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 1upm_1_K DATA FIRST_RESID 9 DATA SEQUENCE ASVEFKAGVK DYKLTYYTPE YETLDTDILA AFRVSPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTNLD RYKGRCYHIE PVAGEENQYI CYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPVAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTXDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE DMMKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT TLSHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE MHFRVLAKAL RLSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDYTEKDR DATA SEQUENCE SRGIYFTQSW VSTPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV QARNEGRDLA REGNTIIREA TKWSPELAAA DATA SEQUENCE CEVWKEIKFE FPAMDTV 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.596 177.584 0.021 0.000 1.274 9 A CA 0.000 52.045 52.037 0.014 0.000 0.836 9 A CB 0.000 19.007 19.000 0.011 0.000 0.831 10 S N -0.447 115.270 115.700 0.028 0.000 3.459 10 S HA 0.033 4.503 4.470 -0.000 0.000 0.622 10 S C -0.106 174.518 174.600 0.040 0.000 0.790 10 S CA 0.194 58.418 58.200 0.040 0.000 1.329 10 S CB -1.757 61.469 63.200 0.044 0.000 1.315 10 S HN 2.285 nan 8.310 nan 0.000 0.683 11 V N 2.319 122.262 119.914 0.048 0.000 2.713 11 V HA 0.825 4.945 4.120 -0.000 0.000 0.307 11 V C 0.862 177.000 176.094 0.073 0.000 1.052 11 V CA 0.469 62.797 62.300 0.047 0.000 0.967 11 V CB 1.301 33.145 31.823 0.037 0.000 1.019 11 V HN 1.741 nan 8.190 nan 0.000 0.459 12 E N 4.180 124.417 120.200 0.063 0.000 2.467 12 E HA 0.085 4.435 4.350 -0.000 0.000 0.264 12 E C -0.366 176.322 176.600 0.147 0.000 1.020 12 E CA 0.019 56.471 56.400 0.086 0.000 0.945 12 E CB 0.058 nan 29.700 nan 0.000 0.942 12 E HN 0.919 nan 8.360 nan 0.000 0.449 13 F N 1.898 121.869 119.950 0.035 0.000 2.504 13 F HA 0.436 4.963 4.527 -0.000 0.000 0.369 13 F C 0.254 176.071 175.800 0.028 0.000 1.082 13 F CA -0.563 57.468 58.000 0.053 0.000 1.216 13 F CB 1.150 40.205 39.000 0.091 0.000 1.108 13 F HN 0.316 nan 8.300 nan 0.000 0.554 14 K N 6.083 126.235 120.400 -0.413 0.000 2.449 14 K HA 0.621 4.941 4.320 -0.000 0.000 0.257 14 K C -0.977 175.180 176.600 -0.739 0.000 0.989 14 K CA -0.498 55.463 56.287 -0.544 0.000 0.916 14 K CB 0.830 33.202 32.500 -0.213 0.000 1.136 14 K HN 0.697 nan 8.250 nan 0.000 0.439 15 A N 2.823 125.044 122.820 -0.998 0.000 2.488 15 A HA 0.593 4.913 4.320 -0.000 0.000 0.249 15 A C 0.525 177.967 177.584 -0.236 0.000 1.083 15 A CA 0.960 52.668 52.037 -0.547 0.000 0.768 15 A CB -0.425 18.366 19.000 -0.349 0.000 1.017 15 A HN 1.036 nan 8.150 nan 0.000 0.496 16 G N -0.487 108.230 108.800 -0.138 0.000 2.369 16 G HA2 0.481 4.441 3.960 -0.000 0.000 0.307 16 G HA3 0.481 4.441 3.960 -0.000 0.000 0.307 16 G C -0.622 174.219 174.900 -0.098 0.000 1.327 16 G CA -0.124 44.919 45.100 -0.095 0.000 0.963 16 G HN 2.143 nan 8.290 nan 0.000 0.590 17 V N -0.243 119.637 119.914 -0.057 0.000 2.716 17 V HA 0.981 5.101 4.120 -0.000 0.000 0.304 17 V C 0.031 176.090 176.094 -0.059 0.000 1.053 17 V CA 0.515 62.778 62.300 -0.062 0.000 0.984 17 V CB 1.366 33.208 31.823 0.032 0.000 1.021 17 V HN 1.468 nan 8.190 nan 0.000 0.467 18 K N 2.128 122.473 120.400 -0.092 0.000 2.548 18 K HA 0.508 4.828 4.320 -0.000 0.000 0.282 18 K C -1.563 174.961 176.600 -0.126 0.000 1.006 18 K CA -0.938 55.303 56.287 -0.077 0.000 0.892 18 K CB 1.531 34.001 32.500 -0.051 0.000 1.499 18 K HN 0.514 nan 8.250 nan 0.000 0.433 19 D N 0.959 121.312 120.400 -0.078 0.000 2.414 19 D HA 0.063 4.703 4.640 -0.000 0.000 0.242 19 D C 0.699 176.980 176.300 -0.032 0.000 1.129 19 D CA 0.092 54.046 54.000 -0.077 0.000 0.885 19 D CB 0.259 41.055 40.800 -0.007 0.000 1.198 19 D HN 0.430 nan 8.370 nan 0.000 0.437 20 Y N 1.186 121.527 120.300 0.069 0.000 2.207 20 Y HA -0.229 4.321 4.550 0.000 0.000 0.287 20 Y C 2.320 178.346 175.900 0.209 0.000 1.156 20 Y CA 1.299 59.488 58.100 0.149 0.000 1.182 20 Y CB -0.369 38.111 38.460 0.032 0.000 0.979 20 Y HN 0.472 nan 8.280 nan 0.000 0.521 21 K N 0.371 120.929 120.400 0.264 0.000 2.280 21 K HA -0.124 4.196 4.320 -0.000 0.000 0.202 21 K C 1.669 178.385 176.600 0.193 0.000 1.047 21 K CA 1.469 57.891 56.287 0.225 0.000 0.942 21 K CB -0.703 31.869 32.500 0.121 0.000 0.739 21 K HN 0.329 nan 8.250 nan 0.000 0.457 22 L N 1.310 122.613 121.223 0.134 0.000 2.127 22 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 22 L C 1.802 178.694 176.870 0.037 0.000 1.089 22 L CA 1.615 56.501 54.840 0.077 0.000 0.757 22 L CB -0.513 41.573 42.059 0.046 0.000 0.899 22 L HN 0.359 nan 8.230 nan 0.000 0.434 23 T N -3.167 111.406 114.554 0.033 0.000 3.018 23 T HA 0.038 4.388 4.350 -0.000 0.000 0.246 23 T C 0.930 175.416 174.700 -0.356 0.000 1.026 23 T CA 0.360 62.322 62.100 -0.231 0.000 1.081 23 T CB 0.121 68.741 68.868 -0.414 0.000 0.970 23 T HN 0.155 nan 8.240 nan 0.000 0.475 24 Y N -0.244 120.117 120.300 0.102 0.000 2.481 24 Y HA 0.434 4.984 4.550 -0.000 0.000 0.247 24 Y C -0.099 175.874 175.900 0.122 0.000 1.151 24 Y CA -1.326 56.821 58.100 0.079 0.000 1.238 24 Y CB 0.477 38.985 38.460 0.080 0.000 1.179 24 Y HN 0.167 nan 8.280 nan 0.000 0.524 25 Y N 0.495 120.856 120.300 0.102 0.000 2.331 25 Y HA 0.573 5.123 4.550 -0.000 0.000 0.338 25 Y C -0.229 175.701 175.900 0.049 0.000 0.992 25 Y CA -1.037 57.101 58.100 0.063 0.000 1.121 25 Y CB 1.589 40.074 38.460 0.042 0.000 1.184 25 Y HN -0.151 nan 8.280 nan 0.000 0.469 26 T N 9.341 123.645 114.554 -0.417 0.000 3.686 26 T HA 0.188 4.538 4.350 -0.000 0.000 0.248 26 T C -2.308 172.271 174.700 -0.203 0.000 1.090 26 T CA -0.706 61.247 62.100 -0.245 0.000 1.659 26 T CB 0.512 69.322 68.868 -0.096 0.000 0.780 26 T HN 0.518 nan 8.240 nan 0.000 0.632 27 P HA 0.070 nan 4.420 nan 0.000 0.233 27 P C 0.896 178.199 177.300 0.005 0.000 1.167 27 P CA 0.649 63.629 63.100 -0.200 0.000 0.770 27 P CB 0.481 31.997 31.700 -0.306 0.000 0.837 28 E N -1.310 118.888 120.200 -0.004 0.000 2.479 28 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 28 E C 0.287 176.924 176.600 0.063 0.000 1.049 28 E CA -0.427 55.990 56.400 0.028 0.000 0.870 28 E CB -0.478 29.223 29.700 0.003 0.000 0.944 28 E HN 0.352 nan 8.360 nan 0.000 0.492 29 Y N 2.708 122.995 120.300 -0.022 0.000 2.544 29 Y HA -0.010 4.540 4.550 0.000 0.000 0.330 29 Y C 0.168 176.016 175.900 -0.086 0.000 1.136 29 Y CA -0.010 58.063 58.100 -0.046 0.000 1.417 29 Y CB 0.374 38.815 38.460 -0.032 0.000 1.229 29 Y HN -0.176 nan 8.280 nan 0.000 0.532 30 E N 3.646 123.453 120.200 -0.655 0.000 2.227 30 E HA 0.182 4.532 4.350 -0.000 0.000 0.282 30 E C -0.272 175.709 176.600 -1.032 0.000 1.015 30 E CA -0.597 55.426 56.400 -0.628 0.000 0.823 30 E CB 0.763 30.233 29.700 -0.382 0.000 1.081 30 E HN 0.709 nan 8.360 nan 0.000 0.396 31 T N 0.822 114.974 114.554 -0.670 0.000 2.919 31 T HA 0.281 4.631 4.350 -0.000 0.000 0.302 31 T C 0.365 174.871 174.700 -0.323 0.000 1.031 31 T CA -0.659 61.140 62.100 -0.503 0.000 1.127 31 T CB 0.359 69.008 68.868 -0.364 0.000 0.952 31 T HN 0.240 nan 8.240 nan 0.000 0.540 32 L N 2.328 123.445 121.223 -0.176 0.000 2.418 32 L HA 0.285 4.625 4.340 -0.000 0.000 0.265 32 L C 1.070 177.906 176.870 -0.057 0.000 1.143 32 L CA -0.852 53.933 54.840 -0.092 0.000 0.809 32 L CB 0.424 42.474 42.059 -0.015 0.000 1.124 32 L HN 0.665 nan 8.230 nan 0.000 0.456 33 D N -0.222 120.149 120.400 -0.047 0.000 2.371 33 D HA -0.088 4.552 4.640 -0.000 0.000 0.221 33 D C 1.718 178.010 176.300 -0.013 0.000 0.986 33 D CA 1.017 54.998 54.000 -0.032 0.000 0.899 33 D CB 0.103 40.888 40.800 -0.025 0.000 0.902 33 D HN 0.711 nan 8.370 nan 0.000 0.530 34 T N -2.774 111.784 114.554 0.006 0.000 3.086 34 T HA 0.045 4.395 4.350 -0.000 0.000 0.250 34 T C 0.526 175.251 174.700 0.042 0.000 1.074 34 T CA -0.495 61.623 62.100 0.030 0.000 0.988 34 T CB 0.412 69.309 68.868 0.048 0.000 0.988 34 T HN -0.223 nan 8.240 nan 0.000 0.530 35 D N 1.703 122.126 120.400 0.039 0.000 2.372 35 D HA 0.345 4.985 4.640 -0.000 0.000 0.243 35 D C -0.188 176.124 176.300 0.020 0.000 1.121 35 D CA -0.530 53.516 54.000 0.077 0.000 0.898 35 D CB 0.760 41.617 40.800 0.095 0.000 1.202 35 D HN 0.148 nan 8.370 nan 0.000 0.428 36 I N 2.410 123.024 120.570 0.073 0.000 2.371 36 I HA 0.052 4.222 4.170 -0.000 0.000 0.290 36 I C -0.206 175.981 176.117 0.117 0.000 1.028 36 I CA -0.381 60.896 61.300 -0.038 0.000 1.345 36 I CB 0.427 38.270 38.000 -0.261 0.000 1.407 36 I HN 0.057 nan 8.210 nan 0.000 0.501 37 L N 6.437 127.604 121.223 -0.092 0.000 2.295 37 L HA 0.739 5.079 4.340 -0.000 0.000 0.285 37 L C 0.207 177.028 176.870 -0.082 0.000 1.035 37 L CA -0.715 54.082 54.840 -0.073 0.000 0.806 37 L CB 1.063 42.850 42.059 -0.453 0.000 1.214 37 L HN 0.701 nan 8.230 nan 0.000 0.426 38 A N 2.806 125.772 122.820 0.244 0.000 2.331 38 A HA 0.857 5.177 4.320 -0.000 0.000 0.320 38 A C -0.357 177.341 177.584 0.191 0.000 1.138 38 A CA -0.487 51.639 52.037 0.148 0.000 0.790 38 A CB 1.191 20.234 19.000 0.072 0.000 1.206 38 A HN 0.766 nan 8.150 nan 0.000 0.470 39 A N 2.419 125.266 122.820 0.045 0.000 2.341 39 A HA 0.658 4.978 4.320 -0.000 0.000 0.326 39 A C -0.955 176.355 177.584 -0.456 0.000 1.402 39 A CA -0.241 51.581 52.037 -0.357 0.000 0.957 39 A CB -0.539 18.106 19.000 -0.593 0.000 1.151 39 A HN 0.594 nan 8.150 nan 0.000 0.533 40 F N 1.274 121.076 119.950 -0.247 0.000 2.408 40 F HA 0.412 4.939 4.527 0.000 0.000 0.344 40 F C 1.078 176.762 175.800 -0.194 0.000 1.112 40 F CA -0.336 57.548 58.000 -0.194 0.000 1.096 40 F CB 1.459 40.366 39.000 -0.156 0.000 1.129 40 F HN 0.578 nan 8.300 nan 0.000 0.486 41 R N 3.643 124.161 120.500 0.030 0.000 2.272 41 R HA 0.428 4.768 4.340 -0.000 0.000 0.334 41 R C -1.506 174.809 176.300 0.025 0.000 1.117 41 R CA -0.165 55.948 56.100 0.021 0.000 0.966 41 R CB 0.041 30.351 30.300 0.016 0.000 1.049 41 R HN 0.514 nan 8.270 nan 0.000 0.477 42 V N 3.388 123.321 119.914 0.033 0.000 2.394 42 V HA 0.248 4.368 4.120 -0.000 0.000 0.282 42 V C -0.126 175.997 176.094 0.047 0.000 1.031 42 V CA -0.554 61.747 62.300 0.002 0.000 0.881 42 V CB 1.832 33.644 31.823 -0.018 0.000 0.982 42 V HN 0.679 nan 8.190 nan 0.000 0.451 43 S N 6.863 122.576 115.700 0.023 0.000 2.577 43 S HA 0.445 4.915 4.470 -0.000 0.000 0.294 43 S C -2.541 172.077 174.600 0.030 0.000 1.161 43 S CA -1.013 57.207 58.200 0.033 0.000 1.143 43 S CB 1.090 64.306 63.200 0.028 0.000 0.991 43 S HN 0.578 nan 8.310 nan 0.000 0.475 44 P HA 0.157 nan 4.420 nan 0.000 0.274 44 P C -0.123 177.185 177.300 0.014 0.000 1.237 44 P CA -0.549 62.560 63.100 0.014 0.000 0.793 44 P CB 0.491 32.203 31.700 0.020 0.000 0.977 45 Q N 1.242 121.040 119.800 -0.004 0.000 2.417 45 Q HA 0.210 4.550 4.340 -0.000 0.000 0.241 45 Q C -2.025 173.975 176.000 0.001 0.000 1.008 45 Q CA -1.483 54.320 55.803 -0.000 0.000 0.901 45 Q CB -0.787 27.947 28.738 -0.006 0.000 1.259 45 Q HN 0.310 nan 8.270 nan 0.000 0.489 46 P HA 0.010 nan 4.420 nan 0.000 0.264 46 P C 0.387 177.685 177.300 -0.003 0.000 1.193 46 P CA 0.991 64.094 63.100 0.004 0.000 0.763 46 P CB 0.263 31.965 31.700 0.003 0.000 0.810 47 G N 1.484 110.283 108.800 -0.003 0.000 2.176 47 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.253 47 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.253 47 G C -0.083 174.803 174.900 -0.023 0.000 0.979 47 G CA -0.230 44.863 45.100 -0.011 0.000 0.641 47 G HN 0.514 nan 8.290 nan 0.000 0.530 48 V N 3.016 122.913 119.914 -0.028 0.000 2.328 48 V HA 0.486 4.606 4.120 -0.000 0.000 0.278 48 V C -1.403 174.651 176.094 -0.066 0.000 1.021 48 V CA -1.567 60.701 62.300 -0.053 0.000 0.838 48 V CB 1.476 33.258 31.823 -0.068 0.000 0.999 48 V HN 0.208 nan 8.190 nan 0.000 0.447 49 P HA 0.210 nan 4.420 nan 0.000 0.272 49 P C -2.093 175.068 177.300 -0.230 0.000 1.223 49 P CA -1.576 61.442 63.100 -0.138 0.000 0.784 49 P CB 0.331 31.951 31.700 -0.134 0.000 0.923 50 P HA -0.173 nan 4.420 nan 0.000 0.216 50 P C 1.064 178.063 177.300 -0.502 0.000 1.150 50 P CA 1.571 64.318 63.100 -0.588 0.000 0.837 50 P CB 0.094 31.050 31.700 -1.240 0.000 0.786 51 E N 0.081 119.963 120.200 -0.530 0.000 2.077 51 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 51 E C 2.093 178.444 176.600 -0.416 0.000 0.989 51 E CA 1.285 57.259 56.400 -0.711 0.000 0.800 51 E CB -0.790 28.406 29.700 -0.840 0.000 0.746 51 E HN 0.301 nan 8.360 nan 0.000 0.452 52 E N 0.254 120.298 120.200 -0.261 0.000 2.158 52 E HA -0.000 4.350 4.350 -0.000 0.000 0.191 52 E C 1.803 178.304 176.600 -0.165 0.000 0.982 52 E CA 1.038 57.359 56.400 -0.133 0.000 0.823 52 E CB -0.220 29.432 29.700 -0.080 0.000 0.766 52 E HN 0.223 nan 8.360 nan 0.000 0.468 53 A N 0.232 122.920 122.820 -0.219 0.000 1.877 53 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 53 A C 2.451 179.876 177.584 -0.265 0.000 1.186 53 A CA 1.732 53.622 52.037 -0.245 0.000 0.620 53 A CB -1.350 17.528 19.000 -0.202 0.000 0.822 53 A HN 0.405 nan 8.150 nan 0.000 0.443 54 G N -0.576 108.078 108.800 -0.242 0.000 2.418 54 G HA2 0.015 3.975 3.960 -0.000 0.000 0.217 54 G HA3 0.015 3.975 3.960 -0.000 0.000 0.217 54 G C 1.754 176.566 174.900 -0.147 0.000 1.158 54 G CA 1.494 46.478 45.100 -0.192 0.000 0.771 54 G HN 0.800 nan 8.290 nan 0.000 0.545 55 A N 1.231 123.987 122.820 -0.106 0.000 1.902 55 A HA 0.238 4.558 4.320 -0.000 0.000 0.217 55 A C 2.834 180.279 177.584 -0.232 0.000 1.181 55 A CA 2.338 54.375 52.037 0.000 0.000 0.623 55 A CB -0.858 18.223 19.000 0.135 0.000 0.818 55 A HN 0.794 nan 8.150 nan 0.000 0.443 56 A N -0.477 122.089 122.820 -0.423 0.000 1.865 56 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 56 A C 2.250 179.514 177.584 -0.533 0.000 1.191 56 A CA 1.945 53.446 52.037 -0.893 0.000 0.623 56 A CB -1.128 17.352 19.000 -0.868 0.000 0.826 56 A HN 0.430 nan 8.150 nan 0.000 0.444 57 V N -0.078 119.620 119.914 -0.360 0.000 2.255 57 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 57 V C 3.076 179.030 176.094 -0.233 0.000 1.051 57 V CA 2.219 64.333 62.300 -0.311 0.000 1.018 57 V CB -1.351 30.142 31.823 -0.550 0.000 0.641 57 V HN 0.642 nan 8.190 nan 0.000 0.445 58 A N -0.239 122.461 122.820 -0.201 0.000 1.902 58 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 58 A C 2.408 179.890 177.584 -0.171 0.000 1.181 58 A CA 2.146 54.123 52.037 -0.101 0.000 0.623 58 A CB -0.775 18.212 19.000 -0.022 0.000 0.818 58 A HN 0.594 nan 8.150 nan 0.000 0.443 59 A N -0.376 122.139 122.820 -0.509 0.000 1.898 59 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 59 A C 1.950 179.298 177.584 -0.393 0.000 1.181 59 A CA 2.041 53.498 52.037 -0.968 0.000 0.620 59 A CB -0.349 17.864 19.000 -1.312 0.000 0.819 59 A HN 0.526 nan 8.150 nan 0.000 0.442 60 E N 0.259 120.308 120.200 -0.251 0.000 2.474 60 E HA -0.004 4.346 4.350 -0.000 0.000 0.194 60 E C 1.396 177.972 176.600 -0.040 0.000 1.041 60 E CA 0.955 57.297 56.400 -0.096 0.000 0.874 60 E CB -0.163 29.517 29.700 -0.033 0.000 0.914 60 E HN 0.561 nan 8.360 nan 0.000 0.498 61 S N -1.421 114.295 115.700 0.026 0.000 2.572 61 S HA 0.197 4.667 4.470 -0.000 0.000 0.228 61 S C 1.107 175.821 174.600 0.190 0.000 0.963 61 S CA 0.240 58.520 58.200 0.133 0.000 0.939 61 S CB 0.162 63.523 63.200 0.268 0.000 0.804 61 S HN 0.223 nan 8.310 nan 0.000 0.480 62 S N 1.169 116.942 115.700 0.121 0.000 4.948 62 S HA 0.143 4.613 4.470 -0.000 0.000 0.154 62 S C 1.235 175.878 174.600 0.072 0.000 1.026 62 S CA 0.579 58.864 58.200 0.141 0.000 1.308 62 S CB -0.209 63.145 63.200 0.256 0.000 1.915 62 S HN 0.550 nan 8.310 nan 0.000 0.680 63 T N -0.840 113.773 114.554 0.099 0.000 3.009 63 T HA 0.503 4.853 4.350 -0.000 0.000 0.267 63 T C 0.732 175.492 174.700 0.100 0.000 0.942 63 T CA 0.380 62.543 62.100 0.105 0.000 0.883 63 T CB 0.320 69.305 68.868 0.195 0.000 1.192 63 T HN 0.781 nan 8.240 nan 0.000 0.524 64 G N 0.291 109.111 108.800 0.033 0.000 2.417 64 G HA2 0.569 4.529 3.960 -0.000 0.000 0.334 64 G HA3 0.569 4.529 3.960 -0.000 0.000 0.334 64 G C -0.745 174.213 174.900 0.097 0.000 1.150 64 G CA -0.272 44.871 45.100 0.072 0.000 0.923 64 G HN 0.220 nan 8.290 nan 0.000 0.485 65 T N -0.710 113.924 114.554 0.135 0.000 2.644 65 T HA 0.449 4.799 4.350 -0.000 0.000 0.253 65 T C 0.631 175.474 174.700 0.239 0.000 0.910 65 T CA -0.432 61.787 62.100 0.198 0.000 1.066 65 T CB 0.685 69.627 68.868 0.124 0.000 1.484 65 T HN 0.669 nan 8.240 nan 0.000 0.560 66 W N 0.465 121.858 121.300 0.154 0.000 2.942 66 W HA 0.348 5.008 4.660 -0.000 0.000 0.263 66 W C 0.414 176.924 176.519 -0.016 0.000 1.296 66 W CA 0.166 57.570 57.345 0.099 0.000 1.504 66 W CB -1.023 28.514 29.460 0.128 0.000 1.096 66 W HN 0.528 nan 8.180 nan 0.000 0.639 67 T N 0.942 115.009 114.554 -0.812 0.000 2.864 67 T