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 3cai_1_B DATA FIRST_RESID 3 DATA SEQUENCE YDVARVRGLH PSLGDGWVHF DAPAGMLIPD SVATTVSTAF RRSGASTVGA DATA SEQUENCE HPSARRSAAV LDAAREAVAD LVNADPGGVV LGADRAVLLS LLAEASSSRA DATA SEQUENCE GLGYEVIVSR LDDEANIAPW LRAAHRYGAK VKWAEVDIET GELPTWQWES DATA SEQUENCE LISKSTRLVA VNSASGTLGG VTDLRAMTKL VHDVGALVVV DHSAAAPYRL DATA SEQUENCE LDIRETDADV VTVNAHAWGG PPIGAMVFRD PSVMNSFGSV STNPYATGPA DATA SEQUENCE RLEIGVHQFG LLAGVVASIE YLAALDESAR GSRRERLAVS MQSADAYLNR DATA SEQUENCE VFDYLMVSLR SLPLVMLIGR PEAQIPVVSF AVHKVPADRV VQRLADNGIL DATA SEQUENCE AIANTGSRVL DVLGVNDVGG AVTVGLAHYS TMAEVDQLVR ALASLG 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.825 175.900 -0.126 0.000 1.272 3 Y CA 0.000 58.059 58.100 -0.068 0.000 1.940 3 Y CB 0.000 38.426 38.460 -0.057 0.000 1.050 4 D N 5.133 125.113 120.400 -0.700 0.000 2.464 4 D HA 0.211 4.851 4.640 0.001 0.000 0.243 4 D C 0.260 176.177 176.300 -0.639 0.000 1.104 4 D CA 0.037 53.756 54.000 -0.469 0.000 0.883 4 D CB 1.789 42.416 40.800 -0.289 0.000 1.050 4 D HN 0.486 nan 8.370 nan 0.000 0.524 5 V N 4.219 123.823 119.914 -0.516 0.000 2.515 5 V HA -0.154 3.966 4.120 0.001 0.000 0.250 5 V C 2.112 178.138 176.094 -0.115 0.000 1.058 5 V CA 2.402 64.505 62.300 -0.328 0.000 1.064 5 V CB -0.257 31.430 31.823 -0.227 0.000 0.675 5 V HN 0.626 nan 8.190 nan 0.000 0.461 6 A N 0.044 122.811 122.820 -0.089 0.000 1.908 6 A HA -0.268 4.053 4.320 0.001 0.000 0.218 6 A C 2.403 179.969 177.584 -0.030 0.000 1.181 6 A CA 2.094 54.117 52.037 -0.024 0.000 0.627 6 A CB -0.682 18.308 19.000 -0.017 0.000 0.818 6 A HN 0.577 nan 8.150 nan 0.000 0.445 7 R N -0.392 120.053 120.500 -0.091 0.000 2.073 7 R HA -0.096 4.244 4.340 0.001 0.000 0.234 7 R C 1.961 178.242 176.300 -0.032 0.000 1.134 7 R CA 1.795 57.849 56.100 -0.077 0.000 0.952 7 R CB -0.408 29.814 30.300 -0.130 0.000 0.850 7 R HN 0.318 nan 8.270 nan 0.000 0.433 8 V N 1.201 121.082 119.914 -0.054 0.000 2.343 8 V HA -0.240 3.880 4.120 0.001 0.000 0.247 8 V C 2.399 178.664 176.094 0.285 0.000 1.051 8 V CA 1.956 64.321 62.300 0.108 0.000 1.036 8 V CB -0.555 31.327 31.823 0.099 0.000 0.654 8 V HN 0.393 nan 8.190 nan 0.000 0.451 9 R N 0.319 120.945 120.500 0.211 0.000 2.105 9 R HA -0.124 4.217 4.340 0.001 0.000 0.239 9 R C 2.436 178.827 176.300 0.151 0.000 1.135 9 R CA 1.407 57.633 56.100 0.209 0.000 0.967 9 R CB -0.836 29.550 30.300 0.144 0.000 0.861 9 R HN 0.596 nan 8.270 nan 0.000 0.442 10 G N 1.016 109.872 108.800 0.093 0.000 2.479 10 G HA2 -0.198 3.762 3.960 0.001 0.000 0.220 10 G HA3 -0.198 3.762 3.960 0.001 0.000 0.220 10 G C 1.287 176.212 174.900 0.041 0.000 1.115 10 G CA 0.409 45.540 45.100 0.053 0.000 0.757 10 G HN 0.192 nan 8.290 nan 0.000 0.560 11 L N -0.145 121.118 121.223 0.066 0.000 2.554 11 L HA 0.172 4.513 4.340 0.001 0.000 0.226 11 L C 0.452 177.185 176.870 -0.228 0.000 1.137 11 L CA 0.186 55.004 54.840 -0.037 0.000 0.863 11 L CB -0.023 42.060 42.059 0.040 0.000 0.985 11 L HN 0.180 nan 8.230 nan 0.000 0.451 12 H N -0.178 118.879 119.070 -0.022 0.000 2.736 12 H HA 0.215 4.771 4.556 0.000 0.000 0.271 12 H C -1.734 173.532 175.328 -0.103 0.000 1.184 12 H CA -1.519 54.462 56.048 -0.112 0.000 1.378 12 H CB 1.478 31.098 29.762 -0.236 0.000 1.428 12 H HN -0.096 nan 8.280 nan 0.000 0.500 13 P HA -0.124 nan 4.420 nan 0.000 0.222 13 P C 1.496 178.794 177.300 -0.003 0.000 1.147 13 P CA 0.879 63.974 63.100 -0.007 0.000 0.790 13 P CB 0.374 32.060 31.700 -0.022 0.000 0.780 14 S N -1.786 113.901 115.700 -0.021 0.000 2.561 14 S HA 0.041 4.511 4.470 0.001 0.000 0.225 14 S C 0.805 175.397 174.600 -0.014 0.000 0.977 14 S CA 0.108 58.293 58.200 -0.024 0.000 0.926 14 S CB -0.993 62.166 63.200 -0.067 0.000 0.769 14 S HN 0.042 nan 8.310 nan 0.000 0.533 15 L N 1.200 122.396 121.223 -0.044 0.000 2.453 15 L HA 0.514 4.854 4.340 0.001 0.000 0.261 15 L C 1.504 178.404 176.870 0.050 0.000 1.179 15 L CA 0.360 55.191 54.840 -0.015 0.000 0.813 15 L CB 0.197 42.213 42.059 -0.072 0.000 1.110 15 L HN 0.428 nan 8.230 nan 0.000 0.466 16 G N 0.898 109.745 108.800 0.079 0.000 2.160 16 G HA2 -0.258 3.702 3.960 0.001 0.000 0.251 16 G HA3 -0.258 3.702 3.960 0.001 0.000 0.251 16 G C 0.373 175.313 174.900 0.067 0.000 1.008 16 G CA 0.435 45.574 45.100 0.065 0.000 0.724 16 G HN 0.895 nan 8.290 nan 0.000 0.514 17 D N -0.594 119.874 120.400 0.115 0.000 2.342 17 D HA 0.378 5.019 4.640 0.001 0.000 0.221 17 D C 1.651 177.999 176.300 0.079 0.000 1.101 17 D CA 0.394 54.473 54.000 0.131 0.000 0.837 17 D CB -0.372 40.558 40.800 0.217 0.000 0.938 17 D HN 1.503 nan 8.370 nan 0.000 0.508 18 G N -0.412 108.372 108.800 -0.027 0.000 2.195 18 G HA2 -0.209 3.752 3.960 0.001 0.000 0.224 18 G HA3 -0.209 3.752 3.960 0.001 0.000 0.224 18 G C -0.488 174.106 174.900 -0.510 0.000 0.990 18 G CA -0.264 44.669 45.100 -0.278 0.000 0.639 18 G HN 0.227 nan 8.290 nan 0.000 0.514 19 W N -0.147 121.145 121.300 -0.013 0.000 2.632 19 W HA 0.683 5.344 4.660 0.001 0.000 0.328 19 W C -0.117 176.346 176.519 -0.094 0.000 1.044 19 W CA -1.110 56.178 57.345 -0.095 0.000 1.225 19 W CB 2.042 31.369 29.460 -0.222 0.000 1.396 19 W HN 0.107 nan 8.180 nan 0.000 0.499 20 V N 3.814 123.814 119.914 0.143 0.000 2.370 20 V HA 0.203 4.324 4.120 0.001 0.000 0.279 20 V C -0.067 176.036 176.094 0.016 0.000 1.029 20 V CA -0.849 61.514 62.300 0.105 0.000 0.870 20 V CB 0.434 32.358 31.823 0.168 0.000 0.984 20 V HN 0.449 nan 8.190 nan 0.000 0.451 21 H N 5.688 124.759 119.070 0.002 0.000 2.761 21 H HA 0.279 4.835 4.556 0.000 0.000 0.284 21 H C -0.418 174.777 175.328 -0.222 0.000 1.105 21 H CA 0.003 56.053 56.048 0.003 0.000 1.352 21 H CB 0.851 30.655 29.762 0.070 0.000 1.423 21 H HN 0.620 nan 8.280 nan 0.000 0.464 22 F N 1.401 121.482 119.950 0.219 0.000 2.708 22 F HA 0.022 4.549 4.527 0.000 0.000 0.300 22 F C 0.935 176.833 175.800 0.163 0.000 1.118 22 F CA -0.479 57.633 58.000 0.186 0.000 1.307 22 F CB 0.542 39.640 39.000 0.162 0.000 0.986 22 F HN 0.449 nan 8.300 nan 0.000 0.522 23 D N -0.596 119.970 120.400 0.275 0.000 2.388 23 D HA 0.151 4.791 4.640 0.001 0.000 0.221 23 D C 1.780 178.181 176.300 0.169 0.000 1.133 23 D CA 0.274 54.397 54.000 0.205 0.000 0.831 23 D CB -0.231 40.669 40.800 0.166 0.000 0.962 23 D HN 0.138 nan 8.370 nan 0.000 0.502 24 A N 1.799 124.721 122.820 0.170 0.000 1.940 24 A HA -0.192 4.129 4.320 0.001 0.000 0.221 24 A C -0.112 177.542 177.584 0.117 0.000 1.190 24 A CA 1.550 53.662 52.037 0.124 0.000 0.647 24 A CB -1.647 17.420 19.000 0.112 0.000 0.821 24 A HN 0.298 nan 8.150 nan 0.000 0.457 25 P HA -0.062 nan 4.420 nan 0.000 0.221 25 P C 1.281 178.639 177.300 0.098 0.000 1.145 25 P CA 1.559 64.731 63.100 0.119 0.000 0.795 25 P CB -0.064 31.703 31.700 0.112 0.000 0.775 26 A N -1.024 121.854 122.820 0.097 0.000 2.208 26 A HA 0.474 4.794 4.320 0.001 0.000 0.209 26 A C 1.030 178.699 177.584 0.142 0.000 1.161 26 A CA 0.838 52.935 52.037 0.101 0.000 0.782 26 A CB -0.705 18.346 19.000 0.084 0.000 0.816 26 A HN 0.283 nan 8.150 nan 0.000 0.477 27 G N -1.017 107.829 108.800 0.077 0.000 2.957 27 G HA2 0.152 4.112 3.960 0.001 0.000 0.636 27 G HA3 0.152 4.112 3.960 0.001 0.000 0.636 27 G C -0.537 174.310 174.900 -0.087 0.000 1.401 27 G CA -0.579 44.481 45.100 -0.067 0.000 0.941 27 G HN 0.189 nan 8.290 nan 0.000 0.610 28 M N 1.624 121.176 119.600 -0.079 0.000 2.163 28 M HA 0.452 4.933 4.480 0.001 0.000 0.305 28 M C 1.182 177.461 176.300 -0.034 0.000 1.166 28 M CA -0.372 54.946 55.300 0.030 0.000 1.132 28 M CB 0.547 33.222 32.600 0.124 0.000 1.413 28 M HN 0.466 nan 8.290 nan 0.000 0.478 29 L N 1.291 122.520 121.223 0.010 0.000 2.467 29 L HA 0.153 4.493 4.340 0.001 0.000 0.270 29 L C -0.278 176.593 176.870 0.002 0.000 1.205 29 L CA -0.035 54.723 54.840 -0.137 0.000 0.828 29 L CB 0.034 41.834 42.059 -0.432 0.000 1.101 29 L HN 0.509 nan 8.230 nan 0.000 0.479 30 I N 3.649 124.179 120.570 -0.066 0.000 2.337 30 I HA 0.174 4.344 4.170 0.001 0.000 0.291 30 I C -1.922 174.100 176.117 -0.158 0.000 1.046 30 I CA -1.834 59.400 61.300 -0.110 0.000 1.324 30 I CB 0.734 38.657 38.000 -0.128 0.000 1.409 30 I HN 0.329 nan 8.210 nan 0.000 0.494 31 P HA 0.016 nan 4.420 nan 0.000 0.269 31 P C 0.239 177.342 177.300 -0.328 0.000 1.209 31 P CA -0.090 62.617 63.100 -0.655 0.000 0.776 31 P CB 0.820 31.994 31.700 -0.876 0.000 0.876 32 D N 1.698 121.937 120.400 -0.268 0.000 2.149 32 D HA -0.215 4.426 4.640 0.001 0.000 0.194 32 D C 1.717 177.956 176.300 -0.102 0.000 1.001 32 D CA 2.368 56.284 54.000 -0.140 0.000 0.849 32 D CB -0.260 40.480 40.800 -0.099 0.000 0.939 32 D HN 0.364 nan 8.370 nan 0.000 0.449 33 S N -0.916 114.727 115.700 -0.097 0.000 2.399 33 S HA -0.150 4.320 4.470 0.001 0.000 0.231 33 S C 2.191 176.769 174.600 -0.037 0.000 1.022 33 S CA 1.269 59.444 58.200 -0.041 0.000 0.983 33 S CB -0.703 62.497 63.200 0.001 0.000 0.803 33 S HN 0.180 nan 8.310 nan 0.000 0.480 34 V N 2.469 122.336 119.914 -0.077 0.000 2.323 34 V HA -0.046 4.074 4.120 0.001 0.000 0.244 34 V C 3.166 179.232 176.094 -0.046 0.000 1.041 34 V CA 1.580 63.847 62.300 -0.056 0.000 1.025 34 V CB -1.505 30.261 31.823 -0.095 0.000 0.656 34 V HN 0.659 nan 8.190 nan 0.000 0.451 35 A N -0.344 122.435 122.820 -0.067 0.000 1.902 35 A HA -0.230 4.090 4.320 0.001 0.000 0.217 35 A C 2.400 179.971 177.584 -0.022 0.000 1.181 35 A CA 2.549 54.556 52.037 -0.049 0.000 0.623 35 A CB -1.034 17.930 19.000 -0.061 0.000 0.818 35 A HN 0.486 nan 8.150 nan 0.000 0.443 36 T N -0.199 114.342 114.554 -0.021 0.000 2.684 36 T HA -0.139 4.211 4.350 0.001 0.000 0.267 36 T C 2.049 176.758 174.700 0.015 0.000 1.036 36 T CA 2.070 64.168 62.100 -0.003 0.000 1.148 36 T CB -0.585 68.279 68.868 -0.008 0.000 0.863 36 T HN 0.571 nan 8.240 nan 0.000 0.436 37 T N 1.794 116.358 114.554 0.016 0.000 2.684 37 T HA -0.094 4.256 4.350 0.001 0.000 0.267 37 T C 2.148 176.881 174.700 0.053 0.000 1.036 37 T CA 1.112 63.232 62.100 0.034 0.000 1.148 37 T CB -0.567 68.323 68.868 0.035 0.000 0.863 37 T HN 0.147 nan 8.240 nan 0.000 0.436 38 V N 1.172 121.113 119.914 0.045 0.000 2.343 38 V HA -0.177 3.943 4.120 0.001 0.000 0.247 38 V C 2.695 178.851 176.094 0.103 0.000 1.051 38 V CA 1.941 64.282 62.300 0.068 0.000 1.036 38 V CB -0.867 30.971 31.823 0.024 0.000 0.654 38 V HN 0.504 nan 8.190 nan 0.000 0.451 39 S N -0.288 115.454 115.700 0.070 0.000 2.359 39 S HA -0.259 4.211 4.470 0.001 0.000 0.223 39 S C 2.106 176.777 174.600 0.118 0.000 1.039 39 S CA 2.627 60.880 58.200 0.088 0.000 1.042 39 S CB -0.440 62.788 63.200 0.048 0.000 0.915 39 S HN 0.706 nan 8.310 nan 0.000 0.439 40 T N 1.971 116.575 114.554 0.082 0.000 2.737 40 T HA 0.075 4.425 4.350 0.001 0.000 0.265 40 T C 2.115 176.862 174.700 0.079 0.000 1.038 40 T CA 1.325 63.466 62.100 0.068 0.000 1.144 40 T CB -0.783 68.112 68.868 0.045 0.000 0.866 40 T HN 0.525 nan 8.240 nan 0.000 0.434 41 A N 1.072 123.951 122.820 0.098 0.000 1.933 41 A HA -0.027 4.293 4.320 0.001 0.000 0.218 41 A C 2.017 179.683 177.584 0.136 0.000 1.175 41 A CA 1.308 53.408 52.037 0.105 0.000 0.628 41 A CB -0.972 18.100 19.000 0.120 0.000 0.814 41 A HN 0.469 nan 8.150 nan 0.000 0.444 42 F N 0.562 120.544 119.950 0.053 0.000 2.134 42 F HA -0.139 4.389 4.527 0.000 0.000 0.299 42 F C 2.310 178.139 175.800 0.048 0.000 1.097 42 F CA 1.941 59.976 58.000 0.058 0.000 1.264 42 F CB -0.270 38.755 39.000 0.040 0.000 1.001 42 F HN 0.215 nan 8.300 nan 0.000 0.479 43 R N 0.145 120.634 120.500 -0.019 0.000 2.075 43 R HA -0.069 4.271 4.340 0.001 0.000 0.232 43 R C 2.058 178.287 176.300 -0.119 0.000 1.126 43 R CA 1.535 57.578 56.100 -0.094 0.000 0.963 43 R CB -0.107 30.209 30.300 0.026 0.000 0.858 43 R HN 0.249 nan 8.270 nan 0.000 0.435 44 R N -0.510 119.954 120.500 -0.060 0.000 2.334 44 R HA 0.208 4.548 4.340 0.001 0.000 0.212 44 R C -0.100 176.167 176.300 -0.056 0.000 0.897 44 R CA -0.076 55.999 56.100 -0.041 0.000 1.056 44 R CB 0.897 31.193 30.300 -0.008 0.000 1.046 44 R HN -0.010 nan 8.270 nan 0.000 0.513 45 S N 0.823 116.477 115.700 -0.077 0.000 2.489 45 S HA 0.322 4.793 4.470 0.001 0.000 0.277 45 S C 0.405 174.927 174.600 -0.131 0.000 1.230 45 S CA -0.604 57.538 58.200 -0.096 0.000 1.053 45 S CB 1.672 64.874 63.200 0.002 0.000 0.955 45 S HN 0.332 nan 8.310 nan 0.000 0.488 46 G N 1.467 110.161 108.800 -0.176 0.000 2.614 46 G HA2 0.377 4.338 3.960 0.001 0.000 0.239 46 G HA3 0.377 4.338 3.960 0.001 0.000 0.239 46 G C 1.103 175.946 174.900 -0.094 0.000 1.240 46 G CA -0.155 44.856 45.100 -0.147 0.000 0.842 46 G HN 0.852 nan 8.290 nan 0.000 0.584 47 A N 0.566 123.367 122.820 -0.031 0.000 1.948 47 A HA 0.144 4.465 4.320 0.001 0.000 0.220 47 A C 1.663 179.358 177.584 0.185 0.000 1.177 47 A CA 2.218 54.296 52.037 0.069 0.000 0.636 47 A CB -0.332 18.681 19.000 0.023 0.000 0.815 47 A HN 1.285 nan 8.150 nan 0.000 0.449 48 S N -3.738 112.005 115.700 0.073 0.000 2.607 48 S HA 0.402 4.873 4.470 0.001 0.000 0.273 48 S C 0.805 175.374 174.600 -0.051 0.000 1.148 48 S CA 0.345 58.620 58.200 0.125 0.000 0.833 48 S CB 1.292 64.550 63.200 0.097 0.000 1.130 48 S HN 0.653 nan 8.310 nan 0.000 0.470 49 T N 0.007 114.574 114.554 0.021 0.000 3.085 49 T HA 0.171 4.522 4.350 0.001 0.000 0.263 49 T C 0.537 175.228 174.700 -0.016 0.000 1.127 49 T CA 0.453 62.520 62.100 -0.055 0.000 1.103 49 T CB -0.375 68.523 68.868 0.052 0.000 0.921 49 T HN 0.340 nan 8.240 nan 0.000 0.510 50 V N 1.548 121.473 119.914 0.018 0.000 2.481 50 V HA 0.743 4.864 4.120 0.001 0.000 0.286 50 V C 0.822 176.922 176.094 0.011 0.000 1.042 50 V CA 0.211 62.523 62.300 0.020 0.000 0.928 50 V CB 0.393 32.239 31.823 0.039 0.000 0.986 50 V HN 0.901 nan 8.190 nan 0.000 0.462 51 G N 3.246 112.052 108.800 0.010 0.000 2.357 51 G HA2 0.379 4.339 3.960 0.001 0.000 0.643 51 G HA3 0.379 4.339 3.960 0.001 0.000 0.643 51 G C 0.155 175.066 174.900 0.019 0.000 1.358 51 G CA -0.028 45.082 45.100 0.017 0.000 0.986 51 G HN 1.102 nan 8.290 nan 0.000 0.620 52 A N -0.362 122.475 122.820 0.029 0.000 2.123 52 A HA 0.263 4.583 4.320 0.001 0.000 0.214 52 A C 1.052 178.649 177.584 0.020 0.000 1.152 52 A CA 1.273 53.319 52.037 0.017 0.000 0.728 52 A CB -0.370 18.637 19.000 0.012 0.000 0.814 52 A HN 1.049 nan 8.150 nan 0.000 0.464 53 H N 0.437 119.486 119.070 -0.034 0.000 2.848 53 H HA 0.103 4.660 4.556 0.001 0.000 0.341 53 H C -1.708 173.591 175.328 -0.049 0.000 1.060 53 H CA -1.252 54.772 56.048 -0.039 0.000 1.444 53 H CB 1.174 30.911 29.762 -0.042 0.000 1.446 53 H HN 0.003 nan 8.280 nan 0.000 0.583 54 P HA -0.214 nan 4.420 nan 0.000 0.217 54 P C 1.550 178.827 177.300 -0.039 0.000 1.148 54 P CA 2.120 65.100 63.100 -0.201 0.000 0.834 54 P CB 0.104 31.630 31.700 -0.290 0.000 0.783 55 S N -0.976 114.836 115.700 0.186 0.000 2.423 55 S HA -0.071 4.399 4.470 0.001 0.000 0.231 55 S C 2.048 176.630 174.600 -0.029 0.000 1.014 55 S CA 1.005 59.270 58.200 0.109 0.000 0.965 55 S CB -1.230 62.053 63.200 0.138 0.000 0.785 55 S HN 0.140 nan 8.310 nan 0.000 0.495 56 A N 2.402 125.222 122.820 -0.000 0.000 1.930 56 A HA 0.042 4.362 4.320 0.001 0.000 0.217 56 A C 2.405 179.916 177.584 -0.121 0.000 1.175 56 A CA 1.106 53.090 52.037 -0.088 0.000 0.627 56 A CB -0.513 18.469 19.000 -0.030 0.000 0.815 56 A HN 0.558 nan 8.150 nan 0.000 0.443 57 R N -0.726 119.728 120.500 -0.077 0.000 2.115 57 R HA -0.016 4.325 4.340 0.001 0.000 0.226 57 R C 2.408 178.651 176.300 -0.094 0.000 1.100 57 R CA 1.100 57.154 56.100 -0.076 0.000 0.980 57 R CB -0.250 30.016 30.300 -0.056 0.000 0.875 57 R HN 0.474 nan 8.270 nan 0.000 0.445 58 R N 0.125 120.566 120.500 -0.099 0.000 2.083 58 R HA -0.079 4.262 4.340 0.001 0.000 0.237 58 R C 2.388 178.588 176.300 -0.167 0.000 1.137 58 R CA 1.730 57.770 56.100 -0.100 0.000 0.951 58 R CB -0.285 29.969 30.300 -0.077 0.000 0.851 58 R HN 0.115 nan 8.270 nan 0.000 0.434 59 S N 0.859 116.361 115.700 -0.329 0.000 2.359 59 S HA -0.178 4.292 4.470 0.001 0.000 0.224 59 S C 2.138 176.485 174.600 -0.422 0.000 1.035 59 S CA 1.329 59.103 58.200 -0.709 0.000 1.018 59 S CB -0.296 62.073 63.200 -1.384 0.000 0.876 59 S HN 0.498 nan 8.310 nan 0.000 0.448 60 A N 1.658 124.327 122.820 -0.251 0.000 1.917 60 A HA -0.026 4.294 4.320 0.001 0.000 0.219 60 A C 2.370 179.934 177.584 -0.033 0.000 1.182 60 A CA 1.959 53.947 52.037 -0.082 0.000 0.633 60 A CB -1.182 17.784 19.000 -0.056 0.000 0.819 60 A HN 0.543 nan 8.150 nan 0.000 0.448 61 A N -0.808 121.983 122.820 -0.048 0.000 1.902 61 A HA 0.015 4.335 4.320 0.001 0.000 0.217 61 A C 2.245 179.834 177.584 0.009 0.000 1.181 61 A CA 1.761 53.788 52.037 -0.017 0.000 0.623 61 A CB -0.901 18.085 19.000 -0.023 0.000 0.818 61 A HN 0.400 nan 8.150 nan 0.000 0.443 62 V N -0.296 119.628 119.914 0.017 0.000 2.343 62 V HA -0.219 3.902 4.120 0.001 0.000 0.247 62 V C 2.484 178.636 176.094 0.097 0.000 1.051 62 V CA 1.921 64.265 62.300 0.073 0.000 1.036 62 V CB -0.721 31.178 31.823 0.126 0.000 0.654 62 V HN 0.592 nan 8.190 nan 0.000 0.451 63 L N 0.410 121.706 121.223 0.122 0.000 2.012 63 L HA -0.185 4.155 4.340 0.001 0.000 0.210 63 L C 2.087 178.968 176.870 0.018 0.000 1.073 63 L CA 2.153 57.031 54.840 0.063 0.000 0.748 63 L CB -0.994 41.118 42.059 0.088 0.000 0.891 63 L HN 0.301 nan 8.230 nan 0.000 0.431 64 D N -0.224 120.192 120.400 0.027 0.000 2.097 64 D HA -0.146 4.494 4.640 0.001 0.000 0.195 64 D C 2.207 178.524 176.300 0.027 0.000 0.989 64 D CA 1.585 55.599 54.000 0.023 0.000 0.827 64 D CB -0.267 40.545 40.800 0.020 0.000 0.966 64 D HN 0.485 nan 8.370 nan 0.000 0.456 65 A N 0.872 123.711 122.820 0.032 0.000 1.940 65 A HA -0.080 4.240 4.320 0.001 0.000 0.219 65 A C 2.283 179.895 177.584 0.046 0.000 1.176 65 A CA 2.278 54.337 52.037 0.037 0.000 0.631 65 A CB -0.653 18.370 19.000 0.039 0.000 0.814 65 A HN 0.246 nan 8.150 nan 0.000 0.446 66 A N -0.258 122.591 122.820 0.048 0.000 1.898 66 A HA -0.121 4.199 4.320 0.001 0.000 0.216 66 A C 2.240 179.857 177.584 0.054 0.000 1.181 66 A CA 1.342 53.413 52.037 0.056 0.000 0.620 66 A CB -0.447 18.580 19.000 0.044 0.000 0.819 66 A HN 0.537 nan 8.150 nan 0.000 0.442 67 R N -0.206 120.317 120.500 0.038 0.000 2.081 67 R HA -0.148 4.192 4.340 0.001 0.000 0.235 67 R C 2.074 178.403 176.300 0.049 0.000 1.131 67 R CA 1.652 57.780 56.100 0.046 0.000 0.960 67 R CB -0.359 29.963 30.300 0.037 0.000 0.856 67 R HN 0.688 nan 8.270 nan 0.000 0.436 68 E N 0.491 120.716 120.200 0.041 0.000 2.072 68 E HA -0.152 4.199 4.350 0.001 0.000 0.191 68 E C 2.065 178.688 176.600 0.039 0.000 0.985 68 E CA 1.112 57.534 56.400 0.036 0.000 0.801 68 E CB -0.090 29.627 29.700 0.029 0.000 0.750 68 E HN 0.350 nan 8.360 nan 0.000 0.452 69 A N 0.978 123.827 122.820 0.048 0.000 1.873 69 A HA -0.137 4.183 4.320 0.001 0.000 0.215 69 A C 2.521 180.140 177.584 0.059 0.000 1.186 69 A CA 1.171 53.240 52.037 0.052 0.000 0.616 69 A CB -0.710 18.334 19.000 0.073 0.000 0.823 69 A HN 0.114 nan 8.150 nan 0.000 0.442 70 V N 0.026 119.989 119.914 0.083 0.000 2.343 70 V HA -0.260 3.860 4.120 0.001 0.000 0.247 70 V C 3.052 179.184 176.094 0.063 0.000 1.051 70 V CA 1.922 64.280 62.300 0.096 0.000 1.036 70 V CB -1.301 30.594 31.823 0.120 0.000 0.654 70 V HN 0.618 nan 8.190 nan 0.000 0.451 71 A N -0.114 122.739 122.820 0.054 0.000 1.908 71 A HA -0.273 4.047 4.320 0.001 0.000 0.218 71 A C 2.004 179.601 177.584 0.022 0.000 1.181 71 A CA 2.114 54.175 52.037 0.041 0.000 0.627 71 A CB -0.632 18.393 19.000 0.041 0.000 0.818 71 A HN 0.534 nan 8.150 nan 0.000 0.445 72 D N -0.586 119.824 120.400 0.016 0.000 2.144 72 D HA -0.115 4.525 4.640 0.001 0.000 0.199 72 D C 1.796 178.086 176.300 -0.017 0.000 0.984 72 D CA 1.075 55.074 54.000 -0.001 0.000 0.834 72 D CB -0.361 40.437 40.800 -0.003 0.000 0.955 72 D HN 0.340 nan 8.370 nan 0.000 0.465 73 L N 0.548 121.759 121.223 -0.020 0.000 2.083 73 L HA -0.123 4.218 4.340 0.001 0.000 0.209 73 L C 1.842 178.692 176.870 -0.033 0.000 1.083 73 L CA 1.290 56.098 54.840 -0.052 0.000 0.752 73 L CB 0.003 42.019 42.059 -0.071 0.000 0.899 73 L HN 0.060 nan 8.230 nan 0.000 0.433 74 V N -3.862 116.045 119.914 -0.012 0.000 3.276 74 V HA 0.379 4.499 4.120 0.001 0.000 0.319 74 V C 0.803 176.883 176.094 -0.024 0.000 1.427 74 V CA 0.202 62.486 62.300 -0.026 0.000 1.102 74 V CB -0.789 31.024 31.823 -0.016 0.000 1.020 74 V HN 0.584 nan 8.190 nan 0.000 0.456 75 N N 0.600 119.291 118.700 -0.014 0.000 2.740 75 N HA -0.165 4.575 4.740 0.001 0.000 0.248 75 N C -0.144 175.366 175.510 0.001 0.000 1.062 75 N CA 0.968 54.012 53.050 -0.010 0.000 0.704 75 N CB -1.175 37.301 38.487 -0.018 0.000 0.968 75 N HN 1.153 nan 8.380 nan 0.000 0.547 76 A N -0.370 122.457 122.820 0.013 0.000 2.637 76 A HA 0.662 4.982 4.320 0.001 0.000 0.258 76 A C -0.399 177.204 177.584 0.032 0.000 1.250 76 A CA -0.171 51.883 52.037 0.027 0.000 0.931 76 A CB 0.720 19.744 19.000 0.041 0.000 1.488 76 A HN 0.433 nan 8.150 nan 0.000 0.464 77 D N -1.322 119.104 120.400 0.043 0.000 2.163 77 D HA 0.518 5.158 4.640 0.001 0.000 0.248 77 D C -1.641 174.691 176.300 0.053 0.000 1.035 77 D CA -1.746 52.279 54.000 0.042 0.000 0.872 77 D CB 1.470 42.294 40.800 0.040 0.000 1.183 77 D HN 0.097 nan 8.370 nan 0.000 0.445 78 P HA -0.086 nan 4.420 nan 0.000 0.218 78 P C 1.261 178.595 177.300 0.057 0.000 1.146 78 P CA 0.854 63.984 63.100 0.050 0.000 0.813 78 P CB 0.052 31.775 31.700 0.038 0.000 0.778 79 G N -0.301 108.529 108.800 0.051 0.000 2.559 79 G HA2 -0.087 3.873 3.960 0.001 0.000 0.216 79 G HA3 -0.087 3.873 3.960 0.001 0.000 0.216 79 G C 1.464 176.402 174.900 0.064 0.000 1.126 79 G CA 0.683 45.812 45.100 0.048 0.000 0.778 79 G HN 0.448 nan 8.290 nan 0.000 0.543 80 G N -0.573 108.285 108.800 0.097 0.000 3.277 80 G HA2 0.349 4.309 3.960 0.001 0.000 0.243 80 G HA3 0.349 4.309 3.960 0.001 0.000 0.243 80 G C -0.125 174.911 174.900 0.227 0.000 1.107 80 G CA -0.066 45.135 45.100 0.167 0.000 0.771 80 G HN 0.198 nan 8.290 nan 0.000 0.544 81 V N 1.874 121.880 119.914 0.154 0.000 2.348 81 V HA 0.318 4.439 4.120 0.001 0.000 0.270 81 V C -0.195 175.988 176.094 0.148 0.000 1.037 81 V CA -0.627 61.761 62.300 0.147 0.000 0.872 81 V CB 1.417 33.301 31.823 0.102 0.000 1.002 81 V HN -0.037 nan 8.190 nan 0.000 0.464 82 V N 7.196 127.221 119.914 0.184 0.000 2.394 82 V HA 0.471 4.591 4.120 0.001 0.000 0.282 82 V C -0.044 176.130 176.094 0.132 0.000 1.031 82 V CA -0.435 61.965 62.300 0.168 0.000 0.881 82 V CB 1.566 33.520 31.823 0.219 0.000 0.982 82 V HN 0.626 nan 8.190 nan 0.000 0.451 83 L N 4.464 125.773 121.223 0.144 0.000 2.329 83 L HA 0.949 5.289 4.340 0.001 0.000 0.279 83 L C 0.600 177.545 176.870 0.125 0.000 1.014 83 L CA -0.015 54.904 54.840 0.131 0.000 0.814 83 L CB 1.867 44.000 42.059 0.123 0.000 1.257 83 L HN 0.818 nan 8.230 nan 0.000 0.424 84 G N 0.245 109.082 108.800 0.062 0.000 2.782 84 G HA2 0.520 4.480 3.960 0.001 0.000 0.304 84 G HA3 0.520 4.480 3.960 0.001 0.000 0.304 84 G C 0.097 174.991 174.900 -0.010 0.000 1.315 84 G CA 0.155 45.264 45.100 0.014 0.000 0.791 84 G HN 0.580 nan 8.290 nan 0.000 0.519 85 A N -1.447 121.351 122.820 -0.037 0.000 2.014 85 A HA 0.354 4.674 4.320 0.001 0.000 0.218 85 A C 0.768 178.314 177.584 -0.064 0.000 1.163 85 A CA 2.053 54.058 52.037 -0.052 0.000 0.652 85 A CB -0.217 18.745 19.000 -0.063 0.000 0.808 85 A HN 0.641 nan 8.150 nan 0.000 0.449 86 D N -2.855 117.509 120.400 -0.059 0.000 2.685 86 D HA 0.073 4.713 4.640 0.001 0.000 0.236 86 D C 0.765 177.034 176.300 -0.051 0.000 1.233 86 D CA -0.440 53.517 54.000 -0.072 0.000 0.760 86 D CB 0.700 41.443 40.800 -0.094 0.000 1.410 86 D HN 0.014 nan 8.370 nan 0.000 0.439 87 R N 1.941 122.415 120.500 -0.043 0.000 2.120 87 R HA -0.076 4.265 4.340 0.001 0.000 0.234 87 R C 1.308 177.588 176.300 -0.033 0.000 1.123 87 R CA 1.776 57.863 56.100 -0.021 0.000 0.975 87 R CB -0.715 29.587 30.300 0.004 0.000 0.866 87 R HN 0.329 nan 8.270 nan 0.000 0.446 88 A N 1.136 123.927 122.820 -0.049 0.000 1.933 88 A HA -0.045 4.275 4.320 0.001 0.000 0.218 88 A C 2.463 179.997 177.584 -0.083 0.000 1.175 88 A CA 1.564 53.564 52.037 -0.062 0.000 0.628 88 A CB -0.448 18.514 19.000 -0.064 0.000 0.814 88 A HN 0.187 nan 8.150 nan 0.000 0.444 89 V N -0.021 119.847 119.914 -0.076 0.000 2.358 89 V HA -0.218 3.902 4.120 0.001 0.000 0.246 89 V C 2.535 178.581 176.094 -0.080 0.000 1.047 89 V CA 1.818 64.070 62.300 -0.078 0.000 1.035 89 V CB -0.709 31.073 31.823 -0.068 0.000 0.658 89 V HN 0.557 nan 8.190 nan 0.000 0.452 90 L N -0.808 120.377 121.223 -0.063 0.000 2.056 90 L HA -0.148 4.192 4.340 0.001 0.000 0.207 90 L C 2.379 179.199 176.870 -0.084 0.000 1.078 90 L CA 1.379 56.186 54.840 -0.055 0.000 0.749 90 L CB -0.483 41.561 42.059 -0.025 0.000 0.901 90 L HN 0.287 nan 8.230 nan 0.000 0.433 91 L N -1.097 120.071 121.223 -0.093 0.000 2.083 91 L HA -0.207 4.133 4.340 0.001 0.000 0.209 91 L C 2.849 179.512 176.870 -0.345 0.000 1.083 91 L CA 1.230 55.980 54.840 -0.150 0.000 0.752 91 L CB -0.531 41.480 42.059 -0.079 0.000 0.899 91 L HN 0.243 nan 8.230 nan 0.000 0.433 92 S N 0.301 115.840 115.700 -0.268 0.000 2.356 92 S HA -0.226 4.244 4.470 0.001 0.000 0.223 92 S C 2.044 176.517 174.600 -0.212 0.000 1.032 92 S CA 1.450 59.489 58.200 -0.268 0.000 1.005 92 S CB -0.288 62.810 63.200 -0.171 0.000 0.867 92 S HN 0.400 nan 8.310 nan 0.000 0.449 93 L N 0.565 121.699 121.223 -0.147 0.000 2.012 93 L HA -0.082 4.259 4.340 0.001 0.000 0.210 93 L C 2.399 179.200 176.870 -0.114 0.000 1.073 93 L CA 1.614 56.392 54.840 -0.103 0.000 0.748 93 L CB -0.385 41.629 42.059 -0.075 0.000 0.891 93 L HN 0.403 nan 8.230 nan 0.000 0.431 94 L N 0.160 121.294 121.223 -0.148 0.000 2.046 94 L HA -0.154 4.186 4.340 0.001 0.000 0.208 94 L C 2.621 179.446 176.870 -0.075 0.000 1.077 94 L CA 2.075 56.839 54.840 -0.127 0.000 0.747 94 L CB -0.892 41.139 42.059 -0.047 0.000 0.896 94 L HN 0.307 nan 8.230 nan 0.000 0.432 95 A N -1.037 121.570 122.820 -0.355 0.000 1.902 95 A HA -0.259 4.061 4.320 0.001 0.000 0.217 95 A C 2.338 179.900 177.584 -0.038 0.000 1.181 95 A CA 1.793 53.599 52.037 -0.386 0.000 0.623 95 A CB -0.724 17.755 19.000 -0.868 0.000 0.818 95 A HN 0.600 nan 8.150 nan 0.000 0.443 96 E N 0.046 120.217 120.200 -0.047 0.000 2.077 96 E HA -0.140 4.211 4.350 0.001 0.000 0.193 96 E C 2.080 178.704 176.600 0.039 0.000 0.989 96 E CA 1.067 57.489 56.400 0.036 0.000 0.800 96 E CB -0.251 29.461 29.700 0.020 0.000 0.746 96 E HN 0.501 nan 8.360 nan 0.000 0.452 97 A N 0.336 123.193 122.820 0.062 0.000 2.070 97 A HA -0.056 4.264 4.320 0.001 0.000 0.220 97 A C 1.962 179.706 177.584 0.268 0.000 1.159 97 A CA 1.306 53.439 52.037 0.160 0.000 0.656 97 A CB -0.050 19.054 19.000 0.174 0.000 0.800 97 A HN 0.184 nan 8.150 nan 0.000 0.453 98 S N 0.013 115.863 115.700 0.250 0.000 2.583 98 S HA 0.079 4.550 4.470 0.001 0.000 0.239 98 S C 1.672 176.329 174.600 0.094 0.000 0.966 98 S CA 0.392 58.749 58.200 0.262 0.000 0.973 98 S CB -0.001 63.450 63.200 0.420 0.000 0.794 98 S HN 0.828 nan 8.310 nan 0.000 0.463 99 S N 2.364 118.025 115.700 -0.065 0.000 2.402 99 S HA -0.195 4.275 4.470 0.001 0.000 0.233 99 S C 2.078 176.518 174.600 -0.266 0.000 1.030 99 S CA 1.615 59.589 58.200 -0.376 0.000 1.003 99 S CB -0.754 61.908 63.200 -0.897 0.000 0.813 99 S HN 0.631 nan 8.310 nan 0.000 0.477 100 S N 2.281 117.893 115.700 -0.146 0.000 2.399 100 S HA -0.029 4.442 4.470 0.001 0.000 0.231 100 S C 1.930 176.502 174.600 -0.046 0.000 1.022 100 S CA 0.667 58.824 58.200 -0.072 0.000 0.983 100 S CB -0.567 62.590 63.200 -0.072 0.000 0.803 100 S HN 0.613 nan 8.310 nan 0.000 0.480 101 R N 1.170 121.626 120.500 -0.074 0.000 2.235 101 R HA 0.247 4.587 4.340 0.001 0.000 0.213 101 R C 1.624 177.943 176.300 0.031 0.000 1.059 101 R CA 0.836 56.848 56.100 -0.147 0.000 0.997 101 R CB -0.280 29.979 30.300 -0.068 0.000 0.884 101 R HN 0.548 nan 8.270 nan 0.000 0.462 102 A N 0.736 123.643 122.820 0.145 0.000 2.507 102 A HA 0.306 4.626 4.320 0.001 0.000 0.270 102 A C 0.700 178.463 