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 1rcx_1_B DATA FIRST_RESID 9 DATA SEQUENCE ASVGFKAGVK DYKLTYYTPE YETLDTDILA AFRVSPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTNLD RYKGRCYHIE PVAGEENQYI CYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPVAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTKDDENVNS 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 0.020 0.000 1.274 9 A CA 0.000 52.045 52.037 0.013 0.000 0.836 9 A CB 0.000 19.007 19.000 0.012 0.000 0.831 10 S N -0.284 115.431 115.700 0.026 0.000 2.586 10 S HA 0.709 5.179 4.470 0.000 0.000 0.274 10 S C -0.043 174.580 174.600 0.039 0.000 1.281 10 S CA -0.027 58.196 58.200 0.038 0.000 1.035 10 S CB 1.363 64.590 63.200 0.045 0.000 0.962 10 S HN 2.256 nan 8.310 nan 0.000 0.512 11 V N 1.756 121.700 119.914 0.050 0.000 2.864 11 V HA 0.833 4.953 4.120 0.000 0.000 0.314 11 V C 0.720 176.858 176.094 0.073 0.000 1.073 11 V CA -0.154 62.175 62.300 0.048 0.000 0.956 11 V CB 1.341 33.186 31.823 0.038 0.000 1.023 11 V HN 1.270 nan 8.190 nan 0.000 0.435 12 G N 2.965 111.803 108.800 0.065 0.000 2.794 12 G HA2 0.194 4.154 3.960 0.000 0.000 0.249 12 G HA3 0.194 4.154 3.960 0.000 0.000 0.249 12 G C -0.662 174.333 174.900 0.159 0.000 1.236 12 G CA -0.036 45.119 45.100 0.093 0.000 0.880 12 G HN 0.961 nan 8.290 nan 0.000 0.586 13 F N 0.177 120.146 119.950 0.033 0.000 2.411 13 F HA 0.614 5.141 4.527 0.000 0.000 0.350 13 F C 0.067 175.884 175.800 0.028 0.000 1.114 13 F CA -1.648 56.384 58.000 0.053 0.000 1.135 13 F CB 1.735 40.791 39.000 0.094 0.000 1.120 13 F HN 0.235 nan 8.300 nan 0.000 0.495 14 K N 5.753 125.894 120.400 -0.431 0.000 2.521 14 K HA 0.667 4.987 4.320 0.000 0.000 0.248 14 K C -0.808 175.362 176.600 -0.716 0.000 0.978 14 K CA -0.429 55.554 56.287 -0.507 0.000 0.947 14 K CB 0.826 33.204 32.500 -0.202 0.000 1.165 14 K HN 0.751 nan 8.250 nan 0.000 0.445 15 A N 2.629 124.832 122.820 -1.028 0.000 2.466 15 A HA 0.605 4.925 4.320 0.000 0.000 0.238 15 A C 0.569 177.993 177.584 -0.266 0.000 1.074 15 A CA 0.892 52.553 52.037 -0.625 0.000 0.774 15 A CB -0.345 18.410 19.000 -0.408 0.000 1.015 15 A HN 1.153 nan 8.150 nan 0.000 0.498 16 G N -1.472 107.235 108.800 -0.155 0.000 2.392 16 G HA2 0.432 4.392 3.960 0.000 0.000 0.677 16 G HA3 0.432 4.392 3.960 0.000 0.000 0.677 16 G C -0.465 174.358 174.900 -0.129 0.000 1.334 16 G CA -0.089 44.941 45.100 -0.116 0.000 0.961 16 G HN 2.288 nan 8.290 nan 0.000 0.616 17 V N -0.430 119.428 119.914 -0.094 0.000 2.716 17 V HA 0.988 5.108 4.120 0.000 0.000 0.304 17 V C 0.135 176.178 176.094 -0.084 0.000 1.053 17 V CA 0.461 62.698 62.300 -0.104 0.000 0.984 17 V CB 1.423 33.238 31.823 -0.013 0.000 1.021 17 V HN 1.494 nan 8.190 nan 0.000 0.467 18 K N 2.080 122.411 120.400 -0.115 0.000 2.522 18 K HA 0.520 4.840 4.320 0.000 0.000 0.275 18 K C -1.441 175.081 176.600 -0.129 0.000 1.006 18 K CA -0.924 55.310 56.287 -0.088 0.000 0.890 18 K CB 1.485 33.953 32.500 -0.054 0.000 1.475 18 K HN 0.524 nan 8.250 nan 0.000 0.441 19 D N 0.964 121.321 120.400 -0.072 0.000 2.443 19 D HA 0.014 4.655 4.640 0.000 0.000 0.239 19 D C 0.588 176.893 176.300 0.008 0.000 1.136 19 D CA 0.274 54.242 54.000 -0.052 0.000 0.879 19 D CB 0.216 41.019 40.800 0.006 0.000 1.195 19 D HN 0.425 nan 8.370 nan 0.000 0.443 20 Y N 1.156 121.492 120.300 0.059 0.000 2.352 20 Y HA -0.167 4.383 4.550 0.000 0.000 0.292 20 Y C 2.260 178.282 175.900 0.205 0.000 1.136 20 Y CA 1.008 59.191 58.100 0.137 0.000 1.227 20 Y CB -0.235 38.240 38.460 0.025 0.000 0.991 20 Y HN 0.458 nan 8.280 nan 0.000 0.545 21 K N 0.242 120.800 120.400 0.263 0.000 2.280 21 K HA -0.138 4.183 4.320 0.000 0.000 0.202 21 K C 1.623 178.339 176.600 0.195 0.000 1.047 21 K CA 1.443 57.865 56.287 0.224 0.000 0.942 21 K CB -0.672 31.905 32.500 0.128 0.000 0.739 21 K HN 0.335 nan 8.250 nan 0.000 0.457 22 L N 1.141 122.451 121.223 0.145 0.000 2.131 22 L HA -0.122 4.218 4.340 0.000 0.000 0.210 22 L C 1.594 178.494 176.870 0.050 0.000 1.092 22 L CA 1.459 56.350 54.840 0.085 0.000 0.759 22 L CB -0.362 41.730 42.059 0.056 0.000 0.903 22 L HN 0.377 nan 8.230 nan 0.000 0.435 23 T N -3.288 111.303 114.554 0.061 0.000 2.987 23 T HA 0.054 4.404 4.350 0.000 0.000 0.248 23 T C 1.003 175.488 174.700 -0.358 0.000 0.997 23 T CA 0.105 62.092 62.100 -0.188 0.000 1.013 23 T CB 0.173 68.841 68.868 -0.333 0.000 1.077 23 T HN 0.124 nan 8.240 nan 0.000 0.483 24 Y N -0.144 120.215 120.300 0.099 0.000 2.458 24 Y HA 0.410 4.960 4.550 0.000 0.000 0.256 24 Y C 0.093 176.065 175.900 0.120 0.000 1.159 24 Y CA -1.105 57.041 58.100 0.078 0.000 1.261 24 Y CB 0.331 38.832 38.460 0.068 0.000 1.119 24 Y HN 0.164 nan 8.280 nan 0.000 0.524 25 Y N 0.889 121.250 120.300 0.102 0.000 2.353 25 Y HA 0.479 5.029 4.550 0.000 0.000 0.340 25 Y C -0.251 175.680 175.900 0.051 0.000 0.972 25 Y CA -1.189 56.949 58.100 0.063 0.000 1.157 25 Y CB 1.147 39.632 38.460 0.040 0.000 1.157 25 Y HN -0.173 nan 8.280 nan 0.000 0.495 26 T N 9.591 123.980 114.554 -0.275 0.000 3.542 26 T HA 0.172 4.522 4.350 0.000 0.000 0.276 26 T C -1.980 172.616 174.700 -0.173 0.000 1.412 26 T CA -0.841 61.136 62.100 -0.204 0.000 1.664 26 T CB 0.624 69.440 68.868 -0.087 0.000 0.863 26 T HN 0.512 nan 8.240 nan 0.000 0.661 27 P HA -0.033 nan 4.420 nan 0.000 0.223 27 P C 0.831 178.134 177.300 0.005 0.000 1.144 27 P CA 1.017 63.981 63.100 -0.226 0.000 0.783 27 P CB 0.581 32.041 31.700 -0.399 0.000 0.771 28 E N -1.887 118.311 120.200 -0.003 0.000 2.474 28 E HA 0.047 4.397 4.350 0.000 0.000 0.195 28 E C 0.153 176.796 176.600 0.072 0.000 1.039 28 E CA -0.482 55.937 56.400 0.031 0.000 0.881 28 E CB -0.758 28.944 29.700 0.003 0.000 0.970 28 E HN 0.232 nan 8.360 nan 0.000 0.486 29 Y N 1.844 122.136 120.300 -0.013 0.000 2.526 29 Y HA 0.057 4.607 4.550 0.000 0.000 0.330 29 Y C 0.035 175.891 175.900 -0.073 0.000 1.156 29 Y CA 0.064 58.143 58.100 -0.034 0.000 1.419 29 Y CB 0.402 38.854 38.460 -0.013 0.000 1.250 29 Y HN -0.135 nan 8.280 nan 0.000 0.540 30 E N 4.123 123.877 120.200 -0.745 0.000 2.134 30 E HA 0.165 4.515 4.350 0.000 0.000 0.278 30 E C -0.347 175.538 176.600 -1.191 0.000 0.959 30 E CA -0.668 55.327 56.400 -0.675 0.000 0.783 30 E CB 0.850 30.307 29.700 -0.405 0.000 1.095 30 E HN 0.737 nan 8.360 nan 0.000 0.399 31 T N 1.009 115.075 114.554 -0.812 0.000 2.930 31 T HA 0.219 4.569 4.350 0.000 0.000 0.306 31 T C 0.462 174.956 174.700 -0.343 0.000 1.045 31 T CA -0.497 61.266 62.100 -0.561 0.000 1.134 31 T CB 0.397 69.037 68.868 -0.380 0.000 0.961 31 T HN 0.255 nan 8.240 nan 0.000 0.545 32 L N 2.283 123.409 121.223 -0.161 0.000 2.418 32 L HA 0.286 4.626 4.340 0.000 0.000 0.265 32 L C 1.340 178.175 176.870 -0.058 0.000 1.143 32 L CA -0.744 54.043 54.840 -0.088 0.000 0.809 32 L CB 0.507 42.563 42.059 -0.004 0.000 1.124 32 L HN 0.743 nan 8.230 nan 0.000 0.456 33 D N 0.162 120.532 120.400 -0.049 0.000 2.378 33 D HA -0.074 4.566 4.640 0.000 0.000 0.227 33 D C 1.479 177.769 176.300 -0.016 0.000 1.012 33 D CA 1.079 55.058 54.000 -0.035 0.000 0.905 33 D CB 0.305 41.088 40.800 -0.028 0.000 0.895 33 D HN 0.730 nan 8.370 nan 0.000 0.532 34 T N -2.798 111.757 114.554 0.001 0.000 3.069 34 T HA 0.047 4.397 4.350 0.000 0.000 0.252 34 T C 0.556 175.275 174.700 0.032 0.000 1.053 34 T CA -0.512 61.602 62.100 0.024 0.000 0.964 34 T CB 0.643 69.536 68.868 0.042 0.000 1.005 34 T HN -0.235 nan 8.240 nan 0.000 0.532 35 D N 1.517 121.935 120.400 0.031 0.000 2.362 35 D HA 0.328 4.968 4.640 0.000 0.000 0.242 35 D C -0.015 176.285 176.300 0.000 0.000 1.132 35 D CA -0.371 53.668 54.000 0.065 0.000 0.907 35 D CB 0.924 41.775 40.800 0.085 0.000 1.195 35 D HN 0.323 nan 8.370 nan 0.000 0.429 36 I N 2.255 122.848 120.570 0.038 0.000 2.315 36 I HA 0.187 4.357 4.170 0.000 0.000 0.291 36 I C -0.109 176.055 176.117 0.078 0.000 1.006 36 I CA -0.558 60.686 61.300 -0.094 0.000 1.265 36 I CB 0.695 38.480 38.000 -0.359 0.000 1.387 36 I HN 0.032 nan 8.210 nan 0.000 0.475 37 L N 6.202 127.346 121.223 -0.131 0.000 2.322 37 L HA 0.766 5.106 4.340 0.000 0.000 0.279 37 L C 0.040 176.801 176.870 -0.182 0.000 1.036 37 L CA -0.584 54.181 54.840 -0.125 0.000 0.807 37 L CB 1.691 43.484 42.059 -0.443 0.000 1.226 37 L HN 0.617 nan 8.230 nan 0.000 0.433 38 A N 2.176 125.105 122.820 0.181 0.000 2.371 38 A HA 0.855 5.175 4.320 0.000 0.000 0.311 38 A C -0.606 177.094 177.584 0.194 0.000 1.068 38 A CA -0.545 51.559 52.037 0.111 0.000 0.744 38 A CB 1.683 20.721 19.000 0.062 0.000 1.239 38 A HN 0.749 nan 8.150 nan 0.000 0.435 39 A N 2.024 124.850 122.820 0.010 0.000 2.277 39 A HA 0.700 5.020 4.320 0.000 0.000 0.318 39 A C -1.136 176.171 177.584 -0.461 0.000 1.339 39 A CA -0.258 51.559 52.037 -0.365 0.000 0.875 39 A CB -0.301 18.324 19.000 -0.625 0.000 1.158 39 A HN 0.603 nan 8.150 nan 0.000 0.514 40 F N 1.368 121.155 119.950 -0.272 0.000 2.420 40 F HA 0.462 4.989 4.527 0.000 0.000 0.342 40 F C 0.986 176.663 175.800 -0.206 0.000 1.113 40 F CA -0.338 57.538 58.000 -0.208 0.000 1.059 40 F CB 1.634 40.533 39.000 -0.168 0.000 1.128 40 F HN 0.599 nan 8.300 nan 0.000 0.475 41 R N 3.914 124.437 120.500 0.038 0.000 2.235 41 R HA 0.502 4.842 4.340 0.000 0.000 0.338 41 R C -1.640 174.674 176.300 0.023 0.000 1.087 41 R CA -0.237 55.876 56.100 0.021 0.000 0.948 41 R CB 0.300 30.614 30.300 0.023 0.000 1.099 41 R HN 0.527 nan 8.270 nan 0.000 0.483 42 V N 3.571 123.504 119.914 0.030 0.000 2.407 42 V HA 0.236 4.356 4.120 0.000 0.000 0.278 42 V C -0.089 176.041 176.094 0.060 0.000 1.037 42 V CA -0.445 61.858 62.300 0.005 0.000 0.900 42 V CB 1.739 33.547 31.823 -0.024 0.000 0.983 42 V HN 0.717 nan 8.190 nan 0.000 0.459 43 S N 6.900 122.619 115.700 0.031 0.000 2.516 43 S HA 0.425 4.895 4.470 0.000 0.000 0.268 43 S C -2.585 172.037 174.600 0.036 0.000 1.251 43 S CA -1.017 57.209 58.200 0.044 0.000 1.153 43 S CB 1.061 64.285 63.200 0.040 0.000 1.009 43 S HN 0.580 nan 8.310 nan 0.000 0.479 44 P HA 0.156 nan 4.420 nan 0.000 0.274 44 P C -0.169 177.137 177.300 0.010 0.000 1.231 44 P CA -0.522 62.584 63.100 0.009 0.000 0.790 44 P CB 0.492 32.196 31.700 0.006 0.000 0.951 45 Q N 2.030 121.824 119.800 -0.011 0.000 2.417 45 Q HA 0.201 4.541 4.340 0.000 0.000 0.241 45 Q C -2.044 173.954 176.000 -0.004 0.000 1.008 45 Q CA -1.486 54.315 55.803 -0.004 0.000 0.901 45 Q CB -0.677 28.054 28.738 -0.012 0.000 1.259 45 Q HN 0.320 nan 8.270 nan 0.000 0.489 46 P HA -0.024 nan 4.420 nan 0.000 0.264 46 P C 0.453 177.749 177.300 -0.007 0.000 1.193 46 P CA 1.231 64.332 63.100 0.002 0.000 0.763 46 P CB 0.333 32.035 31.700 0.002 0.000 0.810 47 G N 1.426 110.221 108.800 -0.008 0.000 2.217 47 G HA2 -0.203 3.757 3.960 0.000 0.000 0.246 47 G HA3 -0.203 3.757 3.960 0.000 0.000 0.246 47 G C -0.034 174.847 174.900 -0.032 0.000 0.990 47 G CA -0.166 44.924 45.100 -0.017 0.000 0.627 47 G HN 0.513 nan 8.290 nan 0.000 0.522 48 V N 3.901 123.791 119.914 -0.039 0.000 2.333 48 V HA 0.469 4.589 4.120 0.000 0.000 0.274 48 V C -1.264 174.779 176.094 -0.086 0.000 1.028 48 V CA -1.416 60.843 62.300 -0.068 0.000 0.851 48 V CB 1.346 33.119 31.823 -0.083 0.000 1.000 48 V HN 0.279 nan 8.190 nan 0.000 0.456 49 P HA 0.217 nan 4.420 nan 0.000 0.271 49 P C -2.310 174.826 177.300 -0.274 0.000 1.218 49 P CA -1.547 61.455 63.100 -0.164 0.000 0.780 49 P CB 0.819 32.432 31.700 -0.145 0.000 0.901 50 P HA -0.214 nan 4.420 nan 0.000 0.216 50 P C 1.300 178.280 177.300 -0.534 0.000 1.157 50 P CA 1.706 64.393 63.100 -0.688 0.000 0.880 50 P CB 0.010 31.002 31.700 -1.181 0.000 0.791 51 E N -0.580 119.289 120.200 -0.551 0.000 2.085 51 E HA -0.217 4.133 4.350 0.000 0.000 0.194 51 E C 2.043 178.402 176.600 -0.401 0.000 0.994 51 E CA 1.319 57.297 56.400 -0.703 0.000 0.801 51 E CB -0.733 28.527 29.700 -0.733 0.000 0.743 51 E HN 0.302 nan 8.360 nan 0.000 0.453 52 E N 0.181 120.226 120.200 -0.257 0.000 2.152 52 E HA -0.022 4.329 4.350 0.000 0.000 0.192 52 E C 1.776 178.271 176.600 -0.174 0.000 0.983 52 E CA 1.072 57.390 56.400 -0.135 0.000 0.818 52 E CB -0.211 29.436 29.700 -0.089 0.000 0.758 52 E HN 0.227 nan 8.360 nan 0.000 0.467 53 A N 0.244 122.923 122.820 -0.235 0.000 1.855 53 A HA -0.019 4.302 4.320 0.000 0.000 0.215 53 A C 2.483 179.906 177.584 -0.269 0.000 1.191 53 A CA 1.703 53.586 52.037 -0.257 0.000 0.613 53 A CB -1.412 17.454 19.000 -0.224 0.000 0.829 53 A HN 0.406 nan 8.150 nan 0.000 0.442 54 G N -0.577 108.072 108.800 -0.252 0.000 2.442 54 G HA2 -0.007 3.953 3.960 0.000 0.000 0.219 54 G HA3 -0.007 3.953 3.960 0.000 0.000 0.219 54 G C 1.709 176.520 174.900 -0.147 0.000 1.141 54 G CA 1.536 46.518 45.100 -0.198 0.000 0.763 54 G HN 0.819 nan 8.290 nan 0.000 0.554 55 A N 1.049 123.804 122.820 -0.107 0.000 1.930 55 A HA 0.345 4.665 4.320 0.000 0.000 0.217 55 A C 2.795 180.236 177.584 -0.240 0.000 1.175 55 A CA 2.048 54.082 52.037 -0.005 0.000 0.627 55 A CB -0.679 18.405 19.000 0.140 0.000 0.815 55 A HN 0.742 nan 8.150 nan 0.000 0.443 56 A N -0.566 122.013 122.820 -0.402 0.000 1.933 56 A HA 0.018 4.338 4.320 0.000 0.000 0.218 56 A C 2.217 179.487 177.584 -0.523 0.000 1.175 56 A CA 1.725 53.223 52.037 -0.897 0.000 0.628 56 A CB -0.829 17.670 19.000 -0.836 0.000 0.814 56 A HN 0.349 nan 8.150 nan 0.000 0.444 57 V N -0.242 119.466 119.914 -0.343 0.000 2.307 57 V HA -0.227 3.893 4.120 0.000 0.000 0.245 57 V C 3.061 179.007 176.094 -0.247 0.000 1.045 57 V CA 1.928 64.047 62.300 -0.302 0.000 1.024 57 V CB -1.127 30.378 31.823 -0.529 0.000 0.651 57 V HN 0.612 nan 8.190 nan 0.000 0.449 58 A N -0.170 122.521 122.820 -0.215 0.000 1.902 58 A HA -0.097 4.223 4.320 0.000 0.000 0.217 58 A C 2.406 179.860 177.584 -0.216 0.000 1.181 58 A CA 2.094 54.057 52.037 -0.123 0.000 0.623 58 A CB -0.767 18.224 19.000 -0.014 0.000 0.818 58 A HN 0.555 nan 8.150 nan 0.000 0.443 59 A N -0.265 122.195 122.820 -0.600 0.000 1.845 59 A HA -0.143 4.177 4.320 0.000 0.000 0.215 59 A C 1.859 179.177 177.584 -0.444 0.000 1.195 59 A CA 1.560 52.957 52.037 -1.066 0.000 0.616 59 A CB -0.499 17.677 19.000 -1.373 0.000 0.832 59 A HN 0.455 nan 8.150 nan 0.000 0.443 60 E N 0.506 120.509 120.200 -0.328 0.000 2.478 60 E HA -0.071 4.279 4.350 0.000 0.000 0.198 60 E C 1.659 178.212 176.600 -0.078 0.000 1.046 60 E CA 1.043 57.355 56.400 -0.146 0.000 0.870 60 E CB -0.189 29.429 29.700 -0.136 0.000 0.818 60 E HN 0.721 nan 8.360 nan 0.000 0.527 61 S N -0.897 114.798 115.700 -0.009 0.000 2.557 61 S HA 0.127 4.598 4.470 0.000 0.000 0.223 61 S C 1.399 176.113 174.600 0.189 0.000 0.969 61 S CA 0.324 58.596 58.200 0.120 0.000 0.927 61 S CB 0.312 63.672 63.200 0.268 0.000 0.806 61 S HN 0.160 nan 8.310 nan 0.000 0.489 62 S N 1.367 117.139 115.700 0.119 0.000 4.640 62 S HA 0.148 4.618 4.470 0.000 0.000 0.157 62 S C 1.379 176.018 174.600 0.065 0.000 0.963 62 S CA 0.568 58.852 58.200 0.140 0.000 1.235 62 S CB -0.274 63.089 63.200 0.273 0.000 1.848 62 S HN 0.509 nan 8.310 nan 0.000 0.751 63 T N -0.773 113.842 114.554 0.102 0.000 2.975 63 T HA 0.500 4.850 4.350 0.000 0.000 0.261 63 T C 0.835 175.592 174.700 0.095 0.000 0.984 63 T CA 0.405 62.565 62.100 0.099 0.000 0.911 63 T CB 0.175 69.148 68.868 0.176 0.000 1.127 63 T HN 0.731 nan 8.240 nan 0.000 0.514 64 G N 0.211 109.039 108.800 0.045 0.000 2.461 64 G HA2 0.572 4.533 3.960 0.000 0.000 0.329 64 G HA3 0.572 4.533 3.960 0.000 0.000 0.329 64 G C -0.961 173.996 174.900 0.095 0.000 1.170 64 G CA -0.351 44.793 45.100 0.074 0.000 0.935 64 G HN 0.270 nan 8.290 nan 0.000 0.492 65 T N -1.165 113.479 114.554 0.149 0.000 2.742 65 T HA 0.399 4.749 4.350 0.000 0.000 0.282 65 T C 0.843 175.681 174.700 0.229 0.000 1.025 65 T CA -0.450 61.770 62.100 0.200 0.000 1.020 65 T CB 0.834 69.769 68.868 0.110 0.000 1.317 65 T HN 0.681 nan 8.240 nan 0.000 0.538 66 W N 0.920 122.319 121.300 0.164 0.000 2.465 66 W HA 0.198 4.858 4.660 0.000 0.000 0.268 66 W C 0.378 176.876 176.519 -0.036 0.000 1.242 66 W CA 0.837 58.225 57.345 0.071 0.000 1.248 66 W CB -1.192 28.332 29.460 0.106 0.000 1.118 66 W HN 0.557 nan 8.180 nan 0.000 0.587 67 T N 0.637 114.650 114.554 -0.902 0.000 2.865 67 T HA 0.359 4.709 4.350 0.000 0.000 0.294 67 T C -0.498 173.963 174.700 -0.399 0.000 1.119 67 T CA -0.375 61.260 62.100 -0.776 0.000 1.007 67 T CB 1.830 69.880 68.868 -1.363 0.000 1.225 67 T HN -0.207 nan 8.240 nan 0.000 0.515 68 T N 2.494 116.935 114.554 -0.189 0.000 2.814 68 T HA 0.464 4.814 4.350 0.000 0.000 0.297 68 T C 0.140 174.938 174.700 0.164 