HA 0.415 4.765 4.350 -0.000 0.000 0.289 67 T C -0.480 173.999 174.700 -0.368 0.000 1.082 67 T CA -0.208 61.469 62.100 -0.704 0.000 1.009 67 T CB 1.948 70.047 68.868 -1.282 0.000 1.234 67 T HN -0.224 nan 8.240 nan 0.000 0.526 68 T N 2.174 116.621 114.554 -0.178 0.000 2.817 68 T HA 0.526 4.876 4.350 -0.000 0.000 0.293 68 T C -0.061 174.719 174.700 0.134 0.000 0.964 68 T CA -0.472 61.636 62.100 0.013 0.000 1.085 68 T CB 0.506 69.424 68.868 0.083 0.000 0.921 68 T HN 0.677 nan 8.240 nan 0.000 0.502 69 V N 3.158 123.107 119.914 0.059 0.000 2.513 69 V HA 0.461 4.581 4.120 -0.000 0.000 0.299 69 V C 1.231 177.188 176.094 -0.229 0.000 1.035 69 V CA -1.137 61.114 62.300 -0.082 0.000 0.889 69 V CB 1.211 32.905 31.823 -0.214 0.000 0.988 69 V HN 1.061 nan 8.190 nan 0.000 0.440 70 W N 3.104 123.952 121.300 -0.753 0.000 2.392 70 W HA -0.132 4.528 4.660 0.000 0.000 0.279 70 W C 1.432 177.718 176.519 -0.389 0.000 1.225 70 W CA 1.630 58.389 57.345 -0.976 0.000 1.233 70 W CB -1.607 26.993 29.460 -1.433 0.000 1.122 70 W HN 0.764 nan 8.180 nan 0.000 0.561 71 T N -1.432 112.492 114.554 -1.051 0.000 3.098 71 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 71 T C 1.087 175.569 174.700 -0.364 0.000 1.145 71 T CA 1.408 62.962 62.100 -0.910 0.000 1.092 71 T CB -0.556 67.705 68.868 -1.011 0.000 0.908 71 T HN -0.067 nan 8.240 nan 0.000 0.526 72 D N 2.130 122.398 120.400 -0.221 0.000 2.182 72 D HA -0.038 4.602 4.640 -0.000 0.000 0.201 72 D C 2.239 178.524 176.300 -0.025 0.000 0.986 72 D CA 1.391 55.343 54.000 -0.080 0.000 0.847 72 D CB -0.779 40.011 40.800 -0.016 0.000 0.942 72 D HN 0.627 nan 8.370 nan 0.000 0.467 73 G N -0.125 108.677 108.800 0.004 0.000 2.744 73 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.211 73 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.211 73 G C 1.551 176.481 174.900 0.049 0.000 1.143 73 G CA -0.116 45.014 45.100 0.051 0.000 0.788 73 G HN 0.257 nan 8.290 nan 0.000 0.534 74 L N 0.719 121.952 121.223 0.017 0.000 2.418 74 L HA 0.129 4.469 4.340 -0.000 0.000 0.218 74 L C 1.421 178.302 176.870 0.019 0.000 1.125 74 L CA 0.535 55.387 54.840 0.021 0.000 0.835 74 L CB -0.353 41.696 42.059 -0.017 0.000 0.953 74 L HN 0.149 nan 8.230 nan 0.000 0.454 75 T N -2.640 111.927 114.554 0.021 0.000 2.768 75 T HA 0.216 4.566 4.350 -0.000 0.000 0.268 75 T C -0.211 174.542 174.700 0.088 0.000 0.969 75 T CA -0.635 61.509 62.100 0.074 0.000 1.008 75 T CB 1.159 70.093 68.868 0.109 0.000 1.371 75 T HN -0.165 nan 8.240 nan 0.000 0.587 76 N N 1.063 119.847 118.700 0.140 0.000 2.699 76 N HA 0.193 4.933 4.740 -0.000 0.000 0.232 76 N C 0.503 176.071 175.510 0.096 0.000 1.027 76 N CA -0.544 52.546 53.050 0.067 0.000 0.920 76 N CB 0.528 39.007 38.487 -0.013 0.000 1.148 76 N HN 0.501 nan 8.380 nan 0.000 0.509 77 L N 2.677 123.945 121.223 0.076 0.000 2.043 77 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 77 L C 1.216 178.092 176.870 0.010 0.000 1.075 77 L CA 1.864 56.749 54.840 0.074 0.000 0.752 77 L CB -0.143 41.929 42.059 0.022 0.000 0.891 77 L HN 0.436 nan 8.230 nan 0.000 0.432 78 D N -0.910 119.463 120.400 -0.045 0.000 2.219 78 D HA -0.156 4.484 4.640 -0.000 0.000 0.205 78 D C 2.211 178.446 176.300 -0.108 0.000 0.970 78 D CA 1.091 55.041 54.000 -0.083 0.000 0.851 78 D CB -0.107 40.649 40.800 -0.073 0.000 0.943 78 D HN 0.531 nan 8.370 nan 0.000 0.488 79 R N -0.490 119.905 120.500 -0.174 0.000 2.200 79 R HA -0.063 4.277 4.340 -0.000 0.000 0.208 79 R C 1.126 177.211 176.300 -0.358 0.000 1.033 79 R CA 0.836 56.757 56.100 -0.298 0.000 1.000 79 R CB -0.335 29.713 30.300 -0.420 0.000 0.906 79 R HN 0.190 nan 8.270 nan 0.000 0.462 80 Y N 2.178 122.471 120.300 -0.012 0.000 2.507 80 Y HA 0.164 4.714 4.550 0.000 0.000 0.263 80 Y C 0.436 176.344 175.900 0.013 0.000 1.093 80 Y CA -0.365 57.733 58.100 -0.003 0.000 1.285 80 Y CB 0.165 38.620 38.460 -0.008 0.000 1.115 80 Y HN 0.016 nan 8.280 nan 0.000 0.533 81 K N 1.341 121.819 120.400 0.130 0.000 2.485 81 K HA 0.244 4.564 4.320 -0.000 0.000 0.277 81 K C 0.599 177.258 176.600 0.098 0.000 0.990 81 K CA 0.259 56.636 56.287 0.150 0.000 0.994 81 K CB 0.524 33.033 32.500 0.017 0.000 0.906 81 K HN 0.149 nan 8.250 nan 0.000 0.488 82 G N 2.188 111.086 108.800 0.163 0.000 2.572 82 G HA2 0.301 4.261 3.960 -0.000 0.000 0.261 82 G HA3 0.301 4.261 3.960 -0.000 0.000 0.261 82 G C -0.705 174.197 174.900 0.003 0.000 1.197 82 G CA -0.991 44.093 45.100 -0.027 0.000 0.870 82 G HN 0.833 nan 8.290 nan 0.000 0.548 83 R N -0.369 120.057 120.500 -0.123 0.000 2.535 83 R HA 0.353 4.693 4.340 -0.000 0.000 0.274 83 R C -1.603 174.741 176.300 0.072 0.000 1.090 83 R CA -0.752 55.331 56.100 -0.030 0.000 0.930 83 R CB 0.450 30.626 30.300 -0.206 0.000 1.223 83 R HN 0.532 nan 8.270 nan 0.000 0.441 84 C N 5.275 124.659 119.300 0.140 0.000 2.464 84 C HA 0.364 4.824 4.460 -0.000 0.000 0.370 84 C C 0.743 175.870 174.990 0.229 0.000 1.267 84 C CA -0.357 58.769 59.018 0.181 0.000 1.781 84 C CB -1.388 26.476 27.740 0.207 0.000 2.431 84 C HN 0.938 nan 8.230 nan 0.000 0.556 85 Y N 2.840 123.276 120.300 0.226 0.000 2.445 85 Y HA 0.493 5.043 4.550 -0.000 0.000 0.247 85 Y C 0.623 176.696 175.900 0.288 0.000 1.129 85 Y CA -0.264 57.954 58.100 0.196 0.000 1.251 85 Y CB -0.353 38.269 38.460 0.269 0.000 1.176 85 Y HN 0.789 nan 8.280 nan 0.000 0.522 86 H N 0.362 119.351 119.070 -0.135 0.000 3.123 86 H HA 0.533 5.090 4.556 0.000 0.000 0.346 86 H C -2.040 173.378 175.328 0.151 0.000 1.138 86 H CA -0.848 55.200 56.048 0.000 0.000 1.273 86 H CB 2.058 31.730 29.762 -0.150 0.000 1.926 86 H HN 0.131 nan 8.280 nan 0.000 0.524 87 I N 4.005 124.316 120.570 -0.431 0.000 2.478 87 I HA 0.176 4.346 4.170 -0.000 0.000 0.287 87 I C -0.613 175.307 176.117 -0.328 0.000 1.042 87 I CA -0.410 60.753 61.300 -0.229 0.000 1.067 87 I CB 2.167 40.070 38.000 -0.161 0.000 1.233 87 I HN 0.497 nan 8.210 nan 0.000 0.431 88 E N 9.188 129.361 120.200 -0.045 0.000 2.199 88 E HA 0.510 4.860 4.350 -0.000 0.000 0.265 88 E C -2.734 173.979 176.600 0.188 0.000 0.882 88 E CA -2.060 54.389 56.400 0.081 0.000 0.759 88 E CB 2.464 32.297 29.700 0.222 0.000 1.148 88 E HN 0.156 nan 8.360 nan 0.000 0.412 89 P HA 0.046 nan 4.420 nan 0.000 0.275 89 P C -0.439 176.867 177.300 0.011 0.000 1.228 89 P CA -0.395 62.775 63.100 0.116 0.000 0.786 89 P CB 1.040 32.799 31.700 0.097 0.000 0.927 90 V N 2.401 122.257 119.914 -0.096 0.000 2.432 90 V HA 0.342 4.462 4.120 -0.000 0.000 0.275 90 V C 0.864 176.923 176.094 -0.057 0.000 1.043 90 V CA -0.703 61.565 62.300 -0.055 0.000 0.925 90 V CB 0.648 32.432 31.823 -0.066 0.000 0.985 90 V HN 0.683 nan 8.190 nan 0.000 0.466 91 A N 4.153 126.960 122.820 -0.022 0.000 2.491 91 A HA 0.535 4.855 4.320 -0.000 0.000 0.261 91 A C 1.398 178.969 177.584 -0.022 0.000 1.101 91 A CA 0.627 52.653 52.037 -0.019 0.000 0.772 91 A CB -0.444 18.553 19.000 -0.005 0.000 1.043 91 A HN 2.110 nan 8.150 nan 0.000 0.501 92 G N 1.463 110.247 108.800 -0.027 0.000 2.141 92 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.231 92 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.231 92 G C -0.203 174.677 174.900 -0.033 0.000 0.984 92 G CA 0.260 45.346 45.100 -0.022 0.000 0.660 92 G HN 0.763 nan 8.290 nan 0.000 0.525 93 E N 1.033 121.198 120.200 -0.058 0.000 2.256 93 E HA 0.355 4.705 4.350 -0.000 0.000 0.268 93 E C -0.171 176.362 176.600 -0.113 0.000 0.877 93 E CA -0.679 55.673 56.400 -0.079 0.000 0.757 93 E CB 1.502 31.144 29.700 -0.096 0.000 1.183 93 E HN 0.519 nan 8.360 nan 0.000 0.418 94 E N 2.709 122.855 120.200 -0.089 0.000 2.257 94 E HA 0.073 4.423 4.350 -0.000 0.000 0.278 94 E C 0.074 176.596 176.600 -0.131 0.000 1.049 94 E CA -0.472 55.874 56.400 -0.091 0.000 0.876 94 E CB 0.346 30.017 29.700 -0.048 0.000 1.035 94 E HN 0.409 nan 8.360 nan 0.000 0.419 95 N N 1.680 120.269 118.700 -0.185 0.000 2.725 95 N HA -0.250 4.490 4.740 -0.000 0.000 0.251 95 N C -1.271 174.071 175.510 -0.280 0.000 1.031 95 N CA 1.213 54.153 53.050 -0.183 0.000 0.720 95 N CB -0.813 37.658 38.487 -0.026 0.000 0.930 95 N HN 0.770 nan 8.380 nan 0.000 0.543 96 Q N 0.645 120.117 119.800 -0.547 0.000 2.285 96 Q HA 0.468 4.808 4.340 -0.000 0.000 0.269 96 Q C -1.549 174.094 176.000 -0.595 0.000 1.030 96 Q CA -0.675 54.893 55.803 -0.392 0.000 0.788 96 Q CB 1.030 29.665 28.738 -0.171 0.000 1.266 96 Q HN 0.264 nan 8.270 nan 0.000 0.438 97 Y N 2.234 122.521 120.300 -0.022 0.000 2.499 97 Y HA 0.465 5.015 4.550 -0.000 0.000 0.347 97 Y C -0.157 175.728 175.900 -0.024 0.000 0.987 97 Y CA -1.245 56.840 58.100 -0.024 0.000 1.044 97 Y CB 1.450 39.881 38.460 -0.049 0.000 1.245 97 Y HN 0.470 nan 8.280 nan 0.000 0.461 98 I N 2.639 123.292 120.570 0.140 0.000 2.322 98 I HA 0.133 4.303 4.170 -0.000 0.000 0.292 98 I C -0.372 175.742 176.117 -0.005 0.000 1.060 98 I CA -0.637 60.681 61.300 0.029 0.000 1.309 98 I CB -0.405 37.615 38.000 0.034 0.000 1.415 98 I HN 0.580 nan 8.210 nan 0.000 0.492 99 C N 7.355 126.627 119.300 -0.046 0.000 2.295 99 C HA 0.435 4.895 4.460 -0.000 0.000 0.331 99 C C 0.048 174.991 174.990 -0.078 0.000 1.280 99 C CA -0.686 58.323 59.018 -0.014 0.000 1.746 99 C CB -0.259 27.479 27.740 -0.004 0.000 2.328 99 C HN 0.500 nan 8.230 nan 0.000 0.521 100 Y N 2.011 122.298 120.300 -0.022 0.000 2.341 100 Y HA 0.537 5.088 4.550 0.000 0.000 0.340 100 Y C 0.351 176.158 175.900 -0.154 0.000 0.997 100 Y CA -0.260 57.779 58.100 -0.102 0.000 1.149 100 Y CB 0.790 39.006 38.460 -0.406 0.000 1.171 100 Y HN 0.418 nan 8.280 nan 0.000 0.494 101 V N 2.912 122.999 119.914 0.288 0.000 2.680 101 V HA 0.834 4.954 4.120 -0.000 0.000 0.309 101 V C -0.381 175.867 176.094 0.258 0.000 1.052 101 V CA -1.098 61.337 62.300 0.224 0.000 0.908 101 V CB 1.797 33.696 31.823 0.127 0.000 1.001 101 V HN 0.820 nan 8.190 nan 0.000 0.431 102 A N 3.799 126.694 122.820 0.125 0.000 2.331 102 A HA 0.865 5.185 4.320 -0.000 0.000 0.320 102 A C -1.530 175.941 177.584 -0.189 0.000 1.138 102 A CA -0.388 51.696 52.037 0.079 0.000 0.790 102 A CB 0.669 19.746 19.000 0.129 0.000 1.206 102 A HN 0.745 nan 8.150 nan 0.000 0.470 103 Y N 2.259 122.679 120.300 0.200 0.000 2.331 103 Y HA 0.429 4.979 4.550 -0.000 0.000 0.334 103 Y C -2.400 173.631 175.900 0.218 0.000 0.960 103 Y CA -2.533 55.697 58.100 0.216 0.000 1.130 103 Y CB 1.681 40.369 38.460 0.381 0.000 1.164 103 Y HN 0.491 nan 8.280 nan 0.000 0.458 104 P HA -0.082 nan 4.420 nan 0.000 0.264 104 P C 0.872 178.322 177.300 0.249 0.000 1.183 104 P CA -0.005 63.213 63.100 0.197 0.000 0.763 104 P CB 0.846 32.620 31.700 0.122 0.000 0.807 105 L N 3.602 124.951 121.223 0.210 0.000 2.103 105 L HA -0.246 4.094 4.340 -0.000 0.000 0.215 105 L C 1.264 178.264 176.870 0.217 0.000 1.080 105 L CA 2.108 57.079 54.840 0.218 0.000 0.764 105 L CB -1.047 41.099 42.059 0.145 0.000 0.890 105 L HN 0.316 nan 8.230 nan 0.000 0.435 106 D N -1.117 119.380 120.400 0.161 0.000 2.371 106 D HA -0.071 4.569 4.640 -0.000 0.000 0.221 106 D C 2.147 178.477 176.300 0.050 0.000 0.986 106 D CA 0.670 54.759 54.000 0.148 0.000 0.899 106 D CB -0.044 40.898 40.800 0.238 0.000 0.902 106 D HN 0.405 nan 8.370 nan 0.000 0.530 107 L N -0.822 120.336 121.223 -0.109 0.000 2.418 107 L HA 0.056 4.396 4.340 -0.000 0.000 0.218 107 L C 0.262 176.777 176.870 -0.591 0.000 1.125 107 L CA 0.310 54.901 54.840 -0.415 0.000 0.835 107 L CB -0.077 41.592 42.059 -0.650 0.000 0.953 107 L HN -0.111 nan 8.230 nan 0.000 0.454 108 F N -0.121 119.805 119.950 -0.040 0.000 2.425 108 F HA 0.292 4.819 4.527 0.000 0.000 0.331 108 F C 0.683 176.533 175.800 0.083 0.000 1.085 108 F CA -1.097 56.876 58.000 -0.045 0.000 1.028 108 F CB 0.851 39.656 39.000 -0.326 0.000 1.177 108 F HN -0.179 nan 8.300 nan 0.000 0.487 109 E N 1.673 122.048 120.200 0.291 0.000 2.259 109 E HA 0.160 4.510 4.350 -0.000 0.000 0.281 109 E C -0.810 175.933 176.600 0.237 0.000 1.037 109 E CA -0.652 55.866 56.400 0.197 0.000 0.854 109 E CB 0.568 30.328 29.700 0.100 0.000 1.051 109 E HN 0.494 nan 8.360 nan 0.000 0.409 110 E N 2.381 122.654 120.200 0.122 0.000 2.481 110 E HA 0.132 4.482 4.350 -0.000 0.000 0.263 110 E C 1.017 177.384 176.600 -0.388 0.000 0.992 110 E CA 1.349 57.698 56.400 -0.085 0.000 0.938 110 E CB 0.426 30.080 29.700 -0.078 0.000 0.933 110 E HN 0.812 nan 8.360 nan 0.000 0.453 111 G N 2.339 110.535 108.800 -1.008 0.000 2.186 111 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.266 111 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.266 111 G C 0.398 174.834 174.900 -0.773 0.000 0.982 111 G CA 0.696 44.993 45.100 -1.338 0.000 0.670 111 G HN 0.532 nan 8.290 nan 0.000 0.533 112 S N -0.396 115.100 115.700 -0.340 0.000 2.528 112 S HA 0.522 4.992 4.470 -0.000 0.000 0.303 112 S C 1.603 176.281 174.600 0.128 0.000 1.123 112 S CA 0.085 58.276 58.200 -0.015 0.000 1.138 112 S CB 1.096 64.310 63.200 0.023 0.000 0.984 112 S HN 0.525 nan 8.310 nan 0.000 0.474 113 V N 4.772 124.736 119.914 0.084 0.000 2.324 113 V HA -0.178 3.942 4.120 -0.000 0.000 0.250 113 V C 2.626 178.458 176.094 -0.437 0.000 1.060 113 V CA 2.603 64.691 62.300 -0.353 0.000 1.042 113 V CB -1.202 30.104 31.823 -0.863 0.000 0.650 113 V HN 0.833 nan 8.190 nan 0.000 0.450 114 T N 0.129 114.555 114.554 -0.214 0.000 2.685 114 T HA -0.298 4.052 4.350 -0.000 0.000 0.268 114 T C 1.892 176.609 174.700 0.029 0.000 1.034 114 T CA 2.091 64.166 62.100 -0.041 0.000 1.149 114 T CB -0.512 68.391 68.868 0.057 0.000 0.860 114 T HN 0.620 nan 8.240 nan 0.000 0.449 115 N N 0.273 119.010 118.700 0.063 0.000 2.250 115 N HA -0.022 4.718 4.740 -0.000 0.000 0.181 115 N C 2.079 177.706 175.510 0.196 0.000 1.017 115 N CA 0.857 53.980 53.050 0.122 0.000 0.866 115 N CB -0.190 38.380 38.487 0.138 0.000 0.985 115 N HN 0.421 nan 8.380 nan 0.000 0.429 116 M N -0.007 119.714 119.600 0.202 0.000 2.067 116 M HA -0.164 4.316 4.480 -0.000 0.000 0.260 116 M C 1.484 177.937 176.300 0.256 0.000 1.069 116 M CA 1.534 56.965 55.300 0.219 0.000 1.117 116 M CB -0.208 32.400 32.600 0.014 0.000 1.334 116 M HN -0.014 nan 8.290 nan 0.000 0.407 117 F N 0.766 120.702 119.950 -0.023 0.000 2.126 117 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 117 F C 2.614 178.425 175.800 0.017 0.000 1.096 117 F CA 1.743 59.728 58.000 -0.024 0.000 1.255 117 F CB -2.005 36.964 39.000 -0.052 0.000 0.997 117 F HN 0.235 nan 8.300 nan 0.000 0.479 118 T N -0.966 113.717 114.554 0.214 0.000 2.759 118 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 118 T C 2.403 177.160 174.700 0.094 0.000 1.042 118 T CA 1.692 63.868 62.100 0.127 0.000 1.140 118 T CB -0.382 68.540 68.868 0.090 0.000 0.864 118 T HN 0.164 nan 8.240 nan 0.000 0.455 119 S N 0.561 116.316 115.700 0.091 0.000 2.335 119 S HA 0.123 4.593 4.470 -0.000 0.000 0.217 119 S C 1.990 176.625 174.600 0.058 0.000 1.032 119 S CA 0.701 58.919 58.200 0.030 0.000 0.985 119 S CB -0.255 62.909 63.200 -0.061 0.000 0.896 119 S HN 0.404 nan 8.310 nan 0.000 0.445 120 I N 0.413 121.027 120.570 0.073 0.000 2.761 120 I HA 0.017 4.187 4.170 -0.000 0.000 0.261 120 I C 1.075 177.380 176.117 0.313 0.000 1.198 120 I CA 0.788 62.162 61.300 0.123 0.000 1.482 120 I CB 0.209 38.220 38.000 0.017 0.000 1.100 120 I HN 0.120 nan 8.210 nan 0.000 0.445 121 V N -0.002 120.040 119.914 0.212 0.000 3.276 121 V HA 0.252 4.372 4.120 -0.000 0.000 0.319 121 V C 1.664 177.816 176.094 0.098 0.000 1.476 121 V CA 0.446 62.870 62.300 0.206 0.000 1.097 121 V CB 0.711 32.472 31.823 -0.103 0.000 0.988 121 V HN 0.382 nan 8.190 nan 0.000 0.473 122 G N 1.106 109.970 108.800 0.108 0.000 2.464 122 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.214 122 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.214 122 G C 1.110 176.030 174.900 0.035 0.000 1.218 122 G CA 1.134 46.267 45.100 0.054 0.000 0.794 122 G HN 0.528 nan 8.290 nan 0.000 0.542 123 N N -0.282 118.428 118.700 0.017 0.000 2.257 123 N HA 0.017 4.757 4.740 -0.000 0.000 0.200 123 N C 2.201 177.642 175.510 -0.116 0.000 1.163 123 N CA 0.834 53.847 53.050 -0.062 0.000 0.891 123 N CB 0.534 38.938 38.487 -0.138 0.000 1.067 123 N HN 0.298 nan 8.380 nan 0.000 0.497 124 V N -1.436 118.452 119.914 -0.044 0.000 2.626 124 V HA -0.009 4.111 4.120 -0.000 0.000 0.252 124 V C 1.586 177.665 176.094 -0.024 0.000 1.067 124 V CA 1.138 63.357 62.300 -0.136 0.000 1.081 124 V CB -1.179 30.573 31.823 -0.118 0.000 0.686 124 V HN -0.090 nan 8.190 nan 0.000 0.468 125 F N 2.563 122.485 119.950 -0.047 0.000 2.641 125 F HA 0.274 4.801 4.527 -0.000 0.000 0.298 125 F C 2.174 178.025 175.800 0.085 0.000 1.146 125 F CA 1.100 59.115 58.000 0.025 0.000 1.464 125 F CB -0.652 38.357 39.000 0.015 0.000 1.101 125 F HN 0.369 nan 