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 2vb8_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.014 0.000 1.140 1 M CA 0.000 nan 55.300 nan 0.000 0.988 1 M CB 0.000 nan 32.600 nan 0.000 1.302 2 K N 1.824 122.231 120.400 0.011 0.000 2.436 2 K HA 0.510 4.830 4.320 -0.000 0.000 0.275 2 K C -0.351 176.252 176.600 0.006 0.000 0.999 2 K CA -0.002 56.289 56.287 0.007 0.000 0.980 2 K CB 0.309 32.811 32.500 0.003 0.000 0.919 2 K HN 0.711 nan 8.250 nan 0.000 0.484 3 R N 0.394 120.896 120.500 0.003 0.000 2.540 3 R HA 0.536 4.876 4.340 -0.000 0.000 0.287 3 R C -0.474 175.820 176.300 -0.010 0.000 0.980 3 R CA -0.647 55.453 56.100 0.000 0.000 0.966 3 R CB 1.665 31.966 30.300 0.001 0.000 1.106 3 R HN 0.650 nan 8.270 nan 0.000 0.480 4 A N 2.155 124.965 122.820 -0.015 0.000 2.343 4 A HA 0.630 4.950 4.320 -0.000 0.000 0.316 4 A C -0.496 177.068 177.584 -0.033 0.000 1.104 4 A CA -0.690 51.327 52.037 -0.033 0.000 0.768 4 A CB 1.150 20.123 19.000 -0.044 0.000 1.213 4 A HN 0.518 nan 8.150 nan 0.000 0.456 5 V N 0.084 119.973 119.914 -0.041 0.000 2.960 5 V HA 0.727 4.847 4.120 -0.000 0.000 0.315 5 V C -0.606 175.463 176.094 -0.042 0.000 1.087 5 V CA -1.067 61.212 62.300 -0.035 0.000 0.982 5 V CB 1.760 33.564 31.823 -0.032 0.000 1.039 5 V HN 0.621 nan 8.190 nan 0.000 0.437 6 I N 3.059 123.618 120.570 -0.017 0.000 2.321 6 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 6 I C 1.078 177.254 176.117 0.098 0.000 0.998 6 I CA 0.168 61.468 61.300 0.000 0.000 1.227 6 I CB 1.217 39.202 38.000 -0.024 0.000 1.368 6 I HN 1.046 nan 8.210 nan 0.000 0.466 7 T N 1.084 115.687 114.554 0.081 0.000 3.040 7 T HA 0.487 4.837 4.350 -0.000 0.000 0.266 7 T C 0.514 175.356 174.700 0.236 0.000 1.005 7 T CA -0.271 61.897 62.100 0.114 0.000 0.906 7 T CB 0.537 69.420 68.868 0.024 0.000 1.082 7 T HN 0.767 nan 8.240 nan 0.000 0.531 8 G N 1.356 110.303 108.800 0.246 0.000 2.616 8 G HA2 0.551 4.511 3.960 -0.000 0.000 0.294 8 G HA3 0.551 4.511 3.960 -0.000 0.000 0.294 8 G C -2.077 172.852 174.900 0.048 0.000 1.489 8 G CA -0.884 44.366 45.100 0.249 0.000 0.836 8 G HN 0.659 nan 8.290 nan 0.000 0.527 9 L N -1.245 119.983 121.223 0.007 0.000 2.469 9 L HA 1.073 5.412 4.340 -0.000 0.000 0.256 9 L C -0.013 176.826 176.870 -0.051 0.000 1.006 9 L CA -0.863 53.912 54.840 -0.108 0.000 0.832 9 L CB 1.808 43.697 42.059 -0.284 0.000 1.421 9 L HN 1.341 nan 8.230 nan 0.000 0.410 10 G N 0.457 109.215 108.800 -0.069 0.000 2.733 10 G HA2 0.760 4.720 3.960 -0.000 0.000 0.297 10 G HA3 0.760 4.720 3.960 -0.000 0.000 0.297 10 G C -2.129 172.740 174.900 -0.051 0.000 1.422 10 G CA -0.613 44.460 45.100 -0.045 0.000 0.942 10 G HN 1.011 nan 8.290 nan 0.000 0.510 11 I N 0.580 121.134 120.570 -0.028 0.000 2.787 11 I HA 0.584 4.753 4.170 -0.000 0.000 0.294 11 I C -1.534 174.573 176.117 -0.017 0.000 1.365 11 I CA -0.889 60.392 61.300 -0.032 0.000 1.029 11 I CB 2.301 40.283 38.000 -0.031 0.000 1.313 11 I HN 0.367 nan 8.210 nan 0.000 0.431 12 V N 6.381 126.272 119.914 -0.040 0.000 2.419 12 V HA 0.617 4.737 4.120 -0.000 0.000 0.287 12 V C -0.337 175.663 176.094 -0.157 0.000 1.017 12 V CA -0.240 62.011 62.300 -0.082 0.000 0.844 12 V CB 1.427 33.209 31.823 -0.068 0.000 1.011 12 V HN 0.801 nan 8.190 nan 0.000 0.429 13 S N 2.278 117.911 115.700 -0.111 0.000 2.661 13 S HA 0.447 4.917 4.470 -0.000 0.000 0.285 13 S C 1.127 175.668 174.600 -0.099 0.000 1.138 13 S CA 0.090 58.239 58.200 -0.085 0.000 0.855 13 S CB 1.875 65.113 63.200 0.063 0.000 1.136 13 S HN 0.942 nan 8.310 nan 0.000 0.484 14 S N 0.690 116.338 115.700 -0.085 0.000 2.440 14 S HA -0.128 4.342 4.470 -0.000 0.000 0.238 14 S C 1.436 176.009 174.600 -0.045 0.000 1.010 14 S CA 1.226 59.380 58.200 -0.076 0.000 0.972 14 S CB -1.159 62.009 63.200 -0.053 0.000 0.774 14 S HN 1.103 nan 8.310 nan 0.000 0.501 15 I N -2.563 117.987 120.570 -0.033 0.000 3.941 15 I HA 0.677 4.847 4.170 -0.000 0.000 0.335 15 I C 0.579 176.677 176.117 -0.031 0.000 1.402 15 I CA -0.331 60.942 61.300 -0.044 0.000 1.112 15 I CB 0.185 38.129 38.000 -0.093 0.000 1.043 15 I HN 0.318 nan 8.210 nan 0.000 0.395 16 G N 1.027 109.815 108.800 -0.020 0.000 2.368 16 G HA2 0.021 3.980 3.960 -0.000 0.000 0.303 16 G HA3 0.021 3.980 3.960 -0.000 0.000 0.303 16 G C -0.840 174.052 174.900 -0.013 0.000 1.590 16 G CA -0.648 44.444 45.100 -0.014 0.000 0.938 16 G HN -0.005 nan 8.290 nan 0.000 0.675 17 N N 0.122 118.815 118.700 -0.011 0.000 2.336 17 N HA 0.117 4.857 4.740 -0.000 0.000 0.189 17 N C 0.399 175.913 175.510 0.007 0.000 1.113 17 N CA 0.756 53.801 53.050 -0.008 0.000 0.858 17 N CB 0.220 38.706 38.487 -0.001 0.000 0.970 17 N HN 0.825 nan 8.380 nan 0.000 0.471 18 N N -1.694 117.013 118.700 0.011 0.000 3.227 18 N HA -0.030 4.710 4.740 -0.000 0.000 0.241 18 N C 0.263 175.788 175.510 0.025 0.000 1.480 18 N CA -0.646 52.415 53.050 0.018 0.000 0.886 18 N CB 0.430 38.928 38.487 0.019 0.000 1.406 18 N HN -0.143 nan 8.380 nan 0.000 0.514 19 Q N -1.124 118.696 119.800 0.034 0.000 2.297 19 Q HA -0.124 4.215 4.340 -0.000 0.000 0.204 19 Q C 1.451 177.467 176.000 0.026 0.000 0.962 19 Q CA 1.271 57.103 55.803 0.049 0.000 0.879 19 Q CB -0.083 28.699 28.738 0.074 0.000 0.947 19 Q HN 0.739 nan 8.270 nan 0.000 0.462 20 Q N 1.125 120.932 119.800 0.011 0.000 2.046 20 Q HA -0.198 4.141 4.340 -0.000 0.000 0.200 20 Q C 1.740 177.719 176.000 -0.036 0.000 0.975 20 Q CA 1.791 57.582 55.803 -0.020 0.000 0.836 20 Q CB 0.100 28.831 28.738 -0.012 0.000 0.896 20 Q HN 0.588 nan 8.270 nan 0.000 0.428 21 E N -0.535 119.654 120.200 -0.018 0.000 2.072 21 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 21 E C 2.100 178.683 176.600 -0.028 0.000 0.985 21 E CA 1.319 57.704 56.400 -0.025 0.000 0.801 21 E CB 0.098 29.789 29.700 -0.015 0.000 0.750 21 E HN 0.195 nan 8.360 nan 0.000 0.452 22 V N 1.544 121.457 119.914 -0.002 0.000 2.343 22 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 22 V C 2.316 178.402 176.094 -0.013 0.000 1.051 22 V CA 1.403 63.710 62.300 0.011 0.000 1.036 22 V CB -0.383 31.503 31.823 0.105 0.000 0.654 22 V HN 0.235 nan 8.190 nan 0.000 0.451 23 L N 1.032 122.243 121.223 -0.020 0.000 2.012 23 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 23 L C 2.434 179.209 176.870 -0.159 0.000 1.073 23 L CA 2.534 57.326 54.840 -0.079 0.000 0.748 23 L CB -0.985 40.954 42.059 -0.200 0.000 0.891 23 L HN 0.224 nan 8.230 nan 0.000 