42.059 -0.533 0.000 1.360 380 L HN 0.645 nan 8.230 nan 0.000 0.560 381 Q N 0.940 120.666 119.800 -0.123 0.000 2.364 381 Q HA 0.371 4.711 4.340 0.000 0.000 0.257 381 Q C -2.196 173.784 176.000 -0.032 0.000 0.956 381 Q CA -0.116 55.648 55.803 -0.065 0.000 0.924 381 Q CB 3.548 32.233 28.738 -0.089 0.000 1.413 381 Q HN -0.070 nan 8.270 nan 0.000 0.418 382 V N 3.694 123.607 119.914 -0.002 0.000 2.709 382 V HA 0.628 4.748 4.120 0.000 0.000 0.308 382 V C -1.708 174.397 176.094 0.019 0.000 1.062 382 V CA -0.108 62.190 62.300 -0.002 0.000 0.901 382 V CB 2.362 34.160 31.823 -0.043 0.000 1.003 382 V HN 0.912 nan 8.190 nan 0.000 0.425 383 Q N 4.210 124.039 119.800 0.048 0.000 2.397 383 Q HA 0.542 4.882 4.340 0.000 0.000 0.275 383 Q C -1.590 174.482 176.000 0.119 0.000 1.090 383 Q CA -0.484 55.380 55.803 0.101 0.000 0.809 383 Q CB 3.136 31.947 28.738 0.121 0.000 1.362 383 Q HN 0.724 nan 8.270 nan 0.000 0.431 384 F N 0.817 120.838 119.950 0.118 0.000 2.382 384 F HA 0.137 4.664 4.527 0.000 0.000 0.331 384 F C 0.743 176.680 175.800 0.229 0.000 1.121 384 F CA -0.154 57.931 58.000 0.141 0.000 1.183 384 F CB 0.755 39.781 39.000 0.043 0.000 1.207 384 F HN 0.461 nan 8.300 nan 0.000 0.555 385 H N 3.822 123.162 119.070 0.450 0.000 2.646 385 H HA 0.248 4.804 4.556 0.000 0.000 0.325 385 H C -2.427 173.047 175.328 0.245 0.000 1.075 385 H CA -2.068 54.208 56.048 0.379 0.000 1.421 385 H CB 1.163 31.172 29.762 0.412 0.000 1.461 385 H HN 0.249 nan 8.280 nan 0.000 0.525 386 P HA -0.005 nan 4.420 nan 0.000 0.265 386 P C -0.671 176.749 177.300 0.200 0.000 1.187 386 P CA 0.221 63.357 63.100 0.060 0.000 0.766 386 P CB 0.783 32.436 31.700 -0.078 0.000 0.820 387 V N 0.397 120.387 119.914 0.127 0.000 3.221 387 V HA 0.791 4.911 4.120 0.000 0.000 0.299 387 V C 0.371 176.498 176.094 0.055 0.000 1.594 387 V CA -0.059 62.310 62.300 0.115 0.000 1.036 387 V CB 1.150 33.051 31.823 0.132 0.000 1.107 387 V HN 0.890 nan 8.190 nan 0.000 0.476 388 G N -0.468 108.358 108.800 0.043 0.000 2.445 388 G HA2 0.476 4.436 3.960 0.000 0.000 0.212 388 G HA3 0.476 4.436 3.960 0.000 0.000 0.212 388 G C 0.150 175.061 174.900 0.018 0.000 1.217 388 G CA 0.122 45.234 45.100 0.021 0.000 1.002 388 G HN 2.248 nan 8.290 nan 0.000 0.574 389 G N -2.581 106.224 108.800 0.008 0.000 3.008 389 G HA2 0.818 4.778 3.960 0.000 0.000 0.148 389 G HA3 0.818 4.778 3.960 0.000 0.000 0.148 389 G C -0.933 173.968 174.900 0.002 0.000 1.184 389 G CA 1.095 46.200 45.100 0.008 0.000 1.087 389 G HN 1.905 nan 8.290 nan 0.000 0.602 390 V N 0.000 119.913 119.914 -0.001 0.000 2.409 390 V HA 0.000 4.120 4.120 0.000 0.000 0.244 390 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 390 V CB 0.000 31.825 31.823 0.003 0.000 1.184 390 V HN 0.000 nan 8.190 nan 0.000 0.556