8.300 nan 0.000 0.585 126 G N -1.882 107.008 108.800 0.150 0.000 3.377 126 G HA2 0.062 4.022 3.960 -0.000 0.000 0.257 126 G HA3 0.062 4.022 3.960 -0.000 0.000 0.257 126 G C 0.056 175.005 174.900 0.081 0.000 1.038 126 G CA -0.225 44.935 45.100 0.100 0.000 0.809 126 G HN -0.027 nan 8.290 nan 0.000 0.526 127 F N 1.846 121.807 119.950 0.017 0.000 2.612 127 F HA 0.132 4.659 4.527 -0.000 0.000 0.389 127 F C 1.796 177.594 175.800 -0.004 0.000 1.055 127 F CA 0.038 58.031 58.000 -0.011 0.000 1.232 127 F CB 0.953 39.919 39.000 -0.056 0.000 1.044 127 F HN -0.002 nan 8.300 nan 0.000 0.560 128 K N 2.994 123.551 120.400 0.263 0.000 2.103 128 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 128 K C 1.927 178.574 176.600 0.078 0.000 1.048 128 K CA 1.453 57.816 56.287 0.127 0.000 0.930 128 K CB -0.156 32.398 32.500 0.090 0.000 0.716 128 K HN 0.700 nan 8.250 nan 0.000 0.444 129 A N 0.799 123.642 122.820 0.040 0.000 2.248 129 A HA 0.034 4.354 4.320 -0.000 0.000 0.210 129 A C 0.664 178.218 177.584 -0.050 0.000 1.174 129 A CA 0.633 52.638 52.037 -0.054 0.000 0.750 129 A CB -0.257 18.634 19.000 -0.182 0.000 0.780 129 A HN 0.104 nan 8.150 nan 0.000 0.478 130 L N -2.047 119.183 121.223 0.011 0.000 2.333 130 L HA 0.466 4.806 4.340 -0.000 0.000 0.269 130 L C 1.229 178.125 176.870 0.044 0.000 1.010 130 L CA -0.761 54.085 54.840 0.011 0.000 0.818 130 L CB 1.667 43.733 42.059 0.013 0.000 1.306 130 L HN 0.100 nan 8.230 nan 0.000 0.430 131 R N 0.953 121.477 120.500 0.040 0.000 2.175 131 R HA 0.431 4.771 4.340 -0.000 0.000 0.202 131 R C -0.096 176.259 176.300 0.091 0.000 1.018 131 R CA 0.442 56.572 56.100 0.049 0.000 1.029 131 R CB 0.672 30.991 30.300 0.033 0.000 0.959 131 R HN 0.722 nan 8.270 nan 0.000 0.480 132 A N 0.535 123.424 122.820 0.116 0.000 2.599 132 A HA 0.563 4.883 4.320 -0.000 0.000 0.294 132 A C -2.154 175.493 177.584 0.105 0.000 1.055 132 A CA -0.632 51.550 52.037 0.243 0.000 0.683 132 A CB 1.540 20.663 19.000 0.205 0.000 1.278 132 A HN 0.030 nan 8.150 nan 0.000 0.412 133 L N 0.803 122.040 121.223 0.022 0.000 2.526 133 L HA 0.762 5.102 4.340 -0.000 0.000 0.263 133 L C -0.663 176.052 176.870 -0.260 0.000 0.943 133 L CA -0.069 54.592 54.840 -0.298 0.000 0.859 133 L CB 1.890 43.524 42.059 -0.708 0.000 1.313 133 L HN 0.826 nan 8.230 nan 0.000 0.406 134 R N 4.218 124.690 120.500 -0.046 0.000 2.532 134 R HA 0.558 4.898 4.340 -0.000 0.000 0.297 134 R C -1.742 174.632 176.300 0.123 0.000 0.984 134 R CA -0.903 55.265 56.100 0.113 0.000 0.884 134 R CB 1.688 32.039 30.300 0.085 0.000 1.182 134 R HN 0.664 nan 8.270 nan 0.000 0.442 135 L N 4.412 125.748 121.223 0.189 0.000 2.313 135 L HA 0.218 4.558 4.340 -0.000 0.000 0.282 135 L C 0.728 177.522 176.870 -0.128 0.000 1.092 135 L CA 0.605 55.389 54.840 -0.093 0.000 0.831 135 L CB 1.084 43.072 42.059 -0.118 0.000 1.159 135 L HN 0.700 nan 8.230 nan 0.000 0.442 136 E N 2.267 122.301 120.200 -0.277 0.000 2.216 136 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 136 E C -0.276 176.142 176.600 -0.303 0.000 0.973 136 E CA 0.435 56.638 56.400 -0.328 0.000 0.851 136 E CB 0.466 29.715 29.700 -0.752 0.000 0.804 136 E HN 0.697 nan 8.360 nan 0.000 0.477 137 D N -1.059 119.174 120.400 -0.278 0.000 2.653 137 D HA 0.398 5.038 4.640 -0.000 0.000 0.258 137 D C -1.526 174.859 176.300 0.142 0.000 1.252 137 D CA -0.462 53.524 54.000 -0.024 0.000 0.777 137 D CB 1.401 42.222 40.800 0.036 0.000 1.339 137 D HN -0.149 nan 8.370 nan 0.000 0.422 138 L N 1.246 122.566 121.223 0.161 0.000 2.431 138 L HA 0.509 4.849 4.340 -0.000 0.000 0.266 138 L C -0.316 176.458 176.870 -0.160 0.000 0.978 138 L CA -0.906 53.925 54.840 -0.016 0.000 0.822 138 L CB 2.259 44.282 42.059 -0.061 0.000 1.310 138 L HN 0.177 nan 8.230 nan 0.000 0.409 139 R N 3.984 124.139 120.500 -0.575 0.000 2.204 139 R HA 0.468 4.808 4.340 -0.000 0.000 0.341 139 R C -1.060 175.035 176.300 -0.342 0.000 1.035 139 R CA -0.454 55.336 56.100 -0.518 0.000 0.887 139 R CB 0.269 30.090 30.300 -0.798 0.000 1.114 139 R HN 0.558 nan 8.270 nan 0.000 0.473 140 I N 7.874 128.264 120.570 -0.301 0.000 2.312 140 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 140 I C -1.695 174.287 176.117 -0.224 0.000 1.031 140 I CA -1.986 59.160 61.300 -0.258 0.000 1.293 140 I CB 1.526 39.362 38.000 -0.272 0.000 1.403 140 I HN 0.304 nan 8.210 nan 0.000 0.484 141 P HA -0.015 nan 4.420 nan 0.000 0.271 141 P C 1.052 178.332 177.300 -0.033 0.000 1.218 141 P CA -0.203 62.851 63.100 -0.077 0.000 0.780 141 P CB 1.224 32.904 31.700 -0.034 0.000 0.901 142 V N 0.384 120.277 119.914 -0.034 0.000 2.594 142 V HA -0.199 3.921 4.120 -0.000 0.000 0.253 142 V C 2.219 178.343 176.094 0.049 0.000 1.069 142 V CA 1.950 64.248 62.300 -0.004 0.000 1.082 142 V CB -2.128 29.696 31.823 0.002 0.000 0.680 142 V HN 0.527 nan 8.190 nan 0.000 0.469 143 A N -0.814 122.047 122.820 0.068 0.000 1.969 143 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 143 A C 2.130 179.816 177.584 0.170 0.000 1.169 143 A CA 1.826 53.922 52.037 0.098 0.000 0.635 143 A CB -0.748 18.305 19.000 0.089 0.000 0.810 143 A HN 0.699 nan 8.150 nan 0.000 0.445 144 Y N 0.130 120.456 120.300 0.042 0.000 2.365 144 Y HA -0.019 4.530 4.550 -0.000 0.000 0.293 144 Y C 2.283 178.307 175.900 0.206 0.000 1.119 144 Y CA 1.092 59.253 58.100 0.102 0.000 1.203 144 Y CB -0.099 38.387 38.460 0.044 0.000 1.026 144 Y HN 0.056 nan 8.280 nan 0.000 0.549 145 V N 0.584 120.577 119.914 0.132 0.000 2.392 145 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 145 V C 2.223 178.419 176.094 0.171 0.000 1.059 145 V CA 2.002 64.359 62.300 0.095 0.000 1.051 145 V CB -0.534 31.312 31.823 0.039 0.000 0.658 145 V HN 0.230 nan 8.190 nan 0.000 0.455 146 K N 0.579 121.046 120.400 0.112 0.000 2.439 146 K HA -0.054 4.266 4.320 -0.000 0.000 0.197 146 K C 2.061 178.681 176.600 0.034 0.000 1.041 146 K CA 1.423 57.756 56.287 0.078 0.000 0.970 146 K CB -0.687 31.846 32.500 0.054 0.000 0.773 146 K HN 0.738 nan 8.250 nan 0.000 0.479 147 T N -1.777 112.766 114.554 -0.018 0.000 3.215 147 T HA 0.102 4.452 4.350 -0.000 0.000 0.254 147 T C 0.396 174.869 174.700 -0.377 0.000 1.149 147 T CA -0.081 61.894 62.100 -0.209 0.000 1.042 147 T CB -0.373 68.284 68.868 -0.352 0.000 0.966 147 T HN -0.151 nan 8.240 nan 0.000 0.534 148 F N 0.433 120.303 119.950 -0.133 0.000 2.561 148 F HA 0.475 5.002 4.527 0.000 0.000 0.321 148 F C 1.389 177.165 175.800 -0.040 0.000 1.065 148 F CA -1.271 56.676 58.000 -0.088 0.000 0.934 148 F CB 2.143 41.081 39.000 -0.103 0.000 1.215 148 F HN -0.155 nan 8.300 nan 0.000 0.471 149 Q N 1.848 121.753 119.800 0.174 0.000 2.187 149 Q HA 0.239 4.579 4.340 -0.000 0.000 0.199 149 Q C 0.966 177.015 176.000 0.082 0.000 0.957 149 Q CA 1.098 56.948 55.803 0.079 0.000 0.857 149 Q CB 0.007 28.771 28.738 0.043 0.000 0.929 149 Q HN 1.000 nan 8.270 nan 0.000 0.453 150 G N 0.772 109.642 108.800 0.117 0.000 2.698 150 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.233 150 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.233 150 G C -2.511 172.379 174.900 -0.018 0.000 1.352 150 G CA -0.405 44.707 45.100 0.020 0.000 0.879 150 G HN 0.324 nan 8.290 nan 0.000 0.567 151 P HA 0.155 nan 4.420 nan 0.000 0.266 151 P C -1.702 175.533 177.300 -0.108 0.000 1.186 151 P CA -0.356 62.695 63.100 -0.082 0.000 0.767 151 P CB 0.169 31.818 31.700 -0.085 0.000 0.820 152 P HA -0.163 nan 4.420 nan 0.000 0.216 152 P C 0.963 177.849 177.300 -0.690 0.000 1.153 152 P CA 1.922 64.803 63.100 -0.364 0.000 0.848 152 P CB 0.025 31.548 31.700 -0.295 0.000 0.787 153 H N -3.147 115.909 119.070 -0.022 0.000 2.143 153 H HA 0.377 4.933 4.556 -0.000 0.000 0.238 153 H C 1.165 176.489 175.328 -0.008 0.000 0.914 153 H CA 1.152 57.193 56.048 -0.011 0.000 1.154 153 H CB -0.006 29.751 29.762 -0.008 0.000 1.359 153 H HN 0.077 nan 8.280 nan 0.000 0.493 154 G N 0.773 109.636 108.800 0.104 0.000 2.661 154 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.685 154 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.685 154 G C 0.709 175.653 174.900 0.073 0.000 1.298 154 G CA -0.067 45.060 45.100 0.046 0.000 0.855 154 G HN 0.214 nan 8.290 nan 0.000 0.560 155 I N 0.203 120.801 120.570 0.047 0.000 2.179 155 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 155 I C 2.945 179.107 176.117 0.075 0.000 1.088 155 I CA 2.225 63.560 61.300 0.058 0.000 1.357 155 I CB -0.261 37.762 38.000 0.039 0.000 1.051 155 I HN 0.758 nan 8.210 nan 0.000 0.409 156 Q N 0.768 120.613 119.800 0.075 0.000 2.045 156 Q HA -0.256 4.084 4.340 -0.000 0.000 0.206 156 Q C 2.409 178.470 176.000 0.102 0.000 0.991 156 Q CA 2.860 58.720 55.803 0.094 0.000 0.851 156 Q CB -0.188 28.598 28.738 0.079 0.000 0.911 156 Q HN 0.494 nan 8.270 nan 0.000 0.418 157 V N -0.443 119.529 119.914 0.096 0.000 2.453 157 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 157 V C 2.090 178.223 176.094 0.065 0.000 1.048 157 V CA 2.409 64.766 62.300 0.096 0.000 1.049 157 V CB -0.555 31.342 31.823 0.123 0.000 0.672 157 V HN 0.545 nan 8.190 nan 0.000 0.457 158 E N 0.380 120.623 120.200 0.072 0.000 2.070 158 E HA -0.296 4.054 4.350 -0.000 0.000 0.197 158 E C 2.406 179.019 176.600 0.020 0.000 1.004 158 E CA 2.068 58.498 56.400 0.050 0.000 0.805 158 E CB -0.243 29.523 29.700 0.109 0.000 0.744 158 E HN 0.652 nan 8.360 nan 0.000 0.451 159 R N 0.293 120.799 120.500 0.009 0.000 2.081 159 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 159 R C 2.056 178.251 176.300 -0.175 0.000 1.131 159 R CA 1.507 57.533 56.100 -0.123 0.000 0.960 159 R CB -0.218 30.044 30.300 -0.063 0.000 0.856 159 R HN 0.313 nan 8.270 nan 0.000 0.436 160 D N 0.579 121.005 120.400 0.044 0.000 2.117 160 D HA -0.117 4.523 4.640 -0.000 0.000 0.198 160 D C 1.798 178.120 176.300 0.036 0.000 0.982 160 D CA 0.989 55.059 54.000 0.116 0.000 0.828 160 D CB -0.028 40.859 40.800 0.146 0.000 0.967 160 D HN 0.037 nan 8.370 nan 0.000 0.464 161 K N 0.550 120.951 120.400 0.003 0.000 2.063 161 K HA -0.050 4.270 4.320 -0.000 0.000 0.208 161 K C 2.179 178.764 176.600 -0.025 0.000 1.048 161 K CA 0.588 56.864 56.287 -0.018 0.000 0.928 161 K CB -0.390 32.075 32.500 -0.059 0.000 0.713 161 K HN 0.282 nan 8.250 nan 0.000 0.442 162 L N 0.118 121.308 121.223 -0.054 0.000 2.567 162 L HA 0.121 4.461 4.340 -0.000 0.000 0.225 162 L C 0.463 177.256 176.870 -0.128 0.000 1.119 162 L CA -0.094 54.706 54.840 -0.066 0.000 0.871 162 L CB -0.435 41.594 42.059 -0.050 0.000 1.036 162 L HN 0.360 nan 8.230 nan 0.000 0.459 163 N N 1.447 120.036 118.700 -0.185 0.000 2.754 163 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 163 N C -0.419 174.846 175.510 -0.408 0.000 1.093 163 N CA 0.470 53.392 53.050 -0.213 0.000 0.699 163 N CB -0.336 38.135 38.487 -0.027 0.000 1.016 163 N HN 0.378 nan 8.380 nan 0.000 0.552 164 K N 1.411 121.403 120.400 -0.681 0.000 2.450 164 K HA 0.366 4.686 4.320 -0.000 0.000 0.257 164 K C -1.449 174.748 176.600 -0.672 0.000 0.953 164 K CA -0.331 55.659 56.287 -0.496 0.000 0.844 164 K CB 0.963 33.298 32.500 -0.273 0.000 1.103 164 K HN 0.090 nan 8.250 nan 0.000 0.429 165 Y N -0.339 119.965 120.300 0.006 0.000 2.492 165 Y HA 0.440 4.990 4.550 0.000 0.000 0.346 165 Y C 0.969 176.875 175.900 0.011 0.000 0.997 165 Y CA -0.996 57.111 58.100 0.012 0.000 1.025 165 Y CB 2.525 40.993 38.460 0.012 0.000 1.263 165 Y HN 0.772 nan 8.280 nan 0.000 0.454 166 G N 1.977 110.880 108.800 0.171 0.000 2.132 166 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.228 166 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.228 166 G C -0.319 174.624 174.900 0.072 0.000 1.000 166 G CA 0.066 45.231 45.100 0.109 0.000 0.693 166 G HN 0.939 nan 8.290 nan 0.000 0.515 167 R N -1.853 118.682 120.500 0.060 0.000 2.728 167 R HA 0.541 4.881 4.340 -0.000 0.000 0.259 167 R C -3.392 172.929 176.300 0.036 0.000 1.057 167 R CA -1.580 54.547 56.100 0.046 0.000 0.908 167 R CB 0.312 30.632 30.300 0.034 0.000 1.259 167 R HN 0.004 nan 8.270 nan 0.000 0.472 168 P HA -0.016 nan 4.420 nan 0.000 0.267 168 P C -0.420 176.888 177.300 0.013 0.000 1.195 168 P CA -0.017 63.102 63.100 0.032 0.000 0.773 168 P CB 0.428 32.159 31.700 0.051 0.000 0.837 169 L N 1.799 123.025 121.223 0.005 0.000 2.421 169 L HA 0.387 4.727 4.340 -0.000 0.000 0.263 169 L C 0.364 177.254 176.870 0.034 0.000 1.122 169 L CA -0.652 54.182 54.840 -0.011 0.000 0.804 169 L CB 0.157 42.228 42.059 0.021 0.000 1.150 169 L HN 0.195 nan 8.230 nan 0.000 0.457 170 L N 0.985 122.216 121.223 0.014 0.000 2.333 170 L HA 0.648 4.988 4.340 -0.000 0.000 0.280 170 L C 0.291 177.230 176.870 0.114 0.000 1.004 170 L CA -0.212 54.679 54.840 0.085 0.000 0.820 170 L CB 1.674 43.761 42.059 0.047 0.000 1.247 170 L HN 0.728 nan 8.230 nan 0.000 0.416 171 G N 0.870 109.771 108.800 0.167 0.000 3.211 171 G HA2 0.634 4.594 3.960 -0.000 0.000 0.262 171 G HA3 0.634 4.594 3.960 -0.000 0.000 0.262 171 G C -1.675 173.266 174.900 0.069 0.000 1.352 171 G CA -0.526 44.654 45.100 0.134 0.000 1.004 171 G HN 0.652 nan 8.290 nan 0.000 0.559 172 C N 0.079 119.364 119.300 -0.026 0.000 3.181 172 C HA 0.502 4.962 4.460 -0.000 0.000 0.414 172 C C -0.287 174.664 174.990 -0.066 0.000 1.016 172 C CA -0.560 58.454 59.018 -0.007 0.000 1.287 172 C CB -0.129 27.627 27.740 0.026 0.000 1.665 172 C HN 0.881 nan 8.230 nan 0.000 0.549 173 T N 6.999 121.531 114.554 -0.036 0.000 2.884 173 T HA 0.398 4.748 4.350 -0.000 0.000 0.298 173 T C 0.600 175.284 174.700 -0.026 0.000 0.998 173 T CA -0.282 61.802 62.100 -0.026 0.000 1.124 173 T CB 0.484 69.366 68.868 0.024 0.000 0.931 173 T HN 0.581 nan 8.240 nan 0.000 0.531 174 I N 3.655 124.188 120.570 -0.061 0.000 2.588 174 I HA 0.200 4.370 4.170 -0.000 0.000 0.283 174 I C 0.833 176.902 176.117 -0.079 0.000 1.119 174 I CA -0.073 61.124 61.300 -0.171 0.000 1.419 174 I CB 0.155 37.800 38.000 -0.592 0.000 1.394 174 I HN 0.481 nan 8.210 nan 0.000 0.562 175 K N 6.105 126.468 120.400 -0.061 0.000 2.354 175 K HA 0.548 4.868 4.320 -0.000 0.000 0.238 175 K C -2.379 174.220 176.600 -0.002 0.000 1.068 175 K CA -1.639 54.648 56.287 -0.000 0.000 0.925 175 K CB 0.009 32.525 32.500 0.028 0.000 1.286 175 K HN 0.289 nan 8.250 nan 0.000 0.500 176 P HA -0.210 nan 4.420 nan 0.000 0.240 176 P C 0.010 177.331 177.300 0.034 0.000 1.042 176 P CA 0.793 63.900 63.100 0.011 0.000 0.761 176 P CB 0.061 31.754 31.700 -0.012 0.000 0.602 177 K N 1.718 122.136 120.400 0.030 0.000 2.020 177 K HA -0.105 4.215 4.320 -0.000 0.000 0.212 177 K C 1.100 177.744 176.600 0.074 0.000 1.050 177 K CA 1.221 57.545 56.287 0.061 0.000 0.929 177 K CB -0.098 32.424 32.500 0.038 0.000 0.714 177 K HN 0.419 nan 8.250 nan 0.000 0.443 178 L N -1.704 119.485 121.223 -0.057 0.000 2.341 178 L HA 0.410 4.750 4.340 -0.000 0.000 0.267 178 L C 0.757 177.281 176.870 -0.576 0.000 1.009 178 L CA -0.349 54.308 54.840 -0.305 0.000 0.819 178 L CB 2.148 44.037 42.059 -0.284 0.000 1.323 178 L HN 0.508 nan 8.230 nan 0.000 0.425 179 G N 1.443 109.439 108.800 -1.342 0.000 2.201 179 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.212 179 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.212 179 G C -0.140 174.629 174.900 -0.218 0.000 0.994 179 G CA -0.505 44.110 45.100 -0.808 0.000 0.644 179 G HN 0.336 nan 8.290 nan 0.000 0.508 180 L N 2.025 123.262 121.223 0.022 0.000 2.439 180 L HA 0.581 4.921 4.340 -0.000 0.000 0.261 180 L C 1.486 178.553 176.870 0.329 0.000 1.153 180 L CA -0.028 54.934 54.840 0.202 0.000 0.808 180 L CB 1.328 43.558 42.059 0.285 0.000 1.126 180 L HN 0.443 nan 8.230 nan 0.000 0.460 181 S N 0.902 116.734 115.700 0.220 0.000 2.652 181 S HA 0.383 4.853 4.470 -0.000 0.000 0.270 181 S C 0.999 175.689 174.600 0.150 0.000 1.243 181 S CA -0.210 58.095 58.200 0.176 0.000 0.999 181 S CB 1.579 64.828 63.200 0.082 0.000 0.973 181 S HN 0.702 nan 8.310 nan 0.000 0.544 182 A N 1.493 124.372 122.820 0.098 0.000 1.892 182 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 182 A C 2.162 179.713 177.584 -0.054 0.000 1.188 182 A CA 2.018 54.125 52.037 0.116 0.000 0.631 182 A CB -1.040 18.107 19.000 0.245 0.000 0.822 182 A HN 0.919 nan 8.150 nan 0.000 0.447 183 K N -0.601 119.547 120.400 -0.420 0.000 2.148 183 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 183 K C 1.747 178.191 176.600 -0.260 0.000 1.050 183 K CA 1.539 57.374 56.287 -0.754 0.000 0.942 183 K CB -0.246 31.770 32.500 -0.805 0.000 0.724 183 K HN 0.673 nan 8.250 nan 0.000 0.446 184 N N -0.823 117.827 118.700 -0.082 0.000 2.270 184 N HA -0.131 4.609 4.740 -0.000 0.000 0.181 184 N C 1.487 177.037 175.510 0.068 0.000 1.016 184 N CA 0.573 53.623 53.050 0.001 0.000 0.870 184 N CB -0.071 