0.431 24 A N -1.554 121.183 122.820 -0.139 0.000 1.902 24 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 24 A C 2.392 179.903 177.584 -0.120 0.000 1.181 24 A CA 1.978 53.929 52.037 -0.143 0.000 0.623 24 A CB -0.971 17.968 19.000 -0.102 0.000 0.818 24 A HN 0.542 nan 8.150 nan 0.000 0.443 25 S N -0.170 115.474 115.700 -0.092 0.000 2.368 25 S HA -0.077 4.392 4.470 -0.000 0.000 0.225 25 S C 1.834 176.380 174.600 -0.089 0.000 1.030 25 S CA 1.392 59.541 58.200 -0.085 0.000 0.999 25 S CB -0.449 62.700 63.200 -0.084 0.000 0.844 25 S HN 0.506 nan 8.310 nan 0.000 0.459 26 L N 0.860 122.035 121.223 -0.081 0.000 2.046 26 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 26 L C 2.699 179.591 176.870 0.037 0.000 1.077 26 L CA 1.302 56.139 54.840 -0.005 0.000 0.747 26 L CB -0.410 41.739 42.059 0.149 0.000 0.896 26 L HN 0.214 nan 8.230 nan 0.000 0.432 27 R N -0.565 119.852 120.500 -0.138 0.000 2.115 27 R HA -0.126 4.214 4.340 -0.000 0.000 0.230 27 R C 2.184 178.410 176.300 -0.122 0.000 1.111 27 R CA 1.337 57.284 56.100 -0.254 0.000 0.976 27 R CB -0.121 29.904 30.300 -0.459 0.000 0.870 27 R HN 0.216 nan 8.270 nan 0.000 0.445 28 E N -0.868 119.272 120.200 -0.099 0.000 2.442 28 E HA 0.075 4.425 4.350 -0.000 0.000 0.195 28 E C 0.990 177.564 176.600 -0.042 0.000 1.030 28 E CA 0.436 56.796 56.400 -0.068 0.000 0.869 28 E CB 0.614 30.274 29.700 -0.067 0.000 0.857 28 E HN 0.696 nan 8.360 nan 0.000 0.505 29 G N 2.025 110.803 108.800 -0.036 0.000 2.176 29 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.252 29 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.252 29 G C 0.295 175.174 174.900 -0.035 0.000 1.024 29 G CA 0.562 45.645 45.100 -0.027 0.000 0.755 29 G HN 0.429 nan 8.290 nan 0.000 0.507 30 R N 0.425 120.898 120.500 -0.045 0.000 2.347 30 R HA 0.492 4.832 4.340 -0.000 0.000 0.304 30 R C 0.784 177.060 176.300 -0.039 0.000 1.072 30 R CA 0.316 56.393 56.100 -0.038 0.000 0.980 30 R CB 0.502 30.777 30.300 -0.041 0.000 0.986 30 R HN 0.249 nan 8.270 nan 0.000 0.448 31 S N 2.328 118.015 115.700 -0.021 0.000 2.549 31 S HA 0.191 4.661 4.470 -0.000 0.000 0.279 31 S C 0.971 175.570 174.600 -0.001 0.000 1.321 31 S CA -0.149 58.045 58.200 -0.011 0.000 1.054 31 S CB 1.062 64.266 63.200 0.007 0.000 0.899 31 S HN 0.807 nan 8.310 nan 0.000 0.497 32 G N 4.238 113.037 108.800 -0.001 0.000 3.284 32 G HA2 0.231 4.190 3.960 -0.000 0.000 0.236 32 G HA3 0.231 4.190 3.960 -0.000 0.000 0.236 32 G C 0.110 175.041 174.900 0.051 0.000 1.158 32 G CA -0.219 44.887 45.100 0.010 0.000 0.774 32 G HN 0.601 nan 8.290 nan 0.000 0.545 33 I N 2.266 122.881 120.570 0.074 0.000 2.385 33 I HA 0.420 4.590 4.170 -0.000 0.000 0.294 33 I C 0.446 176.665 176.117 0.169 0.000 0.988 33 I CA -0.592 60.788 61.300 0.132 0.000 1.265 33 I CB 0.737 38.807 38.000 0.116 0.000 1.388 33 I HN 0.053 nan 8.210 nan 0.000 0.480 34 T N 2.438 117.150 114.554 0.263 0.000 2.896 34 T HA 0.521 4.871 4.350 -0.000 0.000 0.297 34 T C -0.500 174.358 174.700 0.264 0.000 1.108 34 T CA -0.729 61.536 62.100 0.275 0.000 1.004 34 T CB 1.740 70.790 68.868 0.305 0.000 1.159 34 T HN 0.221 nan 8.240 nan 0.000 0.499 35 F N 2.004 122.005 119.950 0.084 0.000 2.529 35 F HA 0.488 5.015 4.527 -0.000 0.000 0.365 35 F C 0.564 176.274 175.800 -0.149 0.000 1.102 35 F CA 0.099 58.090 58.000 -0.014 0.000 1.271 35 F CB 0.709 39.711 39.000 0.003 0.000 1.120 35 F HN 0.697 nan 8.300 nan 0.000 0.579 36 S N 4.996 119.888 115.700 -1.346 0.000 2.498 36 S HA 0.188 4.658 4.470 -0.000 0.000 0.324 36 S C 0.556 174.280 174.600 -1.460 0.000 1.071 36 S CA -0.694 56.611 58.200 -1.492 0.000 1.113 36 S CB 1.280 63.094 63.200 -2.310 0.000 0.976 36 S HN 0.894 nan 8.310 nan 0.000 0.462 37 Q N 3.459 122.756 119.800 -0.838 0.000 2.170 37 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 37 Q C 1.782 177.547 176.000 -0.390 0.000 0.976 37 Q CA 2.233 57.782 55.803 -0.423 0.000 0.858 37 Q CB -0.140 28.584 28.738 -0.022 0.000 0.907 37 Q HN 0.914 nan 8.270 nan 0.000 0.433 38 E N -0.437 119.527 120.200 -0.393 0.000 2.058 38 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 38 E C 1.788 178.209 176.600 -0.298 0.000 0.997 38 E CA 1.312 57.567 56.400 -0.241 0.000 0.801 38 E CB -0.189 29.490 29.700 -0.034 0.000 0.746 38 E HN 0.471 nan 8.360 nan 0.000 0.450 39 L N 0.617 121.543 121.223 -0.494 0.000 2.056 39 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 39 L C 2.877 179.565 176.870 -0.302 0.000 1.078 39 L CA 1.496 56.155 54.840 -0.301 0.000 0.749 39 L CB -0.501 41.359 42.059 -0.331 0.000 0.901 39 L HN 0.163 nan 8.230 nan 0.000 0.433 40 K N 0.278 120.371 120.400 -0.512 0.000 2.026 40 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 40 K C 1.639 178.013 176.600 -0.376 0.000 1.048 40 K CA 1.801 57.696 56.287 -0.653 0.000 0.929 40 K CB 0.015 32.071 32.500 -0.740 0.000 0.713 40 K HN 0.186 nan 8.250 nan 0.000 0.439 41 D N 0.184 120.398 120.400 -0.310 0.000 2.218 41 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 41 D C 1.847 177.964 176.300 -0.305 0.000 0.976 41 D CA 1.414 55.264 54.000 -0.251 0.000 0.853 41 D CB -0.096 40.577 40.800 -0.212 0.000 0.939 41 D HN 0.356 nan 8.370 nan 0.000 0.481 42 S N -0.913 114.568 115.700 -0.366 0.000 2.515 42 S HA 0.130 4.600 4.470 -0.000 0.000 0.231 42 S C 1.763 176.189 174.600 -0.290 0.000 0.987 42 S CA 0.931 58.833 58.200 -0.496 0.000 0.936 42 S CB 0.137 63.026 63.200 -0.517 0.000 0.766 42 S HN 0.313 nan 8.310 nan 0.000 0.528 43 G N 0.544 109.233 108.800 -0.185 0.000 2.157 43 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.239 43 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.239 43 G C 0.031 174.926 174.900 -0.008 0.000 0.982 43 G CA 0.143 45.188 45.100 -0.092 0.000 0.650 43 G HN 0.497 nan 8.290 nan 0.000 0.527 44 M N -0.482 119.127 119.600 0.015 0.000 2.207 44 M HA 0.361 4.841 4.480 -0.000 0.000 0.311 44 M C 1.905 178.316 176.300 0.185 0.000 1.127 44 M CA 0.208 55.565 55.300 0.096 0.000 1.181 44 M CB 0.435 33.101 32.600 0.110 0.000 1.409 44 M HN 0.180 nan 8.290 nan 0.000 0.461 45 R N -0.340 120.218 120.500 0.097 0.000 2.173 45 R HA 0.093 4.433 4.340 -0.000 0.000 0.208 45 R C 0.436 176.617 176.300 -0.199 0.000 1.035 45 R CA 0.218 56.313 56.100 -0.008 0.000 1.004 45 R CB 0.237 30.520 30.300 -0.029 0.000 0.917 45 R HN 0.557 nan 8.270 nan 0.000 0.462 46 S N 0.362 116.028 115.700 -0.057 0.000 2.452 46 