177.584 0.299 0.000 1.318 102 A CA -0.186 52.000 52.037 0.249 0.000 0.924 102 A CB 0.229 19.422 19.000 0.321 0.000 1.061 102 A HN 0.269 nan 8.150 nan 0.000 0.516 103 G N -0.834 108.165 108.800 0.332 0.000 2.535 103 G HA2 0.496 4.456 3.960 0.001 0.000 0.303 103 G HA3 0.496 4.456 3.960 0.001 0.000 0.303 103 G C -0.008 175.020 174.900 0.214 0.000 1.237 103 G CA -0.897 44.381 45.100 0.297 0.000 0.986 103 G HN 0.292 nan 8.290 nan 0.000 0.494 104 L N 0.543 121.819 121.223 0.089 0.000 2.540 104 L HA 0.268 4.608 4.340 0.001 0.000 0.276 104 L C 1.681 178.424 176.870 -0.211 0.000 1.212 104 L CA 1.496 56.323 54.840 -0.021 0.000 0.893 104 L CB 0.522 42.569 42.059 -0.020 0.000 1.138 104 L HN 1.053 nan 8.230 nan 0.000 0.491 105 G N 1.720 110.401 108.800 -0.199 0.000 2.241 105 G HA2 -0.278 3.682 3.960 0.001 0.000 0.244 105 G HA3 -0.278 3.682 3.960 0.001 0.000 0.244 105 G C -0.111 174.573 174.900 -0.361 0.000 0.998 105 G CA -0.359 44.543 45.100 -0.330 0.000 0.621 105 G HN 0.465 nan 8.290 nan 0.000 0.519 106 Y N 0.903 121.224 120.300 0.036 0.000 2.458 106 Y HA 0.712 5.262 4.550 0.000 0.000 0.322 106 Y C 0.806 176.726 175.900 0.034 0.000 1.259 106 Y CA -1.024 57.096 58.100 0.033 0.000 1.302 106 Y CB 0.851 39.333 38.460 0.036 0.000 1.314 106 Y HN 0.218 nan 8.280 nan 0.000 0.509 107 E N 0.064 120.395 120.200 0.219 0.000 2.288 107 E HA 0.650 5.001 4.350 0.001 0.000 0.268 107 E C -1.666 174.976 176.600 0.071 0.000 0.885 107 E CA -0.926 55.543 56.400 0.114 0.000 0.767 107 E CB 2.753 32.500 29.700 0.079 0.000 1.220 107 E HN 0.209 nan 8.360 nan 0.000 0.427 108 V N 3.456 123.386 119.914 0.027 0.000 2.487 108 V HA 0.407 4.527 4.120 0.001 0.000 0.298 108 V C -0.437 175.590 176.094 -0.112 0.000 1.028 108 V CA -0.640 61.637 62.300 -0.039 0.000 0.860 108 V CB 1.420 33.253 31.823 0.017 0.000 0.991 108 V HN 0.573 nan 8.190 nan 0.000 0.427 109 I N 5.721 126.201 120.570 -0.149 0.000 2.336 109 I HA 0.596 4.767 4.170 0.001 0.000 0.292 109 I C -0.025 175.942 176.117 -0.250 0.000 0.991 109 I CA -0.612 60.595 61.300 -0.155 0.000 1.227 109 I CB 1.691 39.686 38.000 -0.008 0.000 1.366 109 I HN 0.533 nan 8.210 nan 0.000 0.466 110 V N 2.121 121.822 119.914 -0.355 0.000 3.158 110 V HA 0.717 4.838 4.120 0.001 0.000 0.315 110 V C -0.280 175.695 176.094 -0.197 0.000 1.148 110 V CA -0.698 61.388 62.300 -0.357 0.000 1.042 110 V CB 1.849 33.340 31.823 -0.553 0.000 1.101 110 V HN 0.703 nan 8.190 nan 0.000 0.448 111 S N -0.075 115.618 115.700 -0.011 0.000 2.473 111 S HA 0.533 5.003 4.470 0.001 0.000 0.307 111 S C 0.479 175.291 174.600 0.352 0.000 1.094 111 S CA -0.660 57.639 58.200 0.166 0.000 1.070 111 S CB 1.744 65.028 63.200 0.141 0.000 1.019 111 S HN 0.867 nan 8.310 nan 0.000 0.480 112 R N 3.256 123.995 120.500 0.398 0.000 2.237 112 R HA 0.240 4.580 4.340 0.001 0.000 0.219 112 R C 1.499 177.890 176.300 0.150 0.000 1.080 112 R CA 1.074 57.343 56.100 0.283 0.000 0.995 112 R CB -0.404 29.946 30.300 0.084 0.000 0.875 112 R HN 0.768 nan 8.270 nan 0.000 0.462 113 L N -0.229 121.073 121.223 0.131 0.000 2.567 113 L HA 0.126 4.467 4.340 0.001 0.000 0.225 113 L C -0.384 176.549 176.870 0.103 0.000 1.119 113 L CA 0.174 55.069 54.840 0.091 0.000 0.871 113 L CB 0.001 42.103 42.059 0.072 0.000 1.036 113 L HN 0.167 nan 8.230 nan 0.000 0.459 114 D N 0.165 120.647 120.400 0.135 0.000 2.358 114 D HA 0.018 4.658 4.640 0.001 0.000 0.244 114 D C 0.007 176.376 176.300 0.115 0.000 1.163 114 D CA -0.106 53.969 54.000 0.124 0.000 0.945 114 D CB 0.715 41.597 40.800 0.136 0.000 1.152 114 D HN 0.008 nan 8.370 nan 0.000 0.451 115 D N 0.697 121.155 120.400 0.098 0.000 2.399 115 D HA -0.069 4.572 4.640 0.001 0.000 0.241 115 D C 0.796 177.152 176.300 0.094 0.000 1.133 115 D CA -0.190 53.858 54.000 0.081 0.000 0.890 115 D CB 0.918 41.757 40.800 0.064 0.000 1.201 115 D HN 0.255 nan 8.370 nan 0.000 0.432 116 E N 2.485 122.732 120.200 0.078 0.000 2.219 116 E HA -0.207 4.144 4.350 0.001 0.000 0.198 116 E C 1.734 178.371 176.600 0.063 0.000 0.998 116 E CA 0.936 57.384 56.400 0.080 0.000 0.818 116 E CB -0.341 29.391 29.700 0.052 0.000 0.741 116 E HN 0.594 nan 8.360 nan 0.000 0.477 117 A N 1.110 123.956 122.820 0.044 0.000 1.986 117 A HA -0.205 4.115 4.320 0.001 0.000 0.220 117 A C 1.916 179.529 177.584 0.048 0.000 1.171 117 A CA 1.778 53.827 52.037 0.020 0.000 0.640 117 A CB -0.332 18.675 19.000 0.012 0.000 0.811 117 A HN 0.143 nan 8.150 nan 0.000 0.451 118 N N -1.430 117.347 118.700 0.128 0.000 2.273 118 N HA 0.349 5.089 4.740 0.001 0.000 0.231 118 N C 0.575 176.307 175.510 0.370 0.000 1.134 118 N CA 0.124 53.336 53.050 0.271 0.000 0.856 118 N CB 0.041 38.669 38.487 0.235 0.000 1.068 118 N HN 0.496 nan 8.380 nan 0.000 0.510 119 I N -1.411 119.309 120.570 0.250 0.000 3.746 119 I HA 0.234 4.404 4.170 0.001 0.000 0.262 119 I C 2.001 178.214 176.117 0.160 0.000 1.153 119 I CA 0.254 61.696 61.300 0.236 0.000 1.395 119 I CB -0.441 37.680 38.000 0.202 0.000 1.589 119 I HN 0.015 nan 8.210 nan 0.000 0.441 120 A N 2.623 125.489 122.820 0.078 0.000 1.896 120 A HA -0.176 4.144 4.320 0.001 0.000 0.220 120 A C -0.172 177.373 177.584 -0.066 0.000 1.206 120 A CA 2.522 54.568 52.037 0.015 0.000 0.647 120 A CB -2.207 16.788 19.000 -0.008 0.000 0.828 120 A HN 0.314 nan 8.150 nan 0.000 0.455 121 P HA -0.135 nan 4.420 nan 0.000 0.221 121 P C 1.029 178.112 177.300 -0.362 0.000 1.150 121 P CA 1.214 64.093 63.100 -0.367 0.000 0.800 121 P CB -0.341 30.992 31.700 -0.610 0.000 0.787 122 W N 0.106 121.409 121.300 0.004 0.000 2.409 122 W HA 0.030 4.690 4.660 0.001 0.000 0.299 122 W C 2.509 179.027 176.519 -0.001 0.000 1.203 122 W CA 0.000 57.344 57.345 -0.003 0.000 1.298 122 W CB -1.204 28.225 29.460 -0.051 0.000 1.127 122 W HN -0.198 nan 8.180 nan 0.000 0.528 123 L N 0.211 121.532 121.223 0.164 0.000 2.046 123 L HA -0.164 4.177 4.340 0.001 0.000 0.208 123 L C 2.698 179.631 176.870 0.105 0.000 1.077 123 L CA 1.370 56.276 54.840 0.111 0.000 0.747 123 L CB -0.860 41.257 42.059 0.097 0.000 0.896 123 L HN 0.014 nan 8.230 nan 0.000 0.432 124 R N 0.266 120.800 120.500 0.056 0.000 2.073 124 R HA -0.177 4.164 4.340 0.001 0.000 0.234 124 R C 2.396 178.729 176.300 0.056 0.000 1.134 124 R CA 1.549 57.675 56.100 0.043 0.000 0.952 124 R CB -0.254 30.036 30.300 -0.018 0.000 0.850 124 R HN 0.340 nan 8.270 nan 0.000 0.433 125 A N 0.624 123.498 122.820 0.091 0.000 1.877 125 A HA -0.136 4.184 4.320 0.001 0.000 0.216 125 A C 2.349 180.059 177.584 0.210 0.000 1.186 125 A CA 1.783 53.946 52.037 0.209 0.000 0.620 125 A CB -0.863 18.331 19.000 0.323 0.000 0.822 125 A HN 0.542 nan 8.150 nan 0.000 0.443 126 A N -1.180 121.760 122.820 0.201 0.000 1.908 126 A HA -0.250 4.070 4.320 0.001 0.000 0.218 126 A C 2.148 179.801 177.584 0.115 0.000 1.181 126 A CA 1.819 53.961 52.037 0.175 0.000 0.627 126 A CB -1.042 18.050 19.000 0.154 0.000 0.818 126 A HN 0.790 nan 8.150 nan 0.000 0.445 127 H N -0.278 118.795 119.070 0.005 0.000 2.353 127 H HA -0.064 4.492 4.556 0.000 0.000 0.300 127 H C 2.234 177.492 175.328 -0.116 0.000 1.090 127 H CA 1.795 57.822 56.048 -0.034 0.000 1.327 127 H CB 0.031 29.774 29.762 -0.032 0.000 1.383 127 H HN 0.471 nan 8.280 nan 0.000 0.508 128 R N -0.991 119.303 120.500 -0.344 0.000 2.119 128 R HA -0.066 4.275 4.340 0.001 0.000 0.222 128 R C 1.457 177.378 176.300 -0.631 0.000 1.088 128 R CA 1.455 57.157 56.100 -0.664 0.000 0.984 128 R CB 0.091 29.775 30.300 -1.027 0.000 0.884 128 R HN 0.438 nan 8.270 nan 0.000 0.447 129 Y N -2.468 117.830 120.300 -0.003 0.000 2.483 129 Y HA 0.321 4.872 4.550 0.000 0.000 0.258 129 Y C 1.494 177.412 175.900 0.031 0.000 1.083 129 Y CA 0.086 58.200 58.100 0.024 0.000 1.283 129 Y CB 1.457 39.953 38.460 0.060 0.000 1.178 129 Y HN 0.200 nan 8.280 nan 0.000 0.515 130 G N 0.292 109.170 108.800 0.131 0.000 2.229 130 G HA2 -0.136 3.825 3.960 0.001 0.000 0.189 130 G HA3 -0.136 3.825 3.960 0.001 0.000 0.189 130 G C 0.324 175.284 174.900 0.100 0.000 1.000 130 G CA -0.421 44.730 45.100 0.085 0.000 0.663 130 G HN 0.488 nan 8.290 nan 0.000 0.493 131 A N 0.222 123.133 122.820 0.151 0.000 2.520 131 A HA 0.575 4.895 4.320 0.001 0.000 0.235 131 A C 0.570 178.219 177.584 0.107 0.000 1.065 131 A CA 0.677 52.802 52.037 0.147 0.000 0.764 131 A CB 0.303 19.421 19.000 0.196 0.000 1.002 131 A HN 0.292 nan 8.150 nan 0.000 0.502 132 K N 0.713 121.165 120.400 0.088 0.000 2.298 132 K HA 0.419 4.739 4.320 0.001 0.000 0.280 132 K C -0.545 176.090 176.600 0.057 0.000 1.032 132 K CA 0.003 56.334 56.287 0.073 0.000 0.958 132 K CB 0.942 33.479 32.500 0.062 0.000 0.978 132 K HN 0.358 nan 8.250 nan 0.000 0.472 133 V N 4.435 124.377 119.914 0.047 0.000 2.439 133 V HA 0.317 4.437 4.120 0.001 0.000 0.282 133 V C 0.132 176.206 176.094 -0.032 0.000 1.039 133 V CA -0.559 61.720 62.300 -0.036 0.000 0.913 133 V CB 1.138 32.921 31.823 -0.067 0.000 0.983 133 V HN 0.565 nan 8.190 nan 0.000 0.460 134 K N 3.380 123.713 120.400 -0.112 0.000 2.259 134 K HA 0.498 4.818 4.320 0.001 0.000 0.252 134 K C -1.611 174.890 176.600 -0.165 0.000 0.936 134 K CA -0.541 55.724 56.287 -0.036 0.000 0.810 134 K CB 2.350 34.853 32.500 0.005 0.000 1.143 134 K HN 0.571 nan 8.250 nan 0.000 0.427 135 W N 1.028 122.313 121.300 -0.026 0.000 2.475 135 W HA 0.431 5.091 4.660 0.000 0.000 0.317 135 W C -0.149 176.291 176.519 -0.132 0.000 1.046 135 W CA -0.524 56.790 57.345 -0.051 0.000 1.215 135 W CB 1.658 31.095 29.460 -0.039 0.000 1.335 135 W HN 0.567 nan 8.180 nan 0.000 0.471 136 A N 3.686 126.523 122.820 0.029 0.000 2.409 136 A HA 0.424 4.744 4.320 0.001 0.000 0.267 136 A C -0.005 177.533 177.584 -0.076 0.000 1.127 136 A CA -0.316 51.587 52.037 -0.223 0.000 0.795 136 A CB 0.235 18.986 19.000 -0.415 0.000 1.061 136 A HN 0.559 nan 8.150 nan 0.000 0.502 137 E N 1.168 121.268 120.200 -0.168 0.000 2.212 137 E HA 0.459 4.809 4.350 0.001 0.000 0.270 137 E C 0.020 176.529 176.600 -0.151 0.000 0.956 137 E CA -0.617 55.720 56.400 -0.106 0.000 0.825 137 E CB 1.847 31.494 29.700 -0.088 0.000 1.167 137 E HN 0.586 nan 8.360 nan 0.000 0.400 138 V N -1.424 118.436 119.914 -0.090 0.000 2.863 138 V HA 0.334 4.454 4.120 0.001 0.000 0.307 138 V C 0.032 176.091 176.094 -0.058 0.000 1.061 138 V CA -0.916 61.337 62.300 -0.079 0.000 1.024 138 V CB 1.394 33.195 31.823 -0.035 0.000 1.049 138 V HN 0.574 nan 8.190 nan 0.000 0.471 139 D N 1.172 121.549 120.400 -0.038 0.000 2.312 139 D HA 0.294 4.934 4.640 0.001 0.000 0.252 139 D C 0.901 177.211 176.300 0.018 0.000 1.150 139 D CA -0.056 53.956 54.000 0.020 0.000 0.870 139 D CB 0.988 41.824 40.800 0.059 0.000 1.153 139 D HN 0.517 nan 8.370 nan 0.000 0.457 140 I N 2.431 123.014 120.570 0.023 0.000 2.361 140 I HA -0.163 4.007 4.170 0.001 0.000 0.251 140 I C 0.967 177.094 176.117 0.018 0.000 1.133 140 I CA 0.968 62.276 61.300 0.013 0.000 1.413 140 I CB -0.266 37.740 38.000 0.010 0.000 1.073 140 I HN 0.501 nan 8.210 nan 0.000 0.424 141 E N -0.524 119.692 120.200 0.027 0.000 2.542 141 E HA 0.232 4.582 4.350 0.001 0.000 0.224 141 E C 0.378 176.997 176.600 0.031 0.000 1.110 141 E CA 0.004 56.420 56.400 0.026 0.000 1.350 141 E CB 0.285 30.000 29.700 0.025 0.000 1.302 141 E HN 0.102 nan 8.360 nan 0.000 0.435 142 T N -1.711 112.861 114.554 0.031 0.000 3.352 142 T HA 0.250 4.600 4.350 0.001 0.000 0.269 142 T C 1.335 176.052 174.700 0.028 0.000 0.841 142 T CA -0.114 62.006 62.100 0.033 0.000 0.894 142 T CB 0.493 69.386 68.868 0.041 0.000 1.238 142 T HN 0.364 nan 8.240 nan 0.000 0.586 143 G N 2.182 110.994 108.800 0.020 0.000 2.179 143 G HA2 -0.223 3.737 3.960 0.001 0.000 0.260 143 G HA3 -0.223 3.737 3.960 0.001 0.000 0.260 143 G C -0.188 174.718 174.900 0.010 0.000 0.977 143 G CA 0.444 45.553 45.100 0.015 0.000 0.641 143 G HN 0.546 nan 8.290 nan 0.000 0.533 144 E N -0.847 119.356 120.200 0.005 0.000 2.280 144 E HA 0.558 4.908 4.350 0.001 0.000 0.264 144 E C -0.440 176.130 176.600 -0.050 0.000 1.064 144 E CA -1.016 55.381 56.400 -0.004 0.000 0.900 144 E CB 1.392 31.097 29.700 0.008 0.000 1.123 144 E HN 0.057 nan 8.360 nan 0.000 0.418 145 L N 4.014 125.207 121.223 -0.051 0.000 2.302 145 L HA 0.216 4.557 4.340 0.001 0.000 0.285 145 L C -2.198 174.552 176.870 -0.199 0.000 1.090 145 L CA -1.844 52.921 54.840 -0.124 0.000 0.866 145 L CB 0.315 42.366 42.059 -0.013 0.000 1.244 145 L HN 0.212 nan 8.230 nan 0.000 0.435 146 P HA 0.088 nan 4.420 nan 0.000 0.267 146 P C 0.762 177.689 177.300 -0.621 0.000 1.205 146 P CA -0.156 62.581 63.100 -0.606 0.000 0.765 146 P CB 0.520 31.512 31.700 -1.179 0.000 0.828 147 T N -0.992 113.413 114.554 -0.247 0.000 2.881 147 T HA -0.140 4.210 4.350 0.001 0.000 0.270 147 T C 1.467 176.214 174.700 0.079 0.000 1.068 147 T CA 0.631 62.773 62.100 0.072 0.000 1.131 147 T CB -0.852 68.106 68.868 0.150 0.000 0.871 147 T HN 0.625 nan 8.240 nan 0.000 0.479 148 W N 2.448 123.796 121.300 0.080 0.000 2.825 148 W HA 0.054 4.715 4.660 0.001 0.000 0.243 148 W C 1.742 178.265 176.519 0.005 0.000 1.293 148 W CA 0.446 57.823 57.345 0.053 0.000 1.403 148 W CB -0.712 28.764 29.460 0.027 0.000 1.134 148 W HN 0.532 nan 8.180 nan 0.000 0.666 149 Q N -0.069 119.568 119.800 -0.273 0.000 2.354 149 Q HA -0.099 4.242 4.340 0.001 0.000 0.203 149 Q C 1.569 177.455 176.000 -0.189 0.000 0.933 149 Q CA 0.764 56.404 55.803 -0.271 0.000 0.901 149 Q CB -1.117 27.207 28.738 -0.689 0.000 1.007 149 Q HN 0.259 nan 8.270 nan 0.000 0.495 150 W N 2.210 123.488 121.300 -0.035 0.000 2.374 150 W HA -0.044 4.616 4.660 0.000 0.000 0.288 150 W C 1.995 178.518 176.519 0.007 0.000 1.218 150 W CA 0.950 58.278 57.345 -0.028 0.000 1.245 150 W CB 0.167 29.598 29.460 -0.048 0.000 1.126 150 W HN 0.242 nan 8.180 nan 0.000 0.545 151 E N 0.056 120.400 120.200 0.239 0.000 2.106 151 E HA -0.192 4.158 4.350 0.001 0.000 0.192 151 E C 2.260 178.935 176.600 0.125 0.000 0.984 151 E CA 1.786 58.286 56.400 0.166 0.000 0.806 151 E CB -0.416 29.372 29.700 0.146 0.000 0.750 151 E HN 0.295 nan 