38.434 38.487 0.031 0.000 0.979 184 N HN 0.124 nan 8.380 nan 0.000 0.431 185 Y N 1.351 121.651 120.300 0.001 0.000 2.114 185 Y HA -0.202 4.348 4.550 -0.000 0.000 0.282 185 Y C 2.501 178.402 175.900 0.002 0.000 1.165 185 Y CA 1.848 59.967 58.100 0.031 0.000 1.148 185 Y CB -0.714 37.792 38.460 0.076 0.000 0.972 185 Y HN 0.053 nan 8.280 nan 0.000 0.504 186 G N -0.836 108.055 108.800 0.153 0.000 2.402 186 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 186 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 186 G C 1.733 176.682 174.900 0.081 0.000 1.162 186 G CA 0.800 45.964 45.100 0.107 0.000 0.777 186 G HN 0.350 nan 8.290 nan 0.000 0.539 187 R N 0.662 121.189 120.500 0.046 0.000 2.083 187 R HA -0.045 4.295 4.340 -0.000 0.000 0.237 187 R C 2.758 179.107 176.300 0.082 0.000 1.137 187 R CA 1.742 57.889 56.100 0.077 0.000 0.951 187 R CB -0.458 29.859 30.300 0.028 0.000 0.851 187 R HN 0.268 nan 8.270 nan 0.000 0.434 188 A N 0.450 123.277 122.820 0.012 0.000 1.877 188 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 188 A C 2.331 179.895 177.584 -0.034 0.000 1.186 188 A CA 1.648 53.664 52.037 -0.035 0.000 0.620 188 A CB -0.705 18.226 19.000 -0.116 0.000 0.822 188 A HN 0.233 nan 8.150 nan 0.000 0.443 189 V N -0.934 118.962 119.914 -0.031 0.000 2.282 189 V HA -0.335 3.785 4.120 -0.000 0.000 0.249 189 V C 2.424 178.550 176.094 0.053 0.000 1.057 189 V CA 2.422 64.724 62.300 0.003 0.000 1.032 189 V CB -1.125 30.674 31.823 -0.039 0.000 0.645 189 V HN 0.757 nan 8.190 nan 0.000 0.447 190 Y N 1.401 121.694 120.300 -0.012 0.000 2.145 190 Y HA -0.201 4.349 4.550 0.000 0.000 0.286 190 Y C 2.580 178.481 175.900 0.001 0.000 1.145 190 Y CA 1.990 60.092 58.100 0.003 0.000 1.148 190 Y CB -0.367 38.102 38.460 0.016 0.000 0.981 190 Y HN 0.281 nan 8.280 nan 0.000 0.507 191 E N -0.285 119.741 120.200 -0.290 0.000 2.110 191 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 191 E C 2.476 178.932 176.600 -0.240 0.000 0.988 191 E CA 1.370 57.549 56.400 -0.368 0.000 0.804 191 E CB -0.910 28.699 29.700 -0.151 0.000 0.745 191 E HN 0.558 nan 8.360 nan 0.000 0.458 192 C N 0.872 120.090 119.300 -0.136 0.000 2.413 192 C HA -0.117 4.343 4.460 -0.000 0.000 0.277 192 C C 2.890 177.820 174.990 -0.100 0.000 1.228 192 C CA 0.534 59.497 59.018 -0.092 0.000 1.731 192 C CB -1.205 26.508 27.740 -0.044 0.000 2.042 192 C HN 0.353 nan 8.230 nan 0.000 0.468 193 L N 1.049 122.218 121.223 -0.089 0.000 2.093 193 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 193 L C 2.856 179.670 176.870 -0.094 0.000 1.085 193 L CA 1.643 56.447 54.840 -0.060 0.000 0.755 193 L CB -0.688 41.370 42.059 -0.001 0.000 0.904 193 L HN 0.473 nan 8.230 nan 0.000 0.435 194 R N 0.394 120.782 120.500 -0.186 0.000 2.235 194 R HA -0.044 4.296 4.340 -0.000 0.000 0.213 194 R C 1.846 178.069 176.300 -0.128 0.000 1.059 194 R CA 1.189 57.183 56.100 -0.177 0.000 0.997 194 R CB -0.543 29.529 30.300 -0.380 0.000 0.884 194 R HN 0.234 nan 8.270 nan 0.000 0.462 195 G N -0.585 108.137 108.800 -0.130 0.000 2.880 195 G HA2 0.248 4.208 3.960 -0.000 0.000 0.209 195 G HA3 0.248 4.208 3.960 -0.000 0.000 0.209 195 G C 0.873 175.730 174.900 -0.072 0.000 1.157 195 G CA 0.262 45.303 45.100 -0.097 0.000 0.779 195 G HN 0.565 nan 8.290 nan 0.000 0.539 196 G N -0.718 108.042 108.800 -0.067 0.000 2.370 196 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.174 196 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.174 196 G C 0.259 175.121 174.900 -0.064 0.000 1.002 196 G CA -0.383 44.683 45.100 -0.056 0.000 0.730 196 G HN 0.315 nan 8.290 nan 0.000 0.497 197 L N 1.339 122.523 121.223 -0.065 0.000 2.439 197 L HA 0.332 4.672 4.340 -0.000 0.000 0.269 197 L C 1.113 177.917 176.870 -0.110 0.000 1.179 197 L CA -0.479 54.324 54.840 -0.062 0.000 0.828 197 L CB 0.515 42.558 42.059 -0.027 0.000 1.106 197 L HN 0.032 nan 8.230 nan 0.000 0.467 198 D N 1.237 121.518 120.400 -0.199 0.000 2.213 198 D HA 0.040 4.680 4.640 -0.000 0.000 0.205 198 D C -0.081 175.966 176.300 -0.422 0.000 0.961 198 D CA 1.429 55.184 54.000 -0.407 0.000 0.853 198 D CB 0.305 40.681 40.800 -0.707 0.000 0.967 198 D HN 0.149 nan 8.370 nan 0.000 0.496 199 F N 0.207 120.146 119.950 -0.019 0.000 2.588 199 F HA 0.328 4.855 4.527 -0.000 0.000 0.314 199 F C 0.695 176.384 175.800 -0.184 0.000 1.069 199 F CA -1.094 56.851 58.000 -0.091 0.000 0.931 199 F CB 1.781 40.722 39.000 -0.099 0.000 1.260 199 F HN -0.323 nan 8.300 nan 0.000 0.465 203 D N 1.137 121.662 120.400 0.208 0.000 2.400 203 D HA -0.041 4.599 4.640 -0.000 0.000 0.238 203 D C 1.448 177.734 176.300 -0.022 0.000 1.157 203 D CA 0.087 54.141 54.000 0.090 0.000 0.889 203 D CB 1.136 42.017 40.800 0.134 0.000 1.199 203 D HN 0.431 nan 8.370 nan 0.000 0.436 204 E N 2.772 122.842 120.200 -0.216 0.000 2.209 204 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 204 E C 0.710 177.205 176.600 -0.175 0.000 0.993 204 E CA 1.329 57.486 56.400 -0.405 0.000 0.819 204 E CB -0.243 28.851 29.700 -1.011 0.000 0.745 204 E HN 0.525 nan 8.360 nan 0.000 0.477 205 N N 0.657 119.316 118.700 -0.069 0.000 2.205 205 N HA 0.007 4.747 4.740 -0.000 0.000 0.201 205 N C 0.128 175.680 175.510 0.070 0.000 1.128 205 N CA -0.113 52.933 53.050 -0.006 0.000 0.867 205 N CB 0.114 38.606 38.487 0.009 0.000 0.996 205 N HN -0.065 nan 8.380 nan 0.000 0.503 206 V N 2.362 122.336 119.914 0.101 0.000 2.377 206 V HA 0.078 4.198 4.120 -0.000 0.000 0.254 206 V C 0.434 176.578 176.094 0.083 0.000 1.060 206 V CA 0.162 62.545 62.300 0.138 0.000 1.068 206 V CB -1.084 30.833 31.823 0.157 0.000 1.113 206 V HN 0.318 nan 8.190 nan 0.000 0.484 207 N N 2.496 121.228 118.700 0.053 0.000 2.683 207 N HA 0.229 4.969 4.740 -0.000 0.000 0.220 207 N C -0.038 175.498 175.510 0.044 0.000 1.163 207 N CA -0.297 52.776 53.050 0.039 0.000 1.149 207 N CB 0.430 38.917 38.487 0.001 0.000 1.495 207 N HN 0.499 nan 8.380 nan 0.000 0.550 208 S N -0.015 115.687 115.700 0.003 0.000 2.614 208 S HA 0.489 4.959 4.470 -0.000 0.000 0.288 208 S C -1.675 172.850 174.600 -0.125 0.000 1.137 208 S CA -0.416 57.779 58.200 -0.008 0.000 0.992 208 S CB 1.374 64.676 63.200 0.171 0.000 1.026 208 S HN 0.260 nan 8.310 nan 0.000 0.486 209 Q N 2.908 122.522 119.800 -0.311 0.000 2.626 209 Q HA 0.463 4.803 4.340 -0.000 0.000 0.300 209 Q C -2.143 173.627 176.000 -0.383 0.000 0.988 209 Q CA -1.604 53.978 55.803 -0.369 0.000 0.761 209 Q CB 1.538 29.904 28.738 -0.621 0.000 1.494 209 Q HN 0.268 nan 8.270 nan 0.000 0.439 210 P HA -0.162 nan 4.420 nan 0.000 0.217 210 P C 0.549 177.816 177.300 -0.056 0.000 1.148 210 P CA 1.376 64.429 63.100 -0.078 0.000 0.828 210 P CB 0.035 31.751 31.700 0.027 0.000 0.783 211 F N -2.624 117.337 119.950 0.019 0.000 2.615 211 F HA 0.313 4.839 4.527 -0.000 0.000 0.297 211 F C 0.955 176.768 175.800 0.022 0.000 1.124 211 F CA -0.030 57.984 58.000 0.022 0.000 1.451 211 F CB -0.475 38.544 39.000 0.031 0.000 1.103 211 F HN -0.205 nan 8.300 nan 0.000 0.569 212 M N 1.368 120.701 119.600 -0.446 0.000 2.387 212 M HA 0.328 4.808 4.480 -0.000 0.000 0.215 212 M C -1.509 174.613 176.300 -0.296 0.000 0.973 212 M CA -0.492 54.658 55.300 -0.249 0.000 0.924 212 M CB 1.024 33.555 32.600 -0.115 0.000 2.471 212 M HN -0.176 nan 8.290 nan 0.000 0.445 213 R N 3.566 123.958 120.500 -0.179 0.000 2.531 213 R HA 0.291 4.631 4.340 -0.000 0.000 0.273 213 R C 1.074 177.284 176.300 -0.150 0.000 1.070 213 R CA -0.172 55.824 56.100 -0.173 0.000 1.112 213 R CB 0.579 30.755 30.300 -0.207 0.000 1.049 213 R HN 0.972 nan 8.270 nan 0.000 0.508 214 W N 3.699 124.879 121.300 -0.201 0.000 2.358 214 W HA -0.154 4.506 4.660 0.000 0.000 0.303 214 W C 1.203 177.525 176.519 -0.327 0.000 1.208 214 W CA 0.749 57.946 57.345 -0.247 0.000 1.274 214 W CB -0.467 28.782 29.460 -0.352 0.000 1.138 214 W HN 0.577 nan 8.180 nan 0.000 0.515 215 R N 1.090 120.840 120.500 -1.250 0.000 2.090 215 R HA -0.131 4.209 4.340 -0.000 0.000 0.228 215 R C 1.893 177.955 176.300 -0.397 0.000 1.110 215 R CA 1.945 57.319 56.100 -1.211 0.000 0.973 215 R CB -0.432 28.851 30.300 -1.695 0.000 0.869 215 R HN -0.059 nan 8.270 nan 0.000 0.440 216 D N 0.198 120.419 120.400 -0.298 0.000 2.133 216 D HA -0.236 4.404 4.640 -0.000 0.000 0.195 216 D C 1.865 178.271 176.300 0.176 0.000 0.997 216 D CA 1.231 55.202 54.000 -0.049 0.000 0.840 216 D CB -0.228 40.584 40.800 0.021 0.000 0.947 216 D HN 0.286 nan 8.370 nan 0.000 0.452 217 R N -0.260 120.352 120.500 0.186 0.000 2.066 217 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 217 R C 2.307 178.868 176.300 0.434 0.000 1.131 217 R CA 0.933 57.212 56.100 0.298 0.000 0.955 217 R CB -0.316 30.101 30.300 0.195 0.000 0.851 217 R HN 0.019 nan 8.270 nan 0.000 0.432 218 F N 1.277 121.353 119.950 0.211 0.000 2.120 218 F HA -0.235 4.292 4.527 0.000 0.000 0.300 218 F C 2.253 178.141 175.800 0.147 0.000 1.095 218 F CA 1.082 59.225 58.000 0.239 0.000 1.249 218 F CB -0.955 38.301 39.000 0.425 0.000 0.995 218 F HN 0.121 nan 8.300 nan 0.000 0.480 219 L N -1.479 119.953 121.223 0.348 0.000 2.005 219 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 219 L C 2.380 179.265 176.870 0.025 0.000 1.072 219 L CA 1.413 56.330 54.840 0.128 0.000 0.744 219 L CB -0.513 41.547 42.059 0.002 0.000 0.895 219 L HN -0.055 nan 8.230 nan 0.000 0.433 220 F N -0.449 119.572 119.950 0.118 0.000 2.186 220 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 220 F C 2.622 178.448 175.800 0.043 0.000 1.090 220 F CA 1.209 59.255 58.000 0.077 0.000 1.307 220 F CB -1.096 37.951 39.000 0.078 0.000 1.019 220 F HN 0.216 nan 8.300 nan 0.000 0.489 221 C N -0.375 119.041 119.300 0.194 0.000 2.440 221 C HA -0.061 4.399 4.460 -0.000 0.000 0.278 221 C C 3.102 178.066 174.990 -0.044 0.000 1.295 221 C CA 0.797 59.812 59.018 -0.006 0.000 1.738 221 C CB -1.557 26.053 27.740 -0.216 0.000 1.987 221 C HN 0.507 nan 8.230 nan 0.000 0.492 222 A N 0.527 123.336 122.820 -0.019 0.000 1.883 222 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 222 A C 2.166 179.749 177.584 -0.002 0.000 1.186 222 A CA 2.020 53.997 52.037 -0.100 0.000 0.624 222 A CB -0.736 18.260 19.000 -0.007 0.000 0.822 222 A HN 0.706 nan 8.150 nan 0.000 0.444 223 E N -0.111 120.153 120.200 0.106 0.000 2.058 223 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 223 E C 2.192 178.855 176.600 0.105 0.000 0.997 223 E CA 1.217 57.704 56.400 0.144 0.000 0.801 223 E CB -0.296 29.485 29.700 0.136 0.000 0.746 223 E HN 0.519 nan 8.360 nan 0.000 0.450 224 A N 1.413 124.287 122.820 0.089 0.000 1.865 224 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 224 A C 2.263 179.914 177.584 0.111 0.000 1.191 224 A CA 2.017 54.115 52.037 0.102 0.000 0.623 224 A CB -0.957 18.117 19.000 0.123 0.000 0.826 224 A HN 0.433 nan 8.150 nan 0.000 0.444 225 L N -3.035 118.190 121.223 0.004 0.000 2.083 225 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 225 L C 2.226 179.091 176.870 -0.008 0.000 1.083 225 L CA 1.927 56.745 54.840 -0.036 0.000 0.752 225 L CB -1.266 40.712 42.059 -0.135 0.000 0.899 225 L HN 0.284 nan 8.230 nan 0.000 0.433 226 Y N 0.545 120.887 120.300 0.071 0.000 2.314 226 Y HA -0.067 4.483 4.550 -0.000 0.000 0.293 226 Y C 2.747 178.680 175.900 0.055 0.000 1.129 226 Y CA 1.337 59.468 58.100 0.052 0.000 1.201 226 Y CB -0.582 37.895 38.460 0.030 0.000 0.999 226 Y HN 0.315 nan 8.280 nan 0.000 0.541 227 K N 0.169 120.683 120.400 0.189 0.000 2.057 227 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 227 K C 2.237 178.970 176.600 0.222 0.000 1.050 227 K CA 1.110 57.467 56.287 0.117 0.000 0.935 227 K CB -0.181 32.269 32.500 -0.083 0.000 0.715 227 K HN 0.229 nan 8.250 nan 0.000 0.439 228 A N 1.052 124.055 122.820 0.305 0.000 1.898 228 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 228 A C 2.072 179.743 177.584 0.144 0.000 1.181 228 A CA 1.462 53.654 52.037 0.259 0.000 0.620 228 A CB -0.591 18.517 19.000 0.181 0.000 0.819 228 A HN 0.533 nan 8.150 nan 0.000 0.442 229 Q N -0.425 119.456 119.800 0.134 0.000 2.077 229 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 229 Q C 2.137 178.199 176.000 0.102 0.000 0.989 229 Q CA 2.002 57.872 55.803 0.112 0.000 0.853 229 Q CB -0.338 28.488 28.738 0.147 0.000 0.907 229 Q HN 0.618 nan 8.270 nan 0.000 0.418 230 A N 0.287 123.176 122.820 0.115 0.000 1.929 230 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 230 A C 1.856 179.485 177.584 0.076 0.000 1.176 230 A CA 1.375 53.463 52.037 0.084 0.000 0.628 230 A CB -0.548 18.497 19.000 0.076 0.000 0.816 230 A HN 0.599 nan 8.150 nan 0.000 0.444 231 E N -0.245 120.015 120.200 0.099 0.000 2.051 231 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 231 E C 2.072 178.710 176.600 0.063 0.000 0.991 231 E CA 1.968 58.424 56.400 0.093 0.000 0.799 231 E CB -0.070 29.718 29.700 0.146 0.000 0.748 231 E HN 0.732 nan 8.360 nan 0.000 0.449 232 T N -3.998 110.590 114.554 0.057 0.000 3.031 232 T HA 0.222 4.572 4.350 -0.000 0.000 0.254 232 T C 1.520 176.236 174.700 0.027 0.000 1.060 232 T CA 0.727 62.847 62.100 0.033 0.000 1.135 232 T CB 0.504 69.383 68.868 0.018 0.000 0.896 232 T HN 0.346 nan 8.240 nan 0.000 0.472 233 G N 1.043 109.863 108.800 0.034 0.000 2.141 233 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.242 233 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.242 233 G C -0.308 174.603 174.900 0.019 0.000 0.982 233 G CA 0.091 45.208 45.100 0.027 0.000 0.662 233 G HN 0.681 nan 8.290 nan 0.000 0.527 234 E N -0.594 119.614 120.200 0.014 0.000 2.256 234 E HA 0.594 4.944 4.350 -0.000 0.000 0.267 234 E C 0.258 176.855 176.600 -0.004 0.000 0.892 234 E CA -1.109 55.287 56.400 -0.006 0.000 0.775 234 E CB 1.884 31.567 29.700 -0.028 0.000 1.207 234 E HN 0.266 nan 8.360 nan 0.000 0.420 235 I N 2.677 123.237 120.570 -0.016 0.000 2.648 235 I HA 0.034 4.204 4.170 -0.000 0.000 0.284 235 I C 0.295 176.395 176.117 -0.028 0.000 1.153 235 I CA 0.305 61.604 61.300 -0.001 0.000 1.426 235 I CB 0.176 38.175 38.000 -0.003 0.000 1.381 235 I HN 0.155 nan 8.210 nan 0.000 0.571 236 K N 4.135 124.541 120.400 0.010 0.000 2.328 236 K HA 0.741 5.061 4.320 -0.000 0.000 0.246 236 K C -0.313 176.337 176.600 0.083 0.000 0.955 236 K CA -0.680 55.610 56.287 0.006 0.000 0.817 236 K CB 2.185 34.697 32.500 0.020 0.000 1.208 236 K HN 0.787 nan 8.250 nan 0.000 0.432 237 G N 0.300 109.226 108.800 0.210 0.000 2.619 237 G HA2 0.409 4.369 3.960 -0.000 0.000 0.296 237 G HA3 0.409 4.369 3.960 -0.000 0.000 0.296 237 G C -1.750 173.337 174.900 0.312 0.000 1.334 237 G CA -0.247 45.055 45.100 0.336 0.000 0.934 237 G HN 0.557 nan 8.290 nan 0.000 0.476 238 H N 0.904 120.031 119.070 0.094 0.000 2.924 238 H HA 0.312 4.868 4.556 0.000 0.000 0.333 238 H C -1.141 174.199 175.328 0.020 0.000 0.979 238 H CA -0.573 55.474 56.048 -0.001 0.000 1.326 238 H CB 1.268 31.017 29.762 -0.021 0.000 1.600 238 H HN 0.355 nan 8.280 nan 0.000 0.520 239 Y N 5.668 125.583 120.300 -0.643 0.000 2.637 239 Y HA 0.118 4.668 4.550 -0.000 0.000 0.350 239 Y C 0.659 176.336 175.900 -0.372 0.000 1.069 239 Y CA -0.657 57.171 58.100 -0.453 0.000 1.397 239 Y CB -0.440 37.742 38.460 -0.464 0.000 1.163 239 Y HN 0.353 nan 8.280 nan 0.000 0.527 240 L N 3.834 124.991 121.223 -0.109 0.000 2.331 240 L HA 0.205 4.545 4.340 -0.000 0.000 0.278 240 L C 0.606 177.414 176.870 -0.103 0.000 1.106 240 L CA -0.033 54.650 54.840 -0.261 0.000 0.824 240 L CB 0.487 42.035 42.059 -0.852 0.000 1.142 240 L HN 0.623 nan 8.230 nan 0.000 0.443 241 N N 1.537 120.281 118.700 0.073 0.000 2.422 241 N HA 0.303 5.043 4.740 -0.000 0.000 0.264 241 N C 0.446 176.082 175.510 0.210 0.000 1.063 241 N CA -0.141 52.993 53.050 0.141 0.000 0.959 241 N CB 1.335 39.900 38.487 0.129 0.000 1.087 241 N HN 0.775 nan 8.380 nan 0.000 0.483 242 A N 2.538 125.440 122.820 0.136 0.000 2.308 242 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 242 A C 0.636 178.246 177.584 0.043 0.000 1.216 242 A CA -0.024 52.047 52.037 0.057 0.000 0.864 242 A CB -0.025 18.980 19.000 0.008 0.000 0.902 242 A HN 0.615 nan 8.150 nan 0.000 0.499 243 T N 1.651 116.278 114.554 0.122 0.000 2.933 243 T HA 0.439 4.789 4.350 -0.000 0.000 0.306 243 T C 0.204 174.902 174.700 -0.003 0.000 1.045 243 T CA 0.997 63.160 62.100 0.105 0.000 1.143 243 T CB 0.678 69.543 68.868 -0.004 0.000 1.003 243 T HN 0.939 nan 8.240 nan 0.000 0.540 244 A N 1.938 124.752 122.820 -0.009 0.000 2.540 244 A HA 0.743 5.063 4.320 -0.000 0.000 0.291 244 A C 1.178 178.737 177.584 -0.041 0.000 1.083 244 A CA -0.279 51.720 52.037 -0.062 0.000 0.650 244 A CB 0.321 19.241 19.000 -0.134 0.000 1.292 244 A HN 0.783 nan 8.150 nan 0.000 0.435 245 G N -0.635 