S HA 0.131 4.601 4.470 -0.000 0.000 0.284 46 S C -0.146 174.475 174.600 0.035 0.000 1.171 46 S CA -0.558 57.593 58.200 -0.082 0.000 1.064 46 S CB 0.339 63.519 63.200 -0.035 0.000 0.967 46 S HN 0.340 nan 8.310 nan 0.000 0.484 47 H N 2.854 121.870 119.070 -0.089 0.000 2.510 47 H HA 0.351 4.906 4.556 -0.000 0.000 0.266 47 H C -0.180 174.938 175.328 -0.350 0.000 1.146 47 H CA -0.625 55.272 56.048 -0.253 0.000 0.993 47 H CB 0.543 30.227 29.762 -0.130 0.000 1.727 47 H HN 0.443 nan 8.280 nan 0.000 0.590 48 V N -1.657 118.204 119.914 -0.090 0.000 2.876 48 V HA 0.637 4.756 4.120 -0.000 0.000 0.312 48 V C -1.394 174.771 176.094 0.119 0.000 1.085 48 V CA -0.937 61.354 62.300 -0.015 0.000 0.945 48 V CB 2.152 34.037 31.823 0.103 0.000 1.017 48 V HN 0.398 nan 8.190 nan 0.000 0.428 49 W N 1.438 122.753 121.300 0.026 0.000 3.066 49 W HA 0.833 5.492 4.660 -0.000 0.000 0.330 49 W C -0.344 176.197 176.519 0.036 0.000 1.253 49 W CA -1.741 55.624 57.345 0.033 0.000 1.187 49 W CB 0.912 30.387 29.460 0.025 0.000 1.434 49 W HN 1.044 nan 8.180 nan 0.000 0.572 50 G N 3.508 112.426 108.800 0.195 0.000 2.741 50 G HA2 0.339 4.299 3.960 -0.000 0.000 0.336 50 G HA3 0.339 4.299 3.960 -0.000 0.000 0.336 50 G C -0.411 174.377 174.900 -0.187 0.000 1.022 50 G CA -0.665 44.452 45.100 0.029 0.000 1.193 50 G HN 0.573 nan 8.290 nan 0.000 0.455 51 N N 1.271 119.781 118.700 -0.317 0.000 2.524 51 N HA 0.206 4.946 4.740 -0.000 0.000 0.283 51 N C -0.203 175.134 175.510 -0.288 0.000 1.142 51 N CA -0.598 52.141 53.050 -0.518 0.000 0.984 51 N CB 1.977 40.050 38.487 -0.691 0.000 1.155 51 N HN -0.010 nan 8.380 nan 0.000 0.467 52 V N 1.554 121.278 119.914 -0.316 0.000 2.508 52 V HA 0.053 4.173 4.120 -0.000 0.000 0.281 52 V C 0.665 176.680 176.094 -0.132 0.000 1.041 52 V CA -0.189 61.955 62.300 -0.259 0.000 1.016 52 V CB -0.006 31.550 31.823 -0.446 0.000 0.984 52 V HN 0.615 nan 8.190 nan 0.000 0.478 53 K N 5.463 125.814 120.400 -0.082 0.000 2.403 53 K HA 0.547 4.867 4.320 -0.000 0.000 0.235 53 K C -0.946 175.649 176.600 -0.009 0.000 1.142 53 K CA -0.202 56.069 56.287 -0.026 0.000 1.114 53 K CB 0.434 32.928 32.500 -0.010 0.000 1.777 53 K HN 0.422 nan 8.250 nan 0.000 0.424 54 L N 0.590 121.816 121.223 0.006 0.000 2.526 54 L HA 0.334 4.673 4.340 -0.000 0.000 0.263 54 L C -1.793 175.105 176.870 0.047 0.000 0.943 54 L CA -0.559 54.296 54.840 0.026 0.000 0.859 54 L CB 1.936 44.014 42.059 0.031 0.000 1.313 54 L HN 0.157 nan 8.230 nan 0.000 0.406 55 D N 2.152 122.577 120.400 0.041 0.000 2.339 55 D HA 0.234 4.873 4.640 -0.000 0.000 0.241 55 D C 0.853 177.179 176.300 0.043 0.000 1.183 55 D CA 0.378 54.403 54.000 0.041 0.000 0.859 55 D CB 1.433 42.252 40.800 0.031 0.000 1.067 55 D HN 0.709 nan 8.370 nan 0.000 0.484 56 T N -0.112 114.472 114.554 0.049 0.000 3.129 56 T HA 0.049 4.398 4.350 -0.000 0.000 0.251 56 T C 0.774 175.477 174.700 0.006 0.000 1.117 56 T CA -0.287 61.839 62.100 0.044 0.000 1.034 56 T CB -0.331 68.572 68.868 0.058 0.000 0.968 56 T HN 0.216 nan 8.240 nan 0.000 0.526 57 T N 2.429 116.985 114.554 0.002 0.000 2.867 57 T HA 0.426 4.776 4.350 -0.000 0.000 0.297 57 T C 1.519 176.208 174.700 -0.019 0.000 0.989 57 T CA 0.743 62.833 62.100 -0.017 0.000 1.159 57 T CB 0.217 69.079 68.868 -0.010 0.000 0.928 57 T HN 0.713 nan 8.240 nan 0.000 0.538 58 G N 2.592 111.369 108.800 -0.039 0.000 2.184 58 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.264 58 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.264 58 G C 0.799 175.682 174.900 -0.028 0.000 0.975 58 G CA 0.254 45.331 45.100 -0.037 0.000 0.642 58 G HN 0.691 nan 8.290 nan 0.000 0.536 59 L N -0.356 120.854 121.223 -0.021 0.000 2.492 59 L HA 0.398 4.738 4.340 -0.000 0.000 0.223 59 L C 1.111 177.981 176.870 -0.000 0.000 1.132 59 L CA 0.618 55.465 54.840 0.012 0.000 0.850 59 L CB 0.014 42.101 42.059 0.046 0.000 0.966 59 L HN 0.286 nan 8.230 nan 0.000 0.454 60 I N -0.865 119.650 120.570 -0.091 0.000 2.545 60 I HA 0.167 4.337 4.170 -0.000 0.000 0.292 60 I C -0.469 175.531 176.117 -0.195 0.000 1.040 60 I CA -1.007 60.167 61.300 -0.210 0.000 1.068 60 I CB 2.198 39.922 38.000 -0.461 0.000 1.251 60 I HN -0.172 nan 8.210 nan 0.000 0.424 61 D N 4.623 124.916 120.400 -0.178 0.000 2.533 61 D HA -0.080 4.560 4.640 -0.000 0.000 0.236 61 D C 1.346 177.542 176.300 -0.173 0.000 1.137 61 D CA 0.523 54.441 54.000 -0.137 0.000 0.867 61 D CB 1.018 41.756 40.800 -0.104 0.000 1.170 61 D HN 0.541 nan 8.370 nan 0.000 0.474 62 R N 2.518 122.930 120.500 -0.147 0.000 2.119 62 R HA -0.213 4.127 4.340 -0.000 0.000 0.246 62 R C 1.686 177.856 176.300 -0.216 0.000 1.146 62 R CA 1.647 57.639 56.100 -0.180 0.000 0.962 62 R CB 0.021 30.235 30.300 -0.144 0.000 0.863 62 R HN 0.288 nan 8.270 nan 0.000 0.442 63 K N -0.562 119.749 120.400 -0.148 0.000 2.365 63 K HA 0.018 4.338 4.320 -0.000 0.000 0.199 63 K C 1.808 178.380 176.600 -0.046 0.000 1.045 63 K CA 1.016 57.236 56.287 -0.110 0.000 0.962 63 K CB 0.004 32.490 32.500 -0.025 0.000 0.759 63 K HN 0.207 nan 8.250 nan 0.000 0.469 64 V N -0.827 119.027 119.914 -0.101 0.000 2.492 64 V HA 0.016 4.136 4.120 -0.000 0.000 0.241 64 V C 2.026 178.030 176.094 -0.150 0.000 1.041 64 V CA 1.189 63.441 62.300 -0.081 0.000 1.057 64 V CB 0.127 31.808 31.823 -0.236 0.000 0.711 64 V HN 0.271 nan 8.190 nan 0.000 0.468 65 V N 2.252 121.996 119.914 -0.284 0.000 2.970 65 V HA -0.148 3.972 4.120 -0.000 0.000 0.260 65 V C 2.728 178.605 176.094 -0.362 0.000 1.100 65 V CA 1.805 63.914 62.300 -0.318 0.000 1.122 65 V CB -0.642 30.992 31.823 -0.314 0.000 0.721 65 V HN 0.695 nan 8.190 nan 0.000 0.483 66 R N -0.983 119.217 120.500 -0.500 0.000 2.200 66 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 66 R C 1.712 177.496 176.300 -0.860 0.000 1.127 66 R CA 1.999 57.596 56.100 -0.839 0.000 0.989 66 R CB -0.687 28.861 30.300 -1.254 0.000 0.869 66 R HN 0.489 nan 8.270 nan 0.000 0.459 67 F N 0.811 120.555 119.950 -0.344 0.000 2.765 67 F HA 0.343 4.870 4.527 -0.000 0.000 0.302 67 F C 0.942 176.605 175.800 -0.229 0.000 1.111 67 F CA 0.062 57.946 58.000 -0.194 0.000 1.359 67 F CB 0.158 39.102 39.000 -0.094 0.000 1.097 67 F HN -0.105 nan 8.300 nan 0.000 0.577 68 M N -0.164 119.337 119.600 -0.165 0.000 2.363 68 M HA 0.314 4.794 4.480 -0.000 0.000 0.343 68 M C 0.450 176.560 176.300 -0.316 0.000 1.165 68 M CA -0.612 54.577 55.300 -0.185 0.000 1.046 68 M CB 1.764 