0.000 0.956 68 T CA -0.407 61.706 62.100 0.022 0.000 1.123 68 T CB 0.140 69.073 68.868 0.108 0.000 0.902 68 T HN 0.655 nan 8.240 nan 0.000 0.528 69 V N 3.501 123.442 119.914 0.044 0.000 2.483 69 V HA 0.443 4.563 4.120 0.000 0.000 0.295 69 V C 1.265 177.164 176.094 -0.325 0.000 1.035 69 V CA -1.137 61.081 62.300 -0.136 0.000 0.896 69 V CB 1.104 32.776 31.823 -0.252 0.000 0.986 69 V HN 1.040 nan 8.190 nan 0.000 0.447 70 W N 2.949 123.736 121.300 -0.854 0.000 2.392 70 W HA -0.124 4.536 4.660 0.000 0.000 0.279 70 W C 1.468 177.757 176.519 -0.383 0.000 1.225 70 W CA 1.486 58.249 57.345 -0.970 0.000 1.233 70 W CB -1.746 26.924 29.460 -1.317 0.000 1.122 70 W HN 0.764 nan 8.180 nan 0.000 0.561 71 T N -1.003 112.918 114.554 -1.055 0.000 2.977 71 T HA -0.235 4.115 4.350 0.000 0.000 0.271 71 T C 1.137 175.628 174.700 -0.348 0.000 1.105 71 T CA 1.652 63.219 62.100 -0.887 0.000 1.116 71 T CB -0.621 67.643 68.868 -1.006 0.000 0.878 71 T HN -0.052 nan 8.240 nan 0.000 0.509 72 D N 1.957 122.223 120.400 -0.222 0.000 2.182 72 D HA -0.033 4.607 4.640 0.000 0.000 0.201 72 D C 2.333 178.619 176.300 -0.023 0.000 0.986 72 D CA 1.317 55.269 54.000 -0.081 0.000 0.847 72 D CB -0.893 39.896 40.800 -0.018 0.000 0.942 72 D HN 0.612 nan 8.370 nan 0.000 0.467 73 G N 0.199 109.001 108.800 0.003 0.000 2.509 73 G HA2 -0.146 3.814 3.960 0.000 0.000 0.218 73 G HA3 -0.146 3.814 3.960 0.000 0.000 0.218 73 G C 1.611 176.545 174.900 0.057 0.000 1.124 73 G CA 0.068 45.203 45.100 0.058 0.000 0.776 73 G HN 0.284 nan 8.290 nan 0.000 0.547 74 L N 0.628 121.867 121.223 0.026 0.000 2.395 74 L HA 0.119 4.459 4.340 0.000 0.000 0.218 74 L C 1.352 178.238 176.870 0.026 0.000 1.130 74 L CA 0.499 55.358 54.840 0.032 0.000 0.826 74 L CB -0.348 41.711 42.059 -0.001 0.000 0.941 74 L HN 0.160 nan 8.230 nan 0.000 0.451 75 T N -2.378 112.191 114.554 0.025 0.000 2.844 75 T HA 0.215 4.565 4.350 0.000 0.000 0.274 75 T C -0.197 174.560 174.700 0.096 0.000 0.991 75 T CA -0.611 61.535 62.100 0.077 0.000 0.983 75 T CB 1.272 70.195 68.868 0.092 0.000 1.310 75 T HN -0.157 nan 8.240 nan 0.000 0.596 76 N N 0.972 119.765 118.700 0.156 0.000 2.936 76 N HA 0.180 4.920 4.740 0.000 0.000 0.243 76 N C 0.524 176.100 175.510 0.110 0.000 1.149 76 N CA -0.585 52.512 53.050 0.079 0.000 0.914 76 N CB 0.311 38.804 38.487 0.011 0.000 1.179 76 N HN 0.522 nan 8.380 nan 0.000 0.502 77 L N 2.246 123.526 121.223 0.095 0.000 2.081 77 L HA -0.121 4.219 4.340 0.000 0.000 0.212 77 L C 1.094 177.976 176.870 0.022 0.000 1.080 77 L CA 1.899 56.796 54.840 0.095 0.000 0.754 77 L CB -0.120 41.962 42.059 0.039 0.000 0.893 77 L HN 0.409 nan 8.230 nan 0.000 0.433 78 D N -1.157 119.217 120.400 -0.043 0.000 2.310 78 D HA -0.167 4.473 4.640 0.000 0.000 0.212 78 D C 2.181 178.413 176.300 -0.113 0.000 0.965 78 D CA 0.629 54.577 54.000 -0.088 0.000 0.879 78 D CB -0.168 40.586 40.800 -0.077 0.000 0.921 78 D HN 0.407 nan 8.370 nan 0.000 0.510 79 R N -0.477 119.918 120.500 -0.174 0.000 2.119 79 R HA -0.095 4.245 4.340 0.000 0.000 0.222 79 R C 1.228 177.264 176.300 -0.441 0.000 1.088 79 R CA 0.885 56.774 56.100 -0.352 0.000 0.984 79 R CB 0.115 30.087 30.300 -0.547 0.000 0.884 79 R HN 0.204 nan 8.270 nan 0.000 0.447 80 Y N 0.715 121.008 120.300 -0.011 0.000 2.524 80 Y HA 0.113 4.663 4.550 0.000 0.000 0.270 80 Y C 0.348 176.259 175.900 0.017 0.000 1.094 80 Y CA -0.086 58.013 58.100 -0.001 0.000 1.276 80 Y CB 0.070 38.526 38.460 -0.006 0.000 1.130 80 Y HN -0.076 nan 8.280 nan 0.000 0.536 81 K N 1.459 121.949 120.400 0.150 0.000 2.485 81 K HA 0.235 4.555 4.320 0.000 0.000 0.277 81 K C 0.542 177.202 176.600 0.099 0.000 0.990 81 K CA 0.316 56.699 56.287 0.159 0.000 0.994 81 K CB 0.477 32.979 32.500 0.003 0.000 0.906 81 K HN 0.158 nan 8.250 nan 0.000 0.488 82 G N 2.465 111.370 108.800 0.174 0.000 2.507 82 G HA2 0.336 4.296 3.960 0.000 0.000 0.271 82 G HA3 0.336 4.296 3.960 0.000 0.000 0.271 82 G C -0.728 174.182 174.900 0.017 0.000 1.189 82 G CA -0.991 44.089 45.100 -0.033 0.000 0.859 82 G HN 0.820 nan 8.290 nan 0.000 0.542 83 R N -0.028 120.403 120.500 -0.115 0.000 2.566 83 R HA 0.343 4.683 4.340 0.000 0.000 0.271 83 R C -1.677 174.671 176.300 0.080 0.000 1.071 83 R CA -0.735 55.357 56.100 -0.013 0.000 0.915 83 R CB 0.584 30.774 30.300 -0.183 0.000 1.228 83 R HN 0.491 nan 8.270 nan 0.000 0.449 84 C N 5.205 124.595 119.300 0.150 0.000 2.416 84 C HA 0.302 4.762 4.460 0.000 0.000 0.355 84 C C 0.902 176.036 174.990 0.240 0.000 1.211 84 C CA -0.474 58.660 59.018 0.193 0.000 1.699 84 C CB -1.743 26.138 27.740 0.235 0.000 2.310 84 C HN 0.868 nan 8.230 nan 0.000 0.539 85 Y N 2.946 123.379 120.300 0.222 0.000 2.449 85 Y HA 0.456 5.006 4.550 0.000 0.000 0.254 85 Y C 0.754 176.837 175.900 0.305 0.000 1.140 85 Y CA -0.125 58.099 58.100 0.207 0.000 1.272 85 Y CB -0.440 38.202 38.460 0.303 0.000 1.114 85 Y HN 0.784 nan 8.280 nan 0.000 0.525 86 H N 0.060 119.068 119.070 -0.102 0.000 3.094 86 H HA 0.542 5.099 4.556 0.000 0.000 0.346 86 H C -2.040 173.406 175.328 0.197 0.000 1.238 86 H CA -0.953 55.120 56.048 0.042 0.000 1.209 86 H CB 1.991 31.681 29.762 -0.120 0.000 1.911 86 H HN 0.107 nan 8.280 nan 0.000 0.540 87 I N 3.984 124.246 120.570 -0.513 0.000 2.534 87 I HA 0.175 4.345 4.170 0.000 0.000 0.288 87 I C -0.837 175.061 176.117 -0.365 0.000 1.077 87 I CA -0.554 60.587 61.300 -0.265 0.000 1.051 87 I CB 2.229 40.129 38.000 -0.167 0.000 1.234 87 I HN 0.525 nan 8.210 nan 0.000 0.425 88 E N 7.905 128.084 120.200 -0.035 0.000 2.224 88 E HA 0.546 4.896 4.350 0.000 0.000 0.265 88 E C -2.910 173.803 176.600 0.188 0.000 0.878 88 E CA -2.099 54.358 56.400 0.095 0.000 0.759 88 E CB 2.581 32.426 29.700 0.241 0.000 1.164 88 E HN 0.158 nan 8.360 nan 0.000 0.414 89 P HA 0.009 nan 4.420 nan 0.000 0.271 89 P C -0.146 177.132 177.300 -0.036 0.000 1.218 89 P CA -0.410 62.713 63.100 0.039 0.000 0.780 89 P CB 1.128 32.849 31.700 0.035 0.000 0.901 90 V N 2.811 122.637 119.914 -0.147 0.000 2.432 90 V HA 0.272 4.392 4.120 0.000 0.000 0.271 90 V C 1.071 177.121 176.094 -0.073 0.000 1.046 90 V CA -0.571 61.684 62.300 -0.075 0.000 0.945 90 V CB 0.333 32.110 31.823 -0.076 0.000 0.992 90 V HN 0.727 nan 8.190 nan 0.000 0.471 91 A N 4.364 127.165 122.820 -0.030 0.000 2.524 91 A HA 0.493 4.813 4.320 0.000 0.000 0.250 91 A C 1.522 179.089 177.584 -0.027 0.000 1.078 91 A CA 0.616 52.639 52.037 -0.024 0.000 0.761 91 A CB -0.502 18.492 19.000 -0.008 0.000 1.012 91 A HN 2.154 nan 8.150 nan 0.000 0.500 92 G N 1.389 110.171 108.800 -0.030 0.000 2.162 92 G HA2 -0.176 3.784 3.960 0.000 0.000 0.260 92 G HA3 -0.176 3.784 3.960 0.000 0.000 0.260 92 G C -0.008 174.871 174.900 -0.036 0.000 0.976 92 G CA 0.479 45.564 45.100 -0.025 0.000 0.655 92 G HN 0.789 nan 8.290 nan 0.000 0.533 93 E N 0.589 120.752 120.200 -0.062 0.000 2.202 93 E HA 0.530 4.880 4.350 0.000 0.000 0.272 93 E C -0.335 176.202 176.600 -0.105 0.000 0.951 93 E CA -0.576 55.775 56.400 -0.081 0.000 0.813 93 E CB 1.265 30.903 29.700 -0.105 0.000 1.151 93 E HN 0.430 nan 8.360 nan 0.000 0.398 94 E N 1.591 121.741 120.200 -0.083 0.000 2.081 94 E HA 0.219 4.569 4.350 0.000 0.000 0.276 94 E C -0.311 176.233 176.600 -0.094 0.000 0.950 94 E CA -0.607 55.750 56.400 -0.072 0.000 0.776 94 E CB 0.287 29.965 29.700 -0.036 0.000 1.094 94 E HN 0.337 nan 8.360 nan 0.000 0.402 95 N N 2.593 121.215 118.700 -0.131 0.000 2.714 95 N HA -0.259 4.482 4.740 0.000 0.000 0.253 95 N C -1.316 174.089 175.510 -0.175 0.000 1.024 95 N CA 0.822 53.804 53.050 -0.113 0.000 0.726 95 N CB -0.588 37.902 38.487 0.006 0.000 0.908 95 N HN 0.693 nan 8.380 nan 0.000 0.542 96 Q N 0.798 120.327 119.800 -0.452 0.000 2.289 96 Q HA 0.502 4.843 4.340 0.000 0.000 0.270 96 Q C -1.531 174.109 176.000 -0.599 0.000 1.038 96 Q CA -0.699 54.911 55.803 -0.320 0.000 0.812 96 Q CB 1.063 29.712 28.738 -0.148 0.000 1.300 96 Q HN 0.268 nan 8.270 nan 0.000 0.427 97 Y N 1.832 122.118 120.300 -0.024 0.000 2.576 97 Y HA 0.514 5.064 4.550 0.000 0.000 0.346 97 Y C -0.271 175.614 175.900 -0.025 0.000 1.018 97 Y CA -1.184 56.902 58.100 -0.024 0.000 1.050 97 Y CB 1.501 39.929 38.460 -0.054 0.000 1.280 97 Y HN 0.472 nan 8.280 nan 0.000 0.474 98 I N 2.403 123.064 120.570 0.152 0.000 2.306 98 I HA 0.204 4.374 4.170 0.000 0.000 0.288 98 I C -0.715 175.395 176.117 -0.012 0.000 1.036 98 I CA -0.581 60.738 61.300 0.032 0.000 1.221 98 I CB 0.042 38.086 38.000 0.073 0.000 1.385 98 I HN 0.578 nan 8.210 nan 0.000 0.472 99 C N 7.072 126.341 119.300 -0.053 0.000 2.307 99 C HA 0.425 4.885 4.460 0.000 0.000 0.340 99 C C 0.095 175.032 174.990 -0.088 0.000 1.275 99 C CA -0.643 58.362 59.018 -0.021 0.000 1.811 99 C CB -0.411 27.315 27.740 -0.023 0.000 2.372 99 C HN 0.467 nan 8.230 nan 0.000 0.531 100 Y N 1.928 122.209 120.300 -0.030 0.000 2.313 100 Y HA 0.533 5.083 4.550 0.000 0.000 0.332 100 Y C 0.367 176.182 175.900 -0.142 0.000 1.071 100 Y CA -0.283 57.763 58.100 -0.092 0.000 1.169 100 Y CB 0.781 38.987 38.460 -0.423 0.000 1.192 100 Y HN 0.415 nan 8.280 nan 0.000 0.487 101 V N 2.849 122.931 119.914 0.281 0.000 2.604 101 V HA 0.815 4.935 4.120 0.000 0.000 0.305 101 V C -0.362 175.890 176.094 0.262 0.000 1.043 101 V CA -1.133 61.293 62.300 0.209 0.000 0.888 101 V CB 1.636 33.516 31.823 0.096 0.000 0.995 101 V HN 0.849 nan 8.190 nan 0.000 0.429 102 A N 4.043 126.961 122.820 0.163 0.000 2.318 102 A HA 0.861 5.181 4.320 0.000 0.000 0.324 102 A C -1.476 176.018 177.584 -0.149 0.000 1.170 102 A CA -0.391 51.707 52.037 0.102 0.000 0.810 102 A CB 0.630 19.698 19.000 0.114 0.000 1.198 102 A HN 0.747 nan 8.150 nan 0.000 0.484 103 Y N 2.407 122.823 120.300 0.194 0.000 2.331 103 Y HA 0.424 4.974 4.550 0.000 0.000 0.334 103 Y C -2.379 173.661 175.900 0.234 0.000 0.960 103 Y CA -2.396 55.845 58.100 0.234 0.000 1.130 103 Y CB 1.740 40.461 38.460 0.434 0.000 1.164 103 Y HN 0.494 nan 8.280 nan 0.000 0.458 104 P HA -0.057 nan 4.420 nan 0.000 0.266 104 P C 0.803 178.266 177.300 0.271 0.000 1.195 104 P CA -0.075 63.149 63.100 0.206 0.000 0.768 104 P CB 0.906 32.680 31.700 0.122 0.000 0.838 105 L N 3.380 124.725 121.223 0.204 0.000 2.051 105 L HA -0.236 4.104 4.340 0.000 0.000 0.214 105 L C 1.309 178.312 176.870 0.222 0.000 1.076 105 L CA 2.112 57.076 54.840 0.207 0.000 0.758 105 L CB -1.126 41.013 42.059 0.134 0.000 0.890 105 L HN 0.307 nan 8.230 nan 0.000 0.433 106 D N -0.762 119.740 120.400 0.169 0.000 2.354 106 D HA -0.153 4.487 4.640 0.000 0.000 0.216 106 D C 2.137 178.475 176.300 0.064 0.000 0.970 106 D CA 0.897 54.995 54.000 0.162 0.000 0.905 106 D CB -0.148 40.815 40.800 0.270 0.000 0.903 106 D HN 0.412 nan 8.370 nan 0.000 0.508 107 L N -0.881 120.292 121.223 -0.083 0.000 2.478 107 L HA 0.047 4.387 4.340 0.000 0.000 0.223 107 L C 0.147 176.583 176.870 -0.723 0.000 1.140 107 L CA 0.298 54.868 54.840 -0.450 0.000 0.842 107 L CB -0.118 41.537 42.059 -0.675 0.000 0.953 107 L HN -0.103 nan 8.230 nan 0.000 0.452 108 F N -0.387 119.530 119.950 -0.054 0.000 2.480 108 F HA 0.323 4.850 4.527 0.000 0.000 0.329 108 F C 0.594 176.439 175.800 0.075 0.000 1.091 108 F CA -1.185 56.782 58.000 -0.056 0.000 0.972 108 F CB 1.080 39.885 39.000 -0.325 0.000 1.150 108 F HN -0.187 nan 8.300 nan 0.000 0.467 109 E N 1.650 122.014 120.200 0.272 0.000 2.316 109 E HA 0.155 4.505 4.350 0.000 0.000 0.275 109 E C -0.831 175.921 176.600 0.253 0.000 1.029 109 E CA -0.611 55.902 56.400 0.189 0.000 0.871 109 E CB 0.607 30.366 29.700 0.098 0.000 1.022 109 E HN 0.503 nan 8.360 nan 0.000 0.418 110 E N 2.612 122.891 120.200 0.133 0.000 2.452 110 E HA 0.167 4.517 4.350 0.000 0.000 0.261 110 E C 0.964 177.336 176.600 -0.381 0.000 0.987 110 E CA 1.362 57.728 56.400 -0.057 0.000 0.926 110 E CB 0.507 30.167 29.700 -0.066 0.000 0.934 110 E HN 0.819 nan 8.360 nan 0.000 0.452 111 G N 2.577 110.733 108.800 -1.074 0.000 2.175 111 G HA2 -0.347 3.614 3.960 0.000 0.000 0.265 111 G HA3 -0.347 3.614 3.960 0.000 0.000 0.265 111 G C 0.397 174.830 174.900 -0.778 0.000 0.979 111 G CA 0.618 44.789 45.100 -1.548 0.000 0.663 111 G HN 0.558 nan 8.290 nan 0.000 0.533 112 S N -0.344 115.191 115.700 -0.275 0.000 2.488 112 S HA 0.528 4.998 4.470 0.000 0.000 0.310 112 S C 1.558 176.259 174.600 0.168 0.000 1.093 112 S CA 0.092 58.315 58.200 0.038 0.000 1.129 112 S CB 1.184 64.413 63.200 0.049 0.000 0.989 112 S HN 0.544 nan 8.310 nan 0.000 0.479 113 V N 4.938 124.907 119.914 0.092 0.000 2.490 113 V HA -0.133 3.987 4.120 0.000 0.000 0.250 113 V C 2.584 178.417 176.094 -0.435 0.000 1.061 113 V CA 2.411 64.498 62.300 -0.355 0.000 1.064 113 V CB -1.050 30.234 31.823 -0.898 0.000 0.670 113 V HN 0.833 nan 8.190 nan 0.000 0.461 114 T N 0.039 114.486 114.554 -0.179 0.000 2.665 114 T HA -0.259 4.091 4.350 0.000 0.000 0.268 114 T C 1.918 176.646 174.700 0.047 0.000 1.035 114 T CA 1.992 64.081 62.100 -0.020 0.000 1.151 114 T CB -0.463 68.452 68.868 0.079 0.000 0.862 114 T HN 0.588 nan 8.240 nan 0.000 0.438 115 N N 0.467 119.216 118.700 0.081 0.000 2.171 115 N HA -0.059 4.681 4.740 0.000 0.000 0.184 115 N C 2.126 177.761 175.510 0.208 0.000 1.021 115 N CA 1.039 54.169 53.050 0.133 0.000 0.854 115 N CB -0.208 38.367 38.487 0.147 0.000 0.994 115 N HN 0.394 nan 8.380 nan 0.000 0.426 116 M N -0.097 119.648 119.600 0.242 0.000 2.080 116 M HA -0.191 4.290 4.480 0.000 0.000 0.260 116 M C 1.491 177.968 176.300 0.295 0.000 1.068 116 M CA 1.599 57.073 55.300 0.289 0.000 1.109 116 M CB -0.158 32.487 32.600 0.074 0.000 1.342 116 M HN 0.036 nan 8.290 nan 0.000 0.405 117 F N 0.602 120.555 119.950 0.006 0.000 2.146 117 F HA -0.126 4.401 4.527 0.000 0.000 0.298 117 F C 2.616 178.431 175.800 0.024 0.000 1.096 117 F CA 1.644 59.637 58.000 -0.011 0.000 1.275 117 F CB -1.712 37.268 39.000 -0.032 0.000 1.008 117 F HN 0.201 nan 8.300 nan 0.000 0.480 118 T N -0.715 113.978 114.554 0.232 0.000 2.737 118 T HA -0.188 4.162 4.350 0.000 0.000 0.269 118 T C 2.354 177.109 174.700 0.091 0.000 1.040 118 T CA 1.785 63.964 62.100 0.131 0.000 1.142 118 T CB -0.341 68.584 68.868 0.093 0.000 0.861 118 T HN 0.146 nan 8.240 nan 0.000 0.456 119 S N 0.578 116.333 115.700 0.092 0.000 2.325 119 S HA 0.153 4.623 4.470 0.000 0.000 0.214 119 S C 2.056 176.690 174.600 0.057 0.000 1.031 119 S CA 0.586 58.804 58.200 0.030 0.000 0.972 119 S CB -0.248 62.911 63.200 -0.069 0.000 0.908 119 S HN 0.406 nan 8.310 nan 0.000 0.453 120 I N 0.766 121.367 120.570 0.052 0.000 2.394 120 I HA -0.043 4.127 4.170 0.000 0.000 0.251 120 I C 1.383 177.694 176.117 0.323 0.000 1.136 120 I CA 0.987 62.350 61.300 0.105 0.000 1.425 120 I CB -0.014 37.971 38.000 -0.026 0.000 1.079 120 I HN 0.128 nan 8.210 nan 0.000 0.425 121 V N 0.248 120.285 119.914 0.205 0.000 3.346 121 V HA 0.237 4.357 4.120 0.000 0.000 0.309 121 V C 1.829 177.973 176.094 0.083 0.000 1.457 121 V CA 0.569 62.981 62.300 0.187 0.000 1.069 121 V CB 0.601 32.337 31.823 -0.145 0.000 0.944 121 V HN 0.408 nan 8.190 nan 0.000 0.449 122 G N 1.030 109.888 108.800 0.098 0.000 2.414 122 G HA2 -0.165 3.795 3.960 0.000 0.000 0.215 122 G HA3 -0.165 3.795 3.960 0.000 0.000 0.215 122 G C 1.134 176.050 174.900 0.027 0.000 1.188 122 G CA 1.073 46.202 45.100 0.048 0.000 0.783 122 G HN 0.547 nan 8.290 nan 0.000 0.537 123 N N -0.488 118.218 118.700 0.010 0.000 2.211 123 N HA 0.009 4.749 4.740 0.000 0.000 0.216 123 N C 2.159 177.574 175.510 -0.158 0.000 1.240 123 N CA 0.794 53.798 53.050 -0.077 0.000 0.895 123 N CB 0.569 38.961 38.487 -0.158 0.000 1.102 123 N HN 0.290 nan 8.380 nan 0.000 0.498 124 V N -1.225 118.636 119.914 -0.087 0.000 2.594 124 V HA -0.053 4.067 4.120 0.000 0.000 0.253 124 V C 1.635 177.699 176.094 -0.049 0.000 1.069 124 V CA 1.263 63.453 62.300 -0.183 0.000 1.082 124 V CB -1.169 30.551 31.823 -0.172 0.000 0.680 124 V HN -0.081 nan 8.190 nan 0.000 0.469 125 F N 2.441 122.361 119.950 -0.049 0.000 2.641 125 F HA 0.306 4.833 4.527 0.000 0.000 0.298 125 F C 2.236 178.106 175.800 0.116 0.000 1.146 125 F CA 0.995 59.022 58.000 0.045 0.000 1.464 125 F CB -0.681 38.336 39.000 0.028 0.000 1.101 125 F HN 0.351 nan 8.300 nan 0.000 0.585 126 G N -1.695 107.205 108.800 0.167 0.000 3.277 126 G HA2 0.033 3.993 3.960 0.000 0.000 0.243 126 G HA3 0.033 3.993 3.960 0.000 0.000 0.243 126 G C 0.116 175.076 174.900 0.099 0.000 1.107 126 G CA -0.205 44.960 45.100 0.109 0.000 0.771 126 G HN -0.020 nan 8.290 nan 0.000 0.544 127 F N 1.788 121.752 119.950 0.024 0.000 2.602 127 