8.360 nan 0.000 0.458 152 S N 0.660 116.426 115.700 0.111 0.000 2.414 152 S HA -0.020 4.450 4.470 0.001 0.000 0.227 152 S C 2.091 176.732 174.600 0.067 0.000 1.022 152 S CA 0.322 58.571 58.200 0.083 0.000 0.958 152 S CB -0.280 62.969 63.200 0.082 0.000 0.797 152 S HN 0.128 nan 8.310 nan 0.000 0.493 153 L N 0.573 121.832 121.223 0.061 0.000 2.072 153 L HA 0.249 4.589 4.340 0.001 0.000 0.205 153 L C 0.701 177.625 176.870 0.090 0.000 1.079 153 L CA 0.746 55.617 54.840 0.052 0.000 0.752 153 L CB -0.297 41.765 42.059 0.004 0.000 0.906 153 L HN 0.282 nan 8.230 nan 0.000 0.436 154 I N 0.082 120.730 120.570 0.130 0.000 2.441 154 I HA 0.032 4.202 4.170 0.001 0.000 0.287 154 I C 0.507 176.672 176.117 0.079 0.000 1.049 154 I CA 0.121 61.486 61.300 0.110 0.000 1.381 154 I CB 1.043 39.115 38.000 0.119 0.000 1.409 154 I HN 0.151 nan 8.210 nan 0.000 0.523 155 S N 4.918 120.658 115.700 0.067 0.000 2.740 155 S HA 0.447 4.917 4.470 0.001 0.000 0.300 155 S C 0.460 175.096 174.600 0.060 0.000 1.147 155 S CA -0.966 57.270 58.200 0.060 0.000 0.871 155 S CB 1.753 64.988 63.200 0.058 0.000 1.173 155 S HN 0.557 nan 8.310 nan 0.000 0.510 156 K N 0.543 120.978 120.400 0.058 0.000 2.442 156 K HA 0.022 4.343 4.320 0.001 0.000 0.198 156 K C 1.323 177.979 176.600 0.092 0.000 1.044 156 K CA 1.046 57.371 56.287 0.063 0.000 0.948 156 K CB -0.317 32.216 32.500 0.054 0.000 0.762 156 K HN 0.492 nan 8.250 nan 0.000 0.472 157 S N 0.421 116.183 115.700 0.103 0.000 2.528 157 S HA 0.003 4.473 4.470 0.001 0.000 0.219 157 S C 0.472 175.181 174.600 0.181 0.000 0.985 157 S CA 0.221 58.521 58.200 0.168 0.000 0.914 157 S CB 0.288 63.557 63.200 0.116 0.000 0.776 157 S HN 0.235 nan 8.310 nan 0.000 0.526 158 T N 2.977 117.591 114.554 0.099 0.000 2.853 158 T HA 0.178 4.528 4.350 0.001 0.000 0.298 158 T C 0.998 175.707 174.700 0.016 0.000 0.978 158 T CA 0.052 62.185 62.100 0.056 0.000 1.152 158 T CB 0.570 69.458 68.868 0.033 0.000 0.914 158 T HN 0.081 nan 8.240 nan 0.000 0.539 159 R N 1.916 122.403 120.500 -0.021 0.000 2.342 159 R HA 0.372 4.713 4.340 0.001 0.000 0.204 159 R C -0.155 176.087 176.300 -0.096 0.000 0.882 159 R CA 0.206 56.247 56.100 -0.098 0.000 1.041 159 R CB 0.338 30.504 30.300 -0.224 0.000 1.188 159 R HN 0.492 nan 8.270 nan 0.000 0.598 160 L N 0.784 121.940 121.223 -0.111 0.000 2.464 160 L HA 0.475 4.815 4.340 0.001 0.000 0.266 160 L C -1.226 175.481 176.870 -0.272 0.000 0.965 160 L CA -0.834 53.881 54.840 -0.209 0.000 0.833 160 L CB 3.086 44.996 42.059 -0.247 0.000 1.296 160 L HN -0.349 nan 8.230 nan 0.000 0.405 161 V N 2.243 121.967 119.914 -0.317 0.000 2.483 161 V HA 0.745 4.865 4.120 0.001 0.000 0.297 161 V C -0.182 175.671 176.094 -0.403 0.000 1.027 161 V CA -0.549 61.572 62.300 -0.298 0.000 0.855 161 V CB 1.709 33.407 31.823 -0.209 0.000 0.995 161 V HN 0.776 nan 8.190 nan 0.000 0.424 162 A N 4.527 127.072 122.820 -0.459 0.000 2.287 162 A HA 0.899 5.219 4.320 0.001 0.000 0.317 162 A C -0.838 176.650 177.584 -0.159 0.000 1.220 162 A CA -0.578 51.198 52.037 -0.435 0.000 0.835 162 A CB 1.584 20.088 19.000 -0.826 0.000 1.180 162 A HN 0.956 nan 8.150 nan 0.000 0.500 163 V N 3.036 122.904 119.914 -0.076 0.000 3.159 163 V HA 0.609 4.729 4.120 0.001 0.000 0.308 163 V C -1.551 174.567 176.094 0.040 0.000 1.190 163 V CA -0.926 61.386 62.300 0.020 0.000 1.037 163 V CB 2.583 34.433 31.823 0.046 0.000 1.060 163 V HN 1.127 nan 8.190 nan 0.000 0.437 164 N N 1.796 120.542 118.700 0.076 0.000 2.489 164 N HA 0.308 5.048 4.740 0.001 0.000 0.284 164 N C 0.595 176.158 175.510 0.088 0.000 1.158 164 N CA 0.017 53.119 53.050 0.086 0.000 0.965 164 N CB 1.600 40.142 38.487 0.092 0.000 1.195 164 N HN 0.668 nan 8.380 nan 0.000 0.506 165 S N -0.780 114.994 115.700 0.122 0.000 2.496 165 S HA 0.391 4.862 4.470 0.001 0.000 0.224 165 S C 0.490 175.161 174.600 0.120 0.000 0.996 165 S CA 0.256 58.541 58.200 0.141 0.000 0.927 165 S CB -0.355 63.020 63.200 0.293 0.000 0.774 165 S HN 1.044 nan 8.310 nan 0.000 0.524 166 A N 0.439 123.319 122.820 0.100 0.000 2.597 166 A HA 0.675 4.995 4.320 0.001 0.000 0.292 166 A C -0.722 176.900 177.584 0.063 0.000 1.057 166 A CA -0.355 51.724 52.037 0.070 0.000 0.674 166 A CB 0.772 19.808 19.000 0.060 0.000 1.278 166 A HN 0.324 nan 8.150 nan 0.000 0.416 167 S N -0.071 115.659 115.700 0.050 0.000 2.457 167 S HA 0.495 4.966 4.470 0.001 0.000 0.289 167 S C 1.114 175.743 174.600 0.048 0.000 1.163 167 S CA 0.285 58.516 58.200 0.052 0.000 1.078 167 S CB 0.763 63.992 63.200 0.048 0.000 0.987 167 S HN 1.829 nan 8.310 nan 0.000 0.482 168 G N 3.273 112.108 108.800 0.058 0.000 3.026 168 G HA2 0.103 4.063 3.960 0.001 0.000 0.208 168 G HA3 0.103 4.063 3.960 0.001 0.000 0.208 168 G C 0.784 175.719 174.900 0.058 0.000 1.169 168 G CA 0.299 45.439 45.100 0.067 0.000 0.788 168 G HN 0.702 nan 8.290 nan 0.000 0.533 169 T N 0.007 114.590 114.554 0.048 0.000 3.085 169 T HA 0.174 4.524 4.350 0.001 0.000 0.241 169 T C 2.058 176.785 174.700 0.045 0.000 0.988 169 T CA 0.053 62.178 62.100 0.041 0.000 1.117 169 T CB 0.064 68.950 68.868 0.031 0.000 0.978 169 T HN 0.119 nan 8.240 nan 0.000 0.454 170 L N 0.258 121.508 121.223 0.045 0.000 2.556 170 L HA 0.365 4.705 4.340 0.001 0.000 0.226 170 L C 2.044 178.946 176.870 0.054 0.000 1.089 170 L CA 0.506 55.378 54.840 0.053 0.000 0.864 170 L CB -0.047 42.039 42.059 0.045 0.000 1.067 170 L HN 0.551 nan 8.230 nan 0.000 0.477 171 G N 0.224 109.040 108.800 0.026 0.000 2.253 171 G HA2 -0.254 3.707 3.960 0.001 0.000 0.251 171 G HA3 -0.254 3.707 3.960 0.001 0.000 0.251 171 G C 0.722 175.606 174.900 -0.026 0.000 0.998 171 G CA -0.086 44.999 45.100 -0.025 0.000 0.621 171 G HN 0.499 nan 8.290 nan 0.000 0.524 172 G N -0.087 108.721 108.800 0.014 0.000 2.340 172 G HA2 0.513 4.473 3.960 0.001 0.000 0.245 172 G HA3 0.513 4.473 3.960 0.001 0.000 0.245 172 G C 0.224 175.137 174.900 0.021 0.000 1.294 172 G CA 0.460 45.572 45.100 0.019 0.000 0.896 172 G HN 1.012 nan 8.290 nan 0.000 0.522 173 V N 2.822 122.748 119.914 0.019 0.000 2.461 173 V HA 0.207 4.327 4.120 0.001 0.000 0.275 173 V C 0.851 176.971 176.094 0.044 0.000 1.047 173 V CA -0.421 61.900 62.300 0.034 0.000 0.955 173 V CB 1.128 32.968 31.823 0.029 0.000 0.988 173 V HN 0.787 nan 8.190 nan 0.000 0.471 174 T N 3.646 118.234 114.554 0.056 0.000 2.897 174 T HA 0.121 4.471 4.350 0.001 0.000 0.294 174 T C -0.060 174.670 174.700 0.049 0.000 1.004 174 T CA -0.177 61.961 62.100 0.063 0.000 1.106 174 T CB 0.701 69.620 68.868 0.086 0.000 0.949 174 T HN 0.737 nan 8.240 nan 0.000 0.520 175 D N 2.495 122.929 120.400 0.056 0.000 2.380 175 D HA 0.191 4.832 4.640 0.001 0.000 0.230 175 D C 0.452 176.757 176.300 0.008 0.000 1.154 175 D CA -0.359 53.661 54.000 0.035 0.000 0.859 175 D CB 0.383 41.211 40.800 0.047 0.000 1.045 175 D HN 0.423 nan 8.370 nan 0.000 0.495 176 L N 3.497 124.684 121.223 -0.060 0.000 2.693 176 L HA 0.237 4.577 4.340 0.001 0.000 0.235 176 L C 2.172 178.913 176.870 -0.214 0.000 1.127 176 L CA -0.256 54.475 54.840 -0.181 0.000 0.914 176 L CB 0.230 42.184 42.059 -0.175 0.000 1.193 176 L HN 0.202 nan 8.230 nan 0.000 0.502 177 R N 0.952 121.379 120.500 -0.121 0.000 2.070 177 R HA -0.135 4.205 4.340 0.001 0.000 0.233 177 R C 2.497 178.725 176.300 -0.120 0.000 1.137 177 R CA 1.696 57.738 56.100 -0.097 0.000 0.945 177 R CB -0.463 29.811 30.300 -0.043 0.000 0.845 177 R HN 0.329 nan 8.270 nan 0.000 0.430 178 A N 1.443 124.200 122.820 -0.105 0.000 1.877 178 A HA -0.178 4.142 4.320 0.001 0.000 0.216 178 A C 2.170 179.629 177.584 -0.209 0.000 1.186 178 A CA 1.392 53.376 52.037 -0.088 0.000 0.620 178 A CB -0.549 18.456 19.000 0.009 0.000 0.822 178 A HN 0.271 nan 8.150 nan 0.000 0.443 179 M N 0.216 119.540 119.600 -0.460 0.000 2.073 179 M HA -0.173 4.307 4.480 0.001 0.000 0.258 179 M C 1.968 177.932 176.300 -0.559 0.000 1.070 179 M CA 2.754 57.545 55.300 -0.848 0.000 1.103 179 M CB -1.558 30.052 32.600 -1.650 0.000 1.321 179 M HN 0.427 nan 8.290 nan 0.000 0.405 180 T N 0.868 115.151 114.554 -0.453 0.000 2.684 180 T HA -0.155 4.195 4.350 0.001 0.000 0.267 180 T C 1.757 176.243 174.700 -0.357 0.000 1.036 180 T CA 1.843 63.683 62.100 -0.433 0.000 1.148 180 T CB -0.164 68.528 68.868 -0.293 0.000 0.863 180 T HN 0.274 nan 8.240 nan 0.000 0.436 181 K N 1.077 121.376 120.400 -0.168 0.000 2.020 181 K HA 0.018 4.338 4.320 0.001 0.000 0.212 181 K C 2.111 178.677 176.600 -0.056 0.000 1.050 181 K CA 1.198 57.453 56.287 -0.052 0.000 0.929 181 K CB -0.818 31.665 32.500 -0.028 0.000 0.714 181 K HN 0.286 nan 8.250 nan 0.000 0.443 182 L N -0.210 120.956 121.223 -0.094 0.000 2.046 182 L HA -0.193 4.148 4.340 0.001 0.000 0.208 182 L C 2.182 179.011 176.870 -0.070 0.000 1.077 182 L CA 0.898 55.707 54.840 -0.050 0.000 0.747 182 L CB -0.519 41.529 42.059 -0.019 0.000 0.896 182 L HN -0.020 nan 8.230 nan 0.000 0.432 183 V N -0.997 118.812 119.914 -0.176 0.000 2.343 183 V HA -0.290 3.830 4.120 0.001 0.000 0.247 183 V C 2.532 178.564 176.094 -0.104 0.000 1.051 183 V CA 1.651 63.839 62.300 -0.186 0.000 1.036 183 V CB -0.806 30.818 31.823 -0.332 0.000 0.654 183 V HN 0.440 nan 8.190 nan 0.000 0.451 184 H N -0.011 119.017 119.070 -0.071 0.000 2.421 184 H HA -0.113 4.443 4.556 0.000 0.000 0.298 184 H C 2.197 177.504 175.328 -0.034 0.000 1.087 184 H CA 1.481 57.498 56.048 -0.052 0.000 1.330 184 H CB -0.420 29.311 29.762 -0.051 0.000 1.388 184 H HN 0.431 nan 8.280 nan 0.000 0.526 185 D N 0.147 120.600 120.400 0.088 0.000 2.182 185 D HA -0.117 4.523 4.640 0.001 0.000 0.201 185 D C 1.989 178.312 176.300 0.038 0.000 0.986 185 D CA 1.290 55.320 54.000 0.050 0.000 0.847 185 D CB -0.050 40.770 40.800 0.033 0.000 0.942 185 D HN 0.403 nan 8.370 nan 0.000 0.467 186 V N -3.982 115.952 119.914 0.033 0.000 3.621 186 V HA 0.495 4.615 4.120 0.001 0.000 0.285 186 V C 1.327 177.435 176.094 0.023 0.000 1.346 186 V CA 0.458 62.775 62.300 0.028 0.000 1.104 186 V CB 0.038 31.878 31.823 0.028 0.000 0.913 186 V HN 0.177 nan 8.190 nan 0.000 0.432 187 G N 0.104 108.923 108.800 0.032 0.000 2.147 187 G HA2 -0.053 3.907 3.960 0.001 0.000 0.244 187 G HA3 -0.053 3.907 3.960 0.001 0.000 0.244 187 G C 0.300 175.204 174.900 0.007 0.000 1.005 187 G CA 0.344 45.457 45.100 0.022 0.000 0.713 187 G HN 1.597 nan 8.290 nan 0.000 0.515 188 A N -0.835 121.990 122.820 0.008 0.000 2.286 188 A HA 0.832 5.153 4.320 0.001 0.000 0.286 188 A C 0.229 177.810 177.584 -0.006 0.000 1.097 188 A CA -0.394 51.627 52.037 -0.028 0.000 0.821 188 A CB 1.058 20.024 19.000 -0.056 0.000 1.076 188 A HN 1.295 nan 8.150 nan 0.000 0.490 189 L N 1.700 122.905 121.223 -0.030 0.000 2.305 189 L HA 0.473 4.813 4.340 0.001 0.000 0.281 189 L C -0.443 176.369 176.870 -0.097 0.000 1.085 189 L CA 0.229 55.068 54.840 -0.001 0.000 0.813 189 L CB 1.395 43.484 42.059 0.051 0.000 1.157 189 L HN 0.369 nan 8.230 nan 0.000 0.436 190 V N 6.139 126.001 119.914 -0.087 0.000 2.350 190 V HA 0.381 4.501 4.120 0.001 0.000 0.276 190 V C -0.345 175.668 176.094 -0.136 0.000 1.028 190 V CA -0.625 61.566 62.300 -0.180 0.000 0.860 190 V CB 1.427 33.099 31.823 -0.252 0.000 0.990 190 V HN 0.486 nan 8.190 nan 0.000 0.453 191 V N 6.090 125.894 119.914 -0.182 0.000 2.357 191 V HA 0.450 4.570 4.120 0.001 0.000 0.284 191 V C -0.162 175.871 176.094 -0.103 0.000 1.018 191 V CA -0.568 61.652 62.300 -0.133 0.000 0.841 191 V CB 1.807 33.551 31.823 -0.131 0.000 0.991 191 V HN 0.576 nan 8.190 nan 0.000 0.437 192 V N 3.605 123.480 119.914 -0.065 0.000 2.357 192 V HA 0.351 4.471 4.120 0.001 0.000 0.284 192 V C -0.302 175.813 176.094 0.035 0.000 1.018 192 V CA -0.530 61.755 62.300 -0.026 0.000 0.841 192 V CB 1.843 33.640 31.823 -0.043 0.000 0.991 192 V HN 0.893 nan 8.190 nan 0.000 0.437 193 D N 2.736 123.179 120.400 0.071 0.000 2.365 193 D HA 0.132 4.772 4.640 0.001 0.000 0.237 193 D C 0.579 176.974 176.300 0.157 0.000 1.190 193 D CA 0.059 54.123 54.000 0.107 0.000 0.867 193 D CB 0.662 41.525 40.800 0.105 0.000 1.050 193 D HN 0.601 nan 8.370 nan 0.000 0.491 194 H N 1.893 120.997 119.070 0.055 0.000 2.517 194 H HA 0.235 4.792 4.556 0.000 0.000 0.282 194 H C 1.341 176.735 175.328 0.110 0.000 1.023 194 H CA 0.280 56.371 56.048 0.072 0.000 1.169 194 H CB 0.433 30.232 29.762 0.061 0.000 1.454 194 H HN 0.222 nan 8.280 nan 0.000 0.556 195 S N -0.353 115.393 115.700 0.078 0.000 2.370 195 S HA -0.189 4.281 4.470 0.001 0.000 0.226 195 S C 2.333 176.945 174.600 0.019 0.000 1.033 195 S CA 1.106 59.341 58.200 0.059 0.000 1.011 195 S CB -0.284 62.952 63.200 0.061 0.000 0.852 195 S HN 0.660 nan 8.310 nan 0.000 0.457 196 A N 0.876 123.705 122.820 0.014 0.000 1.968 196 A HA 0.315 4.635 4.320 0.001 0.000 0.217 196 A C 2.170 179.787 177.584 0.055 0.000 1.169 196 A CA 1.422 53.488 52.037 0.048 0.000 0.638 196 A CB -0.619 18.421 19.000 0.067 0.000 0.812 196 A HN 0.507 nan 8.150 nan 0.000 0.446 197 A N -0.770 122.000 122.820 -0.083 0.000 2.147 197 A HA 0.500 4.820 4.320 0.001 0.000 0.211 197 A C 2.249 179.685 177.584 -0.246 0.000 1.160 197 A CA 1.116 53.107 52.037 -0.077 0.000 0.781 197 A CB -0.585 18.355 19.000 -0.100 0.000 0.842 197 A HN 0.865 nan 8.150 nan 0.000 0.475 198 A N 1.079 123.631 122.820 -0.447 0.000 1.978 198 A HA -0.039 4.282 4.320 0.001 0.000 0.220 198 A C -0.029 177.483 177.584 -0.121 0.000 1.170 198 A CA 1.799 53.683 52.037 -0.255 0.000 0.636 198 A CB -1.437 17.598 19.000 0.058 0.000 0.810 198 A HN 0.448 nan 8.150 nan 0.000 0.448 199 P HA -0.078 nan 4.420 nan 0.000 0.223 199 P C 0.430 177.576 177.300 -0.257 0.000 1.151 199 P CA 1.122 64.096 63.100 -0.210 0.000 0.787 199 P CB -0.104 31.300 31.700 -0.493 0.000 0.788 200 Y N -1.867 118.459 120.300 0.043 0.000 2.607 200 Y HA 0.294 4.845 4.550 0.001 0.000 0.276 200 Y C 1.161 177.070 175.900 0.014 0.000 1.117 200 Y CA -0.299 57.810 58.100 0.015 0.000 1.273 200 Y CB 0.533 38.953 38.460 -0.067 0.000 1.282 200 Y HN -0.353 nan 8.280 nan 0.000 0.514 201 R N 0.852 121.457 120.500 0.176 