34.252 32.600 -0.187 0.000 1.648 68 M HN 0.000 nan 8.290 nan 0.000 0.452 69 S N 0.099 115.662 115.700 -0.228 0.000 2.738 69 S HA 0.320 4.790 4.470 -0.000 0.000 0.284 69 S C 0.366 174.885 174.600 -0.135 0.000 1.146 69 S CA -0.764 57.352 58.200 -0.141 0.000 0.997 69 S CB 0.974 64.189 63.200 0.024 0.000 1.081 69 S HN 0.660 nan 8.310 nan 0.000 0.553 70 D N 0.999 121.325 120.400 -0.124 0.000 2.144 70 D HA -0.031 4.609 4.640 -0.000 0.000 0.199 70 D C 2.208 178.185 176.300 -0.539 0.000 0.984 70 D CA 1.735 55.474 54.000 -0.434 0.000 0.834 70 D CB -0.914 39.609 40.800 -0.461 0.000 0.955 70 D HN 0.670 nan 8.370 nan 0.000 0.465 71 A N 0.559 123.259 122.820 -0.200 0.000 1.908 71 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 71 A C 2.453 180.023 177.584 -0.023 0.000 1.181 71 A CA 2.059 54.073 52.037 -0.039 0.000 0.627 71 A CB -0.582 18.442 19.000 0.039 0.000 0.818 71 A HN 0.186 nan 8.150 nan 0.000 0.445 72 S N -0.407 115.266 115.700 -0.046 0.000 2.383 72 S HA -0.045 4.425 4.470 -0.000 0.000 0.227 72 S C 1.789 176.403 174.600 0.025 0.000 1.026 72 S CA 1.218 59.425 58.200 0.012 0.000 0.981 72 S CB -0.450 62.747 63.200 -0.005 0.000 0.818 72 S HN 0.536 nan 8.310 nan 0.000 0.472 73 I N 0.579 121.082 120.570 -0.111 0.000 2.163 73 I HA -0.233 3.937 4.170 -0.000 0.000 0.243 73 I C 2.070 178.241 176.117 0.089 0.000 1.085 73 I CA 1.382 62.630 61.300 -0.085 0.000 1.347 73 I CB -0.442 37.419 38.000 -0.232 0.000 1.044 73 I HN 0.258 nan 8.210 nan 0.000 0.408 74 Y N 0.759 121.099 120.300 0.067 0.000 2.181 74 Y HA -0.204 4.346 4.550 -0.000 0.000 0.288 74 Y C 2.633 178.576 175.900 0.071 0.000 1.146 74 Y CA 0.781 58.915 58.100 0.057 0.000 1.164 74 Y CB -1.402 37.071 38.460 0.021 0.000 0.982 74 Y HN 0.138 nan 8.280 nan 0.000 0.515 75 A N -0.464 122.494 122.820 0.230 0.000 1.898 75 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 75 A C 2.186 179.866 177.584 0.160 0.000 1.181 75 A CA 1.230 53.355 52.037 0.148 0.000 0.620 75 A CB -1.321 17.748 19.000 0.115 0.000 0.819 75 A HN 0.414 nan 8.150 nan 0.000 0.442 76 F N 0.811 120.815 119.950 0.089 0.000 2.095 76 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 76 F C 1.918 177.807 175.800 0.149 0.000 1.104 76 F CA 1.907 60.001 58.000 0.156 0.000 1.232 76 F CB -0.280 38.784 39.000 0.107 0.000 0.987 76 F HN 0.143 nan 8.300 nan 0.000 0.475 77 L N -0.717 120.729 121.223 0.372 0.000 2.083 77 L HA -0.236 4.103 4.340 -0.000 0.000 0.209 77 L C 2.500 179.409 176.870 0.065 0.000 1.083 77 L CA 1.411 56.386 54.840 0.226 0.000 0.752 77 L CB -0.969 41.227 42.059 0.229 0.000 0.899 77 L HN 0.090 nan 8.230 nan 0.000 0.433 78 S N -0.386 115.344 115.700 0.051 0.000 2.383 78 S HA -0.196 4.274 4.470 -0.000 0.000 0.227 78 S C 1.922 176.456 174.600 -0.110 0.000 1.026 78 S CA 1.519 59.709 58.200 -0.018 0.000 0.981 78 S CB -0.192 63.002 63.200 -0.009 0.000 0.818 78 S HN 0.375 nan 8.310 nan 0.000 0.472 79 M N 1.538 121.017 119.600 -0.201 0.000 2.175 79 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 79 M C 1.886 177.885 176.300 -0.501 0.000 1.063 79 M CA 1.418 56.446 55.300 -0.453 0.000 1.119 79 M CB -0.166 31.984 32.600 -0.751 0.000 1.377 79 M HN 0.206 nan 8.290 nan 0.000 0.415 80 E N 0.041 120.044 120.200 -0.329 0.000 2.070 80 E HA -0.283 4.067 4.350 -0.000 0.000 0.197 80 E C 2.046 178.579 176.600 -0.112 0.000 1.004 80 E CA 1.905 58.203 56.400 -0.169 0.000 0.805 80 E CB -0.257 29.422 29.700 -0.035 0.000 0.744 80 E HN 0.695 nan 8.360 nan 0.000 0.451 81 Q N 0.062 119.817 119.800 -0.074 0.000 2.084 81 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 81 Q C 2.203 178.181 176.000 -0.037 0.000 0.978 81 Q CA 1.326 57.111 55.803 -0.031 0.000 0.844 81 Q CB -0.151 28.580 28.738 -0.012 0.000 0.898 81 Q HN 0.240 nan 8.270 nan 0.000 0.426 82 A N 0.765 123.538 122.820 -0.079 0.000 1.930 82 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 82 A C 2.029 179.601 177.584 -0.019 0.000 1.175 82 A CA 0.984 52.998 52.037 -0.038 0.000 0.627 82 A CB -0.533 18.442 19.000 -0.043 0.000 0.815 82 A HN 0.288 nan 8.150 nan 0.000 0.443 83 I N -0.214 120.283 120.570 -0.122 0.000 2.179 83 I HA -0.290 3.879 4.170 -0.000 0.000 0.242 83 I C 2.975 179.085 176.117 -0.013 0.000 1.088 83 I CA 1.129 62.360 61.300 -0.115 0.000 1.357 83 I CB -0.304 37.491 38.000 -0.341 0.000 1.051 83 I HN 0.356 nan 8.210 nan 0.000 0.409 84 A N 0.201 123.017 122.820 -0.007 0.000 1.902 84 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 84 A C 2.005 179.615 177.584 0.044 0.000 1.181 84 A CA 2.259 54.314 52.037 0.029 0.000 0.623 84 A CB -0.709 18.307 19.000 0.027 0.000 0.818 84 A HN 0.434 nan 8.150 nan 0.000 0.443 85 D N -0.159 120.273 120.400 0.054 0.000 2.144 85 D HA -0.028 4.612 4.640 -0.000 0.000 0.199 85 D C 1.899 178.267 176.300 0.114 0.000 0.984 85 D CA 1.492 55.548 54.000 0.094 0.000 0.834 85 D CB -0.176 40.707 40.800 0.139 0.000 0.955 85 D HN 0.340 nan 8.370 nan 0.000 0.465 86 A N -0.722 122.159 122.820 0.103 0.000 2.119 86 A HA 0.340 4.659 4.320 -0.000 0.000 0.216 86 A C 1.866 179.498 177.584 0.079 0.000 1.152 86 A CA 1.232 53.330 52.037 0.100 0.000 0.708 86 A CB -0.584 18.459 19.000 0.071 0.000 0.805 86 A HN 0.494 nan 8.150 nan 0.000 0.460 87 G N -1.178 107.664 108.800 0.070 0.000 2.160 87 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.244 87 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.244 87 G C -0.069 174.884 174.900 0.088 0.000 1.022 87 G CA 0.303 45.442 45.100 0.065 0.000 0.741 87 G HN 0.458 nan 8.290 nan 0.000 0.508 88 L N 1.811 123.104 121.223 0.117 0.000 2.265 88 L HA 0.534 4.873 4.340 -0.000 0.000 0.288 88 L C 1.201 178.230 176.870 0.265 0.000 1.058 88 L CA -0.219 54.737 54.840 0.194 0.000 0.809 88 L CB 1.473 43.667 42.059 0.224 0.000 1.179 88 L HN 0.414 nan 8.230 nan 0.000 0.429 89 S N 2.558 118.390 115.700 0.220 0.000 2.632 89 S HA 0.391 4.861 4.470 -0.000 0.000 0.271 89 S C -1.966 172.710 174.600 0.128 0.000 1.260 89 S CA -1.297 57.004 58.200 0.169 0.000 1.010 89 S CB 1.380 64.626 63.200 0.078 0.000 0.965 89 S HN 0.364 nan 8.310 nan 0.000 0.534 90 P HA -0.076 nan 4.420 nan 0.000 0.218 90 P C 0.940 178.034 177.300 -0.343 0.000 1.148 90 P CA 1.140 63.992 63.100 -0.413 0.000 0.822 90 P CB -0.019 31.561 31.700 -0.200 0.000 0.784 91 E N -0.401 119.717 120.200 -0.138 0.000 2.160 91 E HA -0.153 4.196 4.350 -0.000 0.000 0.195 91 E C 2.085 178.642 