F HA 0.154 4.681 4.527 0.000 0.000 0.385 127 F C 1.748 177.548 175.800 -0.000 0.000 1.063 127 F CA -0.193 57.803 58.000 -0.006 0.000 1.233 127 F CB 0.995 39.962 39.000 -0.055 0.000 1.067 127 F HN -0.000 nan 8.300 nan 0.000 0.564 128 K N 3.044 123.620 120.400 0.294 0.000 2.152 128 K HA -0.161 4.159 4.320 0.000 0.000 0.206 128 K C 1.926 178.569 176.600 0.072 0.000 1.048 128 K CA 1.321 57.688 56.287 0.134 0.000 0.933 128 K CB -0.108 32.450 32.500 0.095 0.000 0.721 128 K HN 0.694 nan 8.250 nan 0.000 0.447 129 A N 0.817 123.652 122.820 0.024 0.000 2.216 129 A HA 0.021 4.341 4.320 0.000 0.000 0.214 129 A C 0.688 178.230 177.584 -0.069 0.000 1.160 129 A CA 0.670 52.659 52.037 -0.080 0.000 0.725 129 A CB -0.198 18.665 19.000 -0.228 0.000 0.784 129 A HN 0.108 nan 8.150 nan 0.000 0.472 130 L N -1.702 119.519 121.223 -0.003 0.000 2.346 130 L HA 0.435 4.775 4.340 0.000 0.000 0.274 130 L C 1.234 178.130 176.870 0.042 0.000 1.007 130 L CA -0.734 54.108 54.840 0.004 0.000 0.818 130 L CB 1.758 43.824 42.059 0.012 0.000 1.284 130 L HN 0.142 nan 8.230 nan 0.000 0.424 131 R N 1.276 121.799 120.500 0.037 0.000 2.100 131 R HA 0.317 4.657 4.340 0.000 0.000 0.220 131 R C 0.135 176.487 176.300 0.087 0.000 1.091 131 R CA 0.802 56.930 56.100 0.047 0.000 0.986 131 R CB 0.403 30.724 30.300 0.034 0.000 0.888 131 R HN 0.748 nan 8.270 nan 0.000 0.444 132 A N 0.168 123.058 122.820 0.116 0.000 2.610 132 A HA 0.620 4.940 4.320 0.000 0.000 0.291 132 A C -2.056 175.602 177.584 0.123 0.000 1.086 132 A CA -0.613 51.574 52.037 0.250 0.000 0.677 132 A CB 1.715 20.846 19.000 0.217 0.000 1.278 132 A HN 0.044 nan 8.150 nan 0.000 0.414 133 L N 0.208 121.466 121.223 0.058 0.000 2.565 133 L HA 0.746 5.087 4.340 0.000 0.000 0.261 133 L C -0.796 175.934 176.870 -0.234 0.000 0.932 133 L CA -0.065 54.617 54.840 -0.264 0.000 0.878 133 L CB 1.956 43.597 42.059 -0.697 0.000 1.333 133 L HN 0.852 nan 8.230 nan 0.000 0.409 134 R N 3.879 124.354 120.500 -0.041 0.000 2.575 134 R HA 0.624 4.964 4.340 0.000 0.000 0.293 134 R C -1.846 174.539 176.300 0.141 0.000 0.983 134 R CA -0.906 55.271 56.100 0.127 0.000 0.887 134 R CB 1.799 32.154 30.300 0.092 0.000 1.184 134 R HN 0.658 nan 8.270 nan 0.000 0.445 135 L N 4.358 125.702 121.223 0.202 0.000 2.260 135 L HA 0.266 4.606 4.340 0.000 0.000 0.289 135 L C 0.675 177.477 176.870 -0.114 0.000 1.057 135 L CA 0.480 55.269 54.840 -0.084 0.000 0.811 135 L CB 1.220 43.227 42.059 -0.087 0.000 1.184 135 L HN 0.712 nan 8.230 nan 0.000 0.429 136 E N 2.231 122.271 120.200 -0.267 0.000 2.166 136 E HA 0.103 4.453 4.350 0.000 0.000 0.192 136 E C -0.255 176.165 176.600 -0.299 0.000 0.967 136 E CA 0.487 56.696 56.400 -0.319 0.000 0.840 136 E CB 0.469 29.727 29.700 -0.738 0.000 0.795 136 E HN 0.684 nan 8.360 nan 0.000 0.470 137 D N -1.107 119.122 120.400 -0.285 0.000 2.653 137 D HA 0.390 5.030 4.640 0.000 0.000 0.258 137 D C -1.533 174.842 176.300 0.125 0.000 1.252 137 D CA -0.467 53.526 54.000 -0.012 0.000 0.777 137 D CB 1.402 42.252 40.800 0.083 0.000 1.339 137 D HN -0.154 nan 8.370 nan 0.000 0.422 138 L N 1.376 122.674 121.223 0.125 0.000 2.436 138 L HA 0.494 4.834 4.340 0.000 0.000 0.268 138 L C -0.299 176.469 176.870 -0.170 0.000 0.974 138 L CA -0.891 53.912 54.840 -0.062 0.000 0.826 138 L CB 2.248 44.256 42.059 -0.085 0.000 1.291 138 L HN 0.182 nan 8.230 nan 0.000 0.406 139 R N 4.207 124.384 120.500 -0.538 0.000 2.204 139 R HA 0.457 4.797 4.340 0.000 0.000 0.341 139 R C -0.961 175.138 176.300 -0.335 0.000 1.035 139 R CA -0.473 55.347 56.100 -0.466 0.000 0.887 139 R CB 0.357 30.225 30.300 -0.720 0.000 1.114 139 R HN 0.570 nan 8.270 nan 0.000 0.473 140 I N 7.929 128.317 120.570 -0.303 0.000 2.337 140 I HA 0.191 4.361 4.170 0.000 0.000 0.291 140 I C -1.630 174.356 176.117 -0.219 0.000 1.046 140 I CA -1.905 59.240 61.300 -0.259 0.000 1.324 140 I CB 1.433 39.260 38.000 -0.288 0.000 1.409 140 I HN 0.302 nan 8.210 nan 0.000 0.494 141 P HA -0.051 nan 4.420 nan 0.000 0.268 141 P C 1.052 178.339 177.300 -0.021 0.000 1.205 141 P CA -0.087 62.975 63.100 -0.063 0.000 0.771 141 P CB 1.108 32.796 31.700 -0.021 0.000 0.858 142 V N 0.694 120.591 119.914 -0.027 0.000 2.720 142 V HA -0.188 3.932 4.120 0.000 0.000 0.256 142 V C 2.163 178.290 176.094 0.055 0.000 1.082 142 V CA 1.912 64.213 62.300 0.001 0.000 1.101 142 V CB -1.994 29.833 31.823 0.006 0.000 0.693 142 V HN 0.523 nan 8.190 nan 0.000 0.479 143 A N -1.048 121.815 122.820 0.073 0.000 2.014 143 A HA -0.063 4.257 4.320 0.000 0.000 0.218 143 A C 2.095 179.784 177.584 0.175 0.000 1.163 143 A CA 1.629 53.726 52.037 0.100 0.000 0.652 143 A CB -0.677 18.377 19.000 0.090 0.000 0.808 143 A HN 0.693 nan 8.150 nan 0.000 0.449 144 Y N -0.159 120.168 120.300 0.045 0.000 2.347 144 Y HA 0.017 4.567 4.550 0.000 0.000 0.294 144 Y C 2.279 178.315 175.900 0.228 0.000 1.117 144 Y CA 0.908 59.072 58.100 0.106 0.000 1.184 144 Y CB -0.147 38.339 38.460 0.043 0.000 1.047 144 Y HN 0.046 nan 8.280 nan 0.000 0.546 145 V N 0.766 120.765 119.914 0.142 0.000 2.332 145 V HA -0.320 3.800 4.120 0.000 0.000 0.248 145 V C 2.192 178.395 176.094 0.183 0.000 1.055 145 V CA 2.057 64.423 62.300 0.109 0.000 1.038 145 V CB -0.514 31.334 31.823 0.041 0.000 0.651 145 V HN 0.229 nan 8.190 nan 0.000 0.450 146 K N 0.601 121.069 120.400 0.113 0.000 2.519 146 K HA -0.079 4.241 4.320 0.000 0.000 0.196 146 K C 1.953 178.564 176.600 0.018 0.000 1.041 146 K CA 1.462 57.793 56.287 0.073 0.000 0.954 146 K CB -0.750 31.780 32.500 0.051 0.000 0.774 146 K HN 0.770 nan 8.250 nan 0.000 0.480 147 T N -2.328 112.202 114.554 -0.039 0.000 3.129 147 T HA 0.143 4.494 4.350 0.000 0.000 0.251 147 T C 0.436 174.877 174.700 -0.431 0.000 1.117 147 T CA -0.236 61.716 62.100 -0.246 0.000 1.034 147 T CB -0.214 68.430 68.868 -0.373 0.000 0.968 147 T HN -0.165 nan 8.240 nan 0.000 0.526 148 F N 1.020 120.882 119.950 -0.147 0.000 2.507 148 F HA 0.505 5.033 4.527 0.000 0.000 0.327 148 F C 1.502 177.268 175.800 -0.058 0.000 1.068 148 F CA -1.355 56.584 58.000 -0.101 0.000 0.965 148 F CB 2.024 40.954 39.000 -0.117 0.000 1.192 148 F HN -0.135 nan 8.300 nan 0.000 0.476 149 Q N 1.864 121.752 119.800 0.147 0.000 2.137 149 Q HA 0.241 4.581 4.340 0.000 0.000 0.198 149 Q C 0.997 177.034 176.000 0.063 0.000 0.960 149 Q CA 1.151 56.983 55.803 0.047 0.000 0.847 149 Q CB -0.020 28.719 28.738 0.002 0.000 0.915 149 Q HN 1.006 nan 8.270 nan 0.000 0.448 150 G N 0.466 109.330 108.800 0.106 0.000 2.642 150 G HA2 -0.241 3.719 3.960 0.000 0.000 0.231 150 G HA3 -0.241 3.719 3.960 0.000 0.000 0.231 150 G C -2.555 172.328 174.900 -0.029 0.000 1.338 150 G CA -0.438 44.671 45.100 0.015 0.000 0.883 150 G HN 0.315 nan 8.290 nan 0.000 0.570 151 P HA 0.199 nan 4.420 nan 0.000 0.265 151 P C -1.732 175.497 177.300 -0.118 0.000 1.187 151 P CA -0.344 62.701 63.100 -0.092 0.000 0.766 151 P CB 0.422 32.062 31.700 -0.099 0.000 0.820 152 P HA -0.148 nan 4.420 nan 0.000 0.218 152 P C 0.428 177.266 177.300 -0.769 0.000 1.149 152 P CA 1.858 64.751 63.100 -0.346 0.000 0.817 152 P CB 0.130 31.708 31.700 -0.203 0.000 0.785 153 H N -3.650 115.402 119.070 -0.031 0.000 1.955 153 H HA 0.452 5.008 4.556 0.000 0.000 0.196 153 H C 0.862 176.180 175.328 -0.016 0.000 0.891 153 H CA 0.730 56.765 56.048 -0.020 0.000 1.001 153 H CB -0.050 29.700 29.762 -0.019 0.000 1.195 153 H HN 0.055 nan 8.280 nan 0.000 0.384 154 G N 0.458 109.305 108.800 0.078 0.000 2.662 154 G HA2 -0.198 3.762 3.960 0.000 0.000 0.686 154 G HA3 -0.198 3.762 3.960 0.000 0.000 0.686 154 G C 0.633 175.573 174.900 0.067 0.000 1.271 154 G CA -0.196 44.924 45.100 0.034 0.000 0.816 154 G HN 0.253 nan 8.290 nan 0.000 0.608 155 I N 0.161 120.758 120.570 0.046 0.000 2.113 155 I HA -0.318 3.852 4.170 0.000 0.000 0.242 155 I C 2.912 179.077 176.117 0.080 0.000 1.064 155 I CA 2.535 63.871 61.300 0.061 0.000 1.320 155 I CB -0.241 37.785 38.000 0.043 0.000 1.028 155 I HN 0.770 nan 8.210 nan 0.000 0.406 156 Q N 0.978 120.825 119.800 0.078 0.000 2.020 156 Q HA -0.186 4.154 4.340 0.000 0.000 0.202 156 Q C 2.390 178.455 176.000 0.109 0.000 0.982 156 Q CA 2.202 58.065 55.803 0.100 0.000 0.838 156 Q CB -0.017 28.770 28.738 0.083 0.000 0.899 156 Q HN 0.389 nan 8.270 nan 0.000 0.423 157 V N 1.357 121.332 119.914 0.101 0.000 2.343 157 V HA -0.258 3.862 4.120 0.000 0.000 0.247 157 V C 2.317 178.460 176.094 0.082 0.000 1.051 157 V CA 2.240 64.605 62.300 0.108 0.000 1.036 157 V CB -0.748 31.168 31.823 0.154 0.000 0.654 157 V HN 0.501 nan 8.190 nan 0.000 0.451 158 E N 0.345 120.596 120.200 0.086 0.000 2.051 158 E HA -0.245 4.106 4.350 0.000 0.000 0.192 158 E C 2.451 179.067 176.600 0.026 0.000 0.991 158 E CA 1.393 57.829 56.400 0.060 0.000 0.799 158 E CB -0.083 29.683 29.700 0.111 0.000 0.748 158 E HN 0.527 nan 8.360 nan 0.000 0.449 159 R N 0.345 120.853 120.500 0.013 0.000 2.096 159 R HA -0.116 4.224 4.340 0.000 0.000 0.235 159 R C 1.927 178.101 176.300 -0.210 0.000 1.127 159 R CA 1.402 57.418 56.100 -0.140 0.000 0.968 159 R CB -0.155 30.098 30.300 -0.078 0.000 0.861 159 R HN 0.270 nan 8.270 nan 0.000 0.440 160 D N 0.550 120.966 120.400 0.026 0.000 2.117 160 D HA -0.103 4.537 4.640 0.000 0.000 0.198 160 D C 1.810 178.130 176.300 0.034 0.000 0.982 160 D CA 1.040 55.106 54.000 0.109 0.000 0.828 160 D CB 0.013 40.900 40.800 0.146 0.000 0.967 160 D HN 0.012 nan 8.370 nan 0.000 0.464 161 K N 0.444 120.846 120.400 0.004 0.000 2.057 161 K HA -0.007 4.313 4.320 0.000 0.000 0.207 161 K C 2.205 178.792 176.600 -0.022 0.000 1.049 161 K CA 0.477 56.755 56.287 -0.014 0.000 0.931 161 K CB -0.311 32.157 32.500 -0.053 0.000 0.714 161 K HN 0.272 nan 8.250 nan 0.000 0.440 162 L N 0.233 121.427 121.223 -0.048 0.000 2.509 162 L HA 0.074 4.414 4.340 0.000 0.000 0.222 162 L C 0.549 177.342 176.870 -0.130 0.000 1.123 162 L CA -0.021 54.781 54.840 -0.063 0.000 0.856 162 L CB -0.503 41.532 42.059 -0.039 0.000 0.985 162 L HN 0.394 nan 8.230 nan 0.000 0.456 163 N N 1.555 120.134 118.700 -0.203 0.000 2.756 163 N HA -0.175 4.565 4.740 0.000 0.000 0.248 163 N C -0.542 174.732 175.510 -0.395 0.000 1.062 163 N CA 0.391 53.302 53.050 -0.232 0.000 0.696 163 N CB -0.354 38.115 38.487 -0.031 0.000 0.946 163 N HN 0.379 nan 8.380 nan 0.000 0.548 164 K N 1.565 121.540 120.400 -0.708 0.000 2.463 164 K HA 0.421 4.741 4.320 0.000 0.000 0.255 164 K C -1.501 174.691 176.600 -0.680 0.000 0.942 164 K CA -0.367 55.626 56.287 -0.490 0.000 0.814 164 K CB 1.154 33.491 32.500 -0.272 0.000 1.122 164 K HN 0.120 nan 8.250 nan 0.000 0.425 165 Y N -0.644 119.662 120.300 0.010 0.000 2.544 165 Y HA 0.407 4.957 4.550 0.000 0.000 0.342 165 Y C 0.902 176.810 175.900 0.014 0.000 1.062 165 Y CA -0.773 57.336 58.100 0.015 0.000 1.023 165 Y CB 2.525 40.995 38.460 0.016 0.000 1.308 165 Y HN 0.755 nan 8.280 nan 0.000 0.457 166 G N 1.566 110.476 108.800 0.183 0.000 2.141 166 G HA2 -0.180 3.780 3.960 0.000 0.000 0.242 166 G HA3 -0.180 3.780 3.960 0.000 0.000 0.242 166 G C -0.245 174.700 174.900 0.075 0.000 0.982 166 G CA 0.207 45.373 45.100 0.110 0.000 0.662 166 G HN 0.957 nan 8.290 nan 0.000 0.527 167 R N -1.876 118.663 120.500 0.065 0.000 2.753 167 R HA 0.566 4.907 4.340 0.000 0.000 0.272 167 R C -3.532 172.792 176.300 0.039 0.000 1.034 167 R CA -1.646 54.484 56.100 0.050 0.000 0.869 167 R CB 0.350 30.673 30.300 0.037 0.000 1.264 167 R HN 0.028 nan 8.270 nan 0.000 0.481 168 P HA 0.132 nan 4.420 nan 0.000 0.272 168 P C -0.545 176.763 177.300 0.013 0.000 1.230 168 P CA -0.334 62.785 63.100 0.032 0.000 0.788 168 P CB 0.504 32.234 31.700 0.050 0.000 0.949 169 L N 1.615 122.840 121.223 0.003 0.000 2.399 169 L HA 0.387 4.727 4.340 0.000 0.000 0.266 169 L C 0.193 177.076 176.870 0.023 0.000 1.114 169 L CA -0.589 54.241 54.840 -0.015 0.000 0.804 169 L CB 0.218 42.300 42.059 0.039 0.000 1.146 169 L HN 0.170 nan 8.230 nan 0.000 0.451 170 L N 1.309 122.523 121.223 -0.015 0.000 2.322 170 L HA 0.680 5.020 4.340 0.000 0.000 0.281 170 L C 0.324 177.250 176.870 0.094 0.000 1.014 170 L CA -0.260 54.622 54.840 0.069 0.000 0.815 170 L CB 1.742 43.833 42.059 0.052 0.000 1.247 170 L HN 0.699 nan 8.230 nan 0.000 0.421 171 G N 0.791 109.679 108.800 0.147 0.000 3.042 171 G HA2 0.640 4.600 3.960 0.000 0.000 0.278 171 G HA3 0.640 4.600 3.960 0.000 0.000 0.278 171 G C -1.803 173.122 174.900 0.042 0.000 1.371 171 G CA -0.516 44.647 45.100 0.105 0.000 1.009 171 G HN 0.689 nan 8.290 nan 0.000 0.523 172 C N -0.016 119.247 119.300 -0.061 0.000 3.050 172 C HA 0.617 5.077 4.460 0.000 0.000 0.416 172 C C -0.273 174.652 174.990 -0.108 0.000 0.994 172 C CA -0.509 58.485 59.018 -0.039 0.000 1.222 172 C CB 0.310 28.055 27.740 0.008 0.000 1.612 172 C HN 0.809 nan 8.230 nan 0.000 0.550 173 T N 7.166 121.672 114.554 -0.080 0.000 2.794 173 T HA 0.381 4.731 4.350 0.000 0.000 0.296 173 T C 0.559 175.222 174.700 -0.062 0.000 0.949 173 T CA -0.174 61.879 62.100 -0.077 0.000 1.101 173 T CB 0.293 69.138 68.868 -0.038 0.000 0.905 173 T HN 0.579 nan 8.240 nan 0.000 0.516 174 I N 4.206 124.722 120.570 -0.089 0.000 2.648 174 I HA 0.204 4.374 4.170 0.000 0.000 0.284 174 I C 0.684 176.741 176.117 -0.099 0.000 1.153 174 I CA 0.079 61.265 61.300 -0.190 0.000 1.426 174 I CB 0.045 37.691 38.000 -0.589 0.000 1.381 174 I HN 0.425 nan 8.210 nan 0.000 0.571 175 K N 6.743 127.095 120.400 -0.081 0.000 2.395 175 K HA 0.577 4.897 4.320 0.000 0.000 0.247 175 K C -2.390 174.196 176.600 -0.023 0.000 0.973 175 K CA -1.679 54.596 56.287 -0.020 0.000 0.828 175 K CB 1.550 34.053 32.500 0.005 0.000 1.272 175 K HN 0.292 nan 8.250 nan 0.000 0.439 176 P HA 0.132 nan 4.420 nan 0.000 0.270 176 P C 0.284 177.593 177.300 0.016 0.000 1.223 176 P CA -0.169 62.930 63.100 -0.002 0.000 0.785 176 P CB 0.859 32.544 31.700 -0.026 0.000 0.923 177 K N 0.314 120.721 120.400 0.012 0.000 2.034 177 K HA -0.092 4.228 4.320 0.000 0.000 0.214 177 K C 0.833 177.465 176.600 0.052 0.000 1.051 177 K CA 1.302 57.611 56.287 0.038 0.000 0.931 177 K CB -0.340 32.168 32.500 0.014 0.000 0.715 177 K HN 0.404 nan 8.250 nan 0.000 0.446 178 L N -1.975 119.208 121.223 -0.067 0.000 2.309 178 L HA 0.403 4.743 4.340 0.000 0.000 0.261 178 L C 0.868 177.385 176.870 -0.588 0.000 1.021 178 L CA -0.276 54.389 54.840 -0.293 0.000 0.823 178 L CB 2.160 44.075 42.059 -0.240 0.000 1.366 178 L HN 0.501 nan 8.230 nan 0.000 0.423 179 G N 0.876 108.815 108.800 -1.435 0.000 2.259 179 G HA2 -0.194 3.766 3.960 0.000 0.000 0.217 179 G HA3 -0.194 3.766 3.960 0.000 0.000 0.217 179 G C -0.076 174.638 174.900 -0.310 0.000 1.001 179 G CA -0.497 44.062 45.100 -0.901 0.000 0.627 179 G HN 0.317 nan 8.290 nan 0.000 0.501 180 L N 2.337 123.536 121.223 -0.040 0.000 2.417 180 L HA 0.539 4.879 4.340 0.000 0.000 0.268 180 L C 1.524 178.587 176.870 0.322 0.000 1.158 180 L CA 0.063 55.014 54.840 0.186 0.000 0.819 180 L CB 1.312 43.553 42.059 0.305 0.000 1.112 180 L HN 0.498 nan 8.230 nan 0.000 0.458 181 S N 1.320 117.153 115.700 0.222 0.000 2.645 181 S HA 0.361 4.831 4.470 0.000 0.000 0.266 181 S C 0.958 175.655 174.600 0.161 0.000 1.258 181 S CA -0.195 58.114 58.200 0.181 0.000 0.990 181 S CB 1.538 64.788 63.200 0.084 0.000 0.967 181 S HN 0.690 nan 8.310 nan 0.000 0.556 182 A N 1.038 123.921 122.820 0.106 0.000 1.877 182 A HA -0.087 4.233 4.320 0.000 0.000 0.216 182 A C 2.164 179.700 177.584 -0.081 0.000 1.186 182 A CA 1.700 53.816 52.037 0.131 0.000 0.620 182 A CB -0.920 18.258 19.000 0.297 0.000 0.822 182 A HN 0.900 nan 8.150 nan 0.000 0.443 183 K N -0.331 119.786 120.400 -0.473 0.000 2.097 183 K HA -0.129 4.191 4.320 0.000 0.000 0.205 183 K C 1.719 178.160 176.600 -0.265 0.000 1.050 183 K CA 1.565 57.370 56.287 -0.803 0.000 0.938 183 K CB -0.269 31.748 32.500 -0.804 0.000 0.718 183 K HN 0.648 nan 8.250 nan 0.000 0.442 184 N N -0.778 117.870 118.700 -0.086 0.000 2.244 184 N HA -0.154 4.586 4.740 0.000 0.000 0.183 184 N C 1.539 177.089 175.510 0.067 0.000 1.016 184 N CA 0.684 53.736 53.050 0.002 0.000 0.866 184 N CB -0.063 38.444 38.487 0.034 0.000 0.980 184 N HN 0.157 nan 8.380 nan 0.000 0.430 185 Y N 1.214 121.511 120.300 -0.006 0.000 2.145 185 Y HA -0.118 4.432 4.550 0.000 0.000 0.286 185 Y C 2.491 178.397 175.900 0.010 0.000 1.145 185 Y CA 1.699 59.820 58.100 0.034 0.000 1.148 185 Y CB -0.659 37.849 38.460 0.080 0.000 0.981 185 Y HN 0.016 nan 8.280 nan 0.000 0.507 186 G N -0.452 108.452 108.800 0.173 0.000 2.418 186 G HA2 -0.311 3.649 3.960 