0.000 2.628 201 R HA 0.483 4.823 4.340 0.001 0.000 0.288 201 R C -1.484 174.934 176.300 0.198 0.000 0.980 201 R CA -0.633 55.563 56.100 0.160 0.000 0.891 201 R CB 2.056 32.464 30.300 0.180 0.000 1.188 201 R HN -0.008 nan 8.270 nan 0.000 0.450 202 L N 3.815 125.101 121.223 0.105 0.000 2.367 202 L HA 0.330 4.670 4.340 0.001 0.000 0.275 202 L C -0.181 176.696 176.870 0.011 0.000 1.129 202 L CA -0.376 54.502 54.840 0.064 0.000 0.839 202 L CB 0.694 42.753 42.059 -0.000 0.000 1.133 202 L HN 0.405 nan 8.230 nan 0.000 0.453 203 L N 3.573 124.721 121.223 -0.126 0.000 2.295 203 L HA 0.365 4.705 4.340 0.001 0.000 0.285 203 L C -0.466 176.304 176.870 -0.166 0.000 1.035 203 L CA -0.338 54.315 54.840 -0.312 0.000 0.806 203 L CB 1.310 42.865 42.059 -0.839 0.000 1.214 203 L HN 0.491 nan 8.230 nan 0.000 0.426 204 D N 4.952 125.283 120.400 -0.115 0.000 2.443 204 D HA 0.098 4.738 4.640 0.001 0.000 0.221 204 D C 0.973 177.231 176.300 -0.069 0.000 1.097 204 D CA -0.063 53.894 54.000 -0.071 0.000 0.865 204 D CB 1.181 41.953 40.800 -0.046 0.000 1.034 204 D HN 0.677 nan 8.370 nan 0.000 0.511 205 I N 3.790 124.323 120.570 -0.061 0.000 2.567 205 I HA -0.231 3.940 4.170 0.001 0.000 0.257 205 I C 1.872 177.975 176.117 -0.024 0.000 1.184 205 I CA 0.774 62.046 61.300 -0.046 0.000 1.451 205 I CB 0.291 38.273 38.000 -0.030 0.000 1.089 205 I HN 0.250 nan 8.210 nan 0.000 0.441 206 R N 0.431 120.919 120.500 -0.020 0.000 2.093 206 R HA -0.075 4.266 4.340 0.001 0.000 0.224 206 R C 1.859 178.151 176.300 -0.014 0.000 1.101 206 R CA 1.097 57.190 56.100 -0.012 0.000 0.979 206 R CB -0.632 29.662 30.300 -0.009 0.000 0.877 206 R HN 0.514 nan 8.270 nan 0.000 0.441 207 E N 0.376 120.564 120.200 -0.021 0.000 2.076 207 E HA -0.089 4.261 4.350 0.001 0.000 0.190 207 E C 1.886 178.472 176.600 -0.023 0.000 0.979 207 E CA 1.658 58.045 56.400 -0.020 0.000 0.807 207 E CB -0.015 29.671 29.700 -0.023 0.000 0.761 207 E HN 0.418 nan 8.360 nan 0.000 0.454 208 T N -1.548 112.985 114.554 -0.034 0.000 2.985 208 T HA -0.093 4.257 4.350 0.001 0.000 0.266 208 T C 0.565 175.253 174.700 -0.020 0.000 1.076 208 T CA 0.881 62.956 62.100 -0.042 0.000 1.135 208 T CB 0.019 68.845 68.868 -0.070 0.000 0.890 208 T HN -0.033 nan 8.240 nan 0.000 0.480 209 D N 0.852 121.256 120.400 0.005 0.000 3.076 209 D HA -0.127 4.513 4.640 0.001 0.000 0.218 209 D C 0.366 176.739 176.300 0.122 0.000 1.156 209 D CA 0.914 54.953 54.000 0.066 0.000 0.921 209 D CB -1.798 39.067 40.800 0.109 0.000 1.113 209 D HN 0.894 nan 8.370 nan 0.000 0.418 210 A N 0.581 123.414 122.820 0.022 0.000 2.531 210 A HA 0.098 4.418 4.320 0.001 0.000 0.236 210 A C 1.324 178.932 177.584 0.040 0.000 1.062 210 A CA 0.546 52.581 52.037 -0.004 0.000 0.760 210 A CB 0.450 19.414 19.000 -0.060 0.000 0.995 210 A HN 0.051 nan 8.150 nan 0.000 0.501 211 D N 0.354 120.791 120.400 0.060 0.000 2.162 211 D HA 0.047 4.688 4.640 0.001 0.000 0.203 211 D C 0.085 176.376 176.300 -0.015 0.000 0.967 211 D CA 1.443 55.493 54.000 0.082 0.000 0.840 211 D CB 0.138 41.023 40.800 0.142 0.000 0.972 211 D HN 0.254 nan 8.370 nan 0.000 0.482 212 V N 1.247 121.092 119.914 -0.115 0.000 2.686 212 V HA 0.323 4.443 4.120 0.001 0.000 0.306 212 V C -0.308 175.678 176.094 -0.179 0.000 1.065 212 V CA -0.805 61.316 62.300 -0.299 0.000 0.894 212 V CB 2.879 34.431 31.823 -0.451 0.000 1.004 212 V HN -0.260 nan 8.190 nan 0.000 0.424 213 V N 3.250 123.067 119.914 -0.163 0.000 2.540 213 V HA 0.684 4.805 4.120 0.001 0.000 0.302 213 V C 0.133 176.207 176.094 -0.035 0.000 1.035 213 V CA -0.452 61.808 62.300 -0.067 0.000 0.873 213 V CB 2.423 34.217 31.823 -0.047 0.000 0.992 213 V HN 1.033 nan 8.190 nan 0.000 0.428 214 T N 1.769 116.339 114.554 0.027 0.000 2.855 214 T HA 0.862 5.212 4.350 0.001 0.000 0.281 214 T C -0.473 174.305 174.700 0.130 0.000 1.007 214 T CA -0.684 61.450 62.100 0.055 0.000 1.009 214 T CB 1.747 70.640 68.868 0.042 0.000 0.983 214 T HN 0.904 nan 8.240 nan 0.000 0.455 215 V N -0.550 119.451 119.914 0.144 0.000 3.102 215 V HA 0.850 4.970 4.120 0.001 0.000 0.312 215 V C -1.254 174.909 176.094 0.116 0.000 1.135 215 V CA -1.159 61.266 62.300 0.209 0.000 1.022 215 V CB 2.138 34.186 31.823 0.375 0.000 1.056 215 V HN 0.867 nan 8.190 nan 0.000 0.436 216 N N 0.763 119.493 118.700 0.050 0.000 2.540 216 N HA 0.722 5.462 4.740 0.001 0.000 0.275 216 N C 0.576 175.797 175.510 -0.481 0.000 1.053 216 N CA 0.198 53.175 53.050 -0.122 0.000 0.876 216 N CB 1.967 40.410 38.487 -0.073 0.000 1.284 216 N HN 1.039 nan 8.380 nan 0.000 0.518 217 A N 2.139 124.549 122.820 -0.684 0.000 1.978 217 A HA -0.217 4.103 4.320 0.001 0.000 0.220 217 A C 1.894 178.797 177.584 -1.134 0.000 1.170 217 A CA 1.266 52.438 52.037 -1.443 0.000 0.636 217 A CB -0.796 17.813 19.000 -0.652 0.000 0.810 217 A HN 0.874 nan 8.150 nan 0.000 0.448 218 H N 0.240 118.944 119.070 -0.610 0.000 2.394 218 H HA -0.194 4.362 4.556 0.001 0.000 0.297 218 H C 2.222 177.346 175.328 -0.340 0.000 1.113 218 H CA 1.756 57.574 56.048 -0.383 0.000 1.277 218 H CB -0.176 29.444 29.762 -0.236 0.000 1.370 218 H HN 0.448 nan 8.280 nan 0.000 0.506 219 A N 1.039 123.715 122.820 -0.239 0.000 1.940 219 A HA -0.203 4.117 4.320 0.001 0.000 0.219 219 A C 1.916 179.481 177.584 -0.031 0.000 1.176 219 A CA 1.559 53.544 52.037 -0.086 0.000 0.631 219 A CB -1.164 17.847 19.000 0.017 0.000 0.814 219 A HN 0.765 nan 8.150 nan 0.000 0.446 220 W N -2.267 119.015 121.300 -0.031 0.000 3.223 220 W HA 0.505 5.166 4.660 0.001 0.000 0.389 220 W C 0.792 177.320 176.519 0.015 0.000 1.118 220 W CA -0.296 57.056 57.345 0.013 0.000 1.902 220 W CB -0.576 28.920 29.460 0.059 0.000 1.094 220 W HN 0.690 nan 8.180 nan 0.000 0.666 221 G N 0.246 108.961 108.800 -0.142 0.000 2.141 221 G HA2 -0.152 3.808 3.960 0.001 0.000 0.242 221 G HA3 -0.152 3.808 3.960 0.001 0.000 0.242 221 G C 0.651 175.418 174.900 -0.222 0.000 0.982 221 G CA -0.232 44.772 45.100 -0.159 0.000 0.662 221 G HN 0.828 nan 8.290 nan 0.000 0.527 222 G N -0.087 108.477 108.800 -0.393 0.000 2.621 222 G HA2 0.651 4.611 3.960 0.001 0.000 0.271 222 G HA3 0.651 4.611 3.960 0.001 0.000 0.271 222 G C -1.768 172.983 174.900 -0.248 0.000 1.236 222 G CA -0.605 44.312 45.100 -0.304 0.000 0.958 222 G HN 0.255 nan 8.290 nan 0.000 0.512 223 P HA 0.203 nan 4.420 nan 0.000 0.272 223 P C -2.410 174.846 177.300 -0.074 0.000 1.240 223 P CA -1.411 61.636 63.100 -0.087 0.000 0.791 223 P CB 0.220 31.892 31.700 -0.048 0.000 0.978 224 P HA 0.165 nan 4.420 nan 0.000 0.256 224 P C -0.729 176.531 177.300 -0.066 0.000 1.688 224 P CA 0.840 63.922 63.100 -0.030 0.000 1.162 224 P CB -0.332 31.343 31.700 -0.041 0.000 1.870 225 I N 1.744 122.266 120.570 -0.079 0.000 2.619 225 I HA 0.473 4.644 4.170 0.001 0.000 0.292 225 I C 0.658 176.738 176.117 -0.061 0.000 1.100 225 I CA -0.603 60.665 61.300 -0.054 0.000 1.043 225 I CB 2.401 40.388 38.000 -0.022 0.000 1.239 225 I HN 0.167 nan 8.210 nan 0.000 0.420 226 G N 3.444 112.225 108.800 -0.032 0.000 2.489 226 G HA2 0.829 4.789 3.960 0.001 0.000 0.327 226 G HA3 0.829 4.789 3.960 0.001 0.000 0.327 226 G C -1.299 173.619 174.900 0.031 0.000 1.189 226 G CA -0.532 44.561 45.100 -0.012 0.000 0.962 226 G HN 0.764 nan 8.290 nan 0.000 0.486 227 A N 0.565 123.420 122.820 0.058 0.000 2.475 227 A HA 0.784 5.104 4.320 0.001 0.000 0.301 227 A C -0.785 176.833 177.584 0.057 0.000 1.059 227 A CA -0.660 51.423 52.037 0.076 0.000 0.710 227 A CB 1.902 20.969 19.000 0.111 0.000 1.288 227 A HN 0.900 nan 8.150 nan 0.000 0.408 228 M N 3.034 122.662 119.600 0.046 0.000 2.142 228 M HA 0.574 5.055 4.480 0.001 0.000 0.299 228 M C -1.990 174.297 176.300 -0.022 0.000 0.960 228 M CA -0.458 54.824 55.300 -0.030 0.000 0.920 228 M CB 1.348 33.919 32.600 -0.048 0.000 1.541 228 M HN 0.394 nan 8.290 nan 0.000 0.429 229 V N 5.734 125.593 119.914 -0.092 0.000 2.384 229 V HA 0.475 4.596 4.120 0.001 0.000 0.287 229 V C -0.848 175.176 176.094 -0.117 0.000 1.020 229 V CA -0.435 61.865 62.300 -0.000 0.000 0.850 229 V CB 1.285 33.127 31.823 0.031 0.000 0.987 229 V HN 0.684 nan 8.190 nan 0.000 0.436 230 F N 3.653 123.627 119.950 0.040 0.000 2.410 230 F HA 0.477 5.005 4.527 0.000 0.000 0.349 230 F C 1.414 177.239 175.800 0.042 0.000 1.117 230 F CA -0.463 57.568 58.000 0.052 0.000 1.104 230 F CB 1.172 40.214 39.000 0.070 0.000 1.122 230 F HN 0.431 nan 8.300 nan 0.000 0.483 231 R N 0.826 121.424 120.500 0.165 0.000 2.096 231 R HA -0.145 4.195 4.340 0.001 0.000 0.235 231 R C -0.214 176.153 176.300 0.112 0.000 1.127 231 R CA 1.434 57.596 56.100 0.103 0.000 0.968 231 R CB 0.014 30.351 30.300 0.062 0.000 0.861 231 R HN 0.629 nan 8.270 nan 0.000 0.440 232 D N -0.956 119.537 120.400 0.155 0.000 2.440 232 D HA 0.202 4.843 4.640 0.001 0.000 0.252 232 D C -2.109 174.263 176.300 0.120 0.000 1.180 232 D CA -2.578 51.486 54.000 0.107 0.000 0.894 232 D CB 1.923 42.767 40.800 0.074 0.000 1.111 232 D HN -0.127 nan 8.370 nan 0.000 0.544 233 P HA -0.160 nan 4.420 nan 0.000 0.219 233 P C 1.456 178.742 177.300 -0.022 0.000 1.146 233 P CA 0.876 63.992 63.100 0.026 0.000 0.808 233 P CB 0.292 32.008 31.700 0.025 0.000 0.779 234 S N -0.604 115.095 115.700 -0.002 0.000 2.387 234 S HA -0.156 4.314 4.470 0.001 0.000 0.230 234 S C 1.879 176.463 174.600 -0.027 0.000 1.035 234 S CA 1.522 59.712 58.200 -0.017 0.000 1.014 234 S CB -1.364 61.830 63.200 -0.010 0.000 0.836 234 S HN -0.052 nan 8.310 nan 0.000 0.466 235 V N 2.049 121.969 119.914 0.011 0.000 2.688 235 V HA -0.164 3.956 4.120 0.001 0.000 0.256 235 V C 2.406 178.511 176.094 0.019 0.000 1.084 235 V CA 2.015 64.340 62.300 0.042 0.000 1.103 235 V CB -0.830 31.120 31.823 0.211 0.000 0.688 235 V HN 0.598 nan 8.190 nan 0.000 0.480 236 M N 0.111 119.632 119.600 -0.132 0.000 2.254 236 M HA -0.082 4.398 4.480 0.001 0.000 0.265 236 M C 1.617 177.903 176.300 -0.024 0.000 1.066 236 M CA 1.512 56.692 55.300 -0.200 0.000 1.123 236 M CB -0.519 31.808 32.600 -0.456 0.000 1.388 236 M HN 0.383 nan 8.290 nan 0.000 0.425 237 N N 0.057 118.724 118.700 -0.055 0.000 2.461 237 N HA -0.058 4.682 4.740 0.001 0.000 0.188 237 N C 1.714 177.183 175.510 -0.068 0.000 1.134 237 N CA 0.895 53.920 53.050 -0.042 0.000 0.878 237 N CB -0.077 38.386 38.487 -0.039 0.000 0.972 237 N HN 0.314 nan 8.380 nan 0.000 0.456 238 S N -0.227 115.393 115.700 -0.134 0.000 2.436 238 S HA 0.034 4.504 4.470 0.001 0.000 0.228 238 S C 0.367 174.777 174.600 -0.316 0.000 1.014 238 S CA 0.004 58.049 58.200 -0.257 0.000 0.950 238 S CB -0.372 62.602 63.200 -0.377 0.000 0.784 238 S HN 0.094 nan 8.310 nan 0.000 0.504 239 F N 2.933 122.851 119.950 -0.054 0.000 2.438 239 F HA 0.546 5.074 4.527 0.000 0.000 0.356 239 F C 1.482 177.256 175.800 -0.045 0.000 1.099 239 F CA -0.379 57.599 58.000 -0.036 0.000 1.185 239 F CB 0.345 39.328 39.000 -0.028 0.000 1.115 239 F HN 0.203 nan 8.300 nan 0.000 0.526 240 G N 2.194 111.070 108.800 0.126 0.000 2.321 240 G HA2 0.091 4.051 3.960 0.001 0.000 0.237 240 G HA3 0.091 4.051 3.960 0.001 0.000 0.237 240 G C 0.111 175.047 174.900 0.060 0.000 1.282 240 G CA -0.520 44.617 45.100 0.062 0.000 0.886 240 G HN 0.666 nan 8.290 nan 0.000 0.528 241 S N 0.018 115.732 115.700 0.024 0.000 2.562 241 S HA 0.164 4.634 4.470 0.001 0.000 0.281 241 S C 1.278 175.877 174.600 -0.001 0.000 1.333 241 S CA -0.115 58.089 58.200 0.007 0.000 1.052 241 S CB 0.967 64.161 63.200 -0.010 0.000 0.884 241 S HN 1.286 nan 8.310 nan 0.000 0.506 242 V N 2.201 122.110 119.914 -0.008 0.000 3.477 242 V HA 0.384 4.505 4.120 0.001 0.000 0.297 242 V C 0.765 176.841 176.094 -0.031 0.000 1.433 242 V CA -0.042 62.247 62.300 -0.018 0.000 1.052 242 V CB -0.292 31.520 31.823 -0.017 0.000 0.895 242 V HN 0.702 nan 8.190 nan 0.000 0.438 243 S N 2.096 117.778 115.700 -0.031 0.000 2.572 243 S HA 0.170 4.641 4.470 0.001 0.000 0.279 243 S C 1.530 176.102 174.600 -0.046 0.000 1.341 243 S CA 0.625 58.802 58.200 -0.038 0.000 1.043 243 S CB 1.148 64.333 63.200 -0.025 0.000 0.887 243 S HN 0.842 nan 8.310 nan 0.000 0.516 244 T N 1.218 115.744 114.554 -0.047 0.000 3.148 244 T HA 0.061 4.411 4.350 0.001 0.000 0.253 244 T C 0.499 175.166 174.700 -0.054 0.000 1.134 244 T CA 0.101 62.172 62.100 -0.048 0.000 1.051 244 T CB -0.486 68.359 68.868 -0.039 0.000 0.959 244 T HN 0.512 nan 8.240 nan 0.000 0.525 245 N N 2.830 121.501 118.700 -0.047 0.000 2.462 245 N HA 0.267 5.008 4.740 0.001 0.000 0.242 245 N C -1.640 173.792 175.510 -0.131 0.000 1.010 245 N CA -2.690 50.330 53.050 -0.050 0.000 0.939 245 N CB 1.679 40.179 38.487 0.021 0.000 1.127 245 N HN 0.003 nan 8.380 nan 0.000 0.509 246 P HA -0.101 nan 4.420 nan 0.000 0.225 246 P C -0.015 176.999 177.300 -0.476 0.000 1.148 246 P CA 1.212 64.041 63.100 -0.451 0.000 0.779 246 P CB -0.040 31.252 31.700 -0.681 0.000 0.780 247 Y N -0.578 119.728 120.300 0.010 0.000 2.524 247 Y HA 0.457 5.007 4.550 0.000 0.000 0.266 247 Y C 1.453 177.361 175.900 0.014 0.000 1.180 247 Y CA -0.911 57.195 58.100 0.010 0.000 1.244 247 Y CB -0.294 38.173 38.460 0.011 0.000 1.125 247 Y HN -0.118 nan 8.280 nan 0.000 0.524 248 A N 1.364 124.236 122.820 0.086 0.000 2.520 248 A HA 0.390 4.710 4.320 0.001 0.000 0.235 248 A C 0.695 178.316 177.584 0.061 0.000 1.065 248 A CA 0.617 52.696 52.037 0.070 0.000 0.764 248 A CB -0.087 18.935 19.000 0.036 0.000 1.002 248 A HN 0.351 nan 8.150 nan 0.000 0.502 249 T N -0.844 113.745 114.554 0.058 0.000 2.901 249 T HA 0.772 5.122 4.350 0.001 0.000 0.293 249 T C 0.552 175.272 174.700 0.032 0.000 1.084 249 T CA 0.328 62.452 62.100 0.040 0.000 1.008 249 T CB 1.176 70.069 68.868 0.041 0.000 1.170 249 T HN 2.624 nan 8.240 nan 0.000 0.509 250 G N 2.086 110.895 108.800 0.015 0.000 2.575 250 G HA2 -0.167 3.793 3.960 0.001 0.000 0.267 250 G HA3 -0.167 3.793 3.960 0.001 0.000 0.267 250 G C -1.647 173.254 174.900 0.003 0.000 1.264 250 G CA -0.006 45.099 45.100 0.008 0.000 0.935 250 G HN 0.801 nan 8.290 nan 0.000 0.568 251 P HA 0.070 nan 4.420 nan 0.000 0.226 251 