176.600 -0.071 0.000 0.991 91 E CA 1.633 57.977 56.400 -0.093 0.000 0.810 91 E CB -0.944 28.734 29.700 -0.036 0.000 0.742 91 E HN 0.207 nan 8.360 nan 0.000 0.466 92 A N -0.048 122.761 122.820 -0.019 0.000 1.935 92 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 92 A C 1.903 179.547 177.584 0.100 0.000 1.178 92 A CA 1.335 53.414 52.037 0.070 0.000 0.640 92 A CB -0.427 18.660 19.000 0.145 0.000 0.825 92 A HN 0.501 nan 8.150 nan 0.000 0.447 93 Y N -1.304 119.039 120.300 0.072 0.000 2.444 93 Y HA 0.447 4.997 4.550 -0.000 0.000 0.252 93 Y C 0.717 176.652 175.900 0.058 0.000 1.091 93 Y CA -0.608 57.550 58.100 0.097 0.000 1.276 93 Y CB -0.224 38.362 38.460 0.210 0.000 1.170 93 Y HN 0.196 nan 8.280 nan 0.000 0.517 94 Q N 2.024 121.522 119.800 -0.505 0.000 2.259 94 Q HA 0.194 4.534 4.340 -0.000 0.000 0.246 94 Q C -0.220 175.601 176.000 -0.298 0.000 0.920 94 Q CA -0.364 55.218 55.803 -0.369 0.000 0.895 94 Q CB 0.544 29.012 28.738 -0.451 0.000 1.220 94 Q HN 0.446 nan 8.270 nan 0.000 0.439 95 N N 1.804 120.212 118.700 -0.486 0.000 2.727 95 N HA -0.214 4.526 4.740 -0.000 0.000 0.249 95 N C -0.997 174.287 175.510 -0.377 0.000 1.048 95 N CA 0.169 52.689 53.050 -0.884 0.000 0.714 95 N CB -0.579 37.644 38.487 -0.440 0.000 0.959 95 N HN 0.498 nan 8.380 nan 0.000 0.544 96 N N 0.441 119.023 118.700 -0.197 0.000 2.491 96 N HA 0.242 4.982 4.740 -0.000 0.000 0.274 96 N C -1.815 173.744 175.510 0.082 0.000 1.023 96 N CA -2.010 51.036 53.050 -0.008 0.000 0.902 96 N CB 1.414 39.907 38.487 0.009 0.000 1.267 96 N HN -0.100 nan 8.380 nan 0.000 0.503 97 P HA -0.044 nan 4.420 nan 0.000 0.225 97 P C 0.533 177.868 177.300 0.058 0.000 1.148 97 P CA 0.708 63.877 63.100 0.114 0.000 0.779 97 P CB 0.482 32.236 31.700 0.089 0.000 0.780 98 R N -0.324 120.192 120.500 0.028 0.000 2.310 98 R HA 0.213 4.553 4.340 -0.000 0.000 0.202 98 R C 0.197 176.466 176.300 -0.052 0.000 0.933 98 R CA -0.019 56.068 56.100 -0.021 0.000 1.054 98 R CB 0.037 30.309 30.300 -0.046 0.000 0.985 98 R HN 0.153 nan 8.270 nan 0.000 0.489 99 V N 0.174 120.089 119.914 0.002 0.000 2.487 99 V HA 0.652 4.772 4.120 -0.000 0.000 0.298 99 V C 0.443 176.571 176.094 0.058 0.000 1.028 99 V CA -0.791 61.513 62.300 0.008 0.000 0.860 99 V CB 1.774 33.657 31.823 0.100 0.000 0.991 99 V HN 0.282 nan 8.190 nan 0.000 0.427 100 G N 3.125 111.930 108.800 0.009 0.000 3.015 100 G HA2 0.835 4.795 3.960 -0.000 0.000 0.281 100 G HA3 0.835 4.795 3.960 -0.000 0.000 0.281 100 G C -1.822 173.108 174.900 0.050 0.000 1.386 100 G CA -0.772 44.335 45.100 0.012 0.000 0.959 100 G HN 0.707 nan 8.290 nan 0.000 0.522 101 L N -0.198 121.006 121.223 -0.030 0.000 2.505 101 L HA 0.705 5.045 4.340 -0.000 0.000 0.266 101 L C -1.521 175.254 176.870 -0.158 0.000 0.954 101 L CA -0.701 54.130 54.840 -0.015 0.000 0.852 101 L CB 1.742 43.818 42.059 0.027 0.000 1.282 101 L HN 0.440 nan 8.230 nan 0.000 0.403 102 I N 5.298 125.788 120.570 -0.133 0.000 2.476 102 I HA 0.758 4.928 4.170 -0.000 0.000 0.281 102 I C -0.559 175.535 176.117 -0.039 0.000 1.040 102 I CA -0.331 60.876 61.300 -0.154 0.000 1.094 102 I CB 1.749 39.642 38.000 -0.178 0.000 1.219 102 I HN 0.679 nan 8.210 nan 0.000 0.450 103 A N 4.271 127.092 122.820 0.002 0.000 2.547 103 A HA 0.957 5.277 4.320 -0.000 0.000 0.297 103 A C -0.720 176.896 177.584 0.053 0.000 1.056 103 A CA -0.443 51.608 52.037 0.022 0.000 0.688 103 A CB 1.906 20.913 19.000 0.013 0.000 1.282 103 A HN 0.761 nan 8.150 nan 0.000 0.400 104 G N -0.222 108.612 108.800 0.057 0.000 2.727 104 G HA2 0.818 4.778 3.960 -0.000 0.000 0.289 104 G HA3 0.818 4.778 3.960 -0.000 0.000 0.289 104 G C -0.584 174.354 174.900 0.065 0.000 1.418 104 G CA 0.157 45.299 45.100 0.070 0.000 0.818 104 G HN 1.859 nan 8.290 nan 0.000 0.486 105 S N -1.719 114.023 115.700 0.069 0.000 2.599 105 S HA 0.666 5.136 4.470 -0.000 0.000 0.287 105 S C 1.057 175.700 174.600 0.073 0.000 1.105 105 S CA 0.214 58.455 58.200 0.069 0.000 0.899 105 S CB 1.642 64.885 63.200 0.072 0.000 1.100 105 S HN 1.450 nan 8.310 nan 0.000 0.482 106 G N 0.211 109.053 108.800 0.071 0.000 2.403 106 G HA2 0.271 4.230 3.960 -0.000 0.000 0.216 106 G HA3 0.271 4.230 3.960 -0.000 0.000 0.216 106 G C 0.917 175.878 174.900 0.102 0.000 1.154 106 G CA 0.480 45.630 45.100 0.082 0.000 0.784 106 G HN 1.159 nan 8.290 nan 0.000 0.538 107 G N -1.293 107.570 108.800 0.105 0.000 3.228 107 G HA2 0.457 4.417 3.960 -0.000 0.000 0.245 107 G HA3 0.457 4.417 3.960 -0.000 0.000 0.245 107 G C 1.053 176.006 174.900 0.089 0.000 1.051 107 G CA 0.836 46.002 45.100 0.109 0.000 0.809 107 G HN 1.140 nan 8.290 nan 0.000 0.531 108 G N 0.324 109.173 108.800 0.082 0.000 2.543 108 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.286 108 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.286 108 G C 0.340 175.292 174.900 0.086 0.000 1.153 108 G CA 0.636 45.783 45.100 0.078 0.000 0.968 108 G HN 1.356 nan 8.290 nan 0.000 0.544 109 S N 1.573 117.333 115.700 0.100 0.000 2.279 109 S HA 0.648 5.118 4.470 -0.000 0.000 0.176 109 S C -1.329 173.329 174.600 0.096 0.000 1.554 109 S CA -0.001 58.275 58.200 0.126 0.000 1.242 109 S CB 1.676 65.015 63.200 0.232 0.000 1.163 109 S HN 0.301 nan 8.310 nan 0.000 0.449 110 P HA -0.098 nan 4.420 nan 0.000 0.218 110 P C 1.498 178.746 177.300 -0.087 0.000 1.148 110 P CA 0.634 63.721 63.100 -0.021 0.000 0.822 110 P CB 0.140 31.811 31.700 -0.048 0.000 0.784 111 R N -0.873 119.551 120.500 -0.127 0.000 2.083 111 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 111 R C 1.851 177.978 176.300 -0.288 0.000 1.137 111 R CA 1.738 57.673 56.100 -0.275 0.000 0.951 111 R CB -0.946 29.149 30.300 -0.342 0.000 0.851 111 R HN 0.076 nan 8.270 nan 0.000 0.434 112 F N 1.023 120.991 119.950 0.031 0.000 2.367 112 F HA -0.010 4.516 4.527 -0.000 0.000 0.298 112 F C 2.575 178.465 175.800 0.150 0.000 1.094 112 F CA 0.888 58.954 58.000 0.110 0.000 1.409 112 F CB -0.123 38.913 39.000 0.060 0.000 1.064 112 F HN 0.077 nan 8.300 nan 0.000 0.528 113 Q N -0.141 119.779 119.800 0.200 0.000 2.084 113 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 113 Q C 2.535 178.580 176.000 0.076 0.000 0.978 113 Q CA 1.580 57.461 55.803 0.129 0.000 0.844 113 Q CB -0.724 28.061 28.738 0.079 0.000 0.898 113 Q HN 0.302 nan 8.270 nan 0.000 0.426 114 V N 0.891 120.820 119.914 0.025 0.000 2.427 114 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 