0.000 0.000 0.217 186 G HA3 -0.311 3.649 3.960 0.000 0.000 0.217 186 G C 1.736 176.694 174.900 0.097 0.000 1.158 186 G CA 0.920 46.093 45.100 0.122 0.000 0.771 186 G HN 0.369 nan 8.290 nan 0.000 0.545 187 R N 0.702 121.238 120.500 0.059 0.000 2.080 187 R HA -0.030 4.310 4.340 0.000 0.000 0.236 187 R C 2.764 179.115 176.300 0.084 0.000 1.137 187 R CA 1.853 58.004 56.100 0.085 0.000 0.943 187 R CB -0.562 29.757 30.300 0.031 0.000 0.846 187 R HN 0.248 nan 8.270 nan 0.000 0.431 188 A N 0.466 123.293 122.820 0.011 0.000 1.902 188 A HA -0.091 4.229 4.320 0.000 0.000 0.217 188 A C 2.343 179.906 177.584 -0.035 0.000 1.181 188 A CA 1.634 53.648 52.037 -0.038 0.000 0.623 188 A CB -0.569 18.360 19.000 -0.118 0.000 0.818 188 A HN 0.260 nan 8.150 nan 0.000 0.443 189 V N -1.181 118.723 119.914 -0.017 0.000 2.343 189 V HA -0.274 3.846 4.120 0.000 0.000 0.247 189 V C 2.380 178.509 176.094 0.059 0.000 1.051 189 V CA 2.156 64.469 62.300 0.022 0.000 1.036 189 V CB -0.964 30.863 31.823 0.006 0.000 0.654 189 V HN 0.766 nan 8.190 nan 0.000 0.451 190 Y N 1.348 121.647 120.300 -0.002 0.000 2.163 190 Y HA -0.172 4.378 4.550 0.000 0.000 0.288 190 Y C 2.539 178.443 175.900 0.007 0.000 1.136 190 Y CA 1.800 59.906 58.100 0.010 0.000 1.147 190 Y CB -0.306 38.167 38.460 0.021 0.000 0.987 190 Y HN 0.251 nan 8.280 nan 0.000 0.509 191 E N -0.142 119.860 120.200 -0.330 0.000 2.077 191 E HA -0.220 4.131 4.350 0.000 0.000 0.193 191 E C 2.494 178.937 176.600 -0.261 0.000 0.989 191 E CA 1.465 57.634 56.400 -0.386 0.000 0.800 191 E CB -1.000 28.611 29.700 -0.149 0.000 0.746 191 E HN 0.552 nan 8.360 nan 0.000 0.452 192 C N 0.847 120.058 119.300 -0.148 0.000 2.413 192 C HA -0.119 4.341 4.460 0.000 0.000 0.278 192 C C 2.932 177.856 174.990 -0.110 0.000 1.224 192 C CA 0.531 59.488 59.018 -0.101 0.000 1.732 192 C CB -1.255 26.453 27.740 -0.053 0.000 2.050 192 C HN 0.367 nan 8.230 nan 0.000 0.463 193 L N 1.247 122.413 121.223 -0.095 0.000 2.042 193 L HA -0.191 4.149 4.340 0.000 0.000 0.210 193 L C 2.893 179.702 176.870 -0.101 0.000 1.076 193 L CA 2.004 56.801 54.840 -0.071 0.000 0.749 193 L CB -0.790 41.264 42.059 -0.009 0.000 0.893 193 L HN 0.494 nan 8.230 nan 0.000 0.432 194 R N 0.523 120.907 120.500 -0.192 0.000 2.241 194 R HA -0.081 4.259 4.340 0.000 0.000 0.224 194 R C 1.915 178.138 176.300 -0.127 0.000 1.101 194 R CA 1.293 57.288 56.100 -0.175 0.000 0.995 194 R CB -0.751 29.337 30.300 -0.354 0.000 0.870 194 R HN 0.284 nan 8.270 nan 0.000 0.463 195 G N -0.527 108.192 108.800 -0.136 0.000 2.712 195 G HA2 0.219 4.179 3.960 0.000 0.000 0.212 195 G HA3 0.219 4.179 3.960 0.000 0.000 0.212 195 G C 0.945 175.799 174.900 -0.077 0.000 1.142 195 G CA 0.329 45.368 45.100 -0.102 0.000 0.789 195 G HN 0.593 nan 8.290 nan 0.000 0.535 196 G N -0.893 107.864 108.800 -0.073 0.000 2.273 196 G HA2 -0.169 3.791 3.960 0.000 0.000 0.162 196 G HA3 -0.169 3.791 3.960 0.000 0.000 0.162 196 G C 0.293 175.149 174.900 -0.074 0.000 1.006 196 G CA -0.285 44.777 45.100 -0.063 0.000 0.704 196 G HN 0.324 nan 8.290 nan 0.000 0.487 197 L N 1.235 122.413 121.223 -0.076 0.000 2.436 197 L HA 0.363 4.703 4.340 0.000 0.000 0.265 197 L C 1.036 177.827 176.870 -0.132 0.000 1.168 197 L CA -0.541 54.254 54.840 -0.076 0.000 0.815 197 L CB 0.574 42.608 42.059 -0.041 0.000 1.109 197 L HN 0.002 nan 8.230 nan 0.000 0.462 198 D N 1.028 121.286 120.400 -0.238 0.000 2.240 198 D HA 0.077 4.717 4.640 0.000 0.000 0.206 198 D C -0.107 175.885 176.300 -0.514 0.000 0.963 198 D CA 1.337 55.048 54.000 -0.480 0.000 0.863 198 D CB 0.386 40.704 40.800 -0.803 0.000 0.973 198 D HN 0.136 nan 8.370 nan 0.000 0.501 199 F N -0.092 119.841 119.950 -0.028 0.000 2.629 199 F HA 0.387 4.914 4.527 0.000 0.000 0.316 199 F C 0.486 176.160 175.800 -0.210 0.000 1.081 199 F CA -1.087 56.849 58.000 -0.105 0.000 0.954 199 F CB 1.587 40.510 39.000 -0.129 0.000 1.337 199 F HN -0.363 nan 8.300 nan 0.000 0.474 200 T N -1.282 113.217 114.554 -0.091 0.000 2.887 200 T HA 0.848 5.198 4.350 0.000 0.000 0.292 200 T C -1.261 173.023 174.700 -0.694 0.000 1.087 200 T CA -1.068 60.916 62.100 -0.193 0.000 1.009 200 T CB 2.760 71.681 68.868 0.088 0.000 1.203 200 T HN 0.819 nan 8.240 nan 0.000 0.518 201 K N -0.174 119.840 120.400 -0.643 0.000 2.556 201 K HA 0.605 4.925 4.320 0.000 0.000 0.274 201 K C -1.892 174.561 176.600 -0.244 0.000 0.966 201 K CA -0.978 54.811 56.287 -0.829 0.000 0.865 201 K CB 1.349 33.302 32.500 -0.911 0.000 1.444 201 K HN 0.348 nan 8.250 nan 0.000 0.433 202 D N 1.563 121.924 120.400 -0.066 0.000 2.382 202 D HA 0.030 4.670 4.640 0.000 0.000 0.245 202 D C -0.573 175.811 176.300 0.140 0.000 1.120 202 D CA 0.293 54.453 54.000 0.268 0.000 0.890 202 D CB 0.800 41.733 40.800 0.221 0.000 1.201 202 D HN 0.458 nan 8.370 nan 0.000 0.433 203 D N 1.223 121.741 120.400 0.196 0.000 2.382 203 D HA -0.076 4.564 4.640 0.000 0.000 0.240 203 D C 1.376 177.675 176.300 -0.002 0.000 1.146 203 D CA -0.193 53.840 54.000 0.056 0.000 0.897 203 D CB 0.945 41.795 40.800 0.085 0.000 1.197 203 D HN 0.428 nan 8.370 nan 0.000 0.432 204 E N 2.777 122.877 120.200 -0.168 0.000 2.219 204 E HA -0.262 4.088 4.350 0.000 0.000 0.198 204 E C 0.691 177.257 176.600 -0.057 0.000 0.998 204 E CA 1.203 57.485 56.400 -0.196 0.000 0.818 204 E CB -0.392 28.988 29.700 -0.534 0.000 0.741 204 E HN 0.506 nan 8.360 nan 0.000 0.477 205 N N 0.817 119.508 118.700 -0.014 0.000 2.336 205 N HA 0.016 4.756 4.740 0.000 0.000 0.189 205 N C 0.101 175.672 175.510 0.102 0.000 1.113 205 N CA -0.092 52.980 53.050 0.038 0.000 0.858 205 N CB 0.174 38.684 38.487 0.038 0.000 0.970 205 N HN -0.055 nan 8.380 nan 0.000 0.471 206 V N 1.825 121.813 119.914 0.123 0.000 2.387 206 V HA 0.177 4.297 4.120 0.000 0.000 0.260 206 V C 0.234 176.397 176.094 0.116 0.000 1.054 206 V CA -0.116 62.282 62.300 0.163 0.000 0.967 206 V CB -0.381 31.548 31.823 0.176 0.000 1.036 206 V HN 0.319 nan 8.190 nan 0.000 0.481 207 N N 2.619 121.370 118.700 0.085 0.000 3.039 207 N HA 0.251 4.991 4.740 0.000 0.000 0.188 207 N C -0.207 175.342 175.510 0.066 0.000 1.310 207 N CA -0.358 52.730 53.050 0.064 0.000 1.111 207 N CB 0.595 39.094 38.487 0.019 0.000 1.311 207 N HN 0.495 nan 8.380 nan 0.000 0.490 208 S N 0.089 115.799 115.700 0.017 0.000 2.619 208 S HA 0.487 4.957 4.470 0.000 0.000 0.280 208 S C -1.768 172.758 174.600 -0.123 0.000 1.150 208 S CA -0.405 57.804 58.200 0.016 0.000 0.978 208 S CB 1.341 64.651 63.200 0.183 0.000 1.041 208 S HN 0.259 nan 8.310 nan 0.000 0.485 209 Q N 3.026 122.631 119.800 -0.325 0.000 2.565 209 Q HA 0.442 4.782 4.340 0.000 0.000 0.294 209 Q C -2.185 173.523 176.000 -0.487 0.000 1.005 209 Q CA -1.649 53.882 55.803 -0.454 0.000 0.771 209 Q CB 1.623 29.909 28.738 -0.754 0.000 1.486 209 Q HN 0.250 nan 8.270 nan 0.000 0.422 210 P HA -0.184 nan 4.420 nan 0.000 0.217 210 P C 0.514 177.739 177.300 -0.125 0.000 1.148 210 P CA 1.385 64.403 63.100 -0.138 0.000 0.828 210 P CB 0.065 31.758 31.700 -0.012 0.000 0.783 211 F N -2.631 117.333 119.950 0.023 0.000 2.558 211 F HA 0.307 4.834 4.527 0.000 0.000 0.298 211 F C 0.890 176.706 175.800 0.027 0.000 1.119 211 F CA 0.010 58.026 58.000 0.026 0.000 1.451 211 F CB -0.532 38.488 39.000 0.034 0.000 1.091 211 F HN -0.182 nan 8.300 nan 0.000 0.563 212 M N 1.244 120.592 119.600 -0.421 0.000 2.355 212 M HA 0.327 4.807 4.480 0.000 0.000 0.232 212 M C -1.561 174.593 176.300 -0.244 0.000 0.988 212 M CA -0.523 54.670 55.300 -0.179 0.000 0.931 212 M CB 1.055 33.661 32.600 0.009 0.000 2.294 212 M HN -0.193 nan 8.290 nan 0.000 0.459 213 R N 3.886 124.297 120.500 -0.150 0.000 2.459 213 R HA 0.277 4.617 4.340 0.000 0.000 0.281 213 R C 1.065 177.293 176.300 -0.121 0.000 1.050 213 R CA -0.208 55.799 56.100 -0.155 0.000 1.055 213 R CB 0.628 30.804 30.300 -0.207 0.000 1.045 213 R HN 0.969 nan 8.270 nan 0.000 0.495 214 W N 4.409 125.605 121.300 -0.173 0.000 2.338 214 W HA -0.187 4.473 4.660 0.000 0.000 0.304 214 W C 1.191 177.540 176.519 -0.283 0.000 1.212 214 W CA 0.798 58.016 57.345 -0.212 0.000 1.264 214 W CB -0.494 28.756 29.460 -0.350 0.000 1.142 214 W HN 0.586 nan 8.180 nan 0.000 0.512 215 R N 1.061 120.764 120.500 -1.329 0.000 2.081 215 R HA -0.160 4.180 4.340 0.000 0.000 0.235 215 R C 1.918 178.014 176.300 -0.340 0.000 1.131 215 R CA 2.201 57.595 56.100 -1.177 0.000 0.960 215 R CB -0.468 28.837 30.300 -1.659 0.000 0.856 215 R HN -0.016 nan 8.270 nan 0.000 0.436 216 D N -0.144 120.090 120.400 -0.276 0.000 2.123 216 D HA -0.207 4.433 4.640 0.000 0.000 0.196 216 D C 1.884 178.301 176.300 0.195 0.000 0.992 216 D CA 1.112 55.086 54.000 -0.043 0.000 0.833 216 D CB -0.195 40.631 40.800 0.043 0.000 0.954 216 D HN 0.287 nan 8.370 nan 0.000 0.455 217 R N -0.318 120.318 120.500 0.228 0.000 2.066 217 R HA -0.125 4.215 4.340 0.000 0.000 0.232 217 R C 2.260 178.820 176.300 0.433 0.000 1.131 217 R CA 0.864 57.158 56.100 0.325 0.000 0.955 217 R CB -0.318 30.112 30.300 0.216 0.000 0.851 217 R HN 0.008 nan 8.270 nan 0.000 0.432 218 F N 1.305 121.385 119.950 0.216 0.000 2.091 218 F HA -0.232 4.295 4.527 0.000 0.000 0.299 218 F C 2.276 178.165 175.800 0.147 0.000 1.103 218 F CA 1.208 59.354 58.000 0.243 0.000 1.228 218 F CB -0.939 38.341 39.000 0.466 0.000 0.984 218 F HN 0.088 nan 8.300 nan 0.000 0.477 219 L N -1.419 120.028 121.223 0.374 0.000 1.994 219 L HA -0.258 4.082 4.340 0.000 0.000 0.208 219 L C 2.383 179.263 176.870 0.017 0.000 1.071 219 L CA 1.540 56.460 54.840 0.133 0.000 0.745 219 L CB -0.518 41.528 42.059 -0.021 0.000 0.892 219 L HN -0.031 nan 8.230 nan 0.000 0.431 220 F N -0.858 119.165 119.950 0.122 0.000 2.186 220 F HA -0.190 4.338 4.527 0.000 0.000 0.299 220 F C 2.610 178.435 175.800 0.040 0.000 1.090 220 F CA 1.164 59.211 58.000 0.078 0.000 1.307 220 F CB -1.096 37.953 39.000 0.082 0.000 1.019 220 F HN 0.198 nan 8.300 nan 0.000 0.489 221 C N -0.341 119.071 119.300 0.187 0.000 2.435 221 C HA -0.074 4.386 4.460 0.000 0.000 0.279 221 C C 3.095 178.048 174.990 -0.062 0.000 1.321 221 C CA 0.925 59.925 59.018 -0.030 0.000 1.752 221 C CB -1.547 26.028 27.740 -0.275 0.000 1.959 221 C HN 0.496 nan 8.230 nan 0.000 0.500 222 A N 0.256 123.056 122.820 -0.034 0.000 1.898 222 A HA -0.213 4.107 4.320 0.000 0.000 0.216 222 A C 2.166 179.745 177.584 -0.008 0.000 1.181 222 A CA 1.782 53.742 52.037 -0.128 0.000 0.620 222 A CB -0.665 18.325 19.000 -0.018 0.000 0.819 222 A HN 0.699 nan 8.150 nan 0.000 0.442 223 E N 0.016 120.284 120.200 0.113 0.000 2.077 223 E HA -0.161 4.189 4.350 0.000 0.000 0.193 223 E C 2.148 178.818 176.600 0.117 0.000 0.989 223 E CA 1.131 57.626 56.400 0.158 0.000 0.800 223 E CB -0.256 29.532 29.700 0.147 0.000 0.746 223 E HN 0.521 nan 8.360 nan 0.000 0.452 224 A N 1.358 124.236 122.820 0.097 0.000 1.877 224 A HA -0.180 4.140 4.320 0.000 0.000 0.216 224 A C 2.244 179.908 177.584 0.133 0.000 1.186 224 A CA 1.754 53.860 52.037 0.115 0.000 0.620 224 A CB -0.833 18.250 19.000 0.138 0.000 0.822 224 A HN 0.414 nan 8.150 nan 0.000 0.443 225 L N -3.099 118.135 121.223 0.019 0.000 2.093 225 L HA -0.073 4.268 4.340 0.000 0.000 0.208 225 L C 2.205 179.079 176.870 0.007 0.000 1.085 225 L CA 1.857 56.686 54.840 -0.019 0.000 0.755 225 L CB -1.198 40.788 42.059 -0.121 0.000 0.904 225 L HN 0.267 nan 8.230 nan 0.000 0.435 226 Y N 0.615 120.961 120.300 0.077 0.000 2.352 226 Y HA -0.087 4.463 4.550 0.000 0.000 0.292 226 Y C 2.734 178.669 175.900 0.058 0.000 1.136 226 Y CA 1.372 59.505 58.100 0.055 0.000 1.227 226 Y CB -0.557 37.921 38.460 0.031 0.000 0.991 226 Y HN 0.345 nan 8.280 nan 0.000 0.545 227 K N 0.044 120.566 120.400 0.204 0.000 2.062 227 K HA -0.077 4.243 4.320 0.000 0.000 0.205 227 K C 2.267 179.008 176.600 0.236 0.000 1.051 227 K CA 0.992 57.353 56.287 0.124 0.000 0.941 227 K CB -0.163 32.284 32.500 -0.089 0.000 0.719 227 K HN 0.191 nan 8.250 nan 0.000 0.440 228 A N 1.125 124.145 122.820 0.333 0.000 1.930 228 A HA -0.205 4.115 4.320 0.000 0.000 0.217 228 A C 2.065 179.741 177.584 0.154 0.000 1.175 228 A CA 1.490 53.697 52.037 0.283 0.000 0.627 228 A CB -0.549 18.561 19.000 0.184 0.000 0.815 228 A HN 0.538 nan 8.150 nan 0.000 0.443 229 Q N -0.538 119.347 119.800 0.143 0.000 2.084 229 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 229 Q C 2.126 178.189 176.000 0.104 0.000 0.978 229 Q CA 1.515 57.386 55.803 0.113 0.000 0.844 229 Q CB -0.315 28.510 28.738 0.146 0.000 0.898 229 Q HN 0.602 nan 8.270 nan 0.000 0.426 230 A N 0.533 123.425 122.820 0.120 0.000 1.968 230 A HA -0.196 4.125 4.320 0.000 0.000 0.217 230 A C 1.845 179.476 177.584 0.078 0.000 1.169 230 A CA 1.450 53.539 52.037 0.087 0.000 0.638 230 A CB -0.503 18.544 19.000 0.078 0.000 0.812 230 A HN 0.598 nan 8.150 nan 0.000 0.446 231 E N -0.268 119.994 120.200 0.104 0.000 2.072 231 E HA -0.151 4.200 4.350 0.000 0.000 0.190 231 E C 2.014 178.655 176.600 0.067 0.000 0.982 231 E CA 1.711 58.170 56.400 0.098 0.000 0.803 231 E CB -0.042 29.752 29.700 0.158 0.000 0.755 231 E HN 0.717 nan 8.360 nan 0.000 0.453 232 T N -3.873 110.717 114.554 0.059 0.000 3.044 232 T HA 0.234 4.584 4.350 0.000 0.000 0.255 232 T C 1.537 176.253 174.700 0.026 0.000 1.073 232 T CA 0.677 62.796 62.100 0.032 0.000 1.125 232 T CB 0.504 69.382 68.868 0.016 0.000 0.908 232 T HN 0.320 nan 8.240 nan 0.000 0.480 233 G N 1.091 109.911 108.800 0.033 0.000 2.141 233 G HA2 -0.182 3.778 3.960 0.000 0.000 0.242 233 G HA3 -0.182 3.778 3.960 0.000 0.000 0.242 233 G C -0.309 174.602 174.900 0.018 0.000 0.982 233 G CA 0.066 45.182 45.100 0.027 0.000 0.662 233 G HN 0.671 nan 8.290 nan 0.000 0.527 234 E N -0.418 119.789 120.200 0.013 0.000 2.238 234 E HA 0.569 4.919 4.350 0.000 0.000 0.267 234 E C 0.346 176.944 176.600 -0.003 0.000 0.887 234 E CA -1.090 55.305 56.400 -0.007 0.000 0.769 234 E CB 1.839 31.520 29.700 -0.031 0.000 1.187 234 E HN 0.289 nan 8.360 nan 0.000 0.416 235 I N 3.148 123.711 120.570 -0.012 0.000 2.710 235 I HA -0.015 4.155 4.170 0.000 0.000 0.286 235 I C 0.370 176.473 176.117 -0.024 0.000 1.181 235 I CA 0.504 61.807 61.300 0.005 0.000 1.430 235 I CB 0.070 38.072 38.000 0.003 0.000 1.367 235 I HN 0.182 nan 8.210 nan 0.000 0.577 236 K N 4.449 124.858 120.400 0.015 0.000 2.340 236 K HA 0.794 5.114 4.320 0.000 0.000 0.244 236 K C -0.281 176.370 176.600 0.085 0.000 0.973 236 K CA -0.728 55.566 56.287 0.011 0.000 0.828 236 K CB 2.251 34.765 32.500 0.023 0.000 1.226 236 K HN 0.789 nan 8.250 nan 0.000 0.437 237 G N 0.213 109.132 108.800 0.199 0.000 2.704 237 G HA2 0.384 4.344 3.960 0.000 0.000 0.293 237 G HA3 0.384 4.344 3.960 0.000 0.000 0.293 237 G C -1.911 173.174 174.900 0.309 0.000 1.421 237 G CA -0.288 44.990 45.100 0.296 0.000 0.870 237 G HN 0.554 nan 8.290 nan 0.000 0.492 238 H N 0.824 119.957 119.070 0.104 0.000 2.840 238 H HA 0.319 4.875 4.556 0.000 0.000 0.340 238 H C -1.077 174.281 175.328 0.050 0.000 1.004 238 H CA -0.573 55.483 56.048 0.012 0.000 1.288 238 H CB 1.271 31.020 29.762 -0.023 0.000 1.607 238 H HN 0.358 nan 8.280 nan 0.000 0.522 239 Y N 5.615 125.592 120.300 -0.538 0.000 2.697 239 Y HA 0.086 4.636 4.550 0.000 0.000 0.349 239 Y C 0.666 176.394 175.900 -0.286 0.000 1.120 239 Y CA -0.528 57.344 58.100 -0.379 0.000 1.468 239 Y CB -0.529 37.697 38.460 -0.390 0.000 1.182 239 Y HN 0.356 nan 8.280 nan 0.000 0.525 240 L N 4.065 125.250 121.223 -0.064 0.000 2.313 240 L HA 0.207 4.547 4.340 0.000 0.000 0.282 240 L C 0.693 177.521 176.870 -0.069 0.000 1.092 240 L CA -0.072 54.608 54.840 -0.267 0.000 0.831 240 L CB 0.461 41.958 42.059 -0.937 0.000 1.159 240 L HN 0.617 nan 8.230 nan 0.000 0.442 241 N N 1.999 120.771 118.700 0.119 0.000 2.420 241 N HA 0.203 4.943 4.740 0.000 0.000 0.262 241 N C 0.537 176.205 175.510 0.263 0.000 1.144 241 N CA -0.110 53.057 53.050 0.194 0.000 0.952 241 N CB 1.094 39.690 38.487 0.181 0.000 1.081 241 N HN 0.779 nan 8.380 nan 0.000 0.480 242 A N 2.779 125.704 122.820 0.175 0.000 2.308 242 A HA 0.092 4.412 4.320 0.000 0.000 0.217 242 A C 0.639 178.254 177.584 0.050 0.000 1.216 242 A CA -0.083 51.999 52.037 0.075 0.000 0.864 242 A CB 0.072 19.085 19.000 0.022 0.000 0.902 242 A HN 0.596 nan 8.150 nan 0.000 0.499 243 T N 1.747 116.393 114.554 0.153 0.000 2.908 243 T HA 0.446 4.796 4.350 0.000 0.000 0.301 243 T C 0.276 174.985 174.700 0.015 0.000 1.019 243 T CA 0.952 63.144 62.100 0.154 0.000 1.152 243 T CB 0.722 69.615 68.868 0.042 0.000 0.966 243 T HN 0.756 nan 8.240 nan 