P C 1.842 179.177 177.300 0.058 0.000 1.153 251 P CA 2.317 65.435 63.100 0.030 0.000 0.777 251 P CB -0.375 31.367 31.700 0.070 0.000 0.794 252 A N 0.761 123.625 122.820 0.074 0.000 2.076 252 A HA -0.189 4.131 4.320 0.001 0.000 0.220 252 A C 2.313 179.925 177.584 0.046 0.000 1.160 252 A CA 1.144 53.238 52.037 0.094 0.000 0.653 252 A CB -1.106 17.957 19.000 0.105 0.000 0.801 252 A HN 0.121 nan 8.150 nan 0.000 0.455 253 R N -0.864 119.649 120.500 0.023 0.000 2.152 253 R HA 0.028 4.369 4.340 0.001 0.000 0.232 253 R C 0.834 177.131 176.300 -0.004 0.000 1.117 253 R CA 1.036 57.138 56.100 0.004 0.000 0.981 253 R CB -0.261 30.036 30.300 -0.005 0.000 0.870 253 R HN 0.490 nan 8.270 nan 0.000 0.451 254 L N 0.520 121.742 121.223 -0.002 0.000 2.818 254 L HA 0.191 4.532 4.340 0.001 0.000 0.243 254 L C -0.439 176.431 176.870 0.001 0.000 1.185 254 L CA 0.010 54.847 54.840 -0.005 0.000 0.988 254 L CB 0.306 42.359 42.059 -0.010 0.000 1.292 254 L HN 0.038 nan 8.230 nan 0.000 0.519 255 E N 1.485 121.681 120.200 -0.007 0.000 2.129 255 E HA 0.468 4.818 4.350 0.001 0.000 0.268 255 E C -0.701 175.836 176.600 -0.105 0.000 0.900 255 E CA -0.337 56.032 56.400 -0.053 0.000 0.755 255 E CB 2.267 31.953 29.700 -0.023 0.000 1.117 255 E HN 0.156 nan 8.360 nan 0.000 0.410 256 I N 2.747 123.246 120.570 -0.119 0.000 2.339 256 I HA 0.538 4.709 4.170 0.001 0.000 0.290 256 I C 0.674 176.703 176.117 -0.146 0.000 0.994 256 I CA -0.314 60.922 61.300 -0.108 0.000 1.191 256 I CB 1.279 39.234 38.000 -0.076 0.000 1.343 256 I HN 0.724 nan 8.210 nan 0.000 0.458 257 G N 4.053 112.772 108.800 -0.135 0.000 2.712 257 G HA2 -0.121 3.840 3.960 0.001 0.000 0.683 257 G HA3 -0.121 3.840 3.960 0.001 0.000 0.683 257 G C -0.685 174.097 174.900 -0.197 0.000 1.320 257 G CA -1.147 43.874 45.100 -0.133 0.000 0.847 257 G HN 0.472 nan 8.290 nan 0.000 0.553 258 V N 2.493 122.322 119.914 -0.143 0.000 2.655 258 V HA 0.197 4.318 4.120 0.001 0.000 0.300 258 V C 1.175 177.110 176.094 -0.264 0.000 1.044 258 V CA -0.275 61.942 62.300 -0.139 0.000 1.095 258 V CB 1.004 32.800 31.823 -0.046 0.000 0.952 258 V HN 0.691 nan 8.190 nan 0.000 0.485 259 H N 3.706 122.575 119.070 -0.335 0.000 2.707 259 H HA 0.166 4.722 4.556 0.001 0.000 0.359 259 H C 0.262 175.122 175.328 -0.779 0.000 1.113 259 H CA 0.289 55.987 56.048 -0.584 0.000 1.422 259 H CB 0.739 30.043 29.762 -0.763 0.000 1.443 259 H HN 0.628 nan 8.280 nan 0.000 0.591 260 Q N 4.069 123.682 119.800 -0.311 0.000 2.810 260 Q HA 0.102 4.442 4.340 0.001 0.000 0.236 260 Q C 0.610 176.544 176.000 -0.109 0.000 1.278 260 Q CA -0.328 55.375 55.803 -0.167 0.000 1.065 260 Q CB 0.057 28.766 28.738 -0.048 0.000 1.364 260 Q HN 0.582 nan 8.270 nan 0.000 0.570 261 F N 0.122 120.152 119.950 0.134 0.000 2.161 261 F HA -0.188 4.339 4.527 0.000 0.000 0.300 261 F C 2.257 178.119 175.800 0.104 0.000 1.089 261 F CA 1.151 59.207 58.000 0.093 0.000 1.282 261 F CB -0.219 38.819 39.000 0.063 0.000 1.010 261 F HN 0.559 nan 8.300 nan 0.000 0.485 262 G N 0.526 109.526 108.800 0.333 0.000 2.446 262 G HA2 -0.200 3.760 3.960 0.001 0.000 0.217 262 G HA3 -0.200 3.760 3.960 0.001 0.000 0.217 262 G C 1.679 176.684 174.900 0.175 0.000 1.168 262 G CA 0.897 46.173 45.100 0.294 0.000 0.771 262 G HN 0.300 nan 8.290 nan 0.000 0.551 263 L N -0.032 121.267 121.223 0.126 0.000 2.093 263 L HA 0.030 4.370 4.340 0.001 0.000 0.208 263 L C 2.910 179.817 176.870 0.061 0.000 1.085 263 L CA 0.433 55.307 54.840 0.057 0.000 0.755 263 L CB -0.471 41.598 42.059 0.016 0.000 0.904 263 L HN 0.187 nan 8.230 nan 0.000 0.435 264 L N -0.097 121.172 121.223 0.077 0.000 2.083 264 L HA -0.198 4.142 4.340 0.001 0.000 0.209 264 L C 2.936 179.862 176.870 0.093 0.000 1.083 264 L CA 1.125 56.011 54.840 0.075 0.000 0.752 264 L CB -0.800 41.300 42.059 0.069 0.000 0.899 264 L HN 0.249 nan 8.230 nan 0.000 0.433 265 A N 0.532 123.420 122.820 0.114 0.000 1.908 265 A HA -0.152 4.168 4.320 0.001 0.000 0.218 265 A C 2.413 180.046 177.584 0.081 0.000 1.181 265 A CA 1.810 53.906 52.037 0.098 0.000 0.627 265 A CB -1.232 17.831 19.000 0.103 0.000 0.818 265 A HN 0.450 nan 8.150 nan 0.000 0.445 266 G N -0.710 108.134 108.800 0.072 0.000 2.432 266 G HA2 -0.076 3.884 3.960 0.001 0.000 0.219 266 G HA3 -0.076 3.884 3.960 0.001 0.000 0.219 266 G C 1.477 176.421 174.900 0.073 0.000 1.135 266 G CA 1.140 46.272 45.100 0.053 0.000 0.767 266 G HN 0.318 nan 8.290 nan 0.000 0.550 267 V N 0.629 120.592 119.914 0.083 0.000 2.295 267 V HA -0.195 3.925 4.120 0.001 0.000 0.246 267 V C 3.032 179.231 176.094 0.174 0.000 1.049 267 V CA 1.604 63.983 62.300 0.132 0.000 1.024 267 V CB -0.489 31.404 31.823 0.117 0.000 0.648 267 V HN 0.260 nan 8.190 nan 0.000 0.447 268 V N 0.442 120.431 119.914 0.125 0.000 2.255 268 V HA -0.313 3.808 4.120 0.001 0.000 0.247 268 V C 2.728 178.890 176.094 0.114 0.000 1.051 268 V CA 2.264 64.630 62.300 0.109 0.000 1.018 268 V CB -1.293 30.578 31.823 0.080 0.000 0.641 268 V HN 0.573 nan 8.190 nan 0.000 0.445 269 A N 0.663 123.546 122.820 0.104 0.000 1.933 269 A HA -0.220 4.101 4.320 0.001 0.000 0.218 269 A C 2.549 180.224 177.584 0.151 0.000 1.175 269 A CA 2.378 54.475 52.037 0.100 0.000 0.628 269 A CB -0.761 18.279 19.000 0.067 0.000 0.814 269 A HN 0.715 nan 8.150 nan 0.000 0.444 270 S N -0.144 115.675 115.700 0.198 0.000 2.402 270 S HA -0.065 4.406 4.470 0.001 0.000 0.229 270 S C 1.838 176.668 174.600 0.383 0.000 1.021 270 S CA 1.327 59.726 58.200 0.332 0.000 0.974 270 S CB -0.651 62.798 63.200 0.415 0.000 0.800 270 S HN 0.478 nan 8.310 nan 0.000 0.484 271 I N 1.321 122.053 120.570 0.271 0.000 2.439 271 I HA -0.044 4.126 4.170 0.001 0.000 0.251 271 I C 2.877 179.015 176.117 0.035 0.000 1.139 271 I CA 1.346 62.691 61.300 0.075 0.000 1.438 271 I CB -0.304 37.737 38.000 0.069 0.000 1.085 271 I HN 0.303 nan 8.210 nan 0.000 0.427 272 E N 0.739 120.989 120.200 0.083 0.000 2.106 272 E HA -0.271 4.080 4.350 0.001 0.000 0.192 272 E C 2.007 178.644 176.600 0.062 0.000 0.984 272 E CA 1.368 57.800 56.400 0.054 0.000 0.806 272 E CB -0.405 29.332 29.700 0.062 0.000 0.750 272 E HN 0.507 nan 8.360 nan 0.000 0.458 273 Y N 0.673 120.967 120.300 -0.009 0.000 2.097 273 Y HA -0.226 4.325 4.550 0.001 0.000 0.282 273 Y C 1.846 177.702 175.900 -0.073 0.000 1.152 273 Y CA 2.005 60.092 58.100 -0.022 0.000 1.136 273 Y CB -0.376 38.096 38.460 0.021 0.000 0.975 273 Y HN 0.043 nan 8.280 nan 0.000 0.498 274 L N 0.000 121.143 121.223 -0.134 0.000 2.042 274 L HA -0.263 4.077 4.340 0.001 0.000 0.210 274 L C 2.794 179.510 176.870 -0.258 0.000 1.076 274 L CA 1.325 55.972 54.840 -0.322 0.000 0.749 274 L CB -1.086 40.775 42.059 -0.329 0.000 0.893 274 L HN 0.396 nan 8.230 nan 0.000 0.432 275 A N -0.322 122.402 122.820 -0.160 0.000 2.015 275 A HA -0.012 4.308 4.320 0.001 0.000 0.219 275 A C 2.171 179.689 177.584 -0.110 0.000 1.163 275 A CA 1.566 53.536 52.037 -0.112 0.000 0.646 275 A CB -0.427 18.532 19.000 -0.068 0.000 0.806 275 A HN 0.411 nan 8.150 nan 0.000 0.448 276 A N -1.034 121.700 122.820 -0.144 0.000 2.387 276 A HA 0.495 4.815 4.320 0.001 0.000 0.234 276 A C 1.587 179.065 177.584 -0.176 0.000 1.253 276 A CA -0.151 51.810 52.037 -0.128 0.000 0.894 276 A CB -0.356 18.591 19.000 -0.088 0.000 0.963 276 A HN 0.384 nan 8.150 nan 0.000 0.508 277 L N -0.331 120.754 121.223 -0.232 0.000 2.127 277 L HA -0.106 4.234 4.340 0.001 0.000 0.211 277 L C 0.682 177.510 176.870 -0.070 0.000 1.089 277 L CA 1.031 55.757 54.840 -0.189 0.000 0.757 277 L CB -0.089 41.891 42.059 -0.132 0.000 0.899 277 L HN 0.338 nan 8.230 nan 0.000 0.434 278 D N -0.044 120.337 120.400 -0.031 0.000 2.373 278 D HA 0.013 4.654 4.640 0.001 0.000 0.227 278 D C 0.787 177.056 176.300 -0.052 0.000 1.091 278 D CA -0.076 53.916 54.000 -0.015 0.000 0.840 278 D CB 1.526 42.347 40.800 0.035 0.000 1.060 278 D HN 0.095 nan 8.370 nan 0.000 0.502 279 E N 1.678 121.833 120.200 -0.074 0.000 2.265 279 E HA -0.124 4.227 4.350 0.001 0.000 0.196 279 E C 0.888 177.464 176.600 -0.040 0.000 0.996 279 E CA 0.699 57.061 56.400 -0.063 0.000 0.832 279 E CB 0.401 30.058 29.700 -0.072 0.000 0.756 279 E HN 0.288 nan 8.360 nan 0.000 0.491 280 S N 0.146 115.829 115.700 -0.030 0.000 2.562 280 S HA 0.171 4.642 4.470 0.001 0.000 0.221 280 S C 0.469 175.061 174.600 -0.014 0.000 0.975 280 S CA 0.190 58.379 58.200 -0.018 0.000 0.918 280 S CB 0.471 63.666 63.200 -0.010 0.000 0.772 280 S HN 0.370 nan 8.310 nan 0.000 0.531 281 A N 3.025 125.835 122.820 -0.017 0.000 2.524 281 A HA 0.355 4.675 4.320 0.001 0.000 0.250 281 A C 0.463 178.037 177.584 -0.016 0.000 1.078 281 A CA 0.160 52.188 52.037 -0.015 0.000 0.761 281 A CB 0.213 19.200 19.000 -0.022 0.000 1.012 281 A HN 0.212 nan 8.150 nan 0.000 0.500 282 R N 1.436 121.929 120.500 -0.012 0.000 2.803 282 R HA 0.821 5.161 4.340 0.001 0.000 0.276 282 R C 0.320 176.615 176.300 -0.010 0.000 0.978 282 R CA 0.213 56.307 56.100 -0.011 0.000 0.939 282 R CB 1.577 31.872 30.300 -0.008 0.000 1.179 282 R HN 1.758 nan 8.270 nan 0.000 0.472 283 G N 0.342 109.137 108.800 -0.009 0.000 2.318 283 G HA2 -0.170 3.790 3.960 0.001 0.000 0.367 283 G HA3 -0.170 3.790 3.960 0.001 0.000 0.367 283 G C -0.687 174.207 174.900 -0.009 0.000 1.260 283 G CA -0.360 44.735 45.100 -0.008 0.000 1.055 283 G HN 0.740 nan 8.290 nan 0.000 0.484 284 S N -0.278 115.417 115.700 -0.008 0.000 2.587 284 S HA 0.323 4.794 4.470 0.001 0.000 0.260 284 S C 1.606 176.200 174.600 -0.011 0.000 1.353 284 S CA 0.826 59.022 58.200 -0.008 0.000 0.995 284 S CB 1.380 64.576 63.200 -0.006 0.000 0.912 284 S HN 1.081 nan 8.310 nan 0.000 0.568 285 R N 0.822 121.315 120.500 -0.010 0.000 2.091 285 R HA -0.128 4.212 4.340 0.001 0.000 0.238 285 R C 2.493 178.780 176.300 -0.023 0.000 1.136 285 R CA 1.639 57.730 56.100 -0.016 0.000 0.959 285 R CB -0.310 29.984 30.300 -0.010 0.000 0.856 285 R HN 0.760 nan 8.270 nan 0.000 0.437 286 R N 0.239 120.729 120.500 -0.018 0.000 2.091 286 R HA -0.147 4.194 4.340 0.001 0.000 0.238 286 R C 2.277 178.564 176.300 -0.022 0.000 1.136 286 R CA 2.043 58.130 56.100 -0.021 0.000 0.959 286 R CB -0.195 30.096 30.300 -0.015 0.000 0.856 286 R HN 0.429 nan 8.270 nan 0.000 0.437 287 E N -0.034 120.156 120.200 -0.017 0.000 2.077 287 E HA -0.172 4.178 4.350 0.001 0.000 0.193 287 E C 2.137 178.725 176.600 -0.019 0.000 0.989 287 E CA 1.012 57.403 56.400 -0.015 0.000 0.800 287 E CB 0.030 29.724 29.700 -0.011 0.000 0.746 287 E HN 0.266 nan 8.360 nan 0.000 0.452 288 R N 0.310 120.796 120.500 -0.023 0.000 2.090 288 R HA -0.051 4.289 4.340 0.001 0.000 0.228 288 R C 2.471 178.747 176.300 -0.041 0.000 1.110 288 R CA 0.680 56.763 56.100 -0.029 0.000 0.973 288 R CB -0.238 30.044 30.300 -0.031 0.000 0.869 288 R HN 0.166 nan 8.270 nan 0.000 0.440 289 L N 0.282 121.476 121.223 -0.049 0.000 2.042 289 L HA -0.219 4.121 4.340 0.001 0.000 0.210 289 L C 2.680 179.521 176.870 -0.049 0.000 1.076 289 L CA 1.416 56.217 54.840 -0.066 0.000 0.749 289 L CB -0.576 41.438 42.059 -0.075 0.000 0.893 289 L HN 0.253 nan 8.230 nan 0.000 0.432 290 A N -0.468 122.333 122.820 -0.032 0.000 1.865 290 A HA -0.178 4.143 4.320 0.001 0.000 0.217 290 A C 2.320 179.897 177.584 -0.012 0.000 1.191 290 A CA 2.031 54.056 52.037 -0.019 0.000 0.623 290 A CB -0.935 18.056 19.000 -0.014 0.000 0.826 290 A HN 0.189 nan 8.150 nan 0.000 0.444 291 V N -0.299 119.609 119.914 -0.011 0.000 2.295 291 V HA -0.225 3.895 4.120 0.001 0.000 0.246 291 V C 2.835 178.933 176.094 0.006 0.000 1.049 291 V CA 2.419 64.719 62.300 -0.000 0.000 1.024 291 V CB -0.840 30.983 31.823 -0.001 0.000 0.648 291 V HN 0.563 nan 8.190 nan 0.000 0.447 292 S N -0.645 115.049 115.700 -0.011 0.000 2.368 292 S HA -0.151 4.320 4.470 0.001 0.000 0.225 292 S C 1.977 176.575 174.600 -0.003 0.000 1.030 292 S CA 1.509 59.704 58.200 -0.007 0.000 0.999 292 S CB -0.293 62.872 63.200 -0.058 0.000 0.844 292 S HN 0.379 nan 8.310 nan 0.000 0.459 293 M N 0.961 120.547 119.600 -0.023 0.000 2.175 293 M HA -0.031 4.449 4.480 0.001 0.000 0.264 293 M C 2.263 178.572 176.300 0.014 0.000 1.063 293 M CA 1.191 56.487 55.300 -0.006 0.000 1.119 293 M CB -1.175 31.416 32.600 -0.015 0.000 1.377 293 M HN 0.254 nan 8.290 nan 0.000 0.415 294 Q N 0.383 120.190 119.800 0.012 0.000 2.079 294 Q HA -0.069 4.271 4.340 0.001 0.000 0.200 294 Q C 2.089 178.099 176.000 0.016 0.000 0.974 294 Q CA 1.650 57.462 55.803 0.015 0.000 0.840 294 Q CB -0.174 28.574 28.738 0.016 0.000 0.898 294 Q HN 0.443 nan 8.270 nan 0.000 0.430 295 S N 0.580 116.299 115.700 0.032 0.000 2.368 295 S HA -0.117 4.353 4.470 0.001 0.000 0.225 295 S C 1.935 176.500 174.600 -0.059 0.000 1.030 295 S CA 1.134 59.370 58.200 0.059 0.000 0.999 295 S CB -0.333 62.953 63.200 0.143 0.000 0.844 295 S HN 0.549 nan 8.310 nan 0.000 0.459 296 A N 1.413 124.152 122.820 -0.135 0.000 1.933 296 A HA -0.183 4.138 4.320 0.001 0.000 0.218 296 A C 1.850 179.336 177.584 -0.164 0.000 1.175 296 A CA 1.997 53.797 52.037 -0.394 0.000 0.628 296 A CB -0.862 18.110 19.000 -0.047 0.000 0.814 296 A HN 0.559 nan 8.150 nan 0.000 0.444 297 D N -0.361 120.013 120.400 -0.043 0.000 2.097 297 D HA -0.048 4.592 4.640 0.001 0.000 0.195 297 D C 2.048 178.329 176.300 -0.032 0.000 0.989 297 D CA 1.683 55.671 54.000 -0.020 0.000 0.827 297 D CB -0.190 40.613 40.800 0.005 0.000 0.966 297 D HN 0.340 nan 8.370 nan 0.000 0.456 298 A N -0.520 122.293 122.820 -0.012 0.000 1.892 298 A HA -0.216 4.104 4.320 0.001 0.000 0.218 298 A C 2.260 179.855 177.584 0.018 0.000 1.188 298 A CA 1.815 53.860 52.037 0.013 0.000 0.631 298 A CB -1.455 17.570 19.000 0.042 0.000 0.822 298 A HN 0.594 nan 8.150 nan 0.000 0.447 299 Y N 0.366 120.590 120.300 -0.127 0.000 2.163 299 Y HA -0.119 4.431 4.550 0.000 0.000 0.288 299 Y C 1.958 177.818 175.900 -0.068 0.000 1.136 299 Y CA 1.853 59.889 58.100 -0.107 0.000 1.147 299 Y CB -0.335 37.968 38.460 -0.260 0.000 0.987 299 Y HN 0.193 nan 8.280 nan 0.000 0.509 300 L N 0.357 121.477 121.223 -0.172 0.000 