108.137 108.800 -0.047 0.000 2.448 245 G HA2 0.351 4.311 3.960 -0.000 0.000 0.218 245 G HA3 0.351 4.311 3.960 -0.000 0.000 0.218 245 G C 0.676 175.558 174.900 -0.031 0.000 1.135 245 G CA 1.868 46.948 45.100 -0.033 0.000 0.784 245 G HN 1.730 nan 8.290 nan 0.000 0.543 246 T N -4.223 110.306 114.554 -0.042 0.000 2.896 246 T HA 0.307 4.657 4.350 -0.000 0.000 0.297 246 T C 0.939 175.606 174.700 -0.055 0.000 1.108 246 T CA -0.268 61.808 62.100 -0.040 0.000 1.004 246 T CB 1.399 70.244 68.868 -0.040 0.000 1.159 246 T HN -0.071 nan 8.240 nan 0.000 0.499 247 C N 0.871 120.141 119.300 -0.050 0.000 2.413 247 C HA -0.069 4.391 4.460 -0.000 0.000 0.276 247 C C 2.633 177.568 174.990 -0.092 0.000 1.248 247 C CA 1.174 60.149 59.018 -0.070 0.000 1.742 247 C CB -1.371 26.337 27.740 -0.054 0.000 2.017 247 C HN 1.044 nan 8.230 nan 0.000 0.481 248 E N 1.354 121.510 120.200 -0.074 0.000 2.049 248 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 248 E C 1.641 178.177 176.600 -0.107 0.000 1.007 248 E CA 1.818 58.172 56.400 -0.077 0.000 0.809 248 E CB -0.397 29.273 29.700 -0.050 0.000 0.749 248 E HN 0.568 nan 8.360 nan 0.000 0.450 249 D N -0.288 120.045 120.400 -0.112 0.000 2.117 249 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 249 D C 1.855 178.001 176.300 -0.257 0.000 0.987 249 D CA 0.910 54.810 54.000 -0.166 0.000 0.829 249 D CB -0.257 40.457 40.800 -0.143 0.000 0.961 249 D HN 0.165 nan 8.370 nan 0.000 0.460 250 M N -0.344 119.135 119.600 -0.202 0.000 2.086 250 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 250 M C 1.704 177.850 176.300 -0.257 0.000 1.067 250 M CA 1.292 56.463 55.300 -0.216 0.000 1.116 250 M CB 0.027 32.533 32.600 -0.156 0.000 1.348 250 M HN -0.083 nan 8.290 nan 0.000 0.407 251 M N 0.435 119.891 119.600 -0.241 0.000 2.159 251 M HA -0.180 4.300 4.480 -0.000 0.000 0.263 251 M C 1.898 178.036 176.300 -0.269 0.000 1.063 251 M CA 1.721 56.841 55.300 -0.300 0.000 1.110 251 M CB -1.214 31.239 32.600 -0.246 0.000 1.374 251 M HN 0.304 nan 8.290 nan 0.000 0.411 252 K N -0.152 120.122 120.400 -0.210 0.000 2.103 252 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 252 K C 2.095 178.580 176.600 -0.191 0.000 1.048 252 K CA 1.238 57.443 56.287 -0.136 0.000 0.930 252 K CB -0.111 32.341 32.500 -0.079 0.000 0.716 252 K HN 0.402 nan 8.250 nan 0.000 0.444 253 R N 0.131 120.352 120.500 -0.465 0.000 2.090 253 R HA 0.014 4.354 4.340 -0.000 0.000 0.228 253 R C 2.403 178.758 176.300 0.092 0.000 1.110 253 R CA 0.986 56.804 56.100 -0.471 0.000 0.973 253 R CB -0.294 29.571 30.300 -0.724 0.000 0.869 253 R HN 0.131 nan 8.270 nan 0.000 0.440 254 A N 1.256 124.049 122.820 -0.046 0.000 1.902 254 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 254 A C 2.408 180.052 177.584 0.100 0.000 1.181 254 A CA 1.303 53.344 52.037 0.006 0.000 0.623 254 A CB -0.597 18.261 19.000 -0.237 0.000 0.818 254 A HN 0.088 nan 8.150 nan 0.000 0.443 255 V N -1.193 118.714 119.914 -0.011 0.000 2.282 255 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 255 V C 2.306 178.591 176.094 0.318 0.000 1.057 255 V CA 2.347 64.748 62.300 0.169 0.000 1.032 255 V CB -0.931 30.953 31.823 0.101 0.000 0.645 255 V HN 0.635 nan 8.190 nan 0.000 0.447 256 F N 1.186 121.277 119.950 0.235 0.000 2.259 256 F HA 0.043 4.570 4.527 0.000 0.000 0.298 256 F C 2.223 178.232 175.800 0.350 0.000 1.088 256 F CA 0.768 58.954 58.000 0.310 0.000 1.358 256 F CB -0.609 38.645 39.000 0.422 0.000 1.040 256 F HN 0.064 nan 8.300 nan 0.000 0.505 257 A N 0.913 123.923 122.820 0.316 0.000 1.902 257 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 257 A C 2.464 180.082 177.584 0.057 0.000 1.181 257 A CA 1.466 53.569 52.037 0.109 0.000 0.623 257 A CB -0.789 18.284 19.000 0.122 0.000 0.818 257 A HN 0.296 nan 8.150 nan 0.000 0.443 258 R N 0.010 120.597 120.500 0.144 0.000 2.094 258 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 258 R C 2.144 178.494 176.300 0.083 0.000 1.137 258 R CA 2.163 58.344 56.100 0.135 0.000 0.943 258 R CB -0.734 29.702 30.300 0.226 0.000 0.850 258 R HN 0.791 nan 8.270 nan 0.000 0.433 259 E N 0.215 120.466 120.200 0.085 0.000 2.130 259 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 259 E C 1.995 178.579 176.600 -0.027 0.000 0.998 259 E CA 1.196 57.630 56.400 0.056 0.000 0.806 259 E CB -0.095 29.694 29.700 0.148 0.000 0.738 259 E HN 0.351 nan 8.360 nan 0.000 0.459 260 L N -0.579 120.561 121.223 -0.138 0.000 2.478 260 L HA 0.073 4.413 4.340 -0.000 0.000 0.223 260 L C 1.577 178.489 176.870 0.071 0.000 1.140 260 L CA 0.508 55.294 54.840 -0.090 0.000 0.842 260 L CB -0.074 41.858 42.059 -0.212 0.000 0.953 260 L HN 0.399 nan 8.230 nan 0.000 0.452 261 G N 0.612 109.450 108.800 0.063 0.000 2.153 261 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 261 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 261 G C 0.384 175.366 174.900 0.136 0.000 0.994 261 G CA 0.313 45.475 45.100 0.103 0.000 0.698 261 G HN 0.287 nan 8.290 nan 0.000 0.521 262 V N -2.401 117.559 119.914 0.076 0.000 2.953 262 V HA 0.742 4.862 4.120 -0.000 0.000 0.304 262 V C -0.071 176.037 176.094 0.024 0.000 1.073 262 V CA -0.878 61.437 62.300 0.025 0.000 1.064 262 V CB 1.287 33.075 31.823 -0.059 0.000 1.047 262 V HN 0.043 nan 8.190 nan 0.000 0.478 263 P HA 0.301 nan 4.420 nan 0.000 0.235 263 P C 0.072 177.362 177.300 -0.018 0.000 1.177 263 P CA 0.700 63.811 63.100 0.018 0.000 0.785 263 P CB 0.574 32.309 31.700 0.059 0.000 0.885 264 I N -0.062 120.493 120.570 -0.025 0.000 2.680 264 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 264 I C -1.032 175.029 176.117 -0.093 0.000 1.244 264 I CA -1.233 60.008 61.300 -0.098 0.000 1.042 264 I CB 2.401 40.292 38.000 -0.181 0.000 1.277 264 I HN -0.293 nan 8.210 nan 0.000 0.423 265 V N 4.445 124.293 119.914 -0.109 0.000 3.204 265 V HA 0.747 4.867 4.120 -0.000 0.000 0.316 265 V C -0.426 175.616 176.094 -0.087 0.000 1.160 265 V CA -0.780 61.473 62.300 -0.078 0.000 1.044 265 V CB 1.868 33.680 31.823 -0.018 0.000 1.136 265 V HN 0.903 nan 8.190 nan 0.000 0.455 266 M N 0.805 120.406 119.600 0.002 0.000 2.593 266 M HA 0.804 5.284 4.480 -0.000 0.000 0.290 266 M C -1.279 175.114 176.300 0.155 0.000 1.244 266 M CA -0.500 54.846 55.300 0.076 0.000 0.857 266 M CB 2.227 34.920 32.600 0.156 0.000 1.738 266 M HN 0.993 nan 8.290 nan 0.000 0.461 267 H N -0.255 118.841 119.070 0.043 0.000 2.974 267 H HA 0.466 5.022 4.556 -0.000 0.000 0.366 267 H C -1.982 173.391 175.328 0.075 0.000 1.155 267 H CA -0.484 55.583 56.048 0.031 0.000 1.186 267 H CB 1.821 31.584 29.762 0.003 0.000 1.799 267 H HN 0.774 nan 8.280 nan 0.000 0.541 268 D N 4.814 124.962 120.400 -0.420 0.000 2.441 268 D HA 0.011 4.651 4.640 -0.000 0.000 0.221 268 D C 0.697 176.672 176.300 -0.542 0.000 1.156 268 D CA -0.146 53.663 54.000 -0.317 0.000 0.896 268 D CB -0.077 40.582 40.800 -0.235 0.000 1.028 268 D HN 0.626 nan 8.370 nan 0.000 0.509 269 Y N 1.007 121.054 120.300 -0.422 0.000 2.373 269 Y HA 0.016 4.566 4.550 0.000 0.000 0.293 269 Y C 1.315 176.964 175.900 -0.417 0.000 1.129 269 Y CA 0.742 58.620 58.100 -0.369 0.000 1.226 269 Y CB -0.345 37.978 38.460 -0.227 0.000 1.000 269 Y HN 0.220 nan 8.280 nan 0.000 0.549 270 L N 0.401 121.155 121.223 -0.780 0.000 2.202 270 L HA -0.035 4.305 4.340 -0.000 0.000 0.205 270 L C 2.606 179.262 176.870 -0.357 0.000 1.083 270 L CA 1.396 55.825 54.840 -0.685 0.000 0.790 270 L CB -0.695 40.973 42.059 -0.651 0.000 0.942 270 L HN 0.405 nan 8.230 nan 0.000 0.452 271 T N -3.246 111.138 114.554 -0.282 0.000 2.896 271 T HA -0.023 4.327 4.350 -0.000 0.000 0.263 271 T C 1.932 176.536 174.700 -0.160 0.000 1.050 271 T CA 0.844 62.834 62.100 -0.183 0.000 1.140 271 T CB -0.669 68.113 68.868 -0.142 0.000 0.877 271 T HN 0.316 nan 8.240 nan 0.000 0.457 272 G N 1.606 110.277 108.800 -0.216 0.000 2.404 272 G HA2 0.390 4.350 3.960 -0.000 0.000 0.215 272 G HA3 0.390 4.350 3.960 -0.000 0.000 0.215 272 G C 0.901 175.784 174.900 -0.029 0.000 1.174 272 G CA 0.356 45.403 45.100 -0.088 0.000 0.780 272 G HN 1.268 nan 8.290 nan 0.000 0.537 273 G N -2.178 106.561 108.800 -0.103 0.000 2.555 273 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.686 273 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.686 273 G C 0.081 174.963 174.900 -0.029 0.000 1.275 273 G CA -0.097 44.944 45.100 -0.099 0.000 0.871 273 G HN 0.109 nan 8.290 nan 0.000 0.603 274 F N 0.444 120.441 119.950 0.079 0.000 2.187 274 F HA 0.089 4.616 4.527 -0.000 0.000 0.295 274 F C 3.125 178.944 175.800 0.032 0.000 1.091 274 F CA 2.150 60.195 58.000 0.074 0.000 1.308 274 F CB -0.552 38.463 39.000 0.026 0.000 1.030 274 F HN 0.556 nan 8.300 nan 0.000 0.487 275 T N 0.025 114.698 114.554 0.198 0.000 2.635 275 T HA -0.258 4.092 4.350 -0.000 0.000 0.267 275 T C 2.284 177.006 174.700 0.038 0.000 1.040 275 T CA 1.655 63.810 62.100 0.091 0.000 1.156 275 T CB -0.749 68.161 68.868 0.070 0.000 0.863 275 T HN 0.268 nan 8.240 nan 0.000 0.430 276 A N 1.819 124.662 122.820 0.038 0.000 1.930 276 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 276 A C 2.258 179.795 177.584 -0.079 0.000 1.175 276 A CA 1.595 53.623 52.037 -0.016 0.000 0.627 276 A CB -0.716 18.294 19.000 0.017 0.000 0.815 276 A HN 0.556 nan 8.150 nan 0.000 0.443 277 N N -0.454 118.261 118.700 0.025 0.000 2.188 277 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 277 N C 1.520 176.987 175.510 -0.072 0.000 1.018 277 N CA 1.876 54.915 53.050 -0.018 0.000 0.858 277 N CB -0.115 38.493 38.487 0.202 0.000 0.989 277 N HN 0.429 nan 8.380 nan 0.000 0.426 278 T N -0.021 114.502 114.554 -0.051 0.000 2.737 278 T HA -0.080 4.270 4.350 -0.000 0.000 0.265 278 T C 1.832 176.282 174.700 -0.417 0.000 1.038 278 T CA 1.674 63.644 62.100 -0.217 0.000 1.144 278 T CB -0.746 68.025 68.868 -0.161 0.000 0.866 278 T HN 0.275 nan 8.240 nan 0.000 0.434 279 T N 2.380 116.786 114.554 -0.247 0.000 2.649 279 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 279 T C 1.845 176.479 174.700 -0.110 0.000 1.036 279 T CA 1.446 63.449 62.100 -0.161 0.000 1.157 279 T CB -0.484 68.327 68.868 -0.095 0.000 0.861 279 T HN 0.185 nan 8.240 nan 0.000 0.445 280 L N 0.454 121.588 121.223 -0.149 0.000 2.209 280 L HA 0.216 4.556 4.340 -0.000 0.000 0.207 280 L C 2.536 179.400 176.870 -0.010 0.000 1.094 280 L CA 1.526 56.304 54.840 -0.102 0.000 0.790 280 L CB -0.772 41.120 42.059 -0.278 0.000 0.932 280 L HN 0.154 nan 8.230 nan 0.000 0.447 281 S N -1.036 114.626 115.700 -0.064 0.000 2.356 281 S HA -0.236 4.234 4.470 -0.000 0.000 0.223 281 S C 2.076 176.743 174.600 0.112 0.000 1.032 281 S CA 1.449 59.646 58.200 -0.005 0.000 1.005 281 S CB -0.425 62.754 63.200 -0.035 0.000 0.867 281 S HN 0.682 nan 8.310 nan 0.000 0.449 282 H N -0.709 118.365 119.070 0.008 0.000 2.387 282 H HA -0.041 4.515 4.556 -0.000 0.000 0.299 282 H C 1.797 177.136 175.328 0.018 0.000 1.090 282 H CA 1.594 57.643 56.048 0.001 0.000 1.332 282 H CB -1.098 28.668 29.762 0.007 0.000 1.386 282 H HN 0.639 nan 8.280 nan 0.000 0.516 283 Y N 0.694 121.039 120.300 0.075 0.000 2.181 283 Y HA -0.234 4.316 4.550 0.000 0.000 0.288 283 Y C 2.503 178.420 175.900 0.029 0.000 1.146 283 Y CA 1.356 59.477 58.100 0.035 0.000 1.164 283 Y CB -0.543 37.921 38.460 0.005 0.000 0.982 283 Y HN 0.142 nan 8.280 nan 0.000 0.515 284 C N 0.124 119.491 119.300 0.113 0.000 2.440 284 C HA -0.111 4.349 4.460 -0.000 0.000 0.278 284 C C 2.715 177.691 174.990 -0.024 0.000 1.295 284 C CA 1.292 60.339 59.018 0.048 0.000 1.738 284 C CB -1.211 26.585 27.740 0.093 0.000 1.987 284 C HN 0.562 nan 8.230 nan 0.000 0.492 285 R N 2.005 122.455 120.500 -0.083 0.000 2.073 285 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 285 R C 1.471 177.700 176.300 -0.119 0.000 1.134 285 R CA 2.006 58.006 56.100 -0.167 0.000 0.952 285 R CB -0.962 29.249 30.300 -0.148 0.000 0.850 285 R HN 0.421 nan 8.270 nan 0.000 0.433 286 D N -0.210 120.105 120.400 -0.142 0.000 2.309 286 D HA -0.091 4.549 4.640 -0.000 0.000 0.212 286 D C 0.381 176.557 176.300 -0.205 0.000 0.968 286 D CA 0.958 54.858 54.000 -0.167 0.000 0.882 286 D CB -0.020 40.672 40.800 -0.181 0.000 0.918 286 D HN 0.350 nan 8.370 nan 0.000 0.503 287 N N -0.959 117.595 118.700 -0.243 0.000 2.194 287 N HA 0.124 4.864 4.740 -0.000 0.000 0.231 287 N C 0.746 176.220 175.510 -0.060 0.000 1.247 287 N CA 0.328 53.246 53.050 -0.220 0.000 0.884 287 N CB 1.756 39.954 38.487 -0.483 0.000 1.146 287 N HN 0.055 nan 8.380 nan 0.000 0.516 288 G N 1.614 110.442 108.800 0.047 0.000 2.225 288 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.267 288 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.267 288 G C -0.087 174.840 174.900 0.046 0.000 1.024 288 G CA 0.253 45.425 45.100 0.120 0.000 0.784 288 G HN 0.273 nan 8.290 nan 0.000 0.507 289 L N 0.339 121.636 121.223 0.124 0.000 2.276 289 L HA 0.417 4.757 4.340 -0.000 0.000 0.286 289 L C 0.800 177.717 176.870 0.079 0.000 1.061 289 L CA -1.405 53.470 54.840 0.058 0.000 0.807 289 L CB 0.972 43.080 42.059 0.082 0.000 1.177 289 L HN -0.061 nan 8.230 nan 0.000 0.429 290 L N 4.113 125.286 121.223 -0.084 0.000 2.525 290 L HA 0.016 4.356 4.340 -0.000 0.000 0.278 290 L C -0.072 176.726 176.870 -0.119 0.000 1.218 290 L CA 0.415 55.205 54.840 -0.084 0.000 0.878 290 L CB 0.323 42.264 42.059 -0.196 0.000 1.127 290 L HN 0.382 nan 8.230 nan 0.000 0.492 291 L N 4.327 125.474 121.223 -0.127 0.000 2.324 291 L HA 0.321 4.661 4.340 -0.000 0.000 0.274 291 L C -0.341 176.356 176.870 -0.289 0.000 1.012 291 L CA -0.400 54.343 54.840 -0.161 0.000 0.859 291 L CB 0.690 42.708 42.059 -0.067 0.000 1.224 291 L HN 0.620 nan 8.230 nan 0.000 0.429 292 H N 5.257 124.009 119.070 -0.530 0.000 2.690 292 H HA 0.488 5.044 4.556 -0.000 0.000 0.314 292 H C -0.760 174.452 175.328 -0.193 0.000 1.069 292 H CA -0.277 55.432 56.048 -0.565 0.000 1.436 292 H CB 0.617 29.765 29.762 -1.023 0.000 1.462 292 H HN 0.498 nan 8.280 nan 0.000 0.511 293 I N 5.903 126.170 120.570 -0.506 0.000 2.378 293 I HA 0.123 4.293 4.170 -0.000 0.000 0.291 293 I C -0.006 175.983 176.117 -0.212 0.000 0.992 293 I CA -0.463 60.688 61.300 -0.249 0.000 1.154 293 I CB 1.098 38.936 38.000 -0.270 0.000 1.315 293 I HN 0.739 nan 8.210 nan 0.000 0.448 294 H N 7.490 126.508 119.070 -0.088 0.000 2.458 294 H HA 0.353 4.909 4.556 0.000 0.000 0.330 294 H C 0.208 175.511 175.328 -0.043 0.000 1.111 294 H CA -0.492 55.462 56.048 -0.156 0.000 1.245 294 H CB 1.552 31.247 29.762 -0.113 0.000 1.456 294 H HN 0.608 nan 8.280 nan 0.000 0.488 295 R N 3.151 123.450 120.500 -0.334 0.000 2.586 295 R HA 0.420 4.760 4.340 -0.000 0.000 0.306 295 R C 0.135 176.402 176.300 -0.055 0.000 1.079 295 R CA -0.455 55.605 56.100 -0.067 0.000 1.083 295 R CB -0.009 30.210 30.300 -0.136 0.000 1.306 295 R HN 0.377 nan 8.270 nan 0.000 0.567 296 A N 1.545 124.435 122.820 0.116 0.000 2.603 296 A HA 0.012 4.332 4.320 -0.000 0.000 0.235 296 A C 0.997 178.584 177.584 0.005 0.000 1.035 296 A CA 1.013 53.134 52.037 0.140 0.000 0.755 296 A CB -0.150 18.944 19.000 0.156 0.000 0.954 296 A HN 0.849 nan 8.150 nan 0.000 0.511 297 M N 0.013 119.611 119.600 -0.003 0.000 2.983 297 M HA -0.310 4.170 4.480 -0.000 0.000 0.203 297 M C 1.135 177.394 176.300 -0.068 0.000 0.601 297 M CA 1.915 57.177 55.300 -0.063 0.000 0.778 297 M CB -2.015 30.527 32.600 -0.097 0.000 2.782 297 M HN 1.273 nan 8.290 nan 0.000 0.290 298 H N -0.766 118.228 119.070 -0.126 0.000 2.319 298 H HA 0.135 4.691 4.556 0.000 0.000 0.297 298 H C 1.759 177.037 175.328 -0.083 0.000 1.097 298 H CA 2.093 58.088 56.048 -0.088 0.000 1.285 298 H CB -0.623 29.110 29.762 -0.047 0.000 1.368 298 H HN 0.500 nan 8.280 nan 0.000 0.495 299 A N 1.256 123.548 122.820 -0.881 0.000 2.070 299 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 299 A C 2.571 179.985 177.584 -0.282 0.000 1.159 299 A CA 1.297 52.952 52.037 -0.638 0.000 0.656 299 A CB -0.894 17.716 19.000 -0.650 0.000 0.800 299 A HN 0.375 nan 8.150 nan 0.000 0.453 300 V N -0.300 119.492 119.914 -0.202 0.000 2.380 300 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 300 V C 2.259 178.302 176.094 -0.085 0.000 1.063 300 V CA 2.351 64.580 62.300 -0.118 0.000 1.055 300 V CB -0.551 31.215 31.823 -0.095 0.000 0.657 300 V HN 0.626 nan 8.190 nan 0.000 0.455 301 I N 0.352 120.870 120.570 -0.088 0.000 2.927 301 I HA -0.017 4.153 4.170 -0.000 0.000 0.268 301 I C 1.731 177.825 176.117 -0.039 0.000 1.153 301 I CA 1.095 62.360 61.300 -0.059 0.000 1.459 301 I CB -0.080 37.881 38.000 -0.065 0.000 1.149 301 I HN 0.459 nan 8.210 nan 0.000 0.443 302 D N -0.483 119.882 120.400 -0.059 0.000 2.433 302 D HA -0.032 4.608 4.640 -0.000 0.000 0.211 302 D C 1.856 178.120 176.300 -0.060 0.000 1.114 302 D CA 0.011 53.984 54.000 -0.045 0.000 0.837 302 D CB 0.031 40.830 40.800 -0.002 0.000 0.984 302 D HN -0.072 nan 8.370 nan 0.000 0.505 303 R N 0.285 120.744 120.500 -0.069 0.000 2.062 303 R HA 0.054 4.394 4.340 -0.000 0.000 0.229 303 R C 0.422 176.727 176.300 0.007 0.000 1.128 303 R CA 1.201 57.267 56.100 -0.057 0.000 0.960 303 R CB -0.188 30.062 30.300 -0.083 0.000 0.855 303 R HN 0.049 nan 8.270 nan 0.000 0.432 304 Q N 0.595 120.415 119.800 0.032 0.000 2.261 304 Q HA 0.065 4.405 4.340 -0.000 0.000 0.252 304 Q C 0.158 176.217 176.000 0.099 0.000 0.915 304 Q CA 0.029 55.870 55.803 0.063 0.000 0.915 304 Q CB 1.552 30.331 28.738 0.069 0.000 1.204 304 Q HN 0.163 nan 8.270 nan 0.000 0.421 305 K N 2.318 122.778 120.400 0.100 0.000 2.211 305 K HA -0.130 4.190 4.320 -0.000 0.000 0.203 305 K C 1.179 177.845 176.600 0.111 0.000 1.050 305 K CA 1.301 57.657 56.287 0.115 0.000 0.945 305 K CB 0.337 32.897 32.500 0.100 0.000 0.732 305 K HN 0.568 nan 8.250 nan 0.000 0.451 306 N N -0.775 117.994 118.700 0.114 0.000 2.416 306 N HA -0.118 4.622 4.740 -0.000 0.000 0.177 306 N C -0.206 175.417 175.510 0.188 0.000 1.036 306 N CA 0.788 53.913 53.050 0.125 0.000 0.901 306 N CB 0.007 38.561 38.487 0.111 0.000 0.976 306 N HN 0.233 nan 8.380 nan 0.000 0.444 307 H N -1.525 117.604 119.070 0.099 0.000 3.029 307 H HA 0.538 5.094 4.556 0.000 0.000 0.358 307 H C 0.163 175.582 175.328 0.151 0.000 1.129 307 H CA 0.350 56.485 56.048 0.146 0.000 1.230 307 H CB 1.452 31.285 29.762 0.119 0.000 1.827 307 H HN 0.315 nan 8.280 nan 0.000 0.530 308 G N 2.449 111.248 108.800 -0.002 0.000 2.395 308 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.201 308 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.201 308 G C -1.371 173.547 174.900 0.030 0.000 1.206 308 G CA -0.297 44.819 45.100 0.026 0.000 1.210 308 G HN 0.658 nan 8.290 nan 0.000 0.557 309 M N 0.715 120.306 119.600 -0.016 0.000 2.277 309 M HA 0.373 4.853 4.480 -0.000 0.000 0.282 309 M C -0.340 175.977 176.300 0.029 0.000 1.074 309 M CA -0.764 54.520 55.300 -0.027 0.000 0.954 309 M CB 2.414 34.914 32.600 -0.166 0.000 1.672 309 M HN 0.778 nan 8.290 nan 0.000 0.471 310 H N 1.775 120.845 119.070 0.001 0.000 2.757 310 H HA 0.086 4.642 4.556 0.000 0.000 0.370 310 H C 0.094 175.473 175.328 0.085 0.000 1.172 310 H CA 0.803 56.890 56.048 0.064 0.000 1.426 310 H CB 0.875 30.673 29.762 0.060 0.000 1.438 310 H HN 0.795 nan 8.280 nan 0.000 0.612 311 F N 4.055 123.676 119.950 -0.548 0.000 2.269 311 F HA -0.164 4.363 4.527 -0.000 0.000 0.301 311 F C 2.602 178.318 175.800 -0.140 0.000 1.082 311 F CA 1.498 59.316 58.000 -0.304 0.000 1.360 311 F CB -0.143 38.576 39.000 -0.468 0.000 1.041 311 F HN 0.652 nan 8.300 nan 0.000 0.512 312 R N -0.260 120.283 120.500 0.072 0.000 2.105 312 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 312 R C 1.833 178.088 176.300 -0.074 0.000 1.135 312 R CA 1.980 58.069 56.100 -0.020 0.000 0.967 312 R CB -1.538 28.925 30.300 0.272 0.000 0.861 312 R HN 0.279 nan 8.270 nan 0.000 0.442 313 V N 2.143 122.060 119.914 0.005 0.000 2.307 313 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 313 V C 2.539 178.674 176.094 0.070 0.000 1.045 313 V CA 1.677 63.997 62.300 0.034 0.000 1.024 313 V CB -0.458 31.371 31.823 0.010 0.000 0.651 313 V HN 0.281 nan 8.190 nan 0.000 0.449 314 L N 0.143 121.364 121.223 -0.004 0.000 2.131 314 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 314 L C 2.676 179.510 176.870 -0.059 0.000 1.092 314 L CA 1.428 56.346 54.840 0.130 0.000 0.759 314 L CB -0.813 41.325 42.059 0.132 0.000 0.903 314 L HN 0.365 nan 8.230 nan 0.000 0.435 315 A N 0.166 122.662 122.820 -0.540 0.000 1.897 315 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 315 A C 2.355 179.827 177.584 -0.186 0.000 1.181 315 A CA 1.321 53.040 52.037 -0.529 0.000 0.620 315 A CB -0.247 18.270 19.000 -0.805 0.000 0.821 315 A HN 0.274 nan 8.150 nan 0.000 0.443 316 K N -0.216 120.153 120.400 -0.053 0.000 2.057 316 K HA -0.060 4.260 4.320 -0.000 0.000 0.207 316 K C 2.293 178.912 176.600 0.030 0.000 1.049 316 K CA 1.077 57.433 56.287 0.115 0.000 0.931 316 K CB -0.305 32.315 32.500 0.200 0.000 0.714 316 K HN 0.436 nan 8.250 nan 0.000 0.440 317 A N 1.807 124.631 122.820 0.006 0.000 1.902 317 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 317 A C 2.045 179.617 177.584 -0.020 0.000 1.181 317 A CA 1.057 53.022 52.037 -0.121 0.000 0.623 317 A CB -0.592 18.327 19.000 -0.135 0.000 0.818 317 A HN 0.249 nan 8.150 nan 0.000 0.443 318 L N -0.389 120.863 121.223 0.048 0.000 2.046 318 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 318 L C 2.500 179.266 176.870 -0.174 0.000 1.077 318 L CA 2.339 57.094 54.840 -0.141 0.000 0.747 318 L CB -0.779 40.959 42.059 -0.535 0.000 0.896 318 L HN 0.532 nan 8.230 nan 0.000 0.432 319 R N -0.516 119.867 120.500 -0.194 0.000 2.096 319 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 319 R C 2.381 178.567 176.300 -0.190 0.000 1.127 319 R CA 1.253 57.198 56.100 -0.259 0.000 0.968 319 R CB -0.045 29.969 30.300 -0.477 0.000 0.861 319 R HN 0.398 nan 8.270 nan 0.000 0.440 320 L N -0.806 120.303 121.223 -0.189 0.000 2.007 320 L HA -0.118 4.222 4.340 -0.000 0.000 0.205 320 L C 2.590 179.429 176.870 -0.051 0.000 1.073 320 L CA 1.346 56.001 54.840 -0.310 0.000 0.744 320 L CB -0.696 40.827 42.059 -0.894 0.000 0.898 320 L HN 0.231 nan 8.230 nan 0.000 0.435 321 S N -0.835 114.863 115.700 -0.004 0.000 2.359 321 S HA -0.040 4.430 4.470 -0.000 0.000 0.222 321 S C 0.822 175.461 174.600 0.066 0.000 1.038 321 S CA 1.346 59.618 58.200 0.120 0.000 1.051 321 S CB -0.323 63.004 63.200 0.212 0.000 0.944 321 S HN 0.629 nan 8.310 nan 0.000 0.433 322 G N -1.906 106.890 108.800 -0.007 0.000 2.397 322 G HA2 0.447 4.407 3.960 -0.000 0.000 0.453 322 G HA3 0.447 4.407 3.960 -0.000 0.000 0.453 322 G C -0.422 174.425 174.900 -0.089 0.000 1.579 322 G CA -0.359 44.716 45.100 -0.041 0.000 0.906 322 G HN 1.072 nan 8.290 nan 0.000 0.675 323 G N 0.117 108.847 108.800 -0.116 0.000 2.655 323 G HA2 0.587 4.547 3.960 -0.000 0.000 0.296 323 G HA3 0.587 4.547 3.960 -0.000 0.000 0.296 323 G C -0.229 174.606 174.900 -0.108 0.000 1.485 323 G CA 0.145 45.166 45.100 -0.132 0.000 0.869 323 G HN 0.388 nan 8.290 nan 0.000 0.540 324 D N -0.407 119.939 120.400 -0.090 0.000 2.301 324 D HA 0.084 4.724 4.640 -0.000 0.000 0.206 324 D C 0.335 176.690 176.300 0.091 0.000 0.979 324 D CA 1.013 55.005 54.000 -0.013 0.000 0.874 324 D CB 0.358 41.157 40.800 -0.001 0.000 0.968 324 D HN 0.572 nan 8.370 nan 0.000 0.510 325 H N -0.609 118.347 119.070 -0.191 0.000 2.622 325 H HA 0.622 5.178 4.556 0.000 0.000 0.363 325 H C -0.678 174.463 175.328 -0.312 0.000 1.151 325 H CA -0.808 55.098 56.048 -0.236 0.000 1.184 325 H CB 3.033 32.641 29.762 -0.258 0.000 1.643 325 H HN -0.124 nan 8.280 nan 0.000 0.531 326 I N 1.374 121.868 120.570 -0.125 0.000 2.722 326 I HA 0.168 4.338 4.170 -0.000 0.000 0.295 326 I C -0.571 175.507 176.117 -0.065 0.000 1.161 326 I CA -0.671 60.550 61.300 -0.133 0.000 1.032 326 I CB 2.116 40.051 38.000 -0.108 0.000 1.244 326 I HN 0.677 nan 8.210 nan 0.000 0.421 327 H N 4.720 123.670 119.070 -0.199 0.000 2.886 327 H HA 0.103 4.659 4.556 0.000 0.000 0.329 327 H C 0.507 175.751 175.328 -0.140 0.000 1.044 327 H CA 0.554 56.485 56.048 -0.195 0.000 1.456 327 H CB 1.096 30.674 29.762 -0.307 0.000 1.464 327 H HN 0.644 nan 8.280 nan 0.000 0.573 328 S N 1.930 117.627 115.700 -0.005 0.000 2.603 328 S HA 0.299 4.769 4.470 -0.000 0.000 0.232 328 S C 0.964 175.681 174.600 0.195 0.000 1.016 328 S CA 0.082 58.405 58.200 0.204 0.000 0.976 328 S CB 1.011 64.402 63.200 0.318 0.000 0.921 328 S HN 1.054 nan 8.310 nan 0.000 0.516 329 G N 1.137 109.943 108.800 0.011 0.000 2.707 329 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.686 329 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.686 329 G C 0.249 175.190 174.900 0.070 0.000 1.315 329 G CA 0.071 45.191 45.100 0.033 0.000 0.832 329 G HN 0.936 nan 8.290 nan 0.000 0.573 330 T N -2.901 111.678 114.554 0.041 0.000 2.971 330 T HA 0.447 4.797 4.350 -0.000 0.000 0.252 330 T C 1.892 176.661 174.700 0.114 0.000 1.022 330 T CA 1.370 63.513 62.100 0.071 0.000 0.980 330 T CB 0.406 69.207 68.868 -0.111 0.000 1.044 330 T HN 2.279 nan 8.240 nan 0.000 0.501 331 V N 0.887 120.840 119.914 0.066 0.000 0.516 331 V HA -0.344 3.776 4.120 -0.000 0.000 0.092 331 V C 2.122 178.225 176.094 0.015 0.000 2.243 331 V CA 2.047 64.367 62.300 0.033 0.000 3.573 331 V CB -2.003 29.820 31.823 0.001 0.000 0.862 331 V HN 0.691 nan 8.190 nan 0.000 0.902 332 V N -0.963 118.937 119.914 -0.023 0.000 3.608 332 V HA 0.632 4.752 4.120 -0.000 0.000 0.269 332 V C 1.279 177.306 176.094 -0.112 0.000 1.245 332 V CA 1.526 63.807 62.300 -0.033 0.000 1.138 332 V CB -0.195 31.602 31.823 -0.043 0.000 0.841 332 V HN 0.937 nan 8.190 nan 0.000 0.451 333 G N 1.362 110.036 108.800 -0.209 0.000 2.773 333 G HA2 0.291 4.251 3.960 -0.000 0.000 0.186 333 G HA3 0.291 4.251 3.960 -0.000 0.000 0.186 333 G C 0.742 175.365 174.900 -0.462 0.000 1.411 333 G CA 0.081 44.967 45.100 -0.356 0.000 1.054 333 G HN 0.450 nan 8.290 nan 0.000 0.579 334 K N -1.031 118.913 120.400 -0.760 0.000 2.400 334 K HA 0.244 4.564 4.320 -0.000 0.000 0.194 334 K C 0.259 176.669 176.600 -0.315 0.000 1.033 334 K CA 0.234 56.023 56.287 -0.830 0.000 1.021 334 K CB -0.135 31.835 32.500 -0.884 0.000 0.808 334 K HN 0.232 nan 8.250 nan 0.000 0.505 335 L N 1.503 122.595 121.223 -0.218 0.000 2.322 335 L HA 0.357 4.697 4.340 -0.000 0.000 0.269 335 L C -0.093 176.740 176.870 -0.062 0.000 1.012 335 L CA -1.138 53.628 54.840 -0.124 0.000 0.815 335 L CB 1.832 43.831 42.059 -0.101 0.000 1.295 335 L HN 0.082 nan 8.230 nan 0.000 0.438 336 E N 0.410 120.587 120.200 -0.038 0.000 2.373 336 E HA 0.471 4.821 4.350 -0.000 0.000 0.267 336 E C -0.469 176.156 176.600 0.041 0.000 1.032 336 E CA -0.062 56.343 56.400 0.008 0.000 0.889 336 E CB 0.939 30.642 29.700 0.006 0.000 0.984 336 E HN 0.741 nan 8.360 nan 0.000 0.425 337 G N 3.729 112.570 108.800 0.069 0.000 2.378 337 G HA2 0.056 4.016 3.960 -0.000 0.000 0.306 337 G HA3 0.056 4.016 3.960 -0.000 0.000 0.306 337 G C -1.266 173.685 174.900 0.085 0.000 1.413 337 G CA -0.739 44.425 45.100 0.107 0.000 1.123 337 G HN 0.383 nan 8.290 nan 0.000 0.587 338 E N 1.712 121.970 120.200 0.097 0.000 2.313 338 E HA 0.182 4.532 4.350 -0.000 0.000 0.276 338 E C 1.386 177.990 176.600 0.007 0.000 1.031 338 E CA -0.635 55.801 56.400 0.060 0.000 0.857 338 E CB 2.151 31.899 29.700 0.081 0.000 1.040 338 E HN 0.666 nan 8.360 nan 0.000 0.408 339 R N 2.485 122.970 120.500 -0.024 0.000 2.112 339 R HA -0.215 4.125 4.340 -0.000 0.000 0.242 339 R C 0.757 176.994 176.300 -0.105 0.000 1.137 339 R CA 2.017 58.068 56.100 -0.082 0.000 0.944 339 R CB 0.167 30.426 30.300 -0.068 0.000 0.857 339 R HN 0.437 nan 8.270 nan 0.000 0.435 340 D N 0.029 120.392 120.400 -0.061 0.000 2.123 340 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 340 D C 1.973 178.232 176.300 -0.069 0.000 0.976 340 D CA 0.993 54.955 54.000 -0.064 0.000 0.831 340 D CB -0.139 40.642 40.800 -0.033 0.000 0.974 340 D HN 0.320 nan 8.370 nan 0.000 0.469 341 I N 0.849 121.405 120.570 -0.022 0.000 2.361 341 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 341 I C 2.165 178.165 176.117 -0.196 0.000 1.133 341 I CA 1.012 62.330 61.300 0.029 0.000 1.413 341 I CB -0.119 37.998 38.000 0.195 0.000 1.073 341 I HN -0.019 nan 8.210 nan 0.000 0.424 342 T N 0.697 115.026 114.554 -0.375 0.000 2.809 342 T HA -0.057 4.293 4.350 -0.000 0.000 0.260 342 T C 1.828 176.095 174.700 -0.722 0.000 1.039 342 T CA 0.771 62.343 62.100 -0.881 0.000 1.141 342 T CB -0.093 68.535 68.868 -0.400 0.000 0.869 342 T HN 0.051 nan 8.240 nan 0.000 0.437 343 L N 1.511 122.506 121.223 -0.381 0.000 2.079 343 L HA 0.040 4.380 4.340 -0.000 0.000 0.210 343 L C 2.703 179.473 176.870 -0.167 0.000 1.081 343 L CA 1.571 56.260 54.840 -0.251 0.000 0.752 343 L CB -1.589 40.359 42.059 -0.184 0.000 0.896 343 L HN 0.352 nan 8.230 nan 0.000 0.433 344 G N -0.337 108.376 108.800 -0.146 0.000 2.433 344 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.216 344 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.216 344 G C 1.375 176.318 174.900 0.072 0.000 1.186 344 G CA 1.002 46.090 45.100 -0.020 0.000 0.779 344 G HN 0.477 nan 8.290 nan 0.000 0.543 345 F N 0.515 120.547 119.950 0.137 0.000 2.615 345 F HA 0.308 4.835 4.527 0.000 0.000 0.297 345 F C 2.122 178.003 175.800 0.135 0.000 1.124 345 F CA -0.197 57.895 58.000 0.153 0.000 1.451 345 F CB -0.808 38.319 39.000 0.211 0.000 1.103 345 F HN -0.010 nan 8.300 nan 0.000 0.569 346 V N 1.384 121.373 119.914 0.126 0.000 2.307 346 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 346 V C 2.136 178.302 176.094 0.121 0.000 1.045 346 V CA 2.325 64.725 62.300 0.166 0.000 1.024 346 V CB -0.662 31.217 31.823 0.094 0.000 0.651 346 V HN 0.220 nan 8.190 nan 0.000 0.449 347 D N 0.153 120.603 120.400 0.082 0.000 2.117 347 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 347 D C 2.094 178.470 176.300 0.126 0.000 0.987 347 D CA 1.167 55.219 54.000 0.086 0.000 0.829 347 D CB -0.310 40.531 40.800 0.068 0.000 0.961 347 D HN 0.330 nan 8.370 nan 0.000 0.460 348 L N 0.053 121.385 121.223 0.182 0.000 2.265 348 L HA -0.129 4.211 4.340 -0.000 0.000 0.215 348 L C 2.291 179.228 176.870 0.111 0.000 1.117 348 L CA 0.513 55.509 54.840 0.260 0.000 0.782 348 L CB -0.167 42.075 42.059 0.304 0.000 0.914 348 L HN 0.066 nan 8.230 nan 0.000 0.441 349 L N -1.269 119.973 121.223 0.030 0.000 2.249 349 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 349 L C 2.537 179.299 176.870 -0.180 0.000 1.090 349 L CA 0.686 55.456 54.840 -0.117 0.000 0.802 349 L CB -0.123 41.939 42.059 0.005 0.000 0.947 349 L HN 0.131 nan 8.230 nan 0.000 0.453 350 R N -1.026 119.430 120.500 -0.074 0.000 2.237 350 R HA 0.114 4.454 4.340 -0.000 0.000 0.195 350 R C -0.251 176.021 176.300 -0.046 0.000 0.956 350 R CA 0.116 56.183 56.100 -0.055 0.000 1.029 350 R CB 0.358 30.665 30.300 0.011 0.000 0.972 350 R HN 0.215 nan 8.270 nan 0.000 0.493 351 D N -0.191 120.204 120.400 -0.009 0.000 2.326 351 D HA 0.041 4.681 4.640 -0.000 0.000 0.248 351 D C 0.028 176.417 176.300 0.149 0.000 1.001 351 D CA -0.362 53.686 54.000 0.079 0.000 0.961 351 D CB 1.482 42.360 40.800 0.131 0.000 1.183 351 D HN -0.183 nan 8.370 nan 0.000 0.502 352 D N -1.208 119.324 120.400 0.221 0.000 2.323 352 D HA -0.065 4.575 4.640 -0.000 0.000 0.209 352 D C -0.720 175.863 176.300 0.471 0.000 0.973 352 D CA 0.501 54.702 54.000 0.334 0.000 0.874 352 D CB 0.259 41.193 40.800 0.223 0.000 0.930 352 D HN 0.274 nan 8.370 nan 0.000 0.521 353 Y N -0.547 119.893 120.300 0.234 0.000 2.399 353 Y HA 0.407 4.957 4.550 0.000 0.000 0.327 353 Y C -1.613 174.377 175.900 0.150 0.000 1.111 353 Y CA -0.779 57.420 58.100 0.164 0.000 1.047 353 Y CB 1.694 40.213 38.460 0.098 0.000 1.259 353 Y HN -0.309 nan 8.280 nan 0.000 0.434 354 T N 5.604 119.931 114.554 -0.378 0.000 2.881 354 T HA 0.250 4.600 4.350 -0.000 0.000 0.291 354 T C -0.982 173.445 174.700 -0.455 0.000 0.990 354 T CA -0.738 61.195 62.100 -0.277 0.000 0.976 354 T CB 1.449 70.304 68.868 -0.022 0.000 0.970 354 T HN 0.650 nan 8.240 nan 0.000 0.438 355 E N 2.223 122.214 120.200 -0.349 0.000 2.354 355 E HA 0.172 4.522 4.350 -0.000 0.000 0.269 355 E C 0.214 176.760 176.600 -0.090 0.000 1.036 355 E CA -0.636 55.632 56.400 -0.220 0.000 0.876 355 E CB 0.700 30.361 29.700 -0.065 0.000 1.009 355 E HN 0.430 nan 8.360 nan 0.000 0.416 356 K N 2.893 123.265 120.400 -0.047 0.000 2.513 356 K HA -0.188 4.132 4.320 -0.000 0.000 0.275 356 K C -0.943 175.633 176.600 -0.040 0.000 1.025 356 K CA 0.903 57.176 56.287 -0.023 0.000 1.125 356 K CB 0.225 32.718 32.500 -0.011 0.000 0.843 356 K HN 0.372 nan 8.250 nan 0.000 0.486 357 D N 4.218 124.585 120.400 -0.055 0.000 2.445 357 D HA 0.145 4.785 4.640 -0.000 0.000 0.236 357 D C 0.254 176.494 176.300 -0.099 0.000 1.315 357 D CA -0.491 53.472 54.000 -0.061 0.000 0.924 357 D CB 0.504 41.283 40.800 -0.035 0.000 1.447 357 D HN 0.485 nan 8.370 nan 0.000 0.532 358 R N 0.642 121.052 120.500 -0.151 0.000 2.193 358 R HA -0.068 4.272 4.340 -0.000 0.000 0.229 358 R C 1.857 178.064 176.300 -0.156 0.000 1.110 358 R CA 1.164 57.120 56.100 -0.239 0.000 0.988 358 R CB -0.525 29.615 30.300 -0.266 0.000 0.871 358 R HN 0.504 nan 8.270 nan 0.000 0.458 359 S N 0.283 115.927 115.700 -0.094 0.000 2.447 359 S HA -0.068 4.402 4.470 -0.000 0.000 0.233 359 S C 1.540 176.113 