0.000 0.540 244 A N 2.289 125.111 122.820 0.004 0.000 2.529 244 A HA 0.807 5.127 4.320 0.000 0.000 0.296 244 A C 1.291 178.855 177.584 -0.035 0.000 1.205 244 A CA -0.257 51.744 52.037 -0.060 0.000 0.671 244 A CB 0.460 19.376 19.000 -0.141 0.000 1.301 244 A HN 0.759 nan 8.150 nan 0.000 0.450 245 G N -0.885 107.888 108.800 -0.045 0.000 2.464 245 G HA2 0.360 4.320 3.960 0.000 0.000 0.217 245 G HA3 0.360 4.320 3.960 0.000 0.000 0.217 245 G C 0.667 175.550 174.900 -0.028 0.000 1.138 245 G CA 1.780 46.862 45.100 -0.030 0.000 0.793 245 G HN 1.603 nan 8.290 nan 0.000 0.539 246 T N -4.190 110.340 114.554 -0.040 0.000 2.883 246 T HA 0.300 4.650 4.350 0.000 0.000 0.296 246 T C 0.926 175.593 174.700 -0.055 0.000 1.117 246 T CA -0.240 61.837 62.100 -0.039 0.000 1.006 246 T CB 1.397 70.242 68.868 -0.038 0.000 1.191 246 T HN -0.078 nan 8.240 nan 0.000 0.508 247 C N 0.584 119.853 119.300 -0.051 0.000 2.425 247 C HA -0.011 4.449 4.460 0.000 0.000 0.277 247 C C 2.624 177.557 174.990 -0.094 0.000 1.280 247 C CA 0.838 59.813 59.018 -0.073 0.000 1.744 247 C CB -1.370 26.336 27.740 -0.057 0.000 1.989 247 C HN 1.020 nan 8.230 nan 0.000 0.491 248 E N 1.425 121.580 120.200 -0.075 0.000 2.038 248 E HA -0.173 4.177 4.350 0.000 0.000 0.195 248 E C 1.675 178.212 176.600 -0.106 0.000 1.000 248 E CA 1.552 57.906 56.400 -0.077 0.000 0.803 248 E CB -0.328 29.343 29.700 -0.049 0.000 0.750 248 E HN 0.535 nan 8.360 nan 0.000 0.448 249 D N -0.207 120.127 120.400 -0.110 0.000 2.117 249 D HA -0.148 4.492 4.640 0.000 0.000 0.197 249 D C 1.837 177.981 176.300 -0.259 0.000 0.987 249 D CA 0.836 54.739 54.000 -0.162 0.000 0.829 249 D CB -0.221 40.494 40.800 -0.141 0.000 0.961 249 D HN 0.147 nan 8.370 nan 0.000 0.460 250 M N -0.364 119.111 119.600 -0.208 0.000 2.080 250 M HA -0.192 4.288 4.480 0.000 0.000 0.260 250 M C 1.734 177.872 176.300 -0.271 0.000 1.068 250 M CA 1.317 56.481 55.300 -0.226 0.000 1.109 250 M CB 0.024 32.521 32.600 -0.172 0.000 1.342 250 M HN -0.070 nan 8.290 nan 0.000 0.405 251 M N 0.316 119.765 119.600 -0.252 0.000 2.159 251 M HA -0.177 4.303 4.480 0.000 0.000 0.263 251 M C 1.909 178.046 176.300 -0.270 0.000 1.063 251 M CA 1.682 56.796 55.300 -0.310 0.000 1.110 251 M CB -1.122 31.326 32.600 -0.253 0.000 1.374 251 M HN 0.313 nan 8.290 nan 0.000 0.411 252 K N -0.203 120.074 120.400 -0.205 0.000 2.103 252 K HA -0.148 4.172 4.320 0.000 0.000 0.207 252 K C 2.116 178.629 176.600 -0.145 0.000 1.048 252 K CA 1.212 57.433 56.287 -0.110 0.000 0.930 252 K CB -0.121 32.350 32.500 -0.048 0.000 0.716 252 K HN 0.378 nan 8.250 nan 0.000 0.444 253 R N 0.270 120.492 120.500 -0.464 0.000 2.075 253 R HA -0.041 4.299 4.340 0.000 0.000 0.232 253 R C 2.431 178.776 176.300 0.075 0.000 1.126 253 R CA 1.114 56.900 56.100 -0.525 0.000 0.963 253 R CB -0.343 29.488 30.300 -0.782 0.000 0.858 253 R HN 0.156 nan 8.270 nan 0.000 0.435 254 A N 0.969 123.750 122.820 -0.065 0.000 1.902 254 A HA -0.117 4.203 4.320 0.000 0.000 0.217 254 A C 2.387 180.026 177.584 0.091 0.000 1.181 254 A CA 1.425 53.448 52.037 -0.023 0.000 0.623 254 A CB -0.597 18.199 19.000 -0.341 0.000 0.818 254 A HN 0.104 nan 8.150 nan 0.000 0.443 255 V N -1.224 118.686 119.914 -0.006 0.000 2.287 255 V HA -0.239 3.882 4.120 0.000 0.000 0.248 255 V C 2.296 178.586 176.094 0.326 0.000 1.053 255 V CA 2.167 64.571 62.300 0.174 0.000 1.027 255 V CB -0.941 30.946 31.823 0.107 0.000 0.646 255 V HN 0.604 nan 8.190 nan 0.000 0.447 256 F N 1.434 121.527 119.950 0.239 0.000 2.186 256 F HA -0.064 4.463 4.527 0.000 0.000 0.299 256 F C 2.278 178.292 175.800 0.356 0.000 1.090 256 F CA 0.918 59.111 58.000 0.321 0.000 1.307 256 F CB -0.777 38.499 39.000 0.460 0.000 1.019 256 F HN 0.081 nan 8.300 nan 0.000 0.489 257 A N 0.645 123.662 122.820 0.329 0.000 1.908 257 A HA -0.206 4.115 4.320 0.000 0.000 0.218 257 A C 2.481 180.103 177.584 0.063 0.000 1.181 257 A CA 1.540 53.656 52.037 0.132 0.000 0.627 257 A CB -0.774 18.315 19.000 0.148 0.000 0.818 257 A HN 0.304 nan 8.150 nan 0.000 0.445 258 R N -0.000 120.590 120.500 0.151 0.000 2.083 258 R HA -0.179 4.161 4.340 0.000 0.000 0.237 258 R C 2.140 178.489 176.300 0.082 0.000 1.137 258 R CA 2.001 58.184 56.100 0.138 0.000 0.951 258 R CB -0.580 29.859 30.300 0.231 0.000 0.851 258 R HN 0.793 nan 8.270 nan 0.000 0.434 259 E N 0.259 120.507 120.200 0.081 0.000 2.118 259 E HA -0.174 4.176 4.350 0.000 0.000 0.195 259 E C 1.962 178.543 176.600 -0.032 0.000 0.992 259 E CA 1.049 57.481 56.400 0.053 0.000 0.804 259 E CB -0.066 29.721 29.700 0.145 0.000 0.741 259 E HN 0.345 nan 8.360 nan 0.000 0.458 260 L N -0.569 120.568 121.223 -0.143 0.000 2.478 260 L HA 0.093 4.433 4.340 0.000 0.000 0.223 260 L C 1.612 178.531 176.870 0.081 0.000 1.140 260 L CA 0.508 55.291 54.840 -0.094 0.000 0.842 260 L CB -0.058 41.870 42.059 -0.217 0.000 0.953 260 L HN 0.426 nan 8.230 nan 0.000 0.452 261 G N 0.612 109.452 108.800 0.067 0.000 2.153 261 G HA2 -0.269 3.691 3.960 0.000 0.000 0.252 261 G HA3 -0.269 3.691 3.960 0.000 0.000 0.252 261 G C 0.413 175.404 174.900 0.152 0.000 0.994 261 G CA 0.313 45.478 45.100 0.109 0.000 0.698 261 G HN 0.280 nan 8.290 nan 0.000 0.521 262 V N -2.081 117.885 119.914 0.087 0.000 2.881 262 V HA 0.683 4.803 4.120 0.000 0.000 0.303 262 V C -0.035 176.072 176.094 0.022 0.000 1.070 262 V CA -0.816 61.496 62.300 0.019 0.000 1.074 262 V CB 1.226 33.003 31.823 -0.078 0.000 1.012 262 V HN 0.080 nan 8.190 nan 0.000 0.482 263 P HA 0.308 nan 4.420 nan 0.000 0.245 263 P C 0.039 177.319 177.300 -0.033 0.000 1.203 263 P CA 0.580 63.683 63.100 0.005 0.000 0.792 263 P CB 0.512 32.237 31.700 0.042 0.000 0.997 264 I N -0.092 120.459 120.570 -0.031 0.000 2.775 264 I HA 0.331 4.502 4.170 0.000 0.000 0.295 264 I C -1.148 174.919 176.117 -0.083 0.000 1.287 264 I CA -1.284 59.954 61.300 -0.102 0.000 1.029 264 I CB 2.505 40.388 38.000 -0.195 0.000 1.282 264 I HN -0.287 nan 8.210 nan 0.000 0.426 265 V N 4.366 124.219 119.914 -0.102 0.000 3.164 265 V HA 0.751 4.871 4.120 0.000 0.000 0.313 265 V C -0.548 175.510 176.094 -0.060 0.000 1.188 265 V CA -0.760 61.508 62.300 -0.054 0.000 1.058 265 V CB 1.879 33.705 31.823 0.005 0.000 1.110 265 V HN 0.922 nan 8.190 nan 0.000 0.453 266 M N 0.829 120.451 119.600 0.036 0.000 2.618 266 M HA 0.823 5.303 4.480 0.000 0.000 0.281 266 M C -1.355 175.054 176.300 0.182 0.000 1.267 266 M CA -0.480 54.881 55.300 0.101 0.000 0.845 266 M CB 2.334 35.064 32.600 0.218 0.000 1.732 266 M HN 1.036 nan 8.290 nan 0.000 0.461 267 H N -0.720 118.382 119.070 0.052 0.000 3.046 267 H HA 0.456 5.012 4.556 0.000 0.000 0.363 267 H C -2.072 173.306 175.328 0.083 0.000 1.203 267 H CA -0.414 55.660 56.048 0.042 0.000 1.169 267 H CB 2.175 31.939 29.762 0.003 0.000 1.851 267 H HN 0.818 nan 8.280 nan 0.000 0.546 268 D N 3.980 124.086 120.400 -0.490 0.000 2.456 268 D HA 0.004 4.644 4.640 0.000 0.000 0.219 268 D C 0.490 176.481 176.300 -0.515 0.000 1.126 268 D CA -0.117 53.704 54.000 -0.298 0.000 0.890 268 D CB 0.414 41.095 40.800 -0.199 0.000 1.025 268 D HN 0.612 nan 8.370 nan 0.000 0.511 269 Y N 2.063 122.110 120.300 -0.422 0.000 2.333 269 Y HA -0.077 4.473 4.550 0.000 0.000 0.290 269 Y C 1.384 176.996 175.900 -0.480 0.000 1.144 269 Y CA 0.867 58.734 58.100 -0.387 0.000 1.228 269 Y CB -0.316 37.983 38.460 -0.269 0.000 0.985 269 Y HN 0.275 nan 8.280 nan 0.000 0.542 270 L N 0.241 120.972 121.223 -0.819 0.000 2.168 270 L HA -0.036 4.304 4.340 0.000 0.000 0.203 270 L C 2.611 179.254 176.870 -0.378 0.000 1.078 270 L CA 1.393 55.800 54.840 -0.721 0.000 0.780 270 L CB -0.773 40.874 42.059 -0.687 0.000 0.939 270 L HN 0.375 nan 8.230 nan 0.000 0.451 271 T N -3.096 111.285 114.554 -0.289 0.000 2.942 271 T HA -0.021 4.329 4.350 0.000 0.000 0.265 271 T C 1.881 176.485 174.700 -0.161 0.000 1.062 271 T CA 0.880 62.870 62.100 -0.182 0.000 1.139 271 T CB -0.585 68.204 68.868 -0.132 0.000 0.883 271 T HN 0.328 nan 8.240 nan 0.000 0.468 272 G N 1.402 110.069 108.800 -0.222 0.000 2.395 272 G HA2 0.432 4.392 3.960 0.000 0.000 0.214 272 G HA3 0.432 4.392 3.960 0.000 0.000 0.214 272 G C 0.835 175.709 174.900 -0.044 0.000 1.177 272 G CA 0.229 45.262 45.100 -0.112 0.000 0.794 272 G HN 1.215 nan 8.290 nan 0.000 0.532 273 G N -1.993 106.727 108.800 -0.134 0.000 2.539 273 G HA2 0.003 3.963 3.960 0.000 0.000 0.686 273 G HA3 0.003 3.963 3.960 0.000 0.000 0.686 273 G C 0.085 174.931 174.900 -0.091 0.000 1.258 273 G CA -0.192 44.831 45.100 -0.127 0.000 0.846 273 G HN 0.060 nan 8.290 nan 0.000 0.647 274 F N 0.677 120.671 119.950 0.074 0.000 2.146 274 F HA 0.001 4.528 4.527 0.000 0.000 0.298 274 F C 3.139 178.960 175.800 0.034 0.000 1.096 274 F CA 2.325 60.367 58.000 0.069 0.000 1.275 274 F CB -0.628 38.378 39.000 0.010 0.000 1.008 274 F HN 0.560 nan 8.300 nan 0.000 0.480 275 T N -0.159 114.504 114.554 0.182 0.000 2.684 275 T HA -0.227 4.123 4.350 0.000 0.000 0.267 275 T C 2.275 176.993 174.700 0.029 0.000 1.036 275 T CA 1.553 63.706 62.100 0.088 0.000 1.148 275 T CB -0.692 68.215 68.868 0.064 0.000 0.863 275 T HN 0.289 nan 8.240 nan 0.000 0.436 276 A N 1.735 124.574 122.820 0.032 0.000 1.929 276 A HA -0.075 4.245 4.320 0.000 0.000 0.216 276 A C 2.270 179.797 177.584 -0.096 0.000 1.176 276 A CA 1.346 53.366 52.037 -0.028 0.000 0.628 276 A CB -0.708 18.301 19.000 0.015 0.000 0.816 276 A HN 0.523 nan 8.150 nan 0.000 0.444 277 N N -0.184 118.536 118.700 0.034 0.000 2.120 277 N HA -0.150 4.590 4.740 0.000 0.000 0.188 277 N C 1.586 177.060 175.510 -0.059 0.000 1.024 277 N CA 2.086 55.150 53.050 0.023 0.000 0.852 277 N CB -0.164 38.458 38.487 0.224 0.000 1.003 277 N HN 0.426 nan 8.380 nan 0.000 0.424 278 T N -0.177 114.351 114.554 -0.045 0.000 2.746 278 T HA -0.079 4.271 4.350 0.000 0.000 0.267 278 T C 1.865 176.294 174.700 -0.450 0.000 1.039 278 T CA 1.610 63.584 62.100 -0.211 0.000 1.142 278 T CB -0.652 68.137 68.868 -0.132 0.000 0.866 278 T HN 0.295 nan 8.240 nan 0.000 0.444 279 T N 2.221 116.616 114.554 -0.265 0.000 2.720 279 T HA -0.061 4.289 4.350 0.000 0.000 0.268 279 T C 1.862 176.482 174.700 -0.134 0.000 1.037 279 T CA 0.940 62.922 62.100 -0.196 0.000 1.144 279 T CB -0.441 68.359 68.868 -0.112 0.000 0.864 279 T HN 0.113 nan 8.240 nan 0.000 0.444 280 L N 0.893 122.014 121.223 -0.169 0.000 2.093 280 L HA 0.067 4.407 4.340 0.000 0.000 0.208 280 L C 2.614 179.478 176.870 -0.010 0.000 1.085 280 L CA 1.681 56.452 54.840 -0.116 0.000 0.755 280 L CB -0.984 40.899 42.059 -0.293 0.000 0.904 280 L HN 0.183 nan 8.230 nan 0.000 0.435 281 S N -1.381 114.281 115.700 -0.063 0.000 2.370 281 S HA -0.248 4.222 4.470 0.000 0.000 0.226 281 S C 2.083 176.764 174.600 0.136 0.000 1.033 281 S CA 1.450 59.655 58.200 0.008 0.000 1.011 281 S CB -0.398 62.793 63.200 -0.015 0.000 0.852 281 S HN 0.666 nan 8.310 nan 0.000 0.457 282 H N -0.665 118.414 119.070 0.015 0.000 2.326 282 H HA -0.009 4.547 4.556 0.000 0.000 0.301 282 H C 1.805 177.146 175.328 0.021 0.000 1.081 282 H CA 1.598 57.649 56.048 0.005 0.000 1.334 282 H CB -1.200 28.571 29.762 0.014 0.000 1.385 282 H HN 0.633 nan 8.280 nan 0.000 0.504 283 Y N 0.746 121.100 120.300 0.089 0.000 2.165 283 Y HA -0.274 4.276 4.550 0.000 0.000 0.286 283 Y C 2.504 178.431 175.900 0.044 0.000 1.155 283 Y CA 1.441 59.568 58.100 0.046 0.000 1.164 283 Y CB -0.614 37.852 38.460 0.010 0.000 0.978 283 Y HN 0.156 nan 8.280 nan 0.000 0.513 284 C N 0.055 119.430 119.300 0.126 0.000 2.425 284 C HA -0.125 4.335 4.460 0.000 0.000 0.277 284 C C 2.735 177.746 174.990 0.035 0.000 1.280 284 C CA 1.351 60.418 59.018 0.082 0.000 1.744 284 C CB -1.203 26.610 27.740 0.122 0.000 1.989 284 C HN 0.563 nan 8.230 nan 0.000 0.491 285 R N 1.884 122.363 120.500 -0.035 0.000 2.066 285 R HA -0.084 4.256 4.340 0.000 0.000 0.232 285 R C 1.517 177.763 176.300 -0.090 0.000 1.131 285 R CA 1.960 57.981 56.100 -0.131 0.000 0.955 285 R CB -0.968 29.253 30.300 -0.130 0.000 0.851 285 R HN 0.399 nan 8.270 nan 0.000 0.432 286 D N -0.131 120.195 120.400 -0.123 0.000 2.263 286 D HA -0.078 4.562 4.640 0.000 0.000 0.208 286 D C 0.396 176.572 176.300 -0.206 0.000 0.971 286 D CA 0.981 54.885 54.000 -0.160 0.000 0.867 286 D CB -0.031 40.657 40.800 -0.186 0.000 0.929 286 D HN 0.352 nan 8.370 nan 0.000 0.492 287 N N -0.762 117.780 118.700 -0.263 0.000 2.238 287 N HA 0.139 4.879 4.740 0.000 0.000 0.235 287 N C 0.709 176.179 175.510 -0.067 0.000 1.209 287 N CA 0.290 53.206 53.050 -0.225 0.000 0.879 287 N CB 1.751 39.967 38.487 -0.452 0.000 1.136 287 N HN 0.051 nan 8.380 nan 0.000 0.517 288 G N 1.601 110.424 108.800 0.039 0.000 2.249 288 G HA2 -0.274 3.686 3.960 0.000 0.000 0.273 288 G HA3 -0.274 3.686 3.960 0.000 0.000 0.273 288 G C -0.155 174.717 174.900 -0.048 0.000 1.036 288 G CA 0.225 45.368 45.100 0.072 0.000 0.824 288 G HN 0.263 nan 8.290 nan 0.000 0.504 289 L N -0.217 121.040 121.223 0.057 0.000 2.295 289 L HA 0.565 4.905 4.340 0.000 0.000 0.285 289 L C 1.023 177.900 176.870 0.011 0.000 1.035 289 L CA -1.073 53.770 54.840 0.004 0.000 0.806 289 L CB 1.412 43.512 42.059 0.068 0.000 1.214 289 L HN 0.051 nan 8.230 nan 0.000 0.426 290 L N 3.826 124.980 121.223 -0.116 0.000 2.397 290 L HA 0.202 4.542 4.340 0.000 0.000 0.271 290 L C -0.375 176.401 176.870 -0.157 0.000 1.148 290 L CA -0.276 54.488 54.840 -0.127 0.000 0.825 290 L CB 0.947 42.870 42.059 -0.225 0.000 1.117 290 L HN 0.381 nan 8.230 nan 0.000 0.456 291 L N 3.715 124.841 121.223 -0.160 0.000 2.295 291 L HA 0.320 4.660 4.340 0.000 0.000 0.281 291 L C -0.432 176.242 176.870 -0.327 0.000 1.018 291 L CA -0.235 54.497 54.840 -0.181 0.000 0.841 291 L CB 0.789 42.800 42.059 -0.079 0.000 1.218 291 L HN 0.455 nan 8.230 nan 0.000 0.424 292 H N 5.447 124.200 119.070 -0.527 0.000 2.620 292 H HA 0.510 5.066 4.556 0.000 0.000 0.313 292 H C -0.803 174.411 175.328 -0.191 0.000 1.075 292 H CA -0.482 55.221 56.048 -0.574 0.000 1.397 292 H CB 0.654 29.773 29.762 -1.072 0.000 1.446 292 H HN 0.503 nan 8.280 nan 0.000 0.493 293 I N 5.891 126.100 120.570 -0.602 0.000 2.354 293 I HA 0.129 4.299 4.170 0.000 0.000 0.292 293 I C 0.212 176.192 176.117 -0.228 0.000 0.989 293 I CA -0.374 60.744 61.300 -0.303 0.000 1.188 293 I CB 0.992 38.819 38.000 -0.289 0.000 1.342 293 I HN 0.742 nan 8.210 nan 0.000 0.457 294 H N 7.386 126.419 119.070 -0.062 0.000 2.479 294 H HA 0.381 4.937 4.556 0.000 0.000 0.335 294 H C 0.036 175.380 175.328 0.027 0.000 1.142 294 H CA -0.615 55.395 56.048 -0.063 0.000 1.234 294 H CB 1.677 31.374 29.762 -0.107 0.000 1.503 294 H HN 0.602 nan 8.280 nan 0.000 0.510 295 R N 2.866 122.949 120.500 -0.694 0.000 2.831 295 R HA 0.444 4.784 4.340 0.000 0.000 0.337 295 R C -0.192 175.935 176.300 -0.289 0.000 1.200 295 R CA -0.582 55.342 56.100 -0.294 0.000 1.088 295 R CB 0.015 30.202 30.300 -0.188 0.000 1.397 295 R HN 0.359 nan 8.270 nan 0.000 0.581 296 A N 1.555 124.244 122.820 -0.219 0.000 2.567 296 A HA 0.098 4.418 4.320 0.000 0.000 0.240 296 A C 0.954 178.500 177.584 -0.062 0.000 1.053 296 A CA 0.713 52.758 52.037 0.012 0.000 0.755 296 A CB -0.077 19.004 19.000 0.134 0.000 0.978 296 A HN 0.896 nan 8.150 nan 0.000 0.507 297 M N 0.497 120.066 119.600 -0.052 0.000 3.007 297 M HA -0.290 4.191 4.480 0.000 0.000 0.210 297 M C 0.987 177.214 176.300 -0.122 0.000 0.585 297 M CA 1.839 57.077 55.300 -0.103 0.000 0.804 297 M CB -2.072 30.459 32.600 -0.116 0.000 2.870 297 M HN 1.262 nan 8.290 nan 0.000 0.297 298 H N -0.683 118.291 119.070 -0.161 0.000 2.352 298 H HA 0.237 4.793 4.556 0.000 0.000 0.299 298 H C 1.744 177.009 175.328 -0.106 0.000 1.097 298 H CA 2.011 57.987 56.048 -0.120 0.000 1.311 298 H CB -0.558 29.147 29.762 -0.095 0.000 1.377 298 H HN 0.486 nan 8.280 nan 0.000 0.504 299 A N 1.121 123.328 122.820 -1.021 0.000 2.121 299 A HA -0.027 4.293 4.320 0.000 0.000 0.218 299 A C 2.446 179.856 177.584 -0.290 0.000 1.154 299 A CA 1.173 52.825 52.037 -0.642 0.000 0.679 299 A CB -0.745 17.877 19.000 -0.630 0.000 0.795 299 A HN 0.379 nan 8.150 nan 0.000 0.458 300 V N -0.493 119.284 119.914 -0.229 0.000 2.626 300 V HA -0.191 3.929 4.120 0.000 0.000 0.252 300 V C 2.169 178.206 176.094 -0.095 0.000 1.067 300 V CA 1.916 64.136 62.300 -0.133 0.000 1.081 300 V CB -0.421 31.336 31.823 -0.111 0.000 0.686 300 V HN 0.611 nan 8.190 nan 0.000 0.468 301 I N 0.512 121.020 120.570 -0.104 0.000 2.810 301 I HA -0.008 4.162 4.170 0.000 0.000 0.262 301 I C 1.730 177.818 176.117 -0.049 0.000 1.131 301 