114 V C 2.014 178.120 176.094 0.019 0.000 1.051 114 V CA 1.532 63.828 62.300 -0.007 0.000 1.048 114 V CB -0.710 31.062 31.823 -0.085 0.000 0.666 114 V HN 0.251 nan 8.190 nan 0.000 0.456 115 F N 2.199 122.105 119.950 -0.073 0.000 2.095 115 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 115 F C 2.184 178.004 175.800 0.035 0.000 1.104 115 F CA 1.802 59.778 58.000 -0.041 0.000 1.232 115 F CB -0.943 37.993 39.000 -0.107 0.000 0.987 115 F HN 0.138 nan 8.300 nan 0.000 0.475 116 G N -0.121 108.669 108.800 -0.017 0.000 2.476 116 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.218 116 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.218 116 G C 1.807 176.607 174.900 -0.167 0.000 1.164 116 G CA 1.108 46.154 45.100 -0.089 0.000 0.768 116 G HN 0.660 nan 8.290 nan 0.000 0.560 117 A N 0.702 123.468 122.820 -0.091 0.000 1.898 117 A HA 0.014 4.333 4.320 -0.000 0.000 0.216 117 A C 2.114 179.635 177.584 -0.106 0.000 1.181 117 A CA 2.050 54.044 52.037 -0.071 0.000 0.620 117 A CB -0.351 18.634 19.000 -0.026 0.000 0.819 117 A HN 0.278 nan 8.150 nan 0.000 0.442 118 D N 0.263 120.581 120.400 -0.137 0.000 2.097 118 D HA -0.051 4.589 4.640 -0.000 0.000 0.195 118 D C 2.270 178.454 176.300 -0.193 0.000 0.989 118 D CA 1.626 55.551 54.000 -0.126 0.000 0.827 118 D CB -0.497 40.251 40.800 -0.087 0.000 0.966 118 D HN 0.392 nan 8.370 nan 0.000 0.456 119 A N 0.656 123.243 122.820 -0.387 0.000 1.883 119 A HA -0.196 4.123 4.320 -0.000 0.000 0.217 119 A C 2.157 179.625 177.584 -0.194 0.000 1.186 119 A CA 1.962 53.776 52.037 -0.371 0.000 0.624 119 A CB -0.602 17.982 19.000 -0.694 0.000 0.822 119 A HN 0.190 nan 8.150 nan 0.000 0.444 120 M N -0.221 119.277 119.600 -0.170 0.000 2.213 120 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 120 M C 1.865 178.126 176.300 -0.065 0.000 1.062 120 M CA 1.509 56.754 55.300 -0.093 0.000 1.105 120 M CB -0.386 32.172 32.600 -0.070 0.000 1.385 120 M HN 0.365 nan 8.290 nan 0.000 0.417 121 R N -0.098 120.362 120.500 -0.068 0.000 2.275 121 R HA 0.171 4.511 4.340 -0.000 0.000 0.199 121 R C 1.119 177.398 176.300 -0.035 0.000 0.989 121 R CA 0.365 56.440 56.100 -0.042 0.000 1.016 121 R CB -0.410 29.869 30.300 -0.034 0.000 0.918 121 R HN 0.478 nan 8.270 nan 0.000 0.473 122 G N 1.192 109.964 108.800 -0.045 0.000 2.621 122 G HA2 0.111 4.071 3.960 -0.000 0.000 0.271 122 G HA3 0.111 4.071 3.960 -0.000 0.000 0.271 122 G C -1.587 173.300 174.900 -0.022 0.000 1.236 122 G CA -0.993 44.089 45.100 -0.031 0.000 0.958 122 G HN -0.063 nan 8.290 nan 0.000 0.512 123 P HA -0.011 nan 4.420 nan 0.000 0.226 123 P C 1.327 178.623 177.300 -0.008 0.000 1.153 123 P CA 0.804 63.899 63.100 -0.008 0.000 0.777 123 P CB 0.278 31.977 31.700 -0.003 0.000 0.794 124 R N -1.015 119.480 120.500 -0.009 0.000 2.312 124 R HA 0.231 4.571 4.340 -0.000 0.000 0.205 124 R C 1.622 177.915 176.300 -0.011 0.000 0.904 124 R CA 0.482 56.579 56.100 -0.005 0.000 1.052 124 R CB -0.318 29.984 30.300 0.003 0.000 1.014 124 R HN 0.139 nan 8.270 nan 0.000 0.503 125 G N 2.048 110.834 108.800 -0.022 0.000 2.672 125 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.324 125 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.324 125 G C 0.859 175.744 174.900 -0.025 0.000 1.286 125 G CA 0.599 45.683 45.100 -0.026 0.000 1.004 125 G HN 0.227 nan 8.290 nan 0.000 0.548 126 L N 0.408 121.622 121.223 -0.016 0.000 2.129 126 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 126 L C 2.978 179.848 176.870 -0.001 0.000 1.087 126 L CA 2.269 57.103 54.840 -0.010 0.000 0.757 126 L CB -0.489 41.565 42.059 -0.008 0.000 0.896 126 L HN 0.527 nan 8.230 nan 0.000 0.434 127 K N -0.084 120.317 120.400 0.002 0.000 2.148 127 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 127 K C 2.194 178.814 176.600 0.033 0.000 1.050 127 K CA 1.121 57.416 56.287 0.014 0.000 0.942 127 K CB -0.174 32.333 32.500 0.012 0.000 0.724 127 K HN 0.283 nan 8.250 nan 0.000 0.446 128 A N 0.841 123.673 122.820 0.020 0.000 2.016 128 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 128 A C 2.266 179.886 177.584 0.059 0.000 1.162 128 A CA 0.856 52.913 52.037 0.034 0.000 0.662 128 A CB -0.287 18.701 19.000 -0.022 0.000 0.812 128 A HN 0.040 nan 8.150 nan 0.000 0.450 129 V N -0.539 119.385 119.914 0.017 0.000 2.323 129 V HA 0.216 4.336 4.120 -0.000 0.000 0.244 129 V C 1.654 177.875 176.094 0.212 0.000 1.041 129 V CA 1.154 63.494 62.300 0.067 0.000 1.025 129 V CB -1.822 30.011 31.823 0.015 0.000 0.656 129 V HN 1.165 nan 8.190 nan 0.000 0.451 130 G N 0.646 109.511 108.800 0.107 0.000 2.829 130 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.628 130 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.628 130 G C -1.642 173.245 174.900 -0.021 0.000 1.412 130 G CA -0.063 45.073 45.100 0.061 0.000 0.864 130 G HN 0.322 nan 8.290 nan 0.000 0.544 131 P HA 0.209 nan 4.420 nan 0.000 0.257 131 P C 0.393 177.465 177.300 -0.380 0.000 1.281 131 P CA 0.768 63.673 63.100 -0.325 0.000 0.826 131 P CB 0.049 31.457 31.700 -0.486 0.000 1.237 132 Y N -1.357 118.946 120.300 0.004 0.000 2.467 132 Y HA 0.091 4.641 4.550 -0.000 0.000 0.250 132 Y C 2.266 178.161 175.900 -0.008 0.000 1.155 132 Y CA -0.056 58.020 58.100 -0.040 0.000 1.249 132 Y CB -0.415 37.920 38.460 -0.208 0.000 1.146 132 Y HN -0.277 nan 8.280 nan 0.000 0.524 133 V N -1.181 118.828 119.914 0.158 0.000 2.515 133 V HA -0.230 3.889 4.120 -0.000 0.000 0.250 133 V C 2.118 178.291 176.094 0.133 0.000 1.058 133 V CA 1.500 63.905 62.300 0.176 0.000 1.064 133 V CB -0.750 31.238 31.823 0.275 0.000 0.675 133 V HN 0.223 nan 8.190 nan 0.000 0.461 134 V N 1.239 121.219 119.914 0.111 0.000 2.287 134 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 134 V C 2.819 178.966 176.094 0.088 0.000 1.053 134 V CA 2.722 65.077 62.300 0.091 0.000 1.027 134 V CB -1.305 30.560 31.823 0.071 0.000 0.646 134 V HN 0.825 nan 8.190 nan 0.000 0.447 135 T N -2.008 112.615 114.554 0.116 0.000 2.904 135 T HA -0.138 4.211 4.350 -0.000 0.000 0.267 135 T C 1.770 176.501 174.700 0.052 0.000 1.059 135 T CA 1.121 63.281 62.100 0.100 0.000 1.137 135 T CB -0.246 68.731 68.868 0.180 0.000 0.879 135 T HN 0.471 nan 8.240 nan 0.000 0.467 136 K N 1.425 121.826 120.400 0.002 0.000 2.062 136 K HA 0.250 4.570 4.320 -0.000 0.000 0.205 136 K C 2.583 179.193 176.600 0.016 0.000 1.051 136 K CA 1.138 57.347 56.287 -0.131 0.000 