174.600 -0.046 0.000 1.006 359 S CA 0.629 58.792 58.200 -0.061 0.000 0.957 359 S CB -0.020 63.154 63.200 -0.043 0.000 0.773 359 S HN 0.276 nan 8.310 nan 0.000 0.507 360 R N 0.457 120.930 120.500 -0.045 0.000 2.507 360 R HA 0.335 4.675 4.340 -0.000 0.000 0.298 360 R C 1.206 177.504 176.300 -0.004 0.000 0.999 360 R CA 0.304 56.391 56.100 -0.023 0.000 1.082 360 R CB 0.161 30.448 30.300 -0.023 0.000 1.246 360 R HN 0.532 nan 8.270 nan 0.000 0.553 361 G N 1.732 110.511 108.800 -0.035 0.000 2.143 361 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 361 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 361 G C 0.141 175.103 174.900 0.102 0.000 0.991 361 G CA -0.158 44.946 45.100 0.007 0.000 0.689 361 G HN 0.304 nan 8.290 nan 0.000 0.522 362 I N 0.914 121.505 120.570 0.034 0.000 2.281 362 I HA 0.293 4.463 4.170 -0.000 0.000 0.293 362 I C 1.303 177.432 176.117 0.020 0.000 1.085 362 I CA -0.890 60.465 61.300 0.091 0.000 1.257 362 I CB 0.317 38.350 38.000 0.055 0.000 1.430 362 I HN 0.062 nan 8.210 nan 0.000 0.489 363 Y N 5.151 125.379 120.300 -0.120 0.000 2.457 363 Y HA 0.127 4.677 4.550 0.000 0.000 0.292 363 Y C 0.301 175.941 175.900 -0.432 0.000 1.125 363 Y CA 0.551 58.466 58.100 -0.308 0.000 1.254 363 Y CB -0.094 38.064 38.460 -0.503 0.000 1.012 363 Y HN 0.304 nan 8.280 nan 0.000 0.555 364 F N -1.888 118.177 119.950 0.192 0.000 2.588 364 F HA 0.375 4.902 4.527 -0.000 0.000 0.310 364 F C 0.223 176.029 175.800 0.009 0.000 1.082 364 F CA -1.699 56.365 58.000 0.108 0.000 0.929 364 F CB 1.037 40.101 39.000 0.106 0.000 1.254 364 F HN -0.507 nan 8.300 nan 0.000 0.455 365 T N 1.842 116.498 114.554 0.170 0.000 2.888 365 T HA 0.282 4.632 4.350 -0.000 0.000 0.301 365 T C -0.526 174.141 174.700 -0.055 0.000 1.001 365 T CA 0.069 62.161 62.100 -0.014 0.000 1.147 365 T CB 0.591 69.444 68.868 -0.024 0.000 0.931 365 T HN 0.473 nan 8.240 nan 0.000 0.541 366 Q N 2.252 121.944 119.800 -0.179 0.000 2.292 366 Q HA 0.503 4.843 4.340 -0.000 0.000 0.270 366 Q C -1.171 174.646 176.000 -0.306 0.000 1.024 366 Q CA -0.352 55.301 55.803 -0.251 0.000 0.768 366 Q CB 1.529 30.125 28.738 -0.236 0.000 1.250 366 Q HN 0.568 nan 8.270 nan 0.000 0.447 367 S N 3.090 118.618 115.700 -0.286 0.000 2.549 367 S HA 0.477 4.947 4.470 -0.000 0.000 0.297 367 S C -0.693 173.690 174.600 -0.362 0.000 1.115 367 S CA -0.464 57.659 58.200 -0.129 0.000 1.059 367 S CB 0.563 63.796 63.200 0.056 0.000 1.046 367 S HN 0.834 nan 8.310 nan 0.000 0.506 368 W N 0.843 122.190 121.300 0.079 0.000 2.870 368 W HA 0.207 4.866 4.660 -0.001 0.000 0.358 368 W C 0.491 177.032 176.519 0.037 0.000 1.043 368 W CA -0.462 56.907 57.345 0.039 0.000 1.692 368 W CB 0.017 29.495 29.460 0.030 0.000 1.100 368 W HN 0.591 nan 8.180 nan 0.000 0.557 369 V N -0.056 119.982 119.914 0.207 0.000 5.482 369 V HA -0.386 3.734 4.120 -0.000 0.000 0.262 369 V C 0.730 176.907 176.094 0.138 0.000 0.664 369 V CA 0.764 63.146 62.300 0.137 0.000 0.609 369 V CB -2.492 29.385 31.823 0.090 0.000 0.306 369 V HN 0.458 nan 8.190 nan 0.000 0.731 370 S N -1.865 113.927 115.700 0.154 0.000 3.127 370 S HA -0.223 4.247 4.470 -0.000 0.000 0.281 370 S C 0.755 175.416 174.600 0.101 0.000 1.293 370 S CA 1.370 59.638 58.200 0.113 0.000 1.156 370 S CB -1.661 61.584 63.200 0.075 0.000 1.389 370 S HN 1.689 nan 8.310 nan 0.000 0.672 371 T N 3.583 118.223 114.554 0.143 0.000 2.819 371 T HA 0.176 4.526 4.350 -0.000 0.000 0.282 371 T C -1.805 172.883 174.700 -0.021 0.000 1.013 371 T CA -0.131 62.015 62.100 0.075 0.000 1.159 371 T CB 0.007 68.960 68.868 0.141 0.000 1.007 371 T HN 0.151 nan 8.240 nan 0.000 0.514 372 P HA 0.211 nan 4.420 nan 0.000 0.267 372 P C 0.406 177.624 177.300 -0.138 0.000 1.201 372 P CA -0.137 62.928 63.100 -0.060 0.000 0.775 372 P CB 0.387 32.061 31.700 -0.044 0.000 0.854 373 G N 0.905 109.639 108.800 -0.111 0.000 2.448 373 G HA2 0.452 4.412 3.960 -0.000 0.000 0.285 373 G HA3 0.452 4.412 3.960 -0.000 0.000 0.285 373 G C -0.764 174.069 174.900 -0.111 0.000 1.176 373 G CA -0.438 44.572 45.100 -0.151 0.000 0.852 373 G HN 0.343 nan 8.290 nan 0.000 0.530 374 V N 2.280 122.112 119.914 -0.138 0.000 2.439 374 V HA 0.212 4.332 4.120 -0.000 0.000 0.282 374 V C 0.121 176.182 176.094 -0.054 0.000 1.039 374 V CA -0.884 61.360 62.300 -0.093 0.000 0.913 374 V CB 1.381 33.122 31.823 -0.136 0.000 0.983 374 V HN 0.545 nan 8.190 nan 0.000 0.460 375 L N 8.980 130.181 121.223 -0.037 0.000 2.361 375 L HA 0.395 4.735 4.340 -0.000 0.000 0.278 375 L C -1.977 174.822 176.870 -0.119 0.000 1.113 375 L CA -1.571 53.221 54.840 -0.080 0.000 0.849 375 L CB 0.721 42.699 42.059 -0.136 0.000 1.155 375 L HN 0.455 nan 8.230 nan 0.000 0.452 376 P HA 0.132 nan 4.420 nan 0.000 0.280 376 P C -1.098 176.036 177.300 -0.278 0.000 1.244 376 P CA -0.214 62.824 63.100 -0.104 0.000 0.784 376 P CB 1.237 32.952 31.700 0.025 0.000 0.913 377 V N 3.065 122.793 119.914 -0.311 0.000 2.384 377 V HA 0.533 4.653 4.120 -0.000 0.000 0.287 377 V C 0.453 176.237 176.094 -0.517 0.000 1.020 377 V CA -0.808 61.229 62.300 -0.439 0.000 0.850 377 V CB 1.328 32.867 31.823 -0.474 0.000 0.987 377 V HN 0.681 nan 8.190 nan 0.000 0.436 378 A N 3.946 126.418 122.820 -0.581 0.000 2.249 378 A HA 0.819 5.139 4.320 -0.000 0.000 0.314 378 A C 0.050 177.380 177.584 -0.423 0.000 1.290 378 A CA -0.219 51.496 52.037 -0.537 0.000 0.893 378 A CB 0.921 19.496 19.000 -0.708 0.000 1.165 378 A HN 0.975 nan 8.150 nan 0.000 0.530 379 S N 1.948 117.461 115.700 -0.311 0.000 2.537 379 S HA 0.781 5.251 4.470 -0.000 0.000 0.270 379 S C -0.452 174.036 174.600 -0.187 0.000 1.142 379 S CA 0.391 58.432 58.200 -0.264 0.000 0.870 379 S CB 1.417 64.526 63.200 -0.152 0.000 1.112 379 S HN 2.602 nan 8.310 nan 0.000 0.466 380 G N 1.134 109.807 108.800 -0.212 0.000 2.730 380 G HA2 0.455 4.415 3.960 -0.000 0.000 0.644 380 G HA3 0.455 4.415 3.960 -0.000 0.000 0.644 380 G C 0.861 175.592 174.900 -0.282 0.000 1.168 380 G CA 0.314 45.305 45.100 -0.181 0.000 1.240 380 G HN 2.306 nan 8.290 nan 0.000 0.551 381 G N 0.165 108.819 108.800 -0.244 0.000 2.171 381 G HA2 0.037 3.997 3.960 -0.000 0.000 0.238 381 G HA3 0.037 3.997 3.960 -0.000 0.000 0.238 381 G C 0.505 175.341 174.900 -0.107 0.000 1.039 381 G CA 0.749 45.688 45.100 -0.268 0.000 0.759 381 G HN 2.220 nan 8.290 nan 0.000 0.501 382 I N -2.438 118.066 120.570 -0.110 0.000 2.863 382 I HA 1.016 5.186 4.170 -0.000 0.000 0.311 382 I C 0.150 176.465 176.117 0.330 0.000 1.026 382 I CA -1.458 59.834 61.300 -0.014 0.000 1.077 382 I CB 1.968 39.799 38.000 -0.281 0.000 1.262 382 I HN 0.367 nan 8.210 nan 0.000 0.461 383 H N 0.076 119.518 119.070 0.619 0.000 2.918 383 H HA 0.396 4.952 4.556 0.000 0.000 0.303 383 H C 0.464 175.860 175.328 0.113 0.000 1.380 383 H CA -0.423 55.722 56.048 0.162 0.000 1.134 383 H CB 0.539 30.098 29.762 -0.338 0.000 1.842 383 H HN 0.367 nan 8.280 nan 0.000 0.533 384 V N -2.672 117.291 119.914 0.082 0.000 2.324 384 V HA -0.257 3.863 4.120 -0.000 0.000 0.250 384 V C 1.399 177.449 176.094 -0.073 0.000 1.060 384 V CA 1.937 64.164 62.300 -0.122 0.000 1.042 384 V CB -1.255 30.413 31.823 -0.259 0.000 0.650 384 V HN 0.794 nan 8.190 nan 0.000 0.450 385 W N -0.029 121.363 121.300 0.153 0.000 2.392 385 W HA -0.013 4.647 4.660 -0.000 0.000 0.279 385 W C 2.631 179.086 176.519 -0.106 0.000 1.225 385 W CA 1.228 58.580 57.345 0.011 0.000 1.233 385 W CB -0.618 28.870 29.460 0.046 0.000 1.122 385 W HN 0.367 nan 8.180 nan 0.000 0.561 386 H N -0.550 118.590 119.070 0.117 0.000 2.559 386 H HA -0.049 4.507 4.556 -0.000 0.000 0.273 386 H C 1.851 177.253 175.328 0.124 0.000 1.000 386 H CA 1.120 57.215 56.048 0.078 0.000 1.195 386 H CB -0.395 29.363 29.762 -0.006 0.000 1.368 386 H HN 0.215 nan 8.280 nan 0.000 0.592 387 M N 1.396 121.121 119.600 0.209 0.000 2.086 387 M HA -0.043 4.437 4.480 -0.000 0.000 0.261 387 M C -0.910 175.480 176.300 0.150 0.000 1.067 387 M CA 1.369 56.773 55.300 0.173 0.000 1.116 387 M CB -0.834 31.803 32.600 0.061 0.000 1.348 387 M HN 0.046 nan 8.290 nan 0.000 0.407 388 P HA -0.129 nan 4.420 nan 0.000 0.215 388 P C 1.113 178.482 177.300 0.116 0.000 1.157 388 P CA 2.347 65.514 63.100 0.113 0.000 0.874 388 P CB -0.341 31.426 31.700 0.112 0.000 0.790 389 A N -0.897 122.005 122.820 0.135 0.000 1.898 389 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 389 A C 2.253 179.906 177.584 0.114 0.000 1.181 389 A CA 1.338 53.442 52.037 0.112 0.000 0.620 389 A CB -1.655 17.421 19.000 0.127 0.000 0.819 389 A HN 0.092 nan 8.150 nan 0.000 0.442 390 L N -0.584 120.743 121.223 0.173 0.000 2.012 390 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 390 L C 2.795 179.815 176.870 0.251 0.000 1.073 390 L CA 1.887 56.876 54.840 0.247 0.000 0.748 390 L CB -0.911 41.290 42.059 0.237 0.000 0.891 390 L HN 0.353 nan 8.230 nan 0.000 0.431 391 T N -1.337 113.321 114.554 0.174 0.000 2.788 391 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 391 T C 1.842 176.602 174.700 0.100 0.000 1.044 391 T CA 1.165 63.348 62.100 0.139 0.000 1.139 391 T CB -0.145 68.787 68.868 0.107 0.000 0.867 391 T HN 0.295 nan 8.240 nan 0.000 0.454 392 E N 0.977 121.219 120.200 0.070 0.000 2.072 392 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 392 E C 2.170 178.751 176.600 -0.032 0.000 0.985 392 E CA 0.900 57.315 56.400 0.025 0.000 0.801 392 E CB -0.204 29.509 29.700 0.021 0.000 0.750 392 E HN 0.507 nan 8.360 nan 0.000 0.452 393 I N -0.418 120.098 120.570 -0.089 0.000 2.233 393 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 393 I C 1.969 177.844 176.117 -0.402 0.000 1.093 393 I CA 1.060 62.165 61.300 -0.325 0.000 1.380 393 I CB -0.204 37.462 38.000 -0.556 0.000 1.067 393 I HN 0.018 nan 8.210 nan 0.000 0.413 394 F N 0.289 120.235 119.950 -0.006 0.000 2.582 394 F HA 0.343 4.870 4.527 0.000 0.000 0.290 394 F C 1.621 177.422 175.800 0.002 0.000 1.115 394 F CA 0.591 58.585 58.000 -0.010 0.000 1.445 394 F CB -0.625 38.365 39.000 -0.017 0.000 1.126 394 F HN 0.136 nan 8.300 nan 0.000 0.574 395 G N 0.741 109.637 108.800 0.159 0.000 2.698 395 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.233 395 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.233 395 G C 0.276 175.244 174.900 0.113 0.000 1.352 395 G CA 0.042 45.207 45.100 0.108 0.000 0.879 395 G HN 0.137 nan 8.290 nan 0.000 0.567 396 D N 0.515 120.965 120.400 0.084 0.000 2.123 396 D HA -0.025 4.615 4.640 -0.000 0.000 0.196 396 D C 1.120 177.458 176.300 0.063 0.000 0.992 396 D CA 1.688 55.731 54.000 0.072 0.000 0.833 396 D CB -0.181 40.660 40.800 0.069 0.000 0.954 396 D HN 0.425 nan 8.370 nan 0.000 0.455 397 D N 0.508 120.948 120.400 0.067 0.000 2.619 397 D HA 0.169 4.809 4.640 -0.000 0.000 0.224 397 D C 0.025 176.344 176.300 0.031 0.000 1.133 397 D CA 0.032 54.060 54.000 0.047 0.000 1.017 397 D CB -0.045 40.785 40.800 0.049 0.000 1.077 397 D HN 0.044 nan 8.370 nan 0.000 0.503 398 S N -1.445 114.251 115.700 -0.006 0.000 2.656 398 S HA 0.682 5.152 4.470 -0.000 0.000 0.273 398 S C -0.815 173.709 174.600 -0.127 0.000 1.168 398 S CA -0.891 57.249 58.200 -0.100 0.000 0.817 398 S CB 1.782 64.903 63.200 -0.130 0.000 1.146 398 S HN -0.079 nan 8.310 nan 0.000 0.475 399 V N 1.615 121.402 119.914 -0.212 0.000 2.487 399 V HA 0.530 4.650 4.120 -0.000 0.000 0.298 399 V C -1.312 174.666 176.094 -0.195 0.000 1.028 399 V CA -0.690 61.530 62.300 -0.132 0.000 0.860 399 V CB 1.184 32.944 31.823 -0.104 0.000 0.991 399 V HN 0.751 nan 8.190 nan 0.000 0.427 400 L N 5.006 126.165 121.223 -0.105 0.000 2.265 400 L HA 0.550 4.890 4.340 -0.000 0.000 0.289 400 L C 0.089 176.848 176.870 -0.185 0.000 1.033 400 L CA -0.074 54.661 54.840 -0.174 0.000 0.814 400 L CB 1.011 43.089 42.059 0.031 0.000 1.203 400 L HN 0.701 nan 8.230 nan 0.000 0.423 401 Q N 3.572 123.116 119.800 -0.428 0.000 2.333 401 Q HA 0.537 4.877 4.340 -0.000 0.000 0.267 401 Q C -1.416 174.247 176.000 -0.562 0.000 1.012 401 Q CA -0.316 55.312 55.803 -0.290 0.000 0.824 401 Q CB 2.125 30.766 28.738 -0.161 0.000 1.290 401 Q HN 0.356 nan 8.270 nan 0.000 0.449 402 F N 1.073 120.997 119.950 -0.043 0.000 2.443 402 F HA 0.351 4.877 4.527 -0.000 0.000 0.369 402 F C 0.925 176.704 175.800 -0.035 0.000 1.090 402 F CA -0.666 57.305 58.000 -0.049 0.000 1.129 402 F CB 1.170 40.139 39.000 -0.051 0.000 1.367 402 F HN 0.748 nan 8.300 nan 0.000 0.465 403 G N 1.575 110.413 108.800 0.064 0.000 2.654 403 G HA2 0.037 3.997 3.960 -0.000 0.000 0.215 403 G HA3 0.037 3.997 3.960 -0.000 0.000 0.215 403 G C 1.814 176.762 174.900 0.081 0.000 1.310 403 G CA 0.593 45.725 45.100 0.054 0.000 0.866 403 G HN 0.733 nan 8.290 nan 0.000 0.558 404 G N 0.810 109.654 108.800 0.072 0.000 2.547 404 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.221 404 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.221 404 G C 1.719 176.685 174.900 0.111 0.000 1.140 404 G CA 1.558 46.721 45.100 0.105 0.000 0.760 404 G HN 0.795 nan 8.290 nan 0.000 0.583 405 G N -1.033 107.776 108.800 0.015 0.000 2.625 405 G HA2 0.143 4.103 3.960 -0.000 0.000 0.214 405 G HA3 0.143 4.103 3.960 -0.000 0.000 0.214 405 G C 1.498 176.470 174.900 0.119 0.000 1.132 405 G CA 1.661 46.684 45.100 -0.128 0.000 0.782 405 G HN 0.458 nan 8.290 nan 0.000 0.538 406 T N 0.129 114.793 114.554 0.183 0.000 3.098 406 T HA 0.111 4.461 4.350 -0.000 0.000 0.246 406 T C 1.858 176.673 174.700 0.190 0.000 0.983 406 T CA -0.066 62.134 62.100 0.166 0.000 1.094 406 T CB 0.025 68.950 68.868 0.094 0.000 1.035 406 T HN 0.063 nan 8.240 nan 0.000 0.456 407 L N 1.561 122.880 121.223 0.160 0.000 2.599 407 L HA 0.351 4.691 4.340 -0.000 0.000 0.230 407 L C 2.203 179.190 176.870 0.196 0.000 1.141 407 L CA 0.578 55.501 54.840 0.137 0.000 0.877 407 L CB -0.241 41.864 42.059 0.076 0.000 1.009 407 L HN 0.353 nan 8.230 nan 0.000 0.447 408 G N -2.656 106.333 108.800 0.314 0.000 3.141 408 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.218 408 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.218 408 G C 0.502 175.591 174.900 0.316 0.000 1.170 408 G CA -0.242 45.082 45.100 0.373 0.000 0.769 408 G HN 0.278 nan 8.290 nan 0.000 0.546 409 H N 1.793 120.982 119.070 0.198 0.000 2.683 409 H HA 0.138 4.694 4.556 -0.000 0.000 0.339 409 H C -1.123 174.165 175.328 -0.067 0.000 1.081 409 H CA -1.498 54.540 56.048 -0.016 0.000 1.432 409 H CB 2.129 31.905 29.762 0.023 0.000 1.462 409 H HN -0.018 nan 8.280 nan 0.000 0.557 410 P HA -0.149 nan 4.420 nan 0.000 0.219 410 P C 0.677 178.199 177.300 0.371 0.000 1.146 410 P CA 1.159 64.243 63.100 -0.028 0.000 0.808 410 P CB 0.081 31.646 31.700 -0.225 0.000 0.779 411 W N 0.326 121.836 121.300 0.350 0.000 3.316 411 W HA 0.507 5.167 4.660 0.000 0.000 0.327 411 W C 1.083 177.647 176.519 0.076 0.000 1.232 411 W CA 0.347 57.799 57.345 0.178 0.000 1.805 411 W CB -0.793 28.768 29.460 0.167 0.000 1.090 411 W HN 0.054 nan 8.180 nan 0.000 0.654 412 G N 1.056 110.019 108.800 0.270 0.000 2.655 412 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.680 412 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.680 412 G C 0.652 175.569 174.900 0.028 0.000 1.302 412 G CA -0.220 44.954 45.100 0.123 0.000 0.872 412 G HN -0.007 nan 8.290 nan 0.000 0.540 413 N N -0.007 118.694 118.700 0.001 0.000 2.120 413 N HA -0.009 4.731 4.740 -0.000 0.000 0.188 413 N C 2.711 178.162 175.510 -0.098 0.000 1.024 413 N CA 2.587 55.614 53.050 -0.039 0.000 0.852 413 N CB -0.596 37.865 38.487 -0.042 0.000 1.003 413 N HN 1.093 nan 8.380 nan 0.000 0.424 414 A N 1.412 124.169 122.820 -0.106 0.000 1.858 414 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 414 A C -0.160 177.336 177.584 -0.146 0.000 1.190 414 A CA 1.332 53.292 52.037 -0.128 0.000 0.617 414 A CB -1.538 17.387 19.000 -0.124 0.000 0.827 414 A HN 0.206 nan 8.150 nan 0.000 0.443 415 P HA -0.088 nan 4.420 nan 0.000 0.216 415 P C 1.714 178.614 177.300 -0.666 0.000 1.150 415 P CA 1.672 64.587 63.100 -0.308 0.000 0.837 415 P CB -0.338 31.287 31.700 -0.125 0.000 0.786 416 G N 0.203 108.600 108.800 -0.671 0.000 2.446 416 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 416 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 416 G C 1.645 176.443 174.900 -0.170 0.000 1.168 416 G CA 1.054 45.944 45.100 -0.350 0.000 0.771 416 G HN 0.326 nan 8.290 nan 0.000 0.551 417 A N 0.065 122.794 122.820 -0.150 0.000 1.873 417 A HA 0.114 4.434 4.320 -0.000 0.000 0.215 417 A C 2.616 180.127 177.584 -0.122 0.000 1.186 417 A CA 1.773 53.742 52.037 -0.112 0.000 0.616 417 A CB -0.694 18.249 19.000 -0.094 0.000 0.823 417 A HN 0.269 nan 8.150 nan 0.000 0.442 418 V N 0.182 120.021 119.914 -0.126 0.000 2.282 418 V HA -0.335 3.785 