I CA 1.003 62.260 61.300 -0.072 0.000 1.453 301 I CB -0.063 37.888 38.000 -0.081 0.000 1.161 301 I HN 0.429 nan 8.210 nan 0.000 0.444 302 D N -0.145 120.221 120.400 -0.056 0.000 2.363 302 D HA -0.048 4.592 4.640 0.000 0.000 0.214 302 D C 1.806 178.071 176.300 -0.058 0.000 1.093 302 D CA 0.017 53.991 54.000 -0.044 0.000 0.837 302 D CB 0.007 40.808 40.800 0.002 0.000 0.948 302 D HN -0.023 nan 8.370 nan 0.000 0.507 303 R N 0.301 120.761 120.500 -0.066 0.000 2.062 303 R HA 0.012 4.353 4.340 0.000 0.000 0.229 303 R C 0.496 176.802 176.300 0.010 0.000 1.128 303 R CA 1.138 57.210 56.100 -0.048 0.000 0.960 303 R CB -0.155 30.100 30.300 -0.075 0.000 0.855 303 R HN 0.059 nan 8.270 nan 0.000 0.432 304 Q N 0.692 120.512 119.800 0.033 0.000 2.288 304 Q HA 0.035 4.375 4.340 0.000 0.000 0.254 304 Q C 0.249 176.307 176.000 0.096 0.000 0.932 304 Q CA 0.051 55.893 55.803 0.065 0.000 0.902 304 Q CB 1.554 30.336 28.738 0.073 0.000 1.203 304 Q HN 0.121 nan 8.270 nan 0.000 0.415 305 K N 2.563 123.023 120.400 0.100 0.000 2.211 305 K HA -0.148 4.172 4.320 0.000 0.000 0.203 305 K C 1.329 177.997 176.600 0.114 0.000 1.050 305 K CA 1.552 57.909 56.287 0.117 0.000 0.945 305 K CB 0.276 32.838 32.500 0.103 0.000 0.732 305 K HN 0.612 nan 8.250 nan 0.000 0.451 306 N N -0.960 117.809 118.700 0.115 0.000 2.395 306 N HA -0.117 4.623 4.740 0.000 0.000 0.175 306 N C -0.104 175.519 175.510 0.188 0.000 1.029 306 N CA 0.806 53.931 53.050 0.125 0.000 0.897 306 N CB -0.019 38.533 38.487 0.108 0.000 0.991 306 N HN 0.272 nan 8.380 nan 0.000 0.441 307 H N -1.308 117.821 119.070 0.099 0.000 2.894 307 H HA 0.576 5.132 4.556 0.000 0.000 0.367 307 H C 0.174 175.597 175.328 0.157 0.000 1.144 307 H CA 0.380 56.517 56.048 0.149 0.000 1.180 307 H CB 1.713 31.550 29.762 0.124 0.000 1.758 307 H HN 0.359 nan 8.280 nan 0.000 0.541 308 G N 2.216 110.968 108.800 -0.080 0.000 2.301 308 G HA2 -0.031 3.929 3.960 0.000 0.000 0.194 308 G HA3 -0.031 3.929 3.960 0.000 0.000 0.194 308 G C -1.426 173.480 174.900 0.011 0.000 1.266 308 G CA -0.343 44.744 45.100 -0.020 0.000 1.210 308 G HN 0.658 nan 8.290 nan 0.000 0.524 309 M N 0.784 120.359 119.600 -0.042 0.000 2.324 309 M HA 0.366 4.846 4.480 0.000 0.000 0.288 309 M C -0.359 175.948 176.300 0.012 0.000 1.097 309 M CA -0.793 54.481 55.300 -0.043 0.000 0.928 309 M CB 2.355 34.840 32.600 -0.191 0.000 1.648 309 M HN 0.773 nan 8.290 nan 0.000 0.460 310 H N 2.021 121.092 119.070 0.002 0.000 2.790 310 H HA 0.060 4.616 4.556 0.000 0.000 0.358 310 H C 0.155 175.525 175.328 0.070 0.000 1.103 310 H CA 0.771 56.858 56.048 0.064 0.000 1.426 310 H CB 0.850 30.652 29.762 0.067 0.000 1.424 310 H HN 0.775 nan 8.280 nan 0.000 0.599 311 F N 4.947 124.600 119.950 -0.495 0.000 2.202 311 F HA -0.202 4.325 4.527 0.000 0.000 0.301 311 F C 2.587 178.319 175.800 -0.114 0.000 1.082 311 F CA 1.687 59.517 58.000 -0.284 0.000 1.313 311 F CB -0.143 38.565 39.000 -0.485 0.000 1.024 311 F HN 0.688 nan 8.300 nan 0.000 0.495 312 R N -0.473 120.106 120.500 0.131 0.000 2.152 312 R HA -0.109 4.231 4.340 0.000 0.000 0.232 312 R C 1.735 178.001 176.300 -0.056 0.000 1.117 312 R CA 1.822 57.933 56.100 0.018 0.000 0.981 312 R CB -1.322 29.157 30.300 0.299 0.000 0.870 312 R HN 0.295 nan 8.270 nan 0.000 0.451 313 V N 1.683 121.595 119.914 -0.004 0.000 2.407 313 V HA -0.123 3.997 4.120 0.000 0.000 0.245 313 V C 2.392 178.514 176.094 0.047 0.000 1.041 313 V CA 1.321 63.633 62.300 0.020 0.000 1.040 313 V CB -0.302 31.519 31.823 -0.003 0.000 0.671 313 V HN 0.281 nan 8.190 nan 0.000 0.455 314 L N 0.065 121.259 121.223 -0.047 0.000 2.141 314 L HA -0.084 4.257 4.340 0.000 0.000 0.209 314 L C 2.657 179.474 176.870 -0.090 0.000 1.094 314 L CA 1.327 56.227 54.840 0.100 0.000 0.763 314 L CB -0.734 41.386 42.059 0.101 0.000 0.908 314 L HN 0.360 nan 8.230 nan 0.000 0.437 315 A N 0.179 122.648 122.820 -0.585 0.000 1.897 315 A HA -0.157 4.163 4.320 0.000 0.000 0.215 315 A C 2.345 179.811 177.584 -0.198 0.000 1.181 315 A CA 1.233 52.941 52.037 -0.548 0.000 0.620 315 A CB -0.223 18.319 19.000 -0.763 0.000 0.821 315 A HN 0.247 nan 8.150 nan 0.000 0.443 316 K N -0.218 120.146 120.400 -0.059 0.000 2.057 316 K HA -0.062 4.258 4.320 0.000 0.000 0.207 316 K C 2.298 178.910 176.600 0.020 0.000 1.049 316 K CA 1.074 57.435 56.287 0.123 0.000 0.931 316 K CB -0.308 32.307 32.500 0.193 0.000 0.714 316 K HN 0.431 nan 8.250 nan 0.000 0.440 317 A N 1.846 124.649 122.820 -0.029 0.000 1.902 317 A HA -0.159 4.161 4.320 0.000 0.000 0.217 317 A C 2.037 179.549 177.584 -0.121 0.000 1.181 317 A CA 1.082 52.999 52.037 -0.199 0.000 0.623 317 A CB -0.552 18.287 19.000 -0.268 0.000 0.818 317 A HN 0.251 nan 8.150 nan 0.000 0.443 318 L N -0.324 120.888 121.223 -0.019 0.000 2.093 318 L HA -0.112 4.228 4.340 0.000 0.000 0.208 318 L C 2.439 179.185 176.870 -0.207 0.000 1.085 318 L CA 2.296 57.031 54.840 -0.175 0.000 0.755 318 L CB -0.864 40.822 42.059 -0.622 0.000 0.904 318 L HN 0.549 nan 8.230 nan 0.000 0.435 319 R N -0.397 119.966 120.500 -0.228 0.000 2.096 319 R HA -0.164 4.176 4.340 0.000 0.000 0.235 319 R C 2.385 178.551 176.300 -0.223 0.000 1.127 319 R CA 1.347 57.272 56.100 -0.292 0.000 0.968 319 R CB -0.086 29.901 30.300 -0.522 0.000 0.861 319 R HN 0.408 nan 8.270 nan 0.000 0.440 320 L N -0.657 120.434 121.223 -0.221 0.000 2.007 320 L HA -0.137 4.203 4.340 0.000 0.000 0.205 320 L C 2.626 179.430 176.870 -0.111 0.000 1.073 320 L CA 1.486 56.110 54.840 -0.361 0.000 0.744 320 L CB -0.696 40.801 42.059 -0.937 0.000 0.898 320 L HN 0.252 nan 8.230 nan 0.000 0.435 321 S N -0.787 114.876 115.700 -0.061 0.000 2.365 321 S HA -0.043 4.427 4.470 0.000 0.000 0.225 321 S C 0.846 175.488 174.600 0.071 0.000 1.039 321 S CA 1.245 59.510 58.200 0.107 0.000 1.033 321 S CB -0.344 62.977 63.200 0.202 0.000 0.887 321 S HN 0.646 nan 8.310 nan 0.000 0.447 322 G N -1.694 107.098 108.800 -0.014 0.000 2.957 322 G HA2 0.435 4.395 3.960 0.000 0.000 0.636 322 G HA3 0.435 4.395 3.960 0.000 0.000 0.636 322 G C -0.344 174.504 174.900 -0.087 0.000 1.401 322 G CA -0.429 44.648 45.100 -0.039 0.000 0.941 322 G HN 1.100 nan 8.290 nan 0.000 0.610 323 G N 0.499 109.227 108.800 -0.119 0.000 2.691 323 G HA2 0.591 4.551 3.960 0.000 0.000 0.298 323 G HA3 0.591 4.551 3.960 0.000 0.000 0.298 323 G C -0.159 174.665 174.900 -0.126 0.000 1.471 323 G CA 0.191 45.205 45.100 -0.144 0.000 0.912 323 G HN 0.367 nan 8.290 nan 0.000 0.553 324 D N -0.280 120.047 120.400 -0.121 0.000 2.271 324 D HA 0.092 4.732 4.640 0.000 0.000 0.206 324 D C 0.424 176.771 176.300 0.078 0.000 0.967 324 D CA 1.077 55.044 54.000 -0.055 0.000 0.867 324 D CB 0.358 41.108 40.800 -0.084 0.000 0.960 324 D HN 0.581 nan 8.370 nan 0.000 0.509 325 H N -0.924 118.022 119.070 -0.207 0.000 2.865 325 H HA 0.620 5.176 4.556 0.000 0.000 0.372 325 H C -0.832 174.303 175.328 -0.320 0.000 1.173 325 H CA -0.858 55.052 56.048 -0.230 0.000 1.147 325 H CB 3.124 32.749 29.762 -0.229 0.000 1.805 325 H HN -0.160 nan 8.280 nan 0.000 0.553 326 I N 1.509 122.005 120.570 -0.122 0.000 2.644 326 I HA 0.129 4.299 4.170 0.000 0.000 0.291 326 I C -0.682 175.406 176.117 -0.048 0.000 1.180 326 I CA -0.545 60.677 61.300 -0.130 0.000 1.040 326 I CB 1.691 39.629 38.000 -0.104 0.000 1.255 326 I HN 0.675 nan 8.210 nan 0.000 0.422 327 H N 5.220 124.205 119.070 -0.142 0.000 2.964 327 H HA 0.086 4.642 4.556 0.000 0.000 0.328 327 H C 0.586 175.839 175.328 -0.125 0.000 1.030 327 H CA 0.909 56.889 56.048 -0.115 0.000 1.445 327 H CB 1.038 30.698 29.762 -0.170 0.000 1.449 327 H HN 0.668 nan 8.280 nan 0.000 0.581 328 S N 1.887 117.586 115.700 -0.001 0.000 2.666 328 S HA 0.319 4.789 4.470 0.000 0.000 0.239 328 S C 0.889 175.587 174.600 0.163 0.000 1.031 328 S CA 0.061 58.355 58.200 0.157 0.000 1.015 328 S CB 1.071 64.501 63.200 0.383 0.000 0.981 328 S HN 1.055 nan 8.310 nan 0.000 0.547 329 G N 1.236 110.052 108.800 0.027 0.000 2.663 329 G HA2 -0.047 3.913 3.960 0.000 0.000 0.686 329 G HA3 -0.047 3.913 3.960 0.000 0.000 0.686 329 G C 0.225 175.200 174.900 0.126 0.000 1.288 329 G CA 0.098 45.236 45.100 0.063 0.000 0.836 329 G HN 0.964 nan 8.290 nan 0.000 0.584 330 T N -3.059 111.546 114.554 0.084 0.000 2.959 330 T HA 0.481 4.831 4.350 0.000 0.000 0.254 330 T C 1.806 176.570 174.700 0.107 0.000 1.003 330 T CA 1.314 63.471 62.100 0.095 0.000 0.950 330 T CB 0.521 69.335 68.868 -0.090 0.000 1.090 330 T HN 2.270 nan 8.240 nan 0.000 0.503 331 V N 0.869 120.823 119.914 0.068 0.000 0.550 331 V HA -0.342 3.778 4.120 0.000 0.000 0.092 331 V C 2.095 178.203 176.094 0.023 0.000 2.065 331 V CA 2.128 64.447 62.300 0.031 0.000 3.496 331 V CB -1.885 29.921 31.823 -0.029 0.000 0.788 331 V HN 0.719 nan 8.190 nan 0.000 0.820 332 V N -0.657 119.250 119.914 -0.012 0.000 3.623 332 V HA 0.595 4.715 4.120 0.000 0.000 0.271 332 V C 1.272 177.310 176.094 -0.092 0.000 1.248 332 V CA 1.491 63.782 62.300 -0.015 0.000 1.156 332 V CB -0.352 31.471 31.823 -0.000 0.000 0.870 332 V HN 0.951 nan 8.190 nan 0.000 0.453 333 G N 1.387 110.076 108.800 -0.185 0.000 2.531 333 G HA2 0.252 4.212 3.960 0.000 0.000 0.253 333 G HA3 0.252 4.212 3.960 0.000 0.000 0.253 333 G C 0.767 175.405 174.900 -0.437 0.000 1.439 333 G CA 0.020 44.922 45.100 -0.329 0.000 1.056 333 G HN 0.515 nan 8.290 nan 0.000 0.555 334 K N -1.242 118.647 120.400 -0.852 0.000 2.365 334 K HA 0.130 4.450 4.320 0.000 0.000 0.199 334 K C 0.371 176.801 176.600 -0.283 0.000 1.045 334 K CA 0.529 56.318 56.287 -0.829 0.000 0.962 334 K CB -0.257 31.698 32.500 -0.909 0.000 0.759 334 K HN 0.223 nan 8.250 nan 0.000 0.469 335 L N 1.603 122.709 121.223 -0.195 0.000 2.330 335 L HA 0.325 4.665 4.340 0.000 0.000 0.271 335 L C -0.061 176.787 176.870 -0.037 0.000 1.013 335 L CA -1.180 53.599 54.840 -0.101 0.000 0.816 335 L CB 1.746 43.759 42.059 -0.077 0.000 1.287 335 L HN 0.089 nan 8.230 nan 0.000 0.435 336 E N 0.816 121.007 120.200 -0.016 0.000 2.452 336 E HA 0.360 4.711 4.350 0.000 0.000 0.261 336 E C -0.239 176.398 176.600 0.060 0.000 0.987 336 E CA 0.205 56.623 56.400 0.030 0.000 0.926 336 E CB 0.638 30.352 29.700 0.023 0.000 0.934 336 E HN 0.761 nan 8.360 nan 0.000 0.452 337 G N 4.355 113.208 108.800 0.087 0.000 2.374 337 G HA2 0.008 3.968 3.960 0.000 0.000 0.298 337 G HA3 0.008 3.968 3.960 0.000 0.000 0.298 337 G C -1.119 173.840 174.900 0.099 0.000 2.674 337 G CA -0.744 44.430 45.100 0.123 0.000 0.775 337 G HN 0.402 nan 8.290 nan 0.000 0.437 338 E N 1.489 121.756 120.200 0.113 0.000 2.384 338 E HA 0.086 4.436 4.350 0.000 0.000 0.266 338 E C 1.408 178.018 176.600 0.015 0.000 1.012 338 E CA -0.414 56.029 56.400 0.072 0.000 0.901 338 E CB 1.937 31.692 29.700 0.093 0.000 0.967 338 E HN 0.674 nan 8.360 nan 0.000 0.435 339 R N 2.597 123.084 120.500 -0.023 0.000 2.083 339 R HA -0.195 4.146 4.340 0.000 0.000 0.237 339 R C 0.891 177.123 176.300 -0.113 0.000 1.137 339 R CA 1.901 57.947 56.100 -0.090 0.000 0.951 339 R CB 0.117 30.368 30.300 -0.082 0.000 0.851 339 R HN 0.390 nan 8.270 nan 0.000 0.434 340 D N 0.160 120.521 120.400 -0.064 0.000 2.117 340 D HA -0.108 4.532 4.640 0.000 0.000 0.198 340 D C 1.868 178.124 176.300 -0.073 0.000 0.982 340 D CA 1.127 55.087 54.000 -0.066 0.000 0.828 340 D CB -0.043 40.736 40.800 -0.034 0.000 0.967 340 D HN 0.291 nan 8.370 nan 0.000 0.464 341 I N 0.410 120.966 120.570 -0.024 0.000 2.252 341 I HA -0.242 3.928 4.170 0.000 0.000 0.245 341 I C 2.132 178.140 176.117 -0.182 0.000 1.102 341 I CA 1.023 62.345 61.300 0.036 0.000 1.385 341 I CB -0.199 37.930 38.000 0.215 0.000 1.064 341 I HN 0.013 nan 8.210 nan 0.000 0.414 342 T N 1.272 115.613 114.554 -0.355 0.000 2.708 342 T HA -0.126 4.224 4.350 0.000 0.000 0.266 342 T C 1.937 176.158 174.700 -0.798 0.000 1.037 342 T CA 1.193 62.736 62.100 -0.927 0.000 1.146 342 T CB -0.321 68.308 68.868 -0.397 0.000 0.865 342 T HN 0.235 nan 8.240 nan 0.000 0.435 343 L N 0.673 121.649 121.223 -0.412 0.000 2.127 343 L HA -0.048 4.292 4.340 0.000 0.000 0.211 343 L C 2.910 179.664 176.870 -0.193 0.000 1.089 343 L CA 1.249 55.925 54.840 -0.274 0.000 0.757 343 L CB -0.924 41.020 42.059 -0.190 0.000 0.899 343 L HN 0.362 nan 8.230 nan 0.000 0.434 344 G N 0.896 109.586 108.800 -0.182 0.000 2.414 344 G HA2 -0.296 3.664 3.960 0.000 0.000 0.215 344 G HA3 -0.296 3.664 3.960 0.000 0.000 0.215 344 G C 1.301 176.229 174.900 0.046 0.000 1.188 344 G CA 0.857 45.928 45.100 -0.048 0.000 0.783 344 G HN 0.467 nan 8.290 nan 0.000 0.537 345 F N 0.767 120.797 119.950 0.133 0.000 2.407 345 F HA 0.200 4.728 4.527 0.000 0.000 0.299 345 F C 2.144 178.025 175.800 0.135 0.000 1.097 345 F CA 0.038 58.128 58.000 0.151 0.000 1.422 345 F CB -0.871 38.256 39.000 0.211 0.000 1.067 345 F HN -0.007 nan 8.300 nan 0.000 0.539 346 V N 1.175 121.150 119.914 0.102 0.000 2.427 346 V HA -0.231 3.889 4.120 0.000 0.000 0.248 346 V C 2.025 178.191 176.094 0.121 0.000 1.051 346 V CA 2.222 64.621 62.300 0.165 0.000 1.048 346 V CB -0.663 31.215 31.823 0.092 0.000 0.666 346 V HN 0.239 nan 8.190 nan 0.000 0.456 347 D N -0.025 120.426 120.400 0.085 0.000 2.144 347 D HA -0.067 4.573 4.640 0.000 0.000 0.200 347 D C 2.092 178.469 176.300 0.129 0.000 0.978 347 D CA 0.993 55.044 54.000 0.086 0.000 0.833 347 D CB -0.173 40.666 40.800 0.065 0.000 0.961 347 D HN 0.323 nan 8.370 nan 0.000 0.470 348 L N 0.061 121.395 121.223 0.186 0.000 2.201 348 L HA -0.086 4.254 4.340 0.000 0.000 0.212 348 L C 2.278 179.225 176.870 0.129 0.000 1.105 348 L CA 0.487 55.495 54.840 0.281 0.000 0.775 348 L CB -0.117 42.132 42.059 0.317 0.000 0.913 348 L HN 0.060 nan 8.230 nan 0.000 0.440 349 L N -1.087 120.162 121.223 0.043 0.000 2.202 349 L HA -0.045 4.295 4.340 0.000 0.000 0.205 349 L C 2.610 179.367 176.870 -0.189 0.000 1.083 349 L CA 0.856 55.628 54.840 -0.112 0.000 0.790 349 L CB -0.138 41.932 42.059 0.019 0.000 0.942 349 L HN 0.156 nan 8.230 nan 0.000 0.452 350 R N -0.940 119.515 120.500 -0.074 0.000 2.206 350 R HA 0.083 4.423 4.340 0.000 0.000 0.198 350 R C -0.044 176.224 176.300 -0.052 0.000 0.986 350 R CA 0.087 56.149 56.100 -0.062 0.000 1.029 350 R CB 0.220 30.526 30.300 0.010 0.000 0.966 350 R HN 0.253 nan 8.270 nan 0.000 0.487 351 D N 0.104 120.502 120.400 -0.003 0.000 2.432 351 D HA 0.019 4.659 4.640 0.000 0.000 0.258 351 D C 0.156 176.542 176.300 0.143 0.000 1.146 351 D CA -0.143 53.903 54.000 0.077 0.000 1.015 351 D CB 0.965 41.843 40.800 0.130 0.000 1.107 351 D HN -0.135 nan 8.370 nan 0.000 0.529 352 D N -1.941 118.597 120.400 0.231 0.000 2.366 352 D HA -0.020 4.620 4.640 0.000 0.000 0.205 352 D C -0.859 175.717 176.300 0.460 0.000 1.022 352 D CA 0.148 54.356 54.000 0.345 0.000 0.868 352 D CB 0.338 41.275 40.800 0.228 0.000 0.953 352 D HN 0.262 nan 8.370 nan 0.000 0.514 353 Y N -0.384 120.054 120.300 0.230 0.000 2.442 353 Y HA 0.456 5.006 4.550 0.000 0.000 0.330 353 Y C -1.668 174.319 175.900 0.144 0.000 1.100 353 Y CA -0.757 57.435 58.100 0.152 0.000 1.034 353 Y CB 1.807 40.322 38.460 0.092 0.000 1.285 353 Y HN -0.281 nan 8.280 nan 0.000 0.440 354 T N 5.381 119.629 114.554 -0.510 0.000 3.011 354 T HA 0.243 4.594 4.350 0.000 0.000 0.303 354 T C -1.043 173.331 174.700 -0.543 0.000 0.997 354 T CA -0.753 61.142 62.100 -0.342 0.000 1.007 354 T CB 1.477 70.317 68.868 -0.046 0.000 1.017 354 T HN 0.650 nan 8.240 nan 0.000 0.443 355 E N 2.192 122.137 120.200 -0.424 0.000 2.366 355 E HA 0.211 4.561 4.350 0.000 0.000 0.266 355 E C 0.264 176.802 176.600 -0.103 0.000 1.051 355 E CA -0.672 55.580 56.400 -0.247 0.000 0.884 355 E CB 0.756 30.425 29.700 -0.052 0.000 1.006 355 E HN 0.447 nan 8.360 nan 0.000 0.417 356 K N 2.687 123.056 120.400 -0.052 0.000 2.550 356 K HA -0.131 4.189 4.320 0.000 0.000 0.280 356 K C -0.945 175.625 176.600 -0.049 0.000 0.987 356 K CA 0.624 56.894 56.287 -0.029 0.000 1.048 356 K CB 0.342 32.833 32.500 -0.014 0.000 0.879 356 K HN 0.387 nan 8.250 nan 0.000 0.491 357 D N 3.885 124.244 120.400 -0.068 0.000 2.445 357 D HA 0.145 4.785 4.640 0.000 0.000 0.236 357 D C 0.307 176.536 176.300 -0.118 0.000 1.315 357 D CA -0.491 53.465 54.000 -0.074 0.000 0.924 357 D CB 0.543 41.315 40.800 -0.046 0.000 1.447 357 D HN 0.525 nan 8.370 nan 0.000 0.532 358 R N 0.738 121.135 120.500 -0.173 0.000 2.200 358 R HA -0.094 4.246 4.340 0.000 0.000 0.234 358 R C 1.819 178.021 176.300 -0.164 0.000 1.127 358 R CA 1.261 57.207 56.100 -0.256 0.000 0.989 358 R CB -0.649 29.479 30.300 -0.287 0.000 0.869 