0.941 136 K CB -0.247 31.941 32.500 -0.520 0.000 0.719 136 K HN 0.439 nan 8.250 nan 0.000 0.440 137 A N 1.878 124.756 122.820 0.095 0.000 2.178 137 A HA 0.071 4.391 4.320 -0.000 0.000 0.211 137 A C 1.172 178.812 177.584 0.094 0.000 1.157 137 A CA -0.109 52.010 52.037 0.138 0.000 0.780 137 A CB -0.455 18.647 19.000 0.170 0.000 0.828 137 A HN 0.322 nan 8.150 nan 0.000 0.476 138 M N -2.249 117.394 119.600 0.072 0.000 2.241 138 M HA 0.605 5.085 4.480 -0.000 0.000 0.335 138 M C 0.945 177.281 176.300 0.059 0.000 1.122 138 M CA 0.292 55.629 55.300 0.061 0.000 1.164 138 M CB 0.817 33.448 32.600 0.051 0.000 1.459 138 M HN 0.001 nan 8.290 nan 0.000 0.461 139 A N 1.614 124.468 122.820 0.056 0.000 1.972 139 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 139 A C 2.006 179.627 177.584 0.061 0.000 1.169 139 A CA 2.002 54.075 52.037 0.059 0.000 0.635 139 A CB -1.009 18.023 19.000 0.054 0.000 0.810 139 A HN 1.000 nan 8.150 nan 0.000 0.446 140 S N -0.829 114.906 115.700 0.058 0.000 2.634 140 S HA 0.292 4.762 4.470 -0.000 0.000 0.221 140 S C 1.630 176.264 174.600 0.057 0.000 0.952 140 S CA 0.571 58.810 58.200 0.065 0.000 0.930 140 S CB -0.321 62.920 63.200 0.067 0.000 0.780 140 S HN 0.586 nan 8.310 nan 0.000 0.498 141 G N 2.071 110.901 108.800 0.051 0.000 2.469 141 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 141 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 141 G C 1.279 176.207 174.900 0.047 0.000 1.150 141 G CA 1.190 46.315 45.100 0.041 0.000 0.763 141 G HN 0.493 nan 8.290 nan 0.000 0.561 142 V N 1.626 121.573 119.914 0.056 0.000 2.407 142 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 142 V C 3.205 179.342 176.094 0.071 0.000 1.055 142 V CA 2.372 64.711 62.300 0.066 0.000 1.049 142 V CB -0.241 31.622 31.823 0.066 0.000 0.662 142 V HN 0.636 nan 8.190 nan 0.000 0.455 143 S N 0.606 116.345 115.700 0.064 0.000 2.371 143 S HA 0.016 4.486 4.470 -0.000 0.000 0.221 143 S C 2.170 176.806 174.600 0.059 0.000 1.036 143 S CA 0.909 59.143 58.200 0.057 0.000 0.965 143 S CB -0.449 62.784 63.200 0.056 0.000 0.845 143 S HN 0.505 nan 8.310 nan 0.000 0.475 144 A N 1.141 123.991 122.820 0.049 0.000 1.892 144 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 144 A C 2.393 179.988 177.584 0.018 0.000 1.188 144 A CA 1.764 53.815 52.037 0.023 0.000 0.631 144 A CB -1.590 17.412 19.000 0.003 0.000 0.822 144 A HN 0.698 nan 8.150 nan 0.000 0.447 145 C N -1.280 118.042 119.300 0.036 0.000 2.472 145 C HA 0.153 4.613 4.460 -0.000 0.000 0.278 145 C C 2.295 177.367 174.990 0.136 0.000 1.447 145 C CA 0.701 59.747 59.018 0.047 0.000 1.773 145 C CB -1.338 26.429 27.740 0.045 0.000 1.793 145 C HN 0.532 nan 8.230 nan 0.000 0.544 146 L N 0.399 121.733 121.223 0.185 0.000 2.349 146 L HA 0.257 4.596 4.340 -0.000 0.000 0.200 146 L C 2.641 179.686 176.870 0.292 0.000 1.064 146 L CA 1.610 56.646 54.840 0.328 0.000 0.821 146 L CB -1.196 41.015 42.059 0.253 0.000 1.027 146 L HN 0.147 nan 8.230 nan 0.000 0.476 147 A N -0.944 121.972 122.820 0.161 0.000 1.972 147 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 147 A C 2.290 179.959 177.584 0.141 0.000 1.169 147 A CA 2.363 54.485 52.037 0.141 0.000 0.635 147 A CB -0.944 18.106 19.000 0.084 0.000 0.810 147 A HN 0.414 nan 8.150 nan 0.000 0.446 148 T N 0.460 115.068 114.554 0.089 0.000 2.639 148 T HA -0.067 4.283 4.350 -0.000 0.000 0.261 148 T C -0.134 174.594 174.700 0.047 0.000 1.053 148 T CA 1.695 63.821 62.100 0.043 0.000 1.158 148 T CB -1.038 67.808 68.868 -0.037 0.000 0.863 148 T HN 0.488 nan 8.240 nan 0.000 0.413 149 P HA 0.022 nan 4.420 nan 0.000 0.221 149 P C 0.762 177.990 177.300 -0.121 0.000 1.150 149 P CA 0.972 64.035 63.100 -0.062 0.000 0.800 149 P CB -0.234 31.417 31.700 -0.081 0.000 0.787 150 F N 0.504 120.504 119.950 0.084 0.000 2.797 150 F HA 0.164 4.691 4.527 -0.000 0.000 0.302 150 F C 0.960 176.822 175.800 0.103 0.000 1.130 150 F CA 0.211 58.260 58.000 0.081 0.000 1.387 150 F CB -0.328 38.637 39.000 -0.058 0.000 1.107 150 F HN -0.204 nan 8.300 nan 0.000 0.577 151 K N 0.121 120.632 120.400 0.185 0.000 3.117 151 K HA -0.192 4.128 4.320 -0.000 0.000 0.269 151 K C -0.374 176.285 176.600 0.099 0.000 1.098 151 K CA 0.279 56.623 56.287 0.095 0.000 0.785 151 K CB -2.432 30.055 32.500 -0.022 0.000 1.242 151 K HN 0.166 nan 8.250 nan 0.000 0.491 152 I N 1.266 121.954 120.570 0.198 0.000 2.556 152 I HA 0.012 4.182 4.170 -0.000 0.000 0.284 152 I C 1.984 178.278 176.117 0.296 0.000 1.114 152 I CA 0.380 61.805 61.300 0.209 0.000 1.418 152 I CB 0.290 38.401 38.000 0.186 0.000 1.394 152 I HN 0.246 nan 8.210 nan 0.000 0.552 153 H N 3.311 122.425 119.070 0.075 0.000 2.740 153 H HA 0.161 4.717 4.556 -0.000 0.000 0.265 153 H C 1.410 176.758 175.328 0.032 0.000 0.978 153 H CA 0.060 56.135 56.048 0.045 0.000 1.198 153 H CB 1.282 31.065 29.762 0.036 0.000 1.467 153 H HN 0.773 nan 8.280 nan 0.000 0.511 154 G N 1.112 109.999 108.800 0.146 0.000 2.735 154 G HA2 0.196 4.156 3.960 -0.000 0.000 0.192 154 G HA3 0.196 4.156 3.960 -0.000 0.000 0.192 154 G C 0.177 175.094 174.900 0.027 0.000 1.547 154 G CA 0.109 45.249 45.100 0.066 0.000 1.080 154 G HN 0.125 nan 8.290 nan 0.000 0.569 155 V N -0.674 119.224 119.914 -0.027 0.000 2.843 155 V HA 0.458 4.578 4.120 -0.000 0.000 0.305 155 V C -0.243 175.751 176.094 -0.168 0.000 1.065 155 V CA -0.360 61.878 62.300 -0.102 0.000 1.116 155 V CB 1.190 32.882 31.823 -0.218 0.000 0.968 155 V HN 0.729 nan 8.190 nan 0.000 0.487 156 N N 3.360 121.954 118.700 -0.176 0.000 2.629 156 N HA 0.505 5.245 4.740 -0.000 0.000 0.277 156 N C -1.265 174.228 175.510 -0.028 0.000 1.188 156 N CA -0.585 52.396 53.050 -0.114 0.000 0.835 156 N CB 1.189 39.683 38.487 0.010 0.000 1.420 156 N HN 1.002 nan 8.380 nan 0.000 0.542 157 Y N -0.989 119.332 120.300 0.034 0.000 2.741 157 Y HA 0.635 5.184 4.550 -0.000 0.000 0.339 157 Y C -1.242 174.676 175.900 0.029 0.000 1.226 157 Y CA -1.187 56.929 58.100 0.027 0.000 1.072 157 Y CB 0.238 38.710 38.460 0.021 0.000 1.331 157 Y HN 0.106 nan 8.280 nan 0.000 0.453 158 S N 2.133 118.018 115.700 0.309 0.000 2.509 158 S HA 0.701 5.170 4.470 -0.000 0.000 0.297 158 S C -0.665 174.077 174.600 0.237 0.000 1.118 158 S CA -0.740 57.586 58.200 0.210 0.000 1.074 158 S CB 0.837 64.113 63.200 0.127 0.000 1.038 158 S HN 0.473 nan 8.310 nan 0.000 0.498 159 I N 2.443 123.130 120.570 0.195 0.000 2.428 