4.120 -0.000 0.000 0.249 418 V C 3.064 179.086 176.094 -0.119 0.000 1.057 418 V CA 2.170 64.412 62.300 -0.097 0.000 1.032 418 V CB -1.419 30.362 31.823 -0.071 0.000 0.645 418 V HN 0.631 nan 8.190 nan 0.000 0.447 419 A N 0.324 123.052 122.820 -0.154 0.000 1.883 419 A HA -0.315 4.005 4.320 -0.000 0.000 0.217 419 A C 2.048 179.513 177.584 -0.199 0.000 1.186 419 A CA 2.559 54.499 52.037 -0.162 0.000 0.624 419 A CB -0.937 18.017 19.000 -0.078 0.000 0.822 419 A HN 0.692 nan 8.150 nan 0.000 0.444 420 N N -1.347 117.215 118.700 -0.230 0.000 2.188 420 N HA -0.157 4.583 4.740 -0.000 0.000 0.184 420 N C 1.965 177.342 175.510 -0.222 0.000 1.018 420 N CA 1.352 54.191 53.050 -0.352 0.000 0.858 420 N CB -0.115 38.082 38.487 -0.483 0.000 0.989 420 N HN 0.451 nan 8.380 nan 0.000 0.426 421 R N 0.995 121.414 120.500 -0.136 0.000 2.062 421 R HA 0.036 4.376 4.340 -0.000 0.000 0.229 421 R C 1.737 178.014 176.300 -0.039 0.000 1.128 421 R CA 0.982 57.039 56.100 -0.070 0.000 0.960 421 R CB -0.736 29.535 30.300 -0.048 0.000 0.855 421 R HN -0.011 nan 8.270 nan 0.000 0.432 422 V N 1.083 120.971 119.914 -0.043 0.000 2.332 422 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 422 V C 2.359 178.429 176.094 -0.040 0.000 1.055 422 V CA 2.005 64.304 62.300 -0.001 0.000 1.038 422 V CB -0.977 30.795 31.823 -0.085 0.000 0.651 422 V HN 0.549 nan 8.190 nan 0.000 0.450 423 A N -0.300 122.445 122.820 -0.124 0.000 1.877 423 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 423 A C 2.167 179.719 177.584 -0.054 0.000 1.186 423 A CA 2.192 54.150 52.037 -0.132 0.000 0.620 423 A CB -0.575 18.302 19.000 -0.205 0.000 0.822 423 A HN 0.466 nan 8.150 nan 0.000 0.443 424 L N -0.012 121.184 121.223 -0.044 0.000 2.056 424 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 424 L C 2.182 179.070 176.870 0.031 0.000 1.078 424 L CA 2.293 57.137 54.840 0.006 0.000 0.749 424 L CB -0.570 41.497 42.059 0.014 0.000 0.901 424 L HN 0.502 nan 8.230 nan 0.000 0.433 425 E N -0.351 119.871 120.200 0.038 0.000 2.106 425 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 425 E C 2.165 178.813 176.600 0.080 0.000 0.984 425 E CA 0.979 57.415 56.400 0.060 0.000 0.806 425 E CB -0.272 29.470 29.700 0.070 0.000 0.750 425 E HN 0.660 nan 8.360 nan 0.000 0.458 426 A N 1.048 123.928 122.820 0.100 0.000 1.883 426 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 426 A C 2.475 180.104 177.584 0.076 0.000 1.186 426 A CA 1.387 53.492 52.037 0.115 0.000 0.624 426 A CB -0.934 18.131 19.000 0.109 0.000 0.822 426 A HN 0.360 nan 8.150 nan 0.000 0.444 427 C N -1.409 117.924 119.300 0.056 0.000 2.429 427 C HA -0.052 4.408 4.460 -0.000 0.000 0.277 427 C C 2.737 177.761 174.990 0.057 0.000 1.262 427 C CA 0.980 60.032 59.018 0.056 0.000 1.733 427 C CB -1.317 26.457 27.740 0.057 0.000 2.010 427 C HN 0.456 nan 8.230 nan 0.000 0.483 428 V N 0.466 120.413 119.914 0.055 0.000 2.295 428 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 428 V C 2.543 178.665 176.094 0.047 0.000 1.049 428 V CA 2.215 64.546 62.300 0.051 0.000 1.024 428 V CB -0.878 30.975 31.823 0.049 0.000 0.648 428 V HN 0.618 nan 8.190 nan 0.000 0.447 429 Q N -0.210 119.619 119.800 0.049 0.000 2.061 429 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 429 Q C 2.274 178.299 176.000 0.041 0.000 0.984 429 Q CA 2.259 58.087 55.803 0.041 0.000 0.846 429 Q CB -0.318 28.446 28.738 0.043 0.000 0.902 429 Q HN 0.634 nan 8.270 nan 0.000 0.421 430 A N 1.320 124.170 122.820 0.050 0.000 1.883 430 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 430 A C 2.129 179.738 177.584 0.042 0.000 1.186 430 A CA 1.695 53.761 52.037 0.048 0.000 0.624 430 A CB -0.823 18.210 19.000 0.056 0.000 0.822 430 A HN 0.479 nan 8.150 nan 0.000 0.444 431 R N 0.077 120.603 120.500 0.043 0.000 2.096 431 R HA -0.192 4.148 4.340 -0.000 0.000 0.240 431 R C 1.874 178.194 176.300 0.033 0.000 1.139 431 R CA 2.091 58.215 56.100 0.039 0.000 0.952 431 R CB -0.542 29.784 30.300 0.043 0.000 0.854 431 R HN 0.749 nan 8.270 nan 0.000 0.436 432 N N -0.113 118.606 118.700 0.033 0.000 2.270 432 N HA -0.118 4.622 4.740 -0.000 0.000 0.181 432 N C 0.976 176.500 175.510 0.023 0.000 1.016 432 N CA 0.877 53.943 53.050 0.028 0.000 0.870 432 N CB 0.058 38.562 38.487 0.027 0.000 0.979 432 N HN 0.413 nan 8.380 nan 0.000 0.431 433 E N -0.137 120.077 120.200 0.024 0.000 2.511 433 E HA 0.016 4.366 4.350 -0.000 0.000 0.196 433 E C 0.967 177.580 176.600 0.021 0.000 1.066 433 E CA 0.157 56.570 56.400 0.021 0.000 0.871 433 E CB 0.218 29.931 29.700 0.022 0.000 0.863 433 E HN 0.474 nan 8.360 nan 0.000 0.520 434 G N 1.783 110.597 108.800 0.023 0.000 2.195 434 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.224 434 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.224 434 G C 0.265 175.180 174.900 0.024 0.000 0.990 434 G CA -0.279 44.834 45.100 0.022 0.000 0.639 434 G HN 0.153 nan 8.290 nan 0.000 0.514 435 R N 0.687 121.204 120.500 0.029 0.000 2.738 435 R HA 0.400 4.740 4.340 -0.000 0.000 0.268 435 R C -0.533 175.787 176.300 0.033 0.000 1.062 435 R CA -0.012 56.107 56.100 0.032 0.000 1.158 435 R CB 0.488 30.811 30.300 0.038 0.000 1.046 435 R HN 0.189 nan 8.270 nan 0.000 0.493 436 D N 2.409 122.829 120.400 0.033 0.000 2.359 436 D HA 0.075 4.715 4.640 -0.000 0.000 0.230 436 D C 0.851 177.174 176.300 0.039 0.000 1.118 436 D CA -0.183 53.836 54.000 0.031 0.000 0.844 436 D CB 1.036 41.852 40.800 0.027 0.000 1.059 436 D HN 0.413 nan 8.370 nan 0.000 0.493 437 L N 3.247 124.495 121.223 0.041 0.000 2.109 437 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 437 L C 2.472 179.373 176.870 0.053 0.000 1.086 437 L CA 1.026 55.896 54.840 0.051 0.000 0.760 437 L CB -0.306 41.785 42.059 0.054 0.000 0.910 437 L HN 0.462 nan 8.230 nan 0.000 0.437 438 A N 0.382 123.227 122.820 0.041 0.000 1.908 438 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 438 A C 2.390 179.998 177.584 0.040 0.000 1.181 438 A CA 1.727 53.787 52.037 0.038 0.000 0.627 438 A CB -0.388 18.627 19.000 0.025 0.000 0.818 438 A HN 0.363 nan 8.150 nan 0.000 0.445 439 R N -0.980 119.542 120.500 0.036 0.000 2.156 439 R HA 0.065 4.405 4.340 -0.000 0.000 0.207 439 R C 1.129 177.455 176.300 0.043 0.000 1.040 439 R CA 1.111 57.232 56.100 0.034 0.000 1.013 439 R CB 0.009 30.325 30.300 0.027 0.000 0.931 439 R HN 0.601 nan 8.270 nan 0.000 0.465 440 E N -0.089 120.141 120.200 0.049 0.000 2.501 440 E HA 0.106 4.456 4.350 -0.000 0.000 0.201 440 E C 1.461 178.106 176.600 0.076 0.000 1.016 440 E CA -0.013 56.422 56.400 0.057 0.000 0.920 440 E CB 0.808 30.538 29.700 0.051 0.000 1.023 440 E HN 0.343 nan 8.360 nan 0.000 0.474 441 G N 2.463 111.314 108.800 0.085 0.000 2.599 441 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.219 441 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.219 441 G C 1.317 176.311 174.900 0.157 0.000 1.193 441 G CA 1.390 46.557 45.100 0.112 0.000 0.778 441 G HN 0.256 nan 8.290 nan 0.000 0.589 442 N N -0.325 118.486 118.700 0.184 0.000 2.223 442 N HA -0.070 4.670 4.740 -0.000 0.000 0.185 442 N C 2.228 177.881 175.510 0.239 0.000 1.016 442 N CA 1.436 54.660 53.050 0.289 0.000 0.863 442 N CB -0.130 38.461 38.487 0.173 0.000 0.983 442 N HN 0.287 nan 8.380 nan 0.000 0.429 443 T N 0.924 115.562 114.554 0.140 0.000 2.857 443 T HA 0.022 4.372 4.350 -0.000 0.000 0.266 443 T C 1.939 176.694 174.700 0.092 0.000 1.048 443 T CA 0.609 62.773 62.100 0.107 0.000 1.139 443 T CB -0.100 68.814 68.868 0.077 0.000 0.874 443 T HN 0.170 nan 8.240 nan 0.000 0.455 444 I N 0.999 121.621 120.570 0.087 0.000 2.142 444 I HA -0.153 4.017 4.170 -0.000 0.000 0.240 444 I C 2.217 178.353 176.117 0.032 0.000 1.078 444 I CA 0.984 62.324 61.300 0.068 0.000 1.343 444 I CB -0.375 37.665 38.000 0.067 0.000 1.046 444 I HN 0.160 nan 8.210 nan 0.000 0.405 445 I N 0.616 121.190 120.570 0.008 0.000 2.163 445 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 445 I C 2.681 178.705 176.117 -0.154 0.000 1.085 445 I CA 1.583 62.801 61.300 -0.137 0.000 1.347 445 I CB -1.344 36.488 38.000 -0.279 0.000 1.044 445 I HN 0.256 nan 8.210 nan 0.000 0.408 446 R N 1.389 121.891 120.500 0.003 0.000 2.083 446 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 446 R C 2.162 178.453 176.300 -0.015 0.000 1.137 446 R CA 1.600 57.721 56.100 0.036 0.000 0.951 446 R CB -0.335 30.048 30.300 0.139 0.000 0.851 446 R HN 0.404 nan 8.270 nan 0.000 0.434 447 E N -0.610 119.601 120.200 0.019 0.000 2.085 447 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 447 E C 1.865 178.461 176.600 -0.007 0.000 0.994 447 E CA 1.350 57.781 56.400 0.050 0.000 0.801 447 E CB -0.191 29.573 29.700 0.105 0.000 0.743 447 E HN 0.506 nan 8.360 nan 0.000 0.453 448 A N 1.024 123.775 122.820 -0.116 0.000 1.969 448 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 448 A C 2.386 179.467 177.584 -0.838 0.000 1.169 448 A CA 1.782 53.539 52.037 -0.467 0.000 0.635 448 A CB -0.966 17.835 19.000 -0.332 0.000 0.810 448 A HN 0.405 nan 8.150 nan 0.000 0.445 449 T N -1.972 112.303 114.554 -0.464 0.000 2.929 449 T HA -0.118 4.232 4.350 -0.000 0.000 0.271 449 T C 1.563 176.087 174.700 -0.293 0.000 1.085 449 T CA 1.412 63.282 62.100 -0.383 0.000 1.125 449 T CB -0.265 68.462 68.868 -0.236 0.000 0.874 449 T HN 0.358 nan 8.240 nan 0.000 0.494 450 K N 0.757 121.026 120.400 -0.217 0.000 2.288 450 K HA 0.022 4.342 4.320 -0.000 0.000 0.201 450 K C 1.960 178.577 176.600 0.030 0.000 1.048 450 K CA 1.079 57.337 56.287 -0.048 0.000 0.956 450 K CB -0.259 32.278 32.500 0.062 0.000 0.746 450 K HN 0.868 nan 8.250 nan 0.000 0.461 451 W N -0.542 120.758 121.300 0.001 0.000 2.868 451 W HA 0.340 5.000 4.660 -0.000 0.000 0.320 451 W C 0.053 176.577 176.519 0.008 0.000 1.076 451 W CA -0.430 56.919 57.345 0.006 0.000 1.576 451 W CB 0.044 29.505 29.460 0.003 0.000 1.030 451 W HN -0.156 nan 8.180 nan 0.000 0.558 452 S N 3.036 118.424 115.700 -0.519 0.000 2.577 452 S HA 0.386 4.856 4.470 -0.000 0.000 0.294 452 S C -1.483 172.974 174.600 -0.238 0.000 1.161 452 S CA -1.342 56.620 58.200 -0.398 0.000 1.143 452 S CB 1.192 63.897 63.200 -0.825 0.000 0.991 452 S HN -0.302 nan 8.310 nan 0.000 0.475 453 P HA -0.127 nan 4.420 nan 0.000 0.216 453 P C 0.962 178.190 177.300 -0.120 0.000 1.153 453 P CA 1.237 64.361 63.100 0.041 0.000 0.858 453 P CB 0.208 32.068 31.700 0.266 0.000 0.789 454 E N -0.670 119.475 120.200 -0.092 0.000 2.051 454 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 454 E C 1.903 178.348 176.600 -0.257 0.000 0.991 454 E CA 0.835 57.094 56.400 -0.235 0.000 0.799 454 E CB -1.359 28.289 29.700 -0.086 0.000 0.748 454 E HN 0.123 nan 8.360 nan 0.000 0.449 455 L N 0.525 121.588 121.223 -0.266 0.000 2.046 455 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 455 L C 2.058 178.727 176.870 -0.336 0.000 1.077 455 L CA 1.992 56.650 54.840 -0.304 0.000 0.747 455 L CB -0.871 40.958 42.059 -0.383 0.000 0.896 455 L HN 0.123 nan 8.230 nan 0.000 0.432 456 A N -0.376 122.252 122.820 -0.320 0.000 1.917 456 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 456 A C 2.442 179.839 177.584 -0.311 0.000 1.182 456 A CA 2.130 54.008 52.037 -0.266 0.000 0.633 456 A CB -1.195 17.694 19.000 -0.185 0.000 0.819 456 A HN 0.596 nan 8.150 nan 0.000 0.448 457 A N -0.568 121.963 122.820 -0.481 0.000 1.929 457 A HA 0.282 4.602 4.320 -0.000 0.000 0.216 457 A C 2.467 179.631 177.584 -0.700 0.000 1.176 457 A CA 1.743 53.385 52.037 -0.658 0.000 0.628 457 A CB -0.867 17.405 19.000 -1.213 0.000 0.816 457 A HN 1.029 nan 8.150 nan 0.000 0.444 458 A N -0.929 121.520 122.820 -0.617 0.000 1.898 458 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 458 A C 2.279 179.718 177.584 -0.242 0.000 1.181 458 A CA 1.632 53.398 52.037 -0.452 0.000 0.620 458 A CB -1.225 17.735 19.000 -0.066 0.000 0.819 458 A HN 0.570 nan 8.150 nan 0.000 0.442 459 C N -0.533 118.627 119.300 -0.234 0.000 2.429 459 C HA -0.090 4.370 4.460 -0.000 0.000 0.277 459 C C 2.653 177.749 174.990 0.175 0.000 1.262 459 C CA 1.152 60.125 59.018 -0.074 0.000 1.733 459 C CB -1.288 26.296 27.740 -0.259 0.000 2.010 459 C HN 0.690 nan 8.230 nan 0.000 0.483 460 E N 0.275 120.449 120.200 -0.044 0.000 2.058 460 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 460 E C 2.115 178.621 176.600 -0.155 0.000 0.997 460 E CA 1.493 57.849 56.400 -0.074 0.000 0.801 460 E CB -0.231 29.384 29.700 -0.141 0.000 0.746 460 E HN 0.483 nan 8.360 nan 0.000 0.450 461 V N 0.129 119.824 119.914 -0.366 0.000 2.427 461 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 461 V C 1.311 177.124 176.094 -0.468 0.000 1.051 461 V CA 1.240 63.191 62.300 -0.582 0.000 1.048 461 V CB -0.257 30.896 31.823 -1.118 0.000 0.666 461 V HN 0.441 nan 8.190 nan 0.000 0.456 462 W N 0.613 121.855 121.300 -0.096 0.000 2.991 462 W HA 0.255 4.915 4.660 0.000 0.000 0.391 462 W C 1.891 178.346 176.519 -0.108 0.000 1.054 462 W CA -0.367 56.852 57.345 -0.211 0.000 1.856 462 W CB -0.205 28.932 29.460 -0.538 0.000 1.132 462 W HN 0.423 nan 8.180 nan 0.000 0.601 463 K N 0.447 120.952 120.400 0.175 0.000 2.160 463 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 463 K C 0.769 177.235 176.600 -0.223 0.000 1.047 463 K CA 1.430 57.650 56.287 -0.112 0.000 0.930 463 K CB -0.112 32.314 32.500 -0.123 0.000 0.720 463 K HN -0.056 nan 8.250 nan 0.000 0.450 464 E N 0.666 120.802 120.200 -0.107 0.000 2.479 464 E HA 0.115 4.465 4.350 -0.000 0.000 0.193 464 E C 0.190 176.744 176.600 -0.077 0.000 1.049 464 E CA 0.050 56.383 56.400 -0.113 0.000 0.870 464 E CB 0.286 29.933 29.700 -0.089 0.000 0.944 464 E HN 0.294 nan 8.360 nan 0.000 0.492 465 I N 1.730 122.291 120.570 -0.016 0.000 2.342 465 I HA 0.248 4.418 4.170 -0.000 0.000 0.291 465 I C 0.323 176.473 176.117 0.055 0.000 1.010 465 I CA -0.190 61.109 61.300 -0.002 0.000 1.308 465 I CB 0.584 38.620 38.000 0.060 0.000 1.400 465 I HN -0.270 nan 8.210 nan 0.000 0.488 466 K N 5.541 125.837 120.400 -0.174 0.000 2.532 466 K HA 0.577 4.897 4.320 -0.000 0.000 0.265 466 K C -1.625 174.773 176.600 -0.337 0.000 0.948 466 K CA -0.583 55.656 56.287 -0.079 0.000 0.842 466 K CB 2.685 35.165 32.500 -0.033 0.000 1.392 466 K HN 0.170 nan 8.250 nan 0.000 0.436 467 F N 1.574 121.629 119.950 0.176 0.000 2.532 467 F HA 0.324 4.851 4.527 -0.000 0.000 0.365 467 F C -0.424 175.463 175.800 0.145 0.000 1.112 467 F CA -0.551 57.568 58.000 0.199 0.000 1.082 467 F CB 1.564 40.706 39.000 0.236 0.000 1.319 467 F HN 0.288 nan 8.300 nan 0.000 0.457 468 E N 3.685 123.921 120.200 0.061 0.000 2.255 468 E HA 0.578 4.928 4.350 -0.000 0.000 0.256 468 E C -1.364 175.064 176.600 -0.287 0.000 0.887 468 E CA -0.456 55.925 56.400 -0.032 0.000 0.782 468 E CB 1.803 31.458 29.700 -0.075 0.000 1.214 468 E HN 0.343 nan 8.360 nan 0.000 0.417 469 F N 1.537 121.533 119.950 0.077 0.000 2.626 469 F HA 0.429 4.956 4.527 -0.000 0.000 0.311 469 F C -1.967 173.863 175.800 0.050 0.000 1.088 469 F CA -1.979 56.058 58.000 0.062 0.000 0.949 469 F CB 1.072 40.115 39.000 0.071 0.000 1.322 469 F HN 0.267 nan 8.300 nan 0.000 0.461 470 P HA 0.395 nan 4.420 nan 0.000 0.271 470 P C -1.006 176.379 177.300 0.141 0.000 1.216 470 P CA -0.324 62.866 63.100 0.149 0.000 0.771 470 P CB 0.665 32.436 31.700 0.117 0.000 0.864 471 A N 3.245 126.129 122.820 0.107 0.000 2.340 471 A HA 0.371 4.691 4.320 -0.000 0.000 0.268 471 A C 1.148 178.778 177.584 0.076 0.000 1.100 471 A CA -0.434 51.658 52.037 0.092 0.000 0.803 471 A CB 0.265 19.319 19.000 0.089 0.000 1.043 471 A HN 0.490 nan 8.150 nan 0.000 0.488 472 M N 0.328 119.967 119.600 0.065 0.000 2.501 472 M HA 0.094 4.574 4.480 -0.000 0.000 0.261 472 M C 0.004 176.349 176.300 0.076 0.000 1.129 472 M CA 0.786 56.121 55.300 0.057 0.000 1.126 472 M CB -0.981 31.640 32.600 0.036 0.000 1.359 472 M HN 0.779 nan 8.290 nan 0.000 0.471 473 D N 2.031 122.487 120.400 0.094 0.000 2.472 473 D HA 0.286 4.926 4.640 -0.000 0.000 0.234 473 D C -0.657 175.731 176.300 0.148 0.000 1.088 473 D CA 0.013 54.094 54.000 0.137 0.000 0.882 473 D CB 0.923 41.818 40.800 0.157 0.000 1.037 473 D HN 0.143 nan 8.370 nan 0.000 0.520 474 T N -0.639 113.991 114.554 0.127 0.000 2.924 474 T HA 0.574 4.924 4.350 -0.000 0.000 0.291 474 T C 0.505 175.265 174.700 0.100 0.000 1.045 474 T CA -0.828 61.334 62.100 0.103 0.000 1.015 474 T CB 1.124 70.036 68.868 0.073 0.000 1.103 474 T HN 0.027 nan 8.240 nan 0.000 0.496 475 V N 0.000 119.958 119.914 0.074 0.000 2.409 475 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 475 V CA 0.000 62.331 62.300 0.052 0.000 1.235 475 V CB 0.000 31.833 31.823 0.017 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556