358 R HN 0.511 nan 8.270 nan 0.000 0.459 359 S N 0.298 115.937 115.700 -0.101 0.000 2.474 359 S HA -0.065 4.405 4.470 0.000 0.000 0.235 359 S C 1.517 176.086 174.600 -0.052 0.000 0.997 359 S CA 0.653 58.813 58.200 -0.066 0.000 0.949 359 S CB -0.009 63.163 63.200 -0.047 0.000 0.766 359 S HN 0.303 nan 8.310 nan 0.000 0.517 360 R N 0.187 120.652 120.500 -0.057 0.000 2.509 360 R HA 0.336 4.676 4.340 0.000 0.000 0.300 360 R C 1.185 177.473 176.300 -0.020 0.000 0.985 360 R CA 0.288 56.367 56.100 -0.035 0.000 1.092 360 R CB 0.365 30.645 30.300 -0.034 0.000 1.237 360 R HN 0.506 nan 8.270 nan 0.000 0.546 361 G N 1.772 110.539 108.800 -0.055 0.000 2.148 361 G HA2 -0.274 3.686 3.960 0.000 0.000 0.254 361 G HA3 -0.274 3.686 3.960 0.000 0.000 0.254 361 G C 0.153 175.094 174.900 0.069 0.000 0.981 361 G CA -0.115 44.973 45.100 -0.020 0.000 0.670 361 G HN 0.294 nan 8.290 nan 0.000 0.528 362 I N 0.932 121.500 120.570 -0.004 0.000 2.281 362 I HA 0.303 4.474 4.170 0.000 0.000 0.293 362 I C 1.191 177.304 176.117 -0.007 0.000 1.085 362 I CA -0.899 60.443 61.300 0.071 0.000 1.257 362 I CB 0.397 38.420 38.000 0.039 0.000 1.430 362 I HN 0.050 nan 8.210 nan 0.000 0.489 363 Y N 5.204 125.421 120.300 -0.139 0.000 2.519 363 Y HA 0.170 4.720 4.550 0.000 0.000 0.287 363 Y C 0.210 175.797 175.900 -0.521 0.000 1.128 363 Y CA 0.304 58.191 58.100 -0.355 0.000 1.282 363 Y CB -0.108 38.005 38.460 -0.578 0.000 1.027 363 Y HN 0.305 nan 8.280 nan 0.000 0.551 364 F N -1.886 118.185 119.950 0.201 0.000 2.588 364 F HA 0.393 4.920 4.527 0.000 0.000 0.310 364 F C 0.149 175.952 175.800 0.006 0.000 1.082 364 F CA -1.681 56.384 58.000 0.109 0.000 0.929 364 F CB 1.118 40.182 39.000 0.107 0.000 1.254 364 F HN -0.505 nan 8.300 nan 0.000 0.455 365 T N 1.863 116.514 114.554 0.162 0.000 2.851 365 T HA 0.324 4.675 4.350 0.000 0.000 0.298 365 T C -0.553 174.111 174.700 -0.060 0.000 0.977 365 T CA -0.095 61.984 62.100 -0.034 0.000 1.126 365 T CB 0.749 69.602 68.868 -0.025 0.000 0.916 365 T HN 0.450 nan 8.240 nan 0.000 0.529 366 Q N 2.161 121.850 119.800 -0.184 0.000 2.340 366 Q HA 0.556 4.896 4.340 0.000 0.000 0.268 366 Q C -1.217 174.606 176.000 -0.295 0.000 1.031 366 Q CA -0.407 55.243 55.803 -0.254 0.000 0.804 366 Q CB 1.517 30.109 28.738 -0.243 0.000 1.286 366 Q HN 0.582 nan 8.270 nan 0.000 0.448 367 S N 3.060 118.582 115.700 -0.296 0.000 2.532 367 S HA 0.463 4.933 4.470 0.000 0.000 0.301 367 S C -0.755 173.640 174.600 -0.342 0.000 1.083 367 S CA -0.529 57.612 58.200 -0.099 0.000 1.025 367 S CB 0.603 63.855 63.200 0.088 0.000 1.056 367 S HN 0.824 nan 8.310 nan 0.000 0.494 368 W N 0.924 122.269 121.300 0.075 0.000 3.008 368 W HA 0.218 4.878 4.660 0.000 0.000 0.355 368 W C 0.615 177.155 176.519 0.035 0.000 1.095 368 W CA -0.459 56.907 57.345 0.036 0.000 1.738 368 W CB -0.070 29.405 29.460 0.024 0.000 1.091 368 W HN 0.607 nan 8.180 nan 0.000 0.574 369 V N -0.187 119.850 119.914 0.204 0.000 5.257 369 V HA -0.392 3.728 4.120 0.000 0.000 0.265 369 V C 0.673 176.850 176.094 0.137 0.000 0.646 369 V CA 0.758 63.140 62.300 0.137 0.000 0.650 369 V CB -2.554 29.324 31.823 0.091 0.000 0.424 369 V HN 0.477 nan 8.190 nan 0.000 0.862 370 S N -2.276 113.517 115.700 0.154 0.000 3.361 370 S HA -0.200 4.270 4.470 0.000 0.000 0.288 370 S C 0.656 175.310 174.600 0.091 0.000 1.269 370 S CA 1.266 59.532 58.200 0.109 0.000 0.976 370 S CB -1.788 61.455 63.200 0.072 0.000 1.162 370 S HN 1.519 nan 8.310 nan 0.000 0.643 371 T N 3.763 118.400 114.554 0.138 0.000 2.871 371 T HA 0.280 4.630 4.350 0.000 0.000 0.296 371 T C -1.837 172.841 174.700 -0.036 0.000 0.998 371 T CA -0.339 61.803 62.100 0.070 0.000 1.162 371 T CB 0.281 69.236 68.868 0.144 0.000 0.947 371 T HN 0.095 nan 8.240 nan 0.000 0.536 372 P HA 0.178 nan 4.420 nan 0.000 0.267 372 P C 0.352 177.559 177.300 -0.156 0.000 1.201 372 P CA -0.138 62.918 63.100 -0.073 0.000 0.775 372 P CB 0.386 32.052 31.700 -0.056 0.000 0.854 373 G N 0.840 109.565 108.800 -0.124 0.000 2.448 373 G HA2 0.461 4.421 3.960 0.000 0.000 0.285 373 G HA3 0.461 4.421 3.960 0.000 0.000 0.285 373 G C -0.805 174.021 174.900 -0.124 0.000 1.176 373 G CA -0.413 44.587 45.100 -0.167 0.000 0.852 373 G HN 0.346 nan 8.290 nan 0.000 0.530 374 V N 1.978 121.803 119.914 -0.148 0.000 2.472 374 V HA 0.262 4.382 4.120 0.000 0.000 0.290 374 V C -0.069 175.994 176.094 -0.052 0.000 1.037 374 V CA -0.898 61.343 62.300 -0.098 0.000 0.908 374 V CB 1.534 33.270 31.823 -0.145 0.000 0.985 374 V HN 0.533 nan 8.190 nan 0.000 0.454 375 L N 8.432 129.640 121.223 -0.025 0.000 2.313 375 L HA 0.440 4.780 4.340 0.000 0.000 0.282 375 L C -1.997 174.806 176.870 -0.113 0.000 1.092 375 L CA -1.728 53.071 54.840 -0.067 0.000 0.831 375 L CB 0.934 42.926 42.059 -0.110 0.000 1.159 375 L HN 0.454 nan 8.230 nan 0.000 0.442 376 P HA 0.132 nan 4.420 nan 0.000 0.279 376 P C -1.110 176.012 177.300 -0.298 0.000 1.239 376 P CA -0.244 62.793 63.100 -0.105 0.000 0.789 376 P CB 1.366 33.080 31.700 0.024 0.000 0.933 377 V N 2.934 122.665 119.914 -0.306 0.000 2.378 377 V HA 0.498 4.618 4.120 0.000 0.000 0.288 377 V C 0.506 176.319 176.094 -0.469 0.000 1.016 377 V CA -0.823 61.230 62.300 -0.411 0.000 0.840 377 V CB 1.163 32.757 31.823 -0.383 0.000 0.994 377 V HN 0.693 nan 8.190 nan 0.000 0.431 378 A N 3.888 126.377 122.820 -0.551 0.000 2.260 378 A HA 0.804 5.124 4.320 0.000 0.000 0.308 378 A C 0.081 177.437 177.584 -0.380 0.000 1.254 378 A CA -0.216 51.550 52.037 -0.453 0.000 0.874 378 A CB 0.909 19.582 19.000 -0.546 0.000 1.153 378 A HN 0.892 nan 8.150 nan 0.000 0.527 379 S N 1.750 117.297 115.700 -0.254 0.000 2.543 379 S HA 0.713 5.183 4.470 0.000 0.000 0.273 379 S C -0.534 173.996 174.600 -0.117 0.000 1.152 379 S CA 0.391 58.465 58.200 -0.209 0.000 0.910 379 S CB 1.168 64.319 63.200 -0.082 0.000 1.105 379 S HN 2.551 nan 8.310 nan 0.000 0.465 380 G N 1.914 110.610 108.800 -0.174 0.000 2.594 380 G HA2 0.455 4.415 3.960 0.000 0.000 0.422 380 G HA3 0.455 4.415 3.960 0.000 0.000 0.422 380 G C 0.808 175.539 174.900 -0.282 0.000 1.190 380 G CA 0.307 45.306 45.100 -0.168 0.000 1.234 380 G HN 2.139 nan 8.290 nan 0.000 0.584 381 G N 0.137 108.783 108.800 -0.256 0.000 2.198 381 G HA2 -0.008 3.952 3.960 0.000 0.000 0.257 381 G HA3 -0.008 3.952 3.960 0.000 0.000 0.257 381 G C 0.529 175.346 174.900 -0.139 0.000 1.042 381 G CA 0.908 45.814 45.100 -0.324 0.000 0.791 381 G HN 2.228 nan 8.290 nan 0.000 0.502 382 I N -2.280 118.221 120.570 -0.116 0.000 2.648 382 I HA 0.985 5.155 4.170 0.000 0.000 0.304 382 I C 0.100 176.416 176.117 0.330 0.000 1.009 382 I CA -1.443 59.840 61.300 -0.028 0.000 1.114 382 I CB 1.894 39.734 38.000 -0.266 0.000 1.293 382 I HN 0.344 nan 8.210 nan 0.000 0.449 383 H N 1.106 120.526 119.070 0.583 0.000 2.933 383 H HA 0.437 4.994 4.556 0.000 0.000 0.310 383 H C 0.662 176.112 175.328 0.204 0.000 1.351 383 H CA -0.438 55.745 56.048 0.225 0.000 1.137 383 H CB 0.661 30.275 29.762 -0.246 0.000 1.853 383 H HN 0.384 nan 8.280 nan 0.000 0.539 384 V N -2.670 117.315 119.914 0.118 0.000 2.313 384 V HA -0.316 3.804 4.120 0.000 0.000 0.253 384 V C 1.390 177.463 176.094 -0.035 0.000 1.070 384 V CA 2.087 64.335 62.300 -0.088 0.000 1.057 384 V CB -1.315 30.371 31.823 -0.229 0.000 0.653 384 V HN 0.815 nan 8.190 nan 0.000 0.450 385 W N 0.338 121.741 121.300 0.171 0.000 2.465 385 W HA 0.021 4.681 4.660 0.000 0.000 0.268 385 W C 2.486 178.955 176.519 -0.082 0.000 1.242 385 W CA 1.325 58.682 57.345 0.021 0.000 1.248 385 W CB -0.538 28.962 29.460 0.065 0.000 1.118 385 W HN 0.406 nan 8.180 nan 0.000 0.587 386 H N -1.310 117.825 119.070 0.108 0.000 2.548 386 H HA -0.036 4.520 4.556 0.000 0.000 0.268 386 H C 2.016 177.419 175.328 0.126 0.000 0.975 386 H CA 0.710 56.800 56.048 0.071 0.000 1.195 386 H CB -0.022 29.729 29.762 -0.019 0.000 1.397 386 H HN -0.035 nan 8.280 nan 0.000 0.572 387 M N 1.196 120.937 119.600 0.235 0.000 2.089 387 M HA -0.114 4.366 4.480 0.000 0.000 0.257 387 M C -1.002 175.392 176.300 0.156 0.000 1.071 387 M CA 1.818 57.229 55.300 0.185 0.000 1.096 387 M CB -0.540 32.101 32.600 0.069 0.000 1.330 387 M HN 0.116 nan 8.290 nan 0.000 0.403 388 P HA -0.053 nan 4.420 nan 0.000 0.216 388 P C 1.053 178.422 177.300 0.116 0.000 1.153 388 P CA 2.070 65.239 63.100 0.115 0.000 0.848 388 P CB -0.250 31.518 31.700 0.113 0.000 0.787 389 A N -0.742 122.160 122.820 0.136 0.000 1.930 389 A HA -0.135 4.185 4.320 0.000 0.000 0.217 389 A C 2.162 179.810 177.584 0.107 0.000 1.175 389 A CA 1.328 53.429 52.037 0.108 0.000 0.627 389 A CB -1.624 17.452 19.000 0.127 0.000 0.815 389 A HN 0.097 nan 8.150 nan 0.000 0.443 390 L N -0.761 120.565 121.223 0.171 0.000 2.056 390 L HA -0.147 4.194 4.340 0.000 0.000 0.207 390 L C 2.749 179.772 176.870 0.256 0.000 1.078 390 L CA 1.744 56.736 54.840 0.252 0.000 0.749 390 L CB -0.990 41.226 42.059 0.261 0.000 0.901 390 L HN 0.315 nan 8.230 nan 0.000 0.433 391 T N -1.078 113.584 114.554 0.180 0.000 2.788 391 T HA -0.226 4.124 4.350 0.000 0.000 0.268 391 T C 1.791 176.558 174.700 0.112 0.000 1.044 391 T CA 1.437 63.625 62.100 0.147 0.000 1.139 391 T CB -0.135 68.800 68.868 0.111 0.000 0.867 391 T HN 0.374 nan 8.240 nan 0.000 0.454 392 E N 0.528 120.774 120.200 0.077 0.000 2.158 392 E HA -0.028 4.322 4.350 0.000 0.000 0.191 392 E C 2.144 178.729 176.600 -0.025 0.000 0.982 392 E CA 0.551 56.970 56.400 0.032 0.000 0.823 392 E CB -0.082 29.634 29.700 0.027 0.000 0.766 392 E HN 0.493 nan 8.360 nan 0.000 0.468 393 I N -0.071 120.447 120.570 -0.087 0.000 2.193 393 I HA -0.223 3.947 4.170 0.000 0.000 0.240 393 I C 1.836 177.741 176.117 -0.354 0.000 1.084 393 I CA 1.121 62.237 61.300 -0.305 0.000 1.365 393 I CB -0.187 37.475 38.000 -0.563 0.000 1.064 393 I HN 0.065 nan 8.210 nan 0.000 0.410 394 F N 0.498 120.445 119.950 -0.004 0.000 2.530 394 F HA 0.327 4.854 4.527 0.000 0.000 0.292 394 F C 1.571 177.374 175.800 0.005 0.000 1.109 394 F CA 0.574 58.570 58.000 -0.006 0.000 1.450 394 F CB -0.747 38.247 39.000 -0.011 0.000 1.114 394 F HN 0.155 nan 8.300 nan 0.000 0.560 395 G N 0.727 109.636 108.800 0.183 0.000 2.741 395 G HA2 -0.272 3.688 3.960 0.000 0.000 0.222 395 G HA3 -0.272 3.688 3.960 0.000 0.000 0.222 395 G C 0.189 175.162 174.900 0.121 0.000 1.364 395 G CA -0.056 45.116 45.100 0.120 0.000 0.866 395 G HN 0.125 nan 8.290 nan 0.000 0.555 396 D N 0.472 120.926 120.400 0.089 0.000 2.123 396 D HA -0.033 4.607 4.640 0.000 0.000 0.196 396 D C 1.114 177.452 176.300 0.064 0.000 0.992 396 D CA 1.686 55.731 54.000 0.075 0.000 0.833 396 D CB -0.195 40.649 40.800 0.073 0.000 0.954 396 D HN 0.448 nan 8.370 nan 0.000 0.455 397 D N 0.641 121.082 120.400 0.068 0.000 2.608 397 D HA 0.166 4.806 4.640 0.000 0.000 0.224 397 D C 0.068 176.381 176.300 0.020 0.000 1.123 397 D CA 0.097 54.124 54.000 0.046 0.000 1.030 397 D CB -0.163 40.668 40.800 0.052 0.000 1.093 397 D HN 0.058 nan 8.370 nan 0.000 0.497 398 S N -1.392 114.292 115.700 -0.026 0.000 2.615 398 S HA 0.618 5.088 4.470 0.000 0.000 0.269 398 S C -1.008 173.499 174.600 -0.155 0.000 1.161 398 S CA -0.925 57.192 58.200 -0.138 0.000 0.817 398 S CB 1.727 64.814 63.200 -0.189 0.000 1.131 398 S HN -0.078 nan 8.310 nan 0.000 0.467 399 V N 1.654 121.420 119.914 -0.247 0.000 2.444 399 V HA 0.496 4.616 4.120 0.000 0.000 0.294 399 V C -0.826 175.139 176.094 -0.215 0.000 1.022 399 V CA -0.624 61.583 62.300 -0.155 0.000 0.850 399 V CB 1.193 32.922 31.823 -0.158 0.000 0.992 399 V HN 0.814 nan 8.190 nan 0.000 0.426 400 L N 5.138 126.288 121.223 -0.122 0.000 2.272 400 L HA 0.580 4.920 4.340 0.000 0.000 0.289 400 L C -0.127 176.596 176.870 -0.245 0.000 1.032 400 L CA -0.335 54.380 54.840 -0.209 0.000 0.810 400 L CB 1.220 43.284 42.059 0.007 0.000 1.205 400 L HN 0.621 nan 8.230 nan 0.000 0.422 401 Q N 3.584 123.091 119.800 -0.489 0.000 2.316 401 Q HA 0.535 4.875 4.340 0.000 0.000 0.264 401 Q C -1.467 174.126 176.000 -0.679 0.000 0.987 401 Q CA -0.473 55.102 55.803 -0.379 0.000 0.852 401 Q CB 2.422 31.032 28.738 -0.213 0.000 1.287 401 Q HN 0.411 nan 8.270 nan 0.000 0.448 402 F N 0.884 120.800 119.950 -0.058 0.000 2.552 402 F HA 0.346 4.873 4.527 0.000 0.000 0.369 402 F C 0.887 176.654 175.800 -0.055 0.000 1.112 402 F CA -0.710 57.252 58.000 -0.063 0.000 1.129 402 F CB 1.174 40.138 39.000 -0.060 0.000 1.360 402 F HN 0.752 nan 8.300 nan 0.000 0.473 403 G N 1.458 110.285 108.800 0.045 0.000 2.572 403 G HA2 0.026 3.986 3.960 0.000 0.000 0.214 403 G HA3 0.026 3.986 3.960 0.000 0.000 0.214 403 G C 1.769 176.704 174.900 0.059 0.000 1.246 403 G CA 0.673 45.791 45.100 0.030 0.000 0.835 403 G HN 0.734 nan 8.290 nan 0.000 0.551 404 G N 0.682 109.509 108.800 0.045 0.000 2.422 404 G HA2 0.071 4.031 3.960 0.000 0.000 0.218 404 G HA3 0.071 4.031 3.960 0.000 0.000 0.218 404 G C 1.698 176.642 174.900 0.074 0.000 1.146 404 G CA 1.314 46.461 45.100 0.078 0.000 0.769 404 G HN 0.677 nan 8.290 nan 0.000 0.547 405 G N -0.695 108.087 108.800 -0.031 0.000 2.625 405 G HA2 0.115 4.075 3.960 0.000 0.000 0.214 405 G HA3 0.115 4.075 3.960 0.000 0.000 0.214 405 G C 1.426 176.380 174.900 0.090 0.000 1.132 405 G CA 1.605 46.587 45.100 -0.197 0.000 0.782 405 G HN 0.423 nan 8.290 nan 0.000 0.538 406 T N 0.104 114.760 114.554 0.170 0.000 3.138 406 T HA 0.093 4.443 4.350 0.000 0.000 0.245 406 T C 1.799 176.614 174.700 0.192 0.000 0.982 406 T CA -0.140 62.057 62.100 0.163 0.000 1.134 406 T CB -0.013 68.907 68.868 0.087 0.000 1.032 406 T HN 0.047 nan 8.240 nan 0.000 0.442 407 L N 1.746 123.058 121.223 0.149 0.000 2.610 407 L HA 0.300 4.640 4.340 0.000 0.000 0.232 407 L C 2.126 179.112 176.870 0.192 0.000 1.149 407 L CA 0.732 55.651 54.840 0.131 0.000 0.872 407 L CB -0.353 41.745 42.059 0.066 0.000 0.992 407 L HN 0.368 nan 8.230 nan 0.000 0.447 408 G N -3.193 105.799 108.800 0.319 0.000 3.126 408 G HA2 -0.060 3.900 3.960 0.000 0.000 0.224 408 G HA3 -0.060 3.900 3.960 0.000 0.000 0.224 408 G C 0.547 175.638 174.900 0.317 0.000 1.142 408 G CA -0.283 45.055 45.100 0.396 0.000 0.759 408 G HN 0.299 nan 8.290 nan 0.000 0.550 409 H N 2.119 121.326 119.070 0.229 0.000 2.928 409 H HA 0.081 4.637 4.556 0.000 0.000 0.338 409 H C -1.040 174.252 175.328 -0.061 0.000 1.047 409 H CA -0.918 55.124 56.048 -0.010 0.000 1.435 409 H CB 2.062 31.838 29.762 0.023 0.000 1.428 409 H HN 0.029 nan 8.280 nan 0.000 0.590 410 P HA -0.115 nan 4.420 nan 0.000 0.225 410 P C 0.614 178.163 177.300 0.414 0.000 1.148 410 P CA 0.961 64.055 63.100 -0.009 0.000 0.779 410 P CB 0.119 31.716 31.700 -0.171 0.000 0.780 411 W N 0.527 122.012 121.300 0.309 0.000 3.220 411 W HA 0.501 5.161 4.660 0.000 0.000 0.328 411 W C 1.075 177.645 176.519 0.085 0.000 1.205 411 W CA 0.467 57.917 57.345 0.176 0.000 1.773 411 W CB -0.482 29.080 29.460 0.170 0.000 1.086 411 W HN 0.057 nan 8.180 nan 0.000 0.622 412 G N 0.672 109.654 108.800 0.303 0.000 2.462 412 G HA2 -0.264 3.696 3.960 0.000 0.000 0.685 412 G HA3 -0.264 3.696 3.960 0.000 0.000 0.685 412 G C 0.552 175.489 174.900 0.062 0.000 1.295 412 G CA -0.268 44.918 45.100 0.143 0.000 0.941 412 G HN -0.070 nan 8.290 nan 0.000 0.554 413 N N -0.029 118.682 118.700 0.018 0.000 2.106 413 N HA 0.005 4.745 4.740 0.000 0.000 0.188 413 N C 2.765 178.223 175.510 -0.087 0.000 1.029 413 N CA 2.566 55.601 53.050 -0.026 0.000 0.848 413 N CB -0.669 37.796 38.487 -0.037 0.000 1.007 413 N HN 1.095 nan 8.380 nan 0.000 0.423 414 A N 1.389 124.149 122.820 -0.099 0.000 1.883 414 A HA -0.069 4.251 4.320 0.000 0.000 0.217 414 A C -0.181 177.319 177.584 -0.140 0.000 1.186 414 A CA 1.487 53.449 52.037 -0.125 0.000 0.624 414 A CB -1.536 17.392 19.000 -0.121 0.000 0.822 414 A HN 0.238 nan 8.150 nan 0.000 0.444 415 P HA -0.020 nan 4.420 nan 0.000 0.219 415 P C 1.668 178.581 177.300 -0.644 0.000 1.150 415 P CA 1.475 64.398 63.100 -0.295 0.000 0.814 415 P CB -0.272 31.343 31.700 -0.143 0.000 0.787 416 G N 0.258 108.698 108.800 -0.601 0.000 2.422 416 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 416 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 416 G C 1.598 176.389 174.900 -0.182 0.000 1.146 416 G CA 0.900 45.779 45.100 -0.368 0.000 0.769 416 G HN 0.298 nan 8.290 nan 0.000 0.547 417 A N 0.095 122.819 122.820 -0.160 0.000 1.897 417 A HA 0.155 4.475 4.320 0.000 0.000 0.215 417 A C 2.578 180.080 177.584 -0.136 0.000 1.181 417 A CA 1.581 53.545 52.037 -0.121 0.000 0.620 417 A CB -0.579 18.361 19.000 -0.101 