2.131 300 L HA -0.239 4.101 4.340 0.001 0.000 0.210 300 L C 2.057 178.849 176.870 -0.129 0.000 1.092 300 L CA 1.105 55.827 54.840 -0.196 0.000 0.759 300 L CB -0.666 41.330 42.059 -0.106 0.000 0.903 300 L HN 0.302 nan 8.230 nan 0.000 0.435 301 N N 0.183 118.831 118.700 -0.087 0.000 2.104 301 N HA -0.206 4.534 4.740 0.001 0.000 0.190 301 N C 1.886 177.403 175.510 0.012 0.000 1.024 301 N CA 1.183 54.228 53.050 -0.008 0.000 0.853 301 N CB -0.256 38.227 38.487 -0.008 0.000 1.008 301 N HN 0.264 nan 8.380 nan 0.000 0.424 302 R N 0.651 121.111 120.500 -0.066 0.000 2.070 302 R HA -0.047 4.293 4.340 0.001 0.000 0.233 302 R C 1.934 178.202 176.300 -0.052 0.000 1.137 302 R CA 1.140 57.202 56.100 -0.065 0.000 0.945 302 R CB -0.257 29.981 30.300 -0.102 0.000 0.845 302 R HN 0.011 nan 8.270 nan 0.000 0.430 303 V N 0.714 120.532 119.914 -0.160 0.000 2.343 303 V HA -0.248 3.873 4.120 0.001 0.000 0.247 303 V C 2.065 178.228 176.094 0.115 0.000 1.051 303 V CA 1.798 64.072 62.300 -0.043 0.000 1.036 303 V CB -0.660 31.060 31.823 -0.171 0.000 0.654 303 V HN 0.292 nan 8.190 nan 0.000 0.451 304 F N 1.464 121.374 119.950 -0.066 0.000 2.186 304 F HA -0.139 4.388 4.527 0.001 0.000 0.299 304 F C 2.131 177.910 175.800 -0.035 0.000 1.090 304 F CA 1.898 59.868 58.000 -0.050 0.000 1.307 304 F CB -0.421 38.527 39.000 -0.087 0.000 1.019 304 F HN 0.274 nan 8.300 nan 0.000 0.489 305 D N -1.202 119.207 120.400 0.016 0.000 2.123 305 D HA -0.302 4.338 4.640 0.001 0.000 0.196 305 D C 2.189 178.449 176.300 -0.066 0.000 0.992 305 D CA 1.542 55.506 54.000 -0.061 0.000 0.833 305 D CB -0.446 40.361 40.800 0.012 0.000 0.954 305 D HN 0.387 nan 8.370 nan 0.000 0.455 306 Y N 0.569 120.794 120.300 -0.125 0.000 2.145 306 Y HA -0.121 4.429 4.550 0.001 0.000 0.286 306 Y C 1.941 177.746 175.900 -0.159 0.000 1.145 306 Y CA 1.253 59.286 58.100 -0.112 0.000 1.148 306 Y CB -0.902 37.518 38.460 -0.065 0.000 0.981 306 Y HN 0.115 nan 8.280 nan 0.000 0.507 307 L N -0.160 120.863 121.223 -0.334 0.000 1.990 307 L HA -0.265 4.075 4.340 0.001 0.000 0.213 307 L C 2.163 178.729 176.870 -0.507 0.000 1.072 307 L CA 2.162 56.717 54.840 -0.475 0.000 0.755 307 L CB -0.849 41.001 42.059 -0.349 0.000 0.889 307 L HN 0.227 nan 8.230 nan 0.000 0.432 308 M N -1.341 117.924 119.600 -0.558 0.000 2.117 308 M HA -0.138 4.342 4.480 0.001 0.000 0.262 308 M C 2.317 178.429 176.300 -0.314 0.000 1.065 308 M CA 1.470 56.479 55.300 -0.485 0.000 1.114 308 M CB -1.296 30.985 32.600 -0.532 0.000 1.361 308 M HN 0.182 nan 8.290 nan 0.000 0.408 309 V N -0.039 119.726 119.914 -0.247 0.000 2.332 309 V HA -0.263 3.858 4.120 0.001 0.000 0.248 309 V C 2.477 178.448 176.094 -0.205 0.000 1.055 309 V CA 1.979 64.179 62.300 -0.166 0.000 1.038 309 V CB -0.927 30.851 31.823 -0.076 0.000 0.651 309 V HN 0.437 nan 8.190 nan 0.000 0.450 310 S N -0.136 115.379 115.700 -0.309 0.000 2.368 310 S HA -0.072 4.398 4.470 0.001 0.000 0.224 310 S C 1.912 176.328 174.600 -0.307 0.000 1.029 310 S CA 1.364 59.364 58.200 -0.334 0.000 0.988 310 S CB -0.328 62.557 63.200 -0.526 0.000 0.838 310 S HN 0.455 nan 8.310 nan 0.000 0.462 311 L N 1.036 122.044 121.223 -0.358 0.000 2.046 311 L HA -0.106 4.234 4.340 0.001 0.000 0.208 311 L C 2.700 179.410 176.870 -0.266 0.000 1.077 311 L CA 1.261 55.877 54.840 -0.372 0.000 0.747 311 L CB -0.454 41.339 42.059 -0.443 0.000 0.896 311 L HN 0.241 nan 8.230 nan 0.000 0.432 312 R N -0.199 120.172 120.500 -0.215 0.000 2.120 312 R HA -0.140 4.200 4.340 0.001 0.000 0.234 312 R C 2.494 178.718 176.300 -0.127 0.000 1.123 312 R CA 1.611 57.621 56.100 -0.149 0.000 0.975 312 R CB -0.348 29.878 30.300 -0.125 0.000 0.866 312 R HN 0.461 nan 8.270 nan 0.000 0.446 313 S N 0.313 115.931 115.700 -0.138 0.000 2.489 313 S HA 0.030 4.500 4.470 0.001 0.000 0.228 313 S C 0.892 175.428 174.600 -0.106 0.000 0.995 313 S CA 0.076 58.211 58.200 -0.108 0.000 0.934 313 S CB -0.058 63.082 63.200 -0.100 0.000 0.771 313 S HN 0.099 nan 8.310 nan 0.000 0.522 314 L N 3.104 124.246 121.223 -0.136 0.000 2.361 314 L HA 0.279 4.619 4.340 0.001 0.000 0.278 314 L C -1.064 175.751 176.870 -0.092 0.000 1.113 314 L CA -1.743 53.024 54.840 -0.121 0.000 0.849 314 L CB 0.824 42.783 42.059 -0.166 0.000 1.155 314 L HN 0.100 nan 8.230 nan 0.000 0.452 315 P HA -0.146 nan 4.420 nan 0.000 0.218 315 P C 1.272 178.547 177.300 -0.042 0.000 1.149 315 P CA 1.302 64.371 63.100 -0.052 0.000 0.817 315 P CB 0.381 32.058 31.700 -0.039 0.000 0.785 316 L N -1.185 120.025 121.223 -0.020 0.000 2.567 316 L HA 0.110 4.451 4.340 0.001 0.000 0.225 316 L C 0.820 177.714 176.870 0.042 0.000 1.119 316 L CA -0.102 54.755 54.840 0.029 0.000 0.871 316 L CB 0.014 42.112 42.059 0.065 0.000 1.036 316 L HN -0.263 nan 8.230 nan 0.000 0.459 317 V N 1.702 121.606 119.914 -0.016 0.000 2.488 317 V HA 0.126 4.247 4.120 0.001 0.000 0.277 317 V C 0.247 176.343 176.094 0.002 0.000 1.046 317 V CA 0.304 62.592 62.300 -0.021 0.000 0.986 317 V CB 1.188 32.892 31.823 -0.200 0.000 0.989 317 V HN 0.204 nan 8.190 nan 0.000 0.475 318 M N 6.581 126.231 119.600 0.083 0.000 2.043 318 M HA 0.466 4.947 4.480 0.001 0.000 0.322 318 M C -0.800 175.566 176.300 0.111 0.000 0.962 318 M CA -0.284 55.058 55.300 0.070 0.000 0.927 318 M CB 1.264 33.910 32.600 0.076 0.000 1.466 318 M HN 0.380 nan 8.290 nan 0.000 0.412 319 L N 4.301 125.562 121.223 0.064 0.000 2.416 319 L HA 0.331 4.671 4.340 0.001 0.000 0.272 319 L C -0.237 176.679 176.870 0.075 0.000 1.161 319 L CA -0.105 54.787 54.840 0.085 0.000 0.845 319 L CB 0.408 42.480 42.059 0.023 0.000 1.119 319 L HN 0.627 nan 8.230 nan 0.000 0.464 320 I N 3.082 123.707 120.570 0.091 0.000 2.304 320 I HA 0.474 4.644 4.170 0.001 0.000 0.291 320 I C 0.846 176.995 176.117 0.054 0.000 1.018 320 I CA 0.037 61.372 61.300 0.059 0.000 1.260 320 I CB 0.913 38.940 38.000 0.046 0.000 1.390 320 I HN 0.815 nan 8.210 nan 0.000 0.475 321 G N 5.390 114.214 108.800 0.041 0.000 2.814 321 G HA2 -0.208 3.753 3.960 0.001 0.000 0.677 321 G HA3 -0.208 3.753 3.960 0.001 0.000 0.677 321 G C -0.510 174.415 174.900 0.042 0.000 1.429 321 G CA -0.756 44.367 45.100 0.039 0.000 0.868 321 G HN 0.766 nan 8.290 nan 0.000 0.553 322 R N 0.801 121.326 120.500 0.040 0.000 2.810 322 R HA 0.424 4.764 4.340 0.001 0.000 0.280 322 R C -2.833 173.494 176.300 0.045 0.000 1.517 322 R CA -1.271 54.854 56.100 0.041 0.000 1.063 322 R CB 1.937 32.255 30.300 0.029 0.000 1.275 322 R HN 0.488 nan 8.270 nan 0.000 0.464 323 P HA 0.181 nan 4.420 nan 0.000 0.284 323 P C 0.059 177.388 177.300 0.047 0.000 1.258 323 P CA -0.480 62.649 63.100 0.048 0.000 0.824 323 P CB 1.107 32.836 31.700 0.047 0.000 1.038 324 E N 1.391 121.616 120.200 0.042 0.000 2.072 324 E HA 0.049 4.399 4.350 0.001 0.000 0.191 324 E C 0.275 176.896 176.600 0.035 0.000 0.985 324 E CA 0.416 56.840 56.400 0.039 0.000 0.801 324 E CB -0.134 29.590 29.700 0.039 0.000 0.750 324 E HN 0.419 nan 8.360 nan 0.000 0.452 325 A N 0.345 123.182 122.820 0.029 0.000 2.401 325 A HA 0.545 4.865 4.320 0.001 0.000 0.310 325 A C -1.013 176.572 177.584 0.001 0.000 1.075 325 A CA -0.661 51.386 52.037 0.017 0.000 0.746 325 A CB 1.848 20.857 19.000 0.015 0.000 1.277 325 A HN 0.158 nan 8.150 nan 0.000 0.425 326 Q N 0.387 120.166 119.800 -0.035 0.000 2.416 326 Q HA 0.533 4.873 4.340 0.001 0.000 0.281 326 Q C -0.978 174.884 176.000 -0.229 0.000 1.067 326 Q CA -0.681 55.059 55.803 -0.105 0.000 0.809 326 Q CB 2.562 31.253 28.738 -0.078 0.000 1.418 326 Q HN 0.852 nan 8.270 nan 0.000 0.411 327 I N -1.168 119.216 120.570 -0.309 0.000 2.797 327 I HA 0.518 4.688 4.170 0.001 0.000 0.310 327 I C -2.140 173.433 176.117 -0.907 0.000 0.990 327 I CA -2.471 58.485 61.300 -0.572 0.000 1.228 327 I CB 1.116 38.839 38.000 -0.462 0.000 1.406 327 I HN 0.381 nan 8.210 nan 0.000 0.534 328 P HA 0.209 nan 4.420 nan 0.000 0.225 328 P C -0.783 176.014 177.300 -0.838 0.000 1.813 328 P CA 0.046 62.185 63.100 -1.600 0.000 1.013 328 P CB 0.084 31.183 31.700 -1.002 0.000 1.961 329 V N 1.997 121.584 119.914 -0.546 0.000 2.686 329 V HA 0.489 4.609 4.120 0.001 0.000 0.306 329 V C -0.289 175.899 176.094 0.157 0.000 1.065 329 V CA -0.909 61.362 62.300 -0.050 0.000 0.894 329 V CB 2.963 34.759 31.823 -0.045 0.000 1.004 329 V HN 0.109 nan 8.190 nan 0.000 0.424 330 V N 3.632 123.706 119.914 0.267 0.000 2.888 330 V HA 0.778 4.898 4.120 0.001 0.000 0.309 330 V C -0.586 175.640 176.094 0.220 0.000 1.114 330 V CA 0.066 62.532 62.300 0.276 0.000 0.940 330 V CB 2.864 34.875 31.823 0.314 0.000 1.021 330 V HN 0.913 nan 8.190 nan 0.000 0.426 331 S N 5.552 121.352 115.700 0.167 0.000 2.503 331 S HA 0.943 5.413 4.470 0.001 0.000 0.301 331 S C -1.061 173.627 174.600 0.147 0.000 1.087 331 S CA -0.396 57.842 58.200 0.063 0.000 1.042 331 S CB 1.454 64.655 63.200 0.002 0.000 1.043 331 S HN 0.905 nan 8.310 nan 0.000 0.489 332 F N -0.365 119.585 119.950 -0.001 0.000 2.686 332 F HA 0.938 5.466 4.527 0.001 0.000 0.311 332 F C -0.706 175.090 175.800 -0.007 0.000 1.128 332 F CA -1.414 56.579 58.000 -0.012 0.000 0.946 332 F CB 0.731 39.712 39.000 -0.033 0.000 1.336 332 F HN 0.626 nan 8.300 nan 0.000 0.457 333 A N 0.994 123.920 122.820 0.176 0.000 2.384 333 A HA 0.857 5.178 4.320 0.001 0.000 0.312 333 A C -1.680 176.036 177.584 0.220 0.000 1.113 333 A CA -0.984 51.115 52.037 0.104 0.000 0.779 333 A CB 1.754 20.784 19.000 0.050 0.000 1.307 333 A HN 0.853 nan 8.150 nan 0.000 0.436 334 V N 2.470 122.482 119.914 0.164 0.000 2.417 334 V HA 0.239 4.360 4.120 0.001 0.000 0.291 334 V C 0.385 176.551 176.094 0.120 0.000 1.024 334 V CA -0.591 61.804 62.300 0.159 0.000 0.861 334 V CB 1.335 33.247 31.823 0.148 0.000 0.985 334 V HN 0.972 nan 8.190 nan 0.000 0.436 335 H N 5.800 124.891 119.070 0.035 0.000 3.157 335 H HA 0.010 4.566 4.556 0.001 0.000 0.299 335 H C 0.834 176.170 175.328 0.014 0.000 0.961 335 H CA 1.047 57.106 56.048 0.018 0.000 1.428 335 H CB 0.200 29.968 29.762 0.009 0.000 1.459 335 H HN 0.773 nan 8.280 nan 0.000 0.566 336 K N 2.181 122.321 120.400 -0.433 0.000 3.130 336 K HA -0.169 4.151 4.320 0.001 0.000 0.282 336 K C -0.897 175.623 176.600 -0.134 0.000 1.145 336 K CA 0.782 56.873 56.287 -0.327 0.000 0.831 336 K CB -1.022 31.224 32.500 -0.423 0.000 1.226 336 K HN 0.269 nan 8.250 nan 0.000 0.478 337 V N 0.804 120.677 119.914 -0.069 0.000 2.380 337 V HA 0.231 4.351 4.120 0.001 0.000 0.286 337 V C -2.188 173.896 176.094 -0.017 0.000 1.015 337 V CA -1.677 60.607 62.300 -0.026 0.000 0.834 337 V CB 1.515 33.341 31.823 0.006 0.000 1.009 337 V HN -0.068 nan 8.190 nan 0.000 0.428 338 P HA 0.195 nan 4.420 nan 0.000 0.269 338 P C 0.922 178.206 177.300 -0.026 0.000 1.209 338 P CA 0.002 63.086 63.100 -0.027 0.000 0.776 338 P CB 1.009 32.692 31.700 -0.027 0.000 0.876 339 A N 3.263 126.057 122.820 -0.043 0.000 1.927 339 A HA -0.263 4.057 4.320 0.001 0.000 0.220 339 A C 1.791 179.348 177.584 -0.044 0.000 1.185 339 A CA 2.316 54.313 52.037 -0.066 0.000 0.639 339 A CB -1.413 17.531 19.000 -0.094 0.000 0.820 339 A HN 0.692 nan 8.150 nan 0.000 0.451 340 D N -0.321 120.061 120.400 -0.031 0.000 2.144 340 D HA -0.237 4.403 4.640 0.001 0.000 0.199 340 D C 1.959 178.256 176.300 -0.006 0.000 0.984 340 D CA 1.563 55.552 54.000 -0.018 0.000 0.834 340 D CB -0.636 40.155 40.800 -0.016 0.000 0.955 340 D HN 0.613 nan 8.370 nan 0.000 0.465 341 R N 0.762 121.259 120.500 -0.005 0.000 2.090 341 R HA -0.046 4.294 4.340 0.001 0.000 0.228 341 R C 2.180 178.490 176.300 0.017 0.000 1.110 341 R CA 0.892 56.995 56.100 0.005 0.000 0.973 341 R CB -0.148 30.152 30.300 0.001 0.000 0.869 341 R HN 0.070 nan 8.270 nan 0.000 0.440 342 V N 0.546 120.470 119.914 0.016 0.000 2.295 342 V HA -0.230 3.891 4.120 0.001 0.000 0.246 342 V C 2.387 178.507 176.094 0.043 0.000 1.049 342 V CA 1.718 64.041 62.300 0.038 0.000 1.024 342 V CB -0.290 31.560 31.823 0.045 0.000 0.648 342 V HN 0.200 nan 8.190 nan 0.000 0.447 343 V N -0.326 119.601 119.914 0.022 0.000 2.407 343 V HA -0.295 3.826 4.120 0.001 0.000 0.248 343 V C 2.454 178.579 176.094 0.053 0.000 1.055 343 V CA 2.224 64.544 62.300 0.034 0.000 1.049 343 V CB -0.656 31.172 31.823 0.008 0.000 0.662 343 V HN 0.564 nan 8.190 nan 0.000 0.455 344 Q N 0.724 120.548 119.800 0.041 0.000 2.046 344 Q HA -0.218 4.122 4.340 0.001 0.000 0.200 344 Q C 2.236 178.272 176.000 0.060 0.000 0.975 344 Q CA 2.042 57.874 55.803 0.050 0.000 0.836 344 Q CB -0.411 28.347 28.738 0.034 0.000 0.896 344 Q HN 0.520 nan 8.270 nan 0.000 0.428 345 R N -0.095 120.435 120.500 0.050 0.000 2.091 345 R HA -0.090 4.251 4.340 0.001 0.000 0.238 345 R C 2.044 178.382 176.300 0.065 0.000 1.136 345 R CA 1.764 57.893 56.100 0.049 0.000 0.959 345 R CB -0.779 29.545 30.300 0.041 0.000 0.856 345 R HN 0.440 nan 8.270 nan 0.000 0.437 346 L N -0.173 121.098 121.223 0.081 0.000 2.046 346 L HA -0.075 4.265 4.340 0.001 0.000 0.208 346 L C 2.569 179.522 176.870 0.138 0.000 1.077 346 L CA 1.354 56.257 54.840 0.105 0.000 0.747 346 L CB -0.730 41.401 42.059 0.120 0.000 0.896 346 L HN 0.379 nan 8.230 nan 0.000 0.432 347 A N -0.020 122.895 122.820 0.158 0.000 1.908 347 A HA -0.247 4.073 4.320 0.001 0.000 0.218 347 A C 1.879 179.579 177.584 0.195 0.000 1.181 347 A CA 2.036 54.224 52.037 0.252 0.000 0.627 347 A CB -0.562 18.564 19.000 0.211 0.000 0.818 347 A HN 0.375 nan 8.150 nan 0.000 0.445 348 D N 0.203 120.667 120.400 0.107 0.000 2.221 348 D HA -0.108 4.532 4.640 0.001 0.000 0.204 348 D C 1.063 177.366 176.300 0.004 0.000 0.982 348 D CA 0.961 54.991 54.000 0.050 0.000 0.857 348 D CB -0.369 40.454 40.800 0.038 0.000 0.934 348 D HN 0.494 nan 8.370 nan 0.000 0.475 349 N N -0.246 118.466 118.700 0.020 0.000 2.268 349 N HA 0.109 4.849 4.740 0.001 0.000 0.204 349 N C 0.792 176.280 175.510 -0.036 0.000 1.124 349 N CA 0.411 53.458 53.050 -0.006 0.000 0.838 349 N CB 1.174 39.676 38.487 0.024 0.000 0.994 349 N HN 0.121 nan 8.380 nan 0.000 0.489 350 G N 1.548 110.300 108.800 -0.081 0.000 2.198 350 G