159 I HA 0.406 4.576 4.170 -0.000 0.000 0.296 159 I C 0.117 176.295 176.117 0.102 0.000 0.985 159 I CA -0.311 61.069 61.300 0.133 0.000 1.260 159 I CB 1.180 39.267 38.000 0.144 0.000 1.389 159 I HN 0.468 nan 8.210 nan 0.000 0.484 160 S N 3.618 119.360 115.700 0.070 0.000 2.561 160 S HA 0.540 5.010 4.470 -0.000 0.000 0.303 160 S C 0.029 174.667 174.600 0.064 0.000 1.110 160 S CA -0.644 57.599 58.200 0.073 0.000 1.034 160 S CB 1.645 64.883 63.200 0.064 0.000 1.010 160 S HN 0.707 nan 8.310 nan 0.000 0.482 161 S N 0.635 116.395 115.700 0.101 0.000 2.801 161 S HA 0.661 5.131 4.470 -0.000 0.000 0.236 161 S C 0.503 175.180 174.600 0.129 0.000 0.852 161 S CA -0.082 58.188 58.200 0.117 0.000 1.089 161 S CB -0.282 63.026 63.200 0.179 0.000 1.376 161 S HN 1.691 nan 8.310 nan 0.000 0.470 162 A N 0.643 123.523 122.820 0.100 0.000 5.382 162 A HA -0.312 4.008 4.320 -0.000 0.000 0.307 162 A C 1.532 179.138 177.584 0.038 0.000 1.937 162 A CA 0.990 53.070 52.037 0.073 0.000 0.715 162 A CB -2.091 16.956 19.000 0.080 0.000 1.293 162 A HN 1.366 nan 8.150 nan 0.000 0.374 163 C N 0.572 119.865 119.300 -0.012 0.000 2.511 163 C HA 0.426 4.886 4.460 -0.000 0.000 0.277 163 C C 2.557 177.569 174.990 0.035 0.000 1.451 163 C CA 0.973 60.011 59.018 0.034 0.000 1.735 163 C CB -1.802 25.997 27.740 0.099 0.000 1.704 163 C HN 1.320 nan 8.230 nan 0.000 0.571 164 A N -0.288 122.546 122.820 0.024 0.000 2.348 164 A HA 0.118 4.438 4.320 -0.000 0.000 0.224 164 A C 1.935 179.553 177.584 0.057 0.000 1.227 164 A CA 0.709 52.730 52.037 -0.026 0.000 0.885 164 A CB -0.522 18.494 19.000 0.027 0.000 0.933 164 A HN 0.427 nan 8.150 nan 0.000 0.506 165 T N 1.372 115.987 114.554 0.102 0.000 2.565 165 T HA -0.234 4.116 4.350 -0.000 0.000 0.265 165 T C 2.285 177.037 174.700 0.086 0.000 1.082 165 T CA 2.583 64.757 62.100 0.124 0.000 1.173 165 T CB -0.379 68.540 68.868 0.084 0.000 0.864 165 T HN 0.787 nan 8.240 nan 0.000 0.425 166 S N 1.279 116.992 115.700 0.021 0.000 2.489 166 S HA 0.253 4.723 4.470 -0.000 0.000 0.228 166 S C 2.292 176.856 174.600 -0.060 0.000 0.995 166 S CA 0.671 58.863 58.200 -0.014 0.000 0.934 166 S CB -0.340 62.840 63.200 -0.034 0.000 0.771 166 S HN 0.523 nan 8.310 nan 0.000 0.522 167 A N 2.340 125.101 122.820 -0.098 0.000 1.897 167 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 167 A C 2.123 179.610 177.584 -0.162 0.000 1.181 167 A CA 1.234 53.170 52.037 -0.168 0.000 0.620 167 A CB -1.003 17.853 19.000 -0.240 0.000 0.821 167 A HN 0.620 nan 8.150 nan 0.000 0.443 168 H N -0.794 118.279 119.070 0.004 0.000 2.421 168 H HA -0.126 4.430 4.556 -0.000 0.000 0.298 168 H C 2.369 177.667 175.328 -0.049 0.000 1.087 168 H CA 1.403 57.476 56.048 0.041 0.000 1.330 168 H CB -0.526 29.299 29.762 0.106 0.000 1.388 168 H HN 0.538 nan 8.280 nan 0.000 0.526 169 C N 0.597 119.939 119.300 0.071 0.000 2.432 169 C HA -0.115 4.345 4.460 -0.000 0.000 0.277 169 C C 2.998 177.938 174.990 -0.084 0.000 1.249 169 C CA 0.515 59.543 59.018 0.018 0.000 1.725 169 C CB -1.068 26.679 27.740 0.013 0.000 2.028 169 C HN 0.432 nan 8.230 nan 0.000 0.477 170 I N 1.099 121.582 120.570 -0.144 0.000 2.226 170 I HA -0.117 4.052 4.170 -0.000 0.000 0.245 170 I C 2.725 178.629 176.117 -0.354 0.000 1.100 170 I CA 1.841 63.016 61.300 -0.210 0.000 1.374 170 I CB -0.907 36.975 38.000 -0.196 0.000 1.057 170 I HN 0.447 nan 8.210 nan 0.000 0.413 171 G N 0.364 108.782 108.800 -0.637 0.000 2.422 171 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 171 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 171 G C 1.477 175.960 174.900 -0.694 0.000 1.146 171 G CA 0.683 44.923 45.100 -1.434 0.000 0.769 171 G HN 0.371 nan 8.290 nan 0.000 0.547 172 N N 0.952 119.485 118.700 -0.279 0.000 2.188 172 N HA -0.065 4.675 4.740 -0.000 0.000 0.184 172 N C 2.568 178.058 175.510 -0.034 0.000 1.018 172 N CA 1.007 54.050 53.050 -0.011 0.000 0.858 172 N CB -0.085 38.472 38.487 0.118 0.000 0.989 172 N HN 0.247 nan 8.380 nan 0.000 0.426 173 A N 0.895 123.655 122.820 -0.100 0.000 1.883 173 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 173 A C 2.459 179.982 177.584 -0.102 0.000 1.186 173 A CA 1.344 53.316 52.037 -0.109 0.000 0.624 173 A CB -0.892 18.026 19.000 -0.138 0.000 0.822 173 A HN 0.166 nan 8.150 nan 0.000 0.444 174 V N 0.169 120.004 119.914 -0.132 0.000 2.332 174 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 174 V C 2.420 178.500 176.094 -0.024 0.000 1.055 174 V CA 2.409 64.657 62.300 -0.086 0.000 1.038 174 V CB -0.897 30.865 31.823 -0.101 0.000 0.651 174 V HN 0.658 nan 8.190 nan 0.000 0.450 175 E N -0.582 119.622 120.200 0.007 0.000 2.118 175 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 175 E C 2.382 179.002 176.600 0.032 0.000 0.992 175 E CA 1.160 57.595 56.400 0.058 0.000 0.804 175 E CB -0.165 29.600 29.700 0.109 0.000 0.741 175 E HN 0.570 nan 8.360 nan 0.000 0.458 176 Q N 0.275 120.083 119.800 0.012 0.000 2.124 176 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 176 Q C 2.273 178.262 176.000 -0.017 0.000 0.977 176 Q CA 1.077 56.881 55.803 0.002 0.000 0.850 176 Q CB -0.198 28.528 28.738 -0.020 0.000 0.901 176 Q HN 0.409 nan 8.270 nan 0.000 0.429 177 I N 0.720 121.269 120.570 -0.034 0.000 2.202 177 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 177 I C 2.453 178.562 176.117 -0.014 0.000 1.091 177 I CA 1.066 62.343 61.300 -0.040 0.000 1.368 177 I CB -0.159 37.808 38.000 -0.056 0.000 1.058 177 I HN 0.225 nan 8.210 nan 0.000 0.410 178 Q N 0.277 120.078 119.800 0.001 0.000 2.135 178 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 178 Q C 2.149 178.158 176.000 0.016 0.000 0.981 178 Q CA 1.333 57.145 55.803 0.015 0.000 0.856 178 Q CB -0.141 28.616 28.738 0.032 0.000 0.902 178 Q HN 0.521 nan 8.270 nan 0.000 0.425 179 L N -0.677 120.556 121.223 0.017 0.000 2.610 179 L HA 0.040 4.380 4.340 -0.000 0.000 0.232 179 L C 1.200 178.077 176.870 0.011 0.000 1.149 179 L CA 0.449 55.300 54.840 0.018 0.000 0.872 179 L CB -0.205 41.868 42.059 0.025 0.000 0.992 179 L HN 0.445 nan 8.230 nan 0.000 0.447 180 G N 0.016 108.818 108.800 0.004 0.000 2.155 180 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.257 180 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.257 180 G C 1.024 175.922 174.900 -0.004 0.000 0.983 180 G CA 0.650 45.750 45.100 -0.001 0.000 0.676 180 G HN 0.403 nan 8.290 nan 0.000 0.528 181 