0.000 0.821 417 A HN 0.225 nan 8.150 nan 0.000 0.443 418 V N 0.083 119.910 119.914 -0.145 0.000 2.332 418 V HA -0.284 3.836 4.120 0.000 0.000 0.248 418 V C 3.054 179.065 176.094 -0.139 0.000 1.055 418 V CA 1.953 64.185 62.300 -0.113 0.000 1.038 418 V CB -1.231 30.539 31.823 -0.089 0.000 0.651 418 V HN 0.618 nan 8.190 nan 0.000 0.450 419 A N 0.480 123.187 122.820 -0.187 0.000 1.883 419 A HA -0.300 4.020 4.320 0.000 0.000 0.217 419 A C 2.032 179.484 177.584 -0.220 0.000 1.186 419 A CA 2.512 54.435 52.037 -0.190 0.000 0.624 419 A CB -0.872 18.061 19.000 -0.113 0.000 0.822 419 A HN 0.687 nan 8.150 nan 0.000 0.444 420 N N -1.206 117.341 118.700 -0.255 0.000 2.142 420 N HA -0.156 4.584 4.740 0.000 0.000 0.186 420 N C 1.951 177.318 175.510 -0.238 0.000 1.023 420 N CA 1.368 54.186 53.050 -0.386 0.000 0.852 420 N CB -0.151 38.004 38.487 -0.554 0.000 0.998 420 N HN 0.435 nan 8.380 nan 0.000 0.424 421 R N 1.126 121.537 120.500 -0.149 0.000 2.081 421 R HA -0.007 4.333 4.340 0.000 0.000 0.235 421 R C 1.711 177.985 176.300 -0.043 0.000 1.131 421 R CA 1.080 57.134 56.100 -0.077 0.000 0.960 421 R CB -0.753 29.514 30.300 -0.055 0.000 0.856 421 R HN 0.030 nan 8.270 nan 0.000 0.436 422 V N 0.831 120.714 119.914 -0.052 0.000 2.343 422 V HA -0.185 3.935 4.120 0.000 0.000 0.247 422 V C 2.355 178.421 176.094 -0.047 0.000 1.051 422 V CA 1.888 64.188 62.300 -0.000 0.000 1.036 422 V CB -0.935 30.831 31.823 -0.094 0.000 0.654 422 V HN 0.544 nan 8.190 nan 0.000 0.451 423 A N -0.156 122.581 122.820 -0.140 0.000 1.883 423 A HA -0.229 4.091 4.320 0.000 0.000 0.217 423 A C 2.178 179.727 177.584 -0.059 0.000 1.186 423 A CA 2.251 54.201 52.037 -0.145 0.000 0.624 423 A CB -0.638 18.231 19.000 -0.219 0.000 0.822 423 A HN 0.452 nan 8.150 nan 0.000 0.444 424 L N 0.120 121.315 121.223 -0.047 0.000 2.017 424 L HA -0.166 4.174 4.340 0.000 0.000 0.208 424 L C 2.244 179.135 176.870 0.034 0.000 1.073 424 L CA 2.503 57.349 54.840 0.009 0.000 0.745 424 L CB -0.670 41.399 42.059 0.016 0.000 0.894 424 L HN 0.527 nan 8.230 nan 0.000 0.432 425 E N -0.533 119.691 120.200 0.040 0.000 2.150 425 E HA -0.190 4.161 4.350 0.000 0.000 0.193 425 E C 2.132 178.783 176.600 0.085 0.000 0.985 425 E CA 0.947 57.385 56.400 0.063 0.000 0.814 425 E CB -0.266 29.477 29.700 0.072 0.000 0.752 425 E HN 0.666 nan 8.360 nan 0.000 0.466 426 A N 0.898 123.780 122.820 0.102 0.000 1.902 426 A HA -0.193 4.127 4.320 0.000 0.000 0.217 426 A C 2.427 180.060 177.584 0.080 0.000 1.181 426 A CA 1.192 53.304 52.037 0.124 0.000 0.623 426 A CB -0.808 18.255 19.000 0.106 0.000 0.818 426 A HN 0.345 nan 8.150 nan 0.000 0.443 427 C N -1.431 117.903 119.300 0.058 0.000 2.440 427 C HA -0.017 4.443 4.460 0.000 0.000 0.278 427 C C 2.744 177.770 174.990 0.060 0.000 1.295 427 C CA 0.900 59.953 59.018 0.058 0.000 1.738 427 C CB -1.167 26.609 27.740 0.059 0.000 1.987 427 C HN 0.451 nan 8.230 nan 0.000 0.492 428 V N 0.561 120.510 119.914 0.059 0.000 2.307 428 V HA -0.274 3.846 4.120 0.000 0.000 0.245 428 V C 2.538 178.663 176.094 0.050 0.000 1.045 428 V CA 2.201 64.534 62.300 0.055 0.000 1.024 428 V CB -0.846 31.009 31.823 0.052 0.000 0.651 428 V HN 0.621 nan 8.190 nan 0.000 0.449 429 Q N -0.146 119.685 119.800 0.053 0.000 2.061 429 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 429 Q C 2.263 178.290 176.000 0.045 0.000 0.984 429 Q CA 2.169 57.999 55.803 0.045 0.000 0.846 429 Q CB -0.303 28.464 28.738 0.048 0.000 0.902 429 Q HN 0.623 nan 8.270 nan 0.000 0.421 430 A N 1.494 124.346 122.820 0.054 0.000 1.865 430 A HA -0.253 4.067 4.320 0.000 0.000 0.217 430 A C 2.157 179.767 177.584 0.044 0.000 1.191 430 A CA 1.719 53.787 52.037 0.051 0.000 0.623 430 A CB -0.834 18.201 19.000 0.058 0.000 0.826 430 A HN 0.488 nan 8.150 nan 0.000 0.444 431 R N 0.109 120.637 120.500 0.046 0.000 2.083 431 R HA -0.180 4.160 4.340 0.000 0.000 0.237 431 R C 1.874 178.196 176.300 0.036 0.000 1.137 431 R CA 2.020 58.145 56.100 0.042 0.000 0.951 431 R CB -0.610 29.718 30.300 0.046 0.000 0.851 431 R HN 0.739 nan 8.270 nan 0.000 0.434 432 N N 0.033 118.754 118.700 0.036 0.000 2.223 432 N HA -0.153 4.587 4.740 0.000 0.000 0.185 432 N C 1.056 176.581 175.510 0.026 0.000 1.016 432 N CA 1.097 54.165 53.050 0.030 0.000 0.863 432 N CB 0.002 38.507 38.487 0.029 0.000 0.983 432 N HN 0.438 nan 8.380 nan 0.000 0.429 433 E N -0.394 119.823 120.200 0.027 0.000 2.502 433 E HA 0.036 4.386 4.350 0.000 0.000 0.194 433 E C 0.951 177.565 176.600 0.024 0.000 1.062 433 E CA 0.100 56.514 56.400 0.024 0.000 0.867 433 E CB 0.300 30.015 29.700 0.025 0.000 0.888 433 E HN 0.471 nan 8.360 nan 0.000 0.510 434 G N 1.651 110.466 108.800 0.025 0.000 2.179 434 G HA2 -0.244 3.716 3.960 0.000 0.000 0.220 434 G HA3 -0.244 3.716 3.960 0.000 0.000 0.220 434 G C 0.243 175.159 174.900 0.026 0.000 0.990 434 G CA -0.398 44.717 45.100 0.024 0.000 0.646 434 G HN 0.079 nan 8.290 nan 0.000 0.517 435 R N 0.726 121.244 120.500 0.031 0.000 2.641 435 R HA 0.306 4.646 4.340 0.000 0.000 0.269 435 R C -0.636 175.685 176.300 0.034 0.000 1.074 435 R CA -0.327 55.794 56.100 0.034 0.000 1.133 435 R CB 0.558 30.881 30.300 0.040 0.000 1.029 435 R HN 0.227 nan 8.270 nan 0.000 0.488 436 D N 2.925 123.345 120.400 0.034 0.000 2.380 436 D HA 0.048 4.688 4.640 0.000 0.000 0.230 436 D C 1.249 177.573 176.300 0.040 0.000 1.154 436 D CA -0.117 53.902 54.000 0.033 0.000 0.859 436 D CB 0.823 41.639 40.800 0.028 0.000 1.045 436 D HN 0.410 nan 8.370 nan 0.000 0.495 437 L N 3.248 124.496 121.223 0.043 0.000 2.079 437 L HA -0.217 4.123 4.340 0.000 0.000 0.210 437 L C 2.468 179.371 176.870 0.054 0.000 1.081 437 L CA 1.395 56.267 54.840 0.053 0.000 0.752 437 L CB -0.331 41.761 42.059 0.055 0.000 0.896 437 L HN 0.434 nan 8.230 nan 0.000 0.433 438 A N 0.002 122.847 122.820 0.042 0.000 1.877 438 A HA -0.162 4.158 4.320 0.000 0.000 0.216 438 A C 2.412 180.020 177.584 0.041 0.000 1.186 438 A CA 1.320 53.381 52.037 0.040 0.000 0.620 438 A CB -0.330 18.685 19.000 0.026 0.000 0.822 438 A HN 0.318 nan 8.150 nan 0.000 0.443 439 R N -0.370 120.151 120.500 0.036 0.000 2.100 439 R HA 0.009 4.349 4.340 0.000 0.000 0.220 439 R C 1.194 177.519 176.300 0.043 0.000 1.091 439 R CA 1.258 57.378 56.100 0.034 0.000 0.986 439 R CB -0.223 30.094 30.300 0.027 0.000 0.888 439 R HN 0.657 nan 8.270 nan 0.000 0.444 440 E N 0.192 120.422 120.200 0.049 0.000 2.474 440 E HA 0.086 4.436 4.350 0.000 0.000 0.195 440 E C 1.665 178.312 176.600 0.077 0.000 1.039 440 E CA 0.084 56.519 56.400 0.058 0.000 0.881 440 E CB 0.398 30.129 29.700 0.052 0.000 0.970 440 E HN 0.345 nan 8.360 nan 0.000 0.486 441 G N 2.596 111.447 108.800 0.086 0.000 2.599 441 G HA2 -0.377 3.583 3.960 0.000 0.000 0.219 441 G HA3 -0.377 3.583 3.960 0.000 0.000 0.219 441 G C 1.327 176.323 174.900 0.160 0.000 1.193 441 G CA 1.294 46.462 45.100 0.114 0.000 0.778 441 G HN 0.266 nan 8.290 nan 0.000 0.589 442 N N -0.320 118.493 118.700 0.189 0.000 2.223 442 N HA -0.082 4.658 4.740 0.000 0.000 0.185 442 N C 2.200 177.859 175.510 0.248 0.000 1.016 442 N CA 1.385 54.617 53.050 0.303 0.000 0.863 442 N CB -0.112 38.486 38.487 0.185 0.000 0.983 442 N HN 0.292 nan 8.380 nan 0.000 0.429 443 T N 0.928 115.568 114.554 0.143 0.000 2.857 443 T HA 0.038 4.388 4.350 0.000 0.000 0.266 443 T C 1.960 176.712 174.700 0.088 0.000 1.048 443 T CA 0.564 62.728 62.100 0.107 0.000 1.139 443 T CB -0.051 68.863 68.868 0.077 0.000 0.874 443 T HN 0.160 nan 8.240 nan 0.000 0.455 444 I N 0.914 121.533 120.570 0.082 0.000 2.179 444 I HA -0.143 4.027 4.170 0.000 0.000 0.242 444 I C 2.184 178.312 176.117 0.017 0.000 1.088 444 I CA 0.926 62.262 61.300 0.061 0.000 1.357 444 I CB -0.328 37.710 38.000 0.063 0.000 1.051 444 I HN 0.162 nan 8.210 nan 0.000 0.409 445 I N 0.453 121.019 120.570 -0.007 0.000 2.142 445 I HA -0.271 3.899 4.170 0.000 0.000 0.240 445 I C 2.672 178.671 176.117 -0.197 0.000 1.078 445 I CA 1.494 62.693 61.300 -0.168 0.000 1.343 445 I CB -1.283 36.541 38.000 -0.292 0.000 1.046 445 I HN 0.215 nan 8.210 nan 0.000 0.405 446 R N 1.371 121.853 120.500 -0.030 0.000 2.091 446 R HA -0.183 4.158 4.340 0.000 0.000 0.238 446 R C 2.154 178.433 176.300 -0.035 0.000 1.136 446 R CA 1.563 57.673 56.100 0.018 0.000 0.959 446 R CB -0.392 29.994 30.300 0.143 0.000 0.856 446 R HN 0.446 nan 8.270 nan 0.000 0.437 447 E N -0.760 119.437 120.200 -0.004 0.000 2.077 447 E HA -0.173 4.177 4.350 0.000 0.000 0.193 447 E C 1.913 178.474 176.600 -0.065 0.000 0.989 447 E CA 1.290 57.705 56.400 0.025 0.000 0.800 447 E CB -0.221 29.534 29.700 0.092 0.000 0.746 447 E HN 0.458 nan 8.360 nan 0.000 0.452 448 A N 1.302 124.005 122.820 -0.195 0.000 1.933 448 A HA -0.200 4.120 4.320 0.000 0.000 0.218 448 A C 2.452 179.485 177.584 -0.918 0.000 1.175 448 A CA 2.052 53.698 52.037 -0.652 0.000 0.628 448 A CB -1.167 17.542 19.000 -0.485 0.000 0.814 448 A HN 0.419 nan 8.150 nan 0.000 0.444 449 T N -2.099 112.153 114.554 -0.504 0.000 2.897 449 T HA -0.136 4.214 4.350 0.000 0.000 0.271 449 T C 1.629 176.151 174.700 -0.296 0.000 1.084 449 T CA 1.433 63.297 62.100 -0.394 0.000 1.123 449 T CB -0.261 68.458 68.868 -0.247 0.000 0.865 449 T HN 0.347 nan 8.240 nan 0.000 0.496 450 K N 0.840 121.099 120.400 -0.234 0.000 2.211 450 K HA -0.010 4.310 4.320 0.000 0.000 0.203 450 K C 1.923 178.535 176.600 0.021 0.000 1.050 450 K CA 1.212 57.464 56.287 -0.058 0.000 0.945 450 K CB -0.284 32.244 32.500 0.046 0.000 0.732 450 K HN 0.882 nan 8.250 nan 0.000 0.451 451 W N -0.614 120.683 121.300 -0.005 0.000 2.870 451 W HA 0.363 5.023 4.660 0.000 0.000 0.358 451 W C -0.037 176.483 176.519 0.001 0.000 1.043 451 W CA -0.467 56.878 57.345 0.001 0.000 1.692 451 W CB 0.039 29.499 29.460 -0.001 0.000 1.100 451 W HN -0.157 nan 8.180 nan 0.000 0.557 452 S N 2.547 118.000 115.700 -0.411 0.000 2.622 452 S HA 0.400 4.870 4.470 0.000 0.000 0.283 452 S C -1.688 172.788 174.600 -0.206 0.000 1.197 452 S CA -1.232 56.778 58.200 -0.317 0.000 1.146 452 S CB 1.381 64.142 63.200 -0.731 0.000 1.007 452 S HN -0.316 nan 8.310 nan 0.000 0.478 453 P HA -0.110 nan 4.420 nan 0.000 0.216 453 P C 0.926 178.129 177.300 -0.162 0.000 1.150 453 P CA 1.181 64.305 63.100 0.040 0.000 0.843 453 P CB 0.221 32.093 31.700 0.287 0.000 0.787 454 E N -0.853 119.260 120.200 -0.144 0.000 2.077 454 E HA -0.161 4.189 4.350 0.000 0.000 0.193 454 E C 1.846 178.291 176.600 -0.258 0.000 0.989 454 E CA 0.846 57.073 56.400 -0.288 0.000 0.800 454 E CB -1.200 28.408 29.700 -0.154 0.000 0.746 454 E HN 0.129 nan 8.360 nan 0.000 0.452 455 L N 0.447 121.503 121.223 -0.278 0.000 2.056 455 L HA -0.003 4.337 4.340 0.000 0.000 0.207 455 L C 2.052 178.723 176.870 -0.331 0.000 1.078 455 L CA 1.935 56.588 54.840 -0.311 0.000 0.749 455 L CB -0.908 40.907 42.059 -0.407 0.000 0.901 455 L HN 0.107 nan 8.230 nan 0.000 0.433 456 A N -0.123 122.507 122.820 -0.315 0.000 1.892 456 A HA -0.230 4.090 4.320 0.000 0.000 0.218 456 A C 2.478 179.889 177.584 -0.288 0.000 1.188 456 A CA 2.341 54.224 52.037 -0.257 0.000 0.631 456 A CB -1.349 17.545 19.000 -0.177 0.000 0.822 456 A HN 0.606 nan 8.150 nan 0.000 0.447 457 A N -0.436 122.126 122.820 -0.431 0.000 1.902 457 A HA 0.156 4.476 4.320 0.000 0.000 0.217 457 A C 2.517 179.712 177.584 -0.648 0.000 1.181 457 A CA 2.211 53.890 52.037 -0.598 0.000 0.623 457 A CB -1.017 17.317 19.000 -1.109 0.000 0.818 457 A HN 1.129 nan 8.150 nan 0.000 0.443 458 A N -1.098 121.375 122.820 -0.579 0.000 1.902 458 A HA -0.162 4.158 4.320 0.000 0.000 0.217 458 A C 2.309 179.752 177.584 -0.236 0.000 1.181 458 A CA 1.629 53.400 52.037 -0.443 0.000 0.623 458 A CB -1.283 17.708 19.000 -0.014 0.000 0.818 458 A HN 0.585 nan 8.150 nan 0.000 0.443 459 C N -0.581 118.589 119.300 -0.217 0.000 2.429 459 C HA -0.104 4.356 4.460 0.000 0.000 0.277 459 C C 2.657 177.742 174.990 0.160 0.000 1.262 459 C CA 1.204 60.188 59.018 -0.057 0.000 1.733 459 C CB -1.313 26.276 27.740 -0.251 0.000 2.010 459 C HN 0.694 nan 8.230 nan 0.000 0.483 460 E N 0.235 120.391 120.200 -0.074 0.000 2.033 460 E HA -0.215 4.135 4.350 0.000 0.000 0.199 460 E C 2.097 178.591 176.600 -0.177 0.000 1.011 460 E CA 1.718 58.058 56.400 -0.101 0.000 0.815 460 E CB -0.266 29.327 29.700 -0.179 0.000 0.755 460 E HN 0.476 nan 8.360 nan 0.000 0.451 461 V N 0.171 119.842 119.914 -0.405 0.000 2.407 461 V HA -0.202 3.918 4.120 0.000 0.000 0.248 461 V C 1.369 177.133 176.094 -0.550 0.000 1.055 461 V CA 1.315 63.225 62.300 -0.650 0.000 1.049 461 V CB -0.337 30.735 31.823 -1.252 0.000 0.662 461 V HN 0.435 nan 8.190 nan 0.000 0.455 462 W N -0.431 120.815 121.300 -0.090 0.000 2.991 462 W HA 0.340 5.000 4.660 0.000 0.000 0.391 462 W C 1.830 178.298 176.519 -0.085 0.000 1.054 462 W CA -0.887 56.336 57.345 -0.202 0.000 1.856 462 W CB -0.295 28.808 29.460 -0.594 0.000 1.132 462 W HN 0.267 nan 8.180 nan 0.000 0.601 463 K N 1.454 121.968 120.400 0.190 0.000 2.097 463 K HA -0.227 4.093 4.320 0.000 0.000 0.214 463 K C 0.737 177.154 176.600 -0.306 0.000 1.052 463 K CA 1.792 57.991 56.287 -0.146 0.000 0.932 463 K CB 0.239 32.676 32.500 -0.105 0.000 0.716 463 K HN -0.076 nan 8.250 nan 0.000 0.455 464 E N 0.527 120.637 120.200 -0.149 0.000 2.585 464 E HA 0.107 4.458 4.350 0.000 0.000 0.206 464 E C -0.523 176.020 176.600 -0.095 0.000 1.007 464 E CA -0.113 56.196 56.400 -0.151 0.000 1.028 464 E CB 0.529 30.145 29.700 -0.139 0.000 1.087 464 E HN 0.206 nan 8.360 nan 0.000 0.455 465 I N 1.781 122.332 120.570 -0.032 0.000 2.301 465 I HA 0.222 4.392 4.170 0.000 0.000 0.292 465 I C 0.242 176.347 176.117 -0.020 0.000 1.046 465 I CA -0.357 60.922 61.300 -0.034 0.000 1.282 465 I CB 0.273 38.309 38.000 0.060 0.000 1.409 465 I HN -0.249 nan 8.210 nan 0.000 0.484 466 K N 5.601 125.868 120.400 -0.222 0.000 2.400 466 K HA 0.687 5.007 4.320 0.000 0.000 0.246 466 K C -1.237 175.098 176.600 -0.443 0.000 0.995 466 K CA -0.366 55.837 56.287 -0.140 0.000 0.840 466 K CB 2.035 34.499 32.500 -0.060 0.000 1.293 466 K HN 0.175 nan 8.250 nan 0.000 0.445 467 F N 1.053 121.121 119.950 0.196 0.000 2.610 467 F HA 0.350 4.877 4.527 0.000 0.000 0.355 467 F C -0.688 175.220 175.800 0.181 0.000 1.140 467 F CA -0.475 57.662 58.000 0.228 0.000 1.037 467 F CB 1.682 40.824 39.000 0.236 0.000 1.287 467 F HN 0.313 nan 8.300 nan 0.000 0.457 468 E N 3.650 123.936 120.200 0.144 0.000 2.373 468 E HA 0.494 4.844 4.350 0.000 0.000 0.251 468 E C -1.297 175.213 176.600 -0.150 0.000 0.923 468 E CA -0.359 56.074 56.400 0.054 0.000 0.798 468 E CB 1.694 31.380 29.700 -0.024 0.000 1.303 468 E HN 0.302 nan 8.360 nan 0.000 0.412 469 F N 1.160 121.162 119.950 0.088 0.000 2.631 469 F HA 0.548 5.075 4.527 0.000 0.000 0.328 469 F C -1.922 173.911 175.800 0.056 0.000 1.067 469 F CA -2.222 55.819 58.000 0.068 0.000 0.969 469 F CB 0.802 39.847 39.000 0.075 0.000 1.332 469 F HN 0.217 nan 8.300 nan 0.000 0.490 470 P HA 0.437 nan 4.420 nan 0.000 0.281 470 P C -1.197 176.191 177.300 0.147 0.000 1.252 470 P CA -0.414 62.778 63.100 0.154 0.000 0.778 470 P CB 0.758 32.532 31.700 0.124 0.000 0.895 471 A N 3.007 125.895 122.820 0.114 0.000 2.371 471 A HA 0.295 4.615 4.320 0.000 0.000 0.257 471 A C 1.104 178.738 177.584 0.082 0.000 1.089 471 A CA -0.243 51.854 52.037 0.099 0.000 0.794 471 A CB 0.176 19.234 19.000 0.096 0.000 1.029 471 A HN 0.493 nan 8.150 nan 0.000 0.488 472 M N 0.360 120.002 119.600 0.071 0.000 2.394 472 M HA 0.080 4.560 4.480 0.000 0.000 0.266 472 M C 0.123 176.469 176.300 0.076 0.000 1.098 472 M CA 0.904 56.242 55.300 0.062 0.000 1.149 472 M CB -1.029 31.596 32.600 0.041 0.000 1.369 472 M HN 0.808 nan 8.290 nan 0.000 0.450 473 D N 1.652 122.108 120.400 0.094 0.000 2.440 473 D HA 0.348 4.988 4.640 0.000 0.000 0.239 473 D C -0.637 175.750 176.300 0.145 0.000 1.084 473 D CA -0.080 53.997 54.000 0.129 0.000 0.843 473 D CB 1.300 42.191 40.800 0.151 0.000 1.097 473 D HN 0.149 nan 8.370 nan 0.000 0.531 474 T N -0.356 114.274 114.554 0.127 0.000 2.883 474 T HA 0.624 4.975 4.350 0.000 0.000 0.284 474 T C 0.361 175.126 174.700 0.108 0.000 1.041 474 T CA -0.810 61.355 62.100 0.109 0.000 1.007 474 T CB 0.744 69.658 68.868 0.078 0.000 1.220 474 T HN 0.090 nan 8.240 nan 0.000 0.552 475 V N 0.000 119.960 119.914 0.077 0.000 2.409 475 V HA 0.000 4.120 4.120 0.000 0.000 0.244 475 V CA 0.000 62.333 62.300 0.056 0.000 1.235 475 V CB 0.000 31.834 31.823 0.018 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556