HA2 -0.266 3.694 3.960 0.001 0.000 0.257 350 G HA3 -0.266 3.694 3.960 0.001 0.000 0.257 350 G C -0.106 174.863 174.900 0.115 0.000 1.042 350 G CA 0.024 44.992 45.100 -0.221 0.000 0.791 350 G HN 0.321 nan 8.290 nan 0.000 0.502 351 I N 0.015 120.722 120.570 0.228 0.000 2.433 351 I HA 0.493 4.663 4.170 0.001 0.000 0.292 351 I C 0.351 176.639 176.117 0.285 0.000 1.001 351 I CA -1.007 60.456 61.300 0.270 0.000 1.119 351 I CB 1.755 39.897 38.000 0.237 0.000 1.289 351 I HN -0.057 nan 8.210 nan 0.000 0.438 352 L N 6.365 127.733 121.223 0.241 0.000 2.265 352 L HA 0.794 5.135 4.340 0.001 0.000 0.289 352 L C 0.076 177.065 176.870 0.199 0.000 1.033 352 L CA -0.163 54.760 54.840 0.139 0.000 0.814 352 L CB 1.277 43.310 42.059 -0.044 0.000 1.203 352 L HN 0.723 nan 8.230 nan 0.000 0.423 353 A N 4.349 127.261 122.820 0.153 0.000 2.483 353 A HA 0.886 5.206 4.320 0.001 0.000 0.286 353 A C -0.929 176.698 177.584 0.072 0.000 1.207 353 A CA -0.616 51.509 52.037 0.147 0.000 0.764 353 A CB 1.347 20.426 19.000 0.132 0.000 1.341 353 A HN 0.569 nan 8.150 nan 0.000 0.428 354 I N 0.728 121.323 120.570 0.042 0.000 2.378 354 I HA 0.499 4.669 4.170 0.001 0.000 0.291 354 I C 0.536 176.630 176.117 -0.039 0.000 0.992 354 I CA -0.416 60.889 61.300 0.009 0.000 1.154 354 I CB 1.951 39.965 38.000 0.024 0.000 1.315 354 I HN 0.659 nan 8.210 nan 0.000 0.448 355 A N 5.912 128.711 122.820 -0.036 0.000 2.539 355 A HA 0.176 4.496 4.320 0.001 0.000 0.306 355 A C 0.174 177.731 177.584 -0.045 0.000 1.392 355 A CA -0.341 51.663 52.037 -0.054 0.000 1.060 355 A CB -0.348 18.629 19.000 -0.039 0.000 1.134 355 A HN 0.747 nan 8.150 nan 0.000 0.542 356 N N 2.508 121.172 118.700 -0.059 0.000 2.438 356 N HA -0.006 4.734 4.740 0.001 0.000 0.267 356 N C 1.259 176.749 175.510 -0.033 0.000 1.222 356 N CA 1.020 54.046 53.050 -0.040 0.000 0.930 356 N CB 0.962 39.420 38.487 -0.048 0.000 1.083 356 N HN 0.712 nan 8.380 nan 0.000 0.476 357 T N 0.488 115.029 114.554 -0.022 0.000 2.914 357 T HA 0.146 4.496 4.350 0.001 0.000 0.240 357 T C 1.160 175.850 174.700 -0.016 0.000 1.025 357 T CA 0.309 62.397 62.100 -0.020 0.000 1.198 357 T CB -0.323 68.534 68.868 -0.018 0.000 0.892 357 T HN 0.374 nan 8.240 nan 0.000 0.417 358 G N 1.807 110.602 108.800 -0.009 0.000 4.873 358 G HA2 0.464 4.425 3.960 0.001 0.000 0.314 358 G HA3 0.464 4.425 3.960 0.001 0.000 0.314 358 G C -0.335 174.568 174.900 0.005 0.000 1.426 358 G CA -0.375 44.723 45.100 -0.004 0.000 1.136 358 G HN 0.571 nan 8.290 nan 0.000 0.589 359 S N 0.146 115.847 115.700 0.002 0.000 2.457 359 S HA 0.334 4.805 4.470 0.001 0.000 0.289 359 S C 1.505 176.106 174.600 0.001 0.000 1.163 359 S CA -0.695 57.512 58.200 0.011 0.000 1.078 359 S CB 1.274 64.478 63.200 0.008 0.000 0.987 359 S HN 0.494 nan 8.310 nan 0.000 0.482 360 R N 2.993 123.501 120.500 0.013 0.000 2.092 360 R HA -0.037 4.303 4.340 0.001 0.000 0.231 360 R C 2.073 178.351 176.300 -0.038 0.000 1.119 360 R CA 1.275 57.363 56.100 -0.021 0.000 0.970 360 R CB -0.640 29.656 30.300 -0.008 0.000 0.864 360 R HN 0.605 nan 8.270 nan 0.000 0.440 361 V N 1.451 121.361 119.914 -0.007 0.000 2.407 361 V HA -0.190 3.931 4.120 0.001 0.000 0.248 361 V C 1.974 178.057 176.094 -0.019 0.000 1.055 361 V CA 1.600 63.892 62.300 -0.012 0.000 1.049 361 V CB -0.168 31.662 31.823 0.012 0.000 0.662 361 V HN 0.288 nan 8.190 nan 0.000 0.455 362 L N -0.468 120.746 121.223 -0.015 0.000 2.093 362 L HA -0.120 4.221 4.340 0.001 0.000 0.208 362 L C 2.376 179.229 176.870 -0.028 0.000 1.085 362 L CA 1.722 56.551 54.840 -0.019 0.000 0.755 362 L CB -0.797 41.250 42.059 -0.019 0.000 0.904 362 L HN 0.326 nan 8.230 nan 0.000 0.435 363 D N 0.050 120.428 120.400 -0.037 0.000 2.103 363 D HA -0.193 4.447 4.640 0.001 0.000 0.190 363 D C 2.293 178.560 176.300 -0.054 0.000 0.997 363 D CA 1.283 55.254 54.000 -0.048 0.000 0.833 363 D CB -0.481 40.282 40.800 -0.061 0.000 0.961 363 D HN 0.026 nan 8.370 nan 0.000 0.447 364 V N 0.741 120.615 119.914 -0.067 0.000 2.392 364 V HA -0.208 3.912 4.120 0.001 0.000 0.249 364 V C 2.302 178.368 176.094 -0.045 0.000 1.059 364 V CA 1.205 63.462 62.300 -0.071 0.000 1.051 364 V CB -0.412 31.358 31.823 -0.089 0.000 0.658 364 V HN 0.251 nan 8.190 nan 0.000 0.455 365 L N 0.132 121.336 121.223 -0.032 0.000 2.599 365 L HA 0.229 4.569 4.340 0.001 0.000 0.230 365 L C 1.705 178.566 176.870 -0.015 0.000 1.141 365 L CA 0.803 55.632 54.840 -0.018 0.000 0.877 365 L CB -0.685 41.369 42.059 -0.008 0.000 1.009 365 L HN 0.561 nan 8.230 nan 0.000 0.447 366 G N -0.418 108.369 108.800 -0.022 0.000 2.143 366 G HA2 -0.258 3.702 3.960 0.001 0.000 0.248 366 G HA3 -0.258 3.702 3.960 0.001 0.000 0.248 366 G C 0.680 175.572 174.900 -0.013 0.000 0.991 366 G CA 0.379 45.468 45.100 -0.018 0.000 0.689 366 G HN 0.162 nan 8.290 nan 0.000 0.522 367 V N 0.409 120.314 119.914 -0.015 0.000 2.446 367 V HA -0.025 4.095 4.120 0.001 0.000 0.244 367 V C 2.294 178.376 176.094 -0.020 0.000 1.039 367 V CA 1.896 64.187 62.300 -0.014 0.000 1.045 367 V CB -0.306 31.508 31.823 -0.015 0.000 0.681 367 V HN 0.535 nan 8.190 nan 0.000 0.459 368 N N 0.494 119.179 118.700 -0.025 0.000 2.571 368 N HA -0.104 4.636 4.740 0.001 0.000 0.189 368 N C 0.661 176.156 175.510 -0.024 0.000 1.154 368 N CA 0.713 53.747 53.050 -0.027 0.000 0.907 368 N CB 0.075 38.545 38.487 -0.028 0.000 0.977 368 N HN 0.517 nan 8.380 nan 0.000 0.449 369 D N -0.464 119.924 120.400 -0.021 0.000 2.392 369 D HA -0.025 4.616 4.640 0.001 0.000 0.206 369 D C 2.100 178.391 176.300 -0.016 0.000 1.046 369 D CA 0.286 54.275 54.000 -0.019 0.000 0.865 369 D CB 0.455 41.243 40.800 -0.019 0.000 0.969 369 D HN 0.120 nan 8.370 nan 0.000 0.509 370 V N -1.577 118.329 119.914 -0.013 0.000 2.278 370 V HA 0.381 4.501 4.120 0.001 0.000 0.238 370 V C 1.665 177.746 176.094 -0.021 0.000 1.039 370 V CA 1.667 63.959 62.300 -0.013 0.000 1.017 370 V CB -0.686 31.136 31.823 -0.001 0.000 0.657 370 V HN 0.122 nan 8.190 nan 0.000 0.462 371 G N -1.851 106.935 108.800 -0.023 0.000 4.490 371 G HA2 0.571 4.531 3.960 0.001 0.000 0.233 371 G HA3 0.571 4.531 3.960 0.001 0.000 0.233 371 G C 0.519 175.398 174.900 -0.034 0.000 1.027 371 G CA 0.607 45.690 45.100 -0.028 0.000 0.829 371 G HN 1.612 nan 8.290 nan 0.000 0.343 372 G N -0.627 108.151 108.800 -0.036 0.000 2.631 372 G HA2 0.452 4.412 3.960 0.001 0.000 0.504 372 G HA3 0.452 4.412 3.960 0.001 0.000 0.504 372 G C -0.145 174.714 174.900 -0.068 0.000 1.306 372 G CA 0.031 45.102 45.100 -0.048 0.000 0.897 372 G HN 1.730 nan 8.290 nan 0.000 0.520 373 A N -1.359 121.405 122.820 -0.094 0.000 2.384 373 A HA 0.905 5.225 4.320 0.001 0.000 0.312 373 A C -0.180 177.260 177.584 -0.240 0.000 1.113 373 A CA -0.048 51.894 52.037 -0.158 0.000 0.779 373 A CB 2.049 20.976 19.000 -0.122 0.000 1.307 373 A HN 1.946 nan 8.150 nan 0.000 0.436 374 V N 1.271 120.903 119.914 -0.470 0.000 2.427 374 V HA 0.546 4.666 4.120 0.001 0.000 0.286 374 V C 0.081 175.848 176.094 -0.546 0.000 1.034 374 V CA -0.226 61.731 62.300 -0.571 0.000 0.893 374 V CB 1.444 32.711 31.823 -0.927 0.000 0.982 374 V HN 0.910 nan 8.190 nan 0.000 0.452 375 T N 4.527 118.938 114.554 -0.239 0.000 2.797 375 T HA 0.666 5.016 4.350 0.001 0.000 0.279 375 T C -0.359 174.364 174.700 0.039 0.000 0.991 375 T CA -0.461 61.594 62.100 -0.076 0.000 0.979 375 T CB 1.583 70.444 68.868 -0.013 0.000 0.943 375 T HN 0.734 nan 8.240 nan 0.000 0.444 376 V N 0.174 120.177 119.914 0.148 0.000 2.914 376 V HA 1.087 5.207 4.120 0.001 0.000 0.314 376 V C -0.130 176.127 176.094 0.271 0.000 1.084 376 V CA -0.822 61.627 62.300 0.248 0.000 0.963 376 V CB 1.814 33.786 31.823 0.249 0.000 1.025 376 V HN 1.058 nan 8.190 nan 0.000 0.432 377 G N 2.475 111.467 108.800 0.321 0.000 2.706 377 G HA2 0.636 4.596 3.960 0.001 0.000 0.297 377 G HA3 0.636 4.596 3.960 0.001 0.000 0.297 377 G C -1.307 173.760 174.900 0.279 0.000 1.403 377 G CA -1.041 44.210 45.100 0.252 0.000 0.954 377 G HN 0.895 nan 8.290 nan 0.000 0.500 378 L N 0.747 122.080 121.223 0.183 0.000 2.418 378 L HA 0.675 5.015 4.340 0.001 0.000 0.265 378 L C 0.847 177.726 176.870 0.015 0.000 1.143 378 L CA -0.607 54.298 54.840 0.108 0.000 0.809 378 L CB 1.442 43.551 42.059 0.084 0.000 1.124 378 L HN 0.677 nan 8.230 nan 0.000 0.456 379 A N 0.261 122.946 122.820 -0.224 0.000 2.347 379 A HA 0.445 4.765 4.320 0.001 0.000 0.301 379 A C 0.331 177.586 177.584 -0.548 0.000 1.163 379 A CA -0.492 51.222 52.037 -0.538 0.000 0.860 379 A CB 0.428 18.791 19.000 -1.062 0.000 1.367 379 A HN 0.847 nan 8.150 nan 0.000 0.461 380 H N -0.817 118.058 119.070 -0.324 0.000 2.521 380 H HA -0.083 4.473 4.556 0.000 0.000 0.286 380 H C 0.755 176.154 175.328 0.117 0.000 1.034 380 H CA 2.512 58.572 56.048 0.021 0.000 1.278 380 H CB -0.292 29.581 29.762 0.183 0.000 1.386 380 H HN 0.727 nan 8.280 nan 0.000 0.567 381 Y N -1.625 118.829 120.300 0.257 0.000 2.457 381 Y HA 0.427 4.977 4.550 0.000 0.000 0.263 381 Y C 0.395 176.387 175.900 0.153 0.000 1.164 381 Y CA -0.907 57.291 58.100 0.164 0.000 1.274 381 Y CB -0.261 38.194 38.460 -0.008 0.000 1.097 381 Y HN -0.148 nan 8.280 nan 0.000 0.523 382 S N 1.551 117.315 115.700 0.108 0.000 2.564 382 S HA 0.399 4.869 4.470 0.001 0.000 0.278 382 S C 0.543 175.326 174.600 0.306 0.000 1.333 382 S CA -0.032 58.252 58.200 0.140 0.000 1.048 382 S CB 0.746 63.960 63.200 0.023 0.000 0.900 382 S HN 0.593 nan 8.310 nan 0.000 0.505 383 T N -0.150 114.560 114.554 0.260 0.000 2.907 383 T HA 0.440 4.790 4.350 0.001 0.000 0.290 383 T C 1.272 176.135 174.700 0.271 0.000 1.066 383 T CA -1.027 61.256 62.100 0.306 0.000 1.012 383 T CB 0.769 69.789 68.868 0.254 0.000 1.184 383 T HN 0.290 nan 8.240 nan 0.000 0.522 384 M N 0.811 120.551 119.600 0.233 0.000 2.149 384 M HA -0.025 4.455 4.480 0.001 0.000 0.261 384 M C 2.683 179.148 176.300 0.276 0.000 1.064 384 M CA 2.065 57.502 55.300 0.228 0.000 1.102 384 M CB -1.932 30.683 32.600 0.025 0.000 1.369 384 M HN 0.936 nan 8.290 nan 0.000 0.408 385 A N 0.219 123.161 122.820 0.204 0.000 1.933 385 A HA -0.171 4.150 4.320 0.001 0.000 0.218 385 A C 2.080 179.800 177.584 0.227 0.000 1.175 385 A CA 1.675 53.822 52.037 0.185 0.000 0.628 385 A CB -0.663 18.419 19.000 0.137 0.000 0.814 385 A HN 0.575 nan 8.150 nan 0.000 0.444 386 E N -0.451 119.904 120.200 0.259 0.000 2.072 386 E HA -0.111 4.239 4.350 0.001 0.000 0.191 386 E C 1.991 178.898 176.600 0.512 0.000 0.985 386 E CA 1.199 57.797 56.400 0.329 0.000 0.801 386 E CB -0.237 29.588 29.700 0.209 0.000 0.750 386 E HN 0.405 nan 8.360 nan 0.000 0.452 387 V N 1.605 121.817 119.914 0.497 0.000 2.295 387 V HA -0.282 3.838 4.120 0.001 0.000 0.246 387 V C 2.127 178.274 176.094 0.088 0.000 1.049 387 V CA 2.192 64.662 62.300 0.283 0.000 1.024 387 V CB -0.546 31.404 31.823 0.211 0.000 0.648 387 V HN 0.306 nan 8.190 nan 0.000 0.447 388 D N -0.335 120.202 120.400 0.228 0.000 2.116 388 D HA -0.260 4.380 4.640 0.001 0.000 0.193 388 D C 2.195 178.547 176.300 0.087 0.000 0.998 388 D CA 1.920 56.017 54.000 0.162 0.000 0.836 388 D CB -0.121 40.819 40.800 0.234 0.000 0.951 388 D HN 0.553 nan 8.370 nan 0.000 0.449 389 Q N -0.793 119.085 119.800 0.131 0.000 2.050 389 Q HA -0.132 4.208 4.340 0.001 0.000 0.202 389 Q C 2.276 178.317 176.000 0.068 0.000 0.980 389 Q CA 1.190 57.058 55.803 0.108 0.000 0.840 389 Q CB -0.264 28.567 28.738 0.154 0.000 0.898 389 Q HN 0.352 nan 8.270 nan 0.000 0.424 390 L N 0.321 121.581 121.223 0.061 0.000 2.012 390 L HA -0.175 4.165 4.340 0.001 0.000 0.210 390 L C 2.125 178.912 176.870 -0.138 0.000 1.073 390 L CA 1.585 56.373 54.840 -0.087 0.000 0.748 390 L CB -0.605 41.191 42.059 -0.438 0.000 0.891 390 L HN 0.002 nan 8.230 nan 0.000 0.431 391 V N 0.035 119.846 119.914 -0.172 0.000 2.343 391 V HA -0.297 3.823 4.120 0.001 0.000 0.247 391 V C 2.764 178.789 176.094 -0.114 0.000 1.051 391 V CA 2.231 64.415 62.300 -0.194 0.000 1.036 391 V CB -0.697 30.981 31.823 -0.242 0.000 0.654 391 V HN 0.474 nan 8.190 nan 0.000 0.451 392 R N -0.054 120.410 120.500 -0.059 0.000 2.096 392 R HA -0.096 4.244 4.340 0.001 0.000 0.235 392 R C 2.431 178.717 176.300 -0.023 0.000 1.127 392 R CA 1.416 57.498 56.100 -0.029 0.000 0.968 392 R CB -0.565 29.734 30.300 -0.001 0.000 0.861 392 R HN 0.544 nan 8.270 nan 0.000 0.440 393 A N 1.207 124.017 122.820 -0.016 0.000 1.902 393 A HA -0.115 4.205 4.320 0.001 0.000 0.217 393 A C 2.162 179.741 177.584 -0.009 0.000 1.181 393 A CA 1.095 53.132 52.037 -0.001 0.000 0.623 393 A CB -0.515 18.497 19.000 0.021 0.000 0.818 393 A HN 0.170 nan 8.150 nan 0.000 0.443 394 L N -0.737 120.464 121.223 -0.038 0.000 2.083 394 L HA -0.196 4.144 4.340 0.001 0.000 0.209 394 L C 3.048 179.892 176.870 -0.043 0.000 1.083 394 L CA 0.994 55.808 54.840 -0.043 0.000 0.752 394 L CB -0.525 41.460 42.059 -0.125 0.000 0.899 394 L HN 0.443 nan 8.230 nan 0.000 0.433 395 A N -0.010 122.776 122.820 -0.057 0.000 2.019 395 A HA -0.201 4.119 4.320 0.001 0.000 0.219 395 A C 2.434 180.005 177.584 -0.022 0.000 1.164 395 A CA 1.790 53.800 52.037 -0.045 0.000 0.644 395 A CB -0.583 18.388 19.000 -0.048 0.000 0.805 395 A HN 0.528 nan 8.150 nan 0.000 0.449 396 S N -1.032 114.661 115.700 -0.013 0.000 2.561 396 S HA 0.232 4.702 4.470 0.001 0.000 0.225 396 S C 0.545 175.147 174.600 0.004 0.000 0.977 396 S CA -0.140 58.058 58.200 -0.003 0.000 0.926 396 S CB -0.581 62.620 63.200 0.001 0.000 0.769 396 S HN 0.371 nan 8.310 nan 0.000 0.533 397 L N 1.266 122.493 121.223 0.006 0.000 2.399 397 L HA 0.628 4.968 4.340 0.001 0.000 0.265 397 L C 1.195 178.075 176.870 0.016 0.000 1.089 397 L CA -0.565 54.284 54.840 0.015 0.000 0.802 397 L CB 0.863 42.938 42.059 0.027 0.000 1.180 397 L HN 0.292 nan 8.230 nan 0.000 0.454 398 G N 0.000 108.810 108.800 0.016 0.000 5.446 398 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 398 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 398 G CA 0.000 45.111 45.100 0.019 0.000 0.502 398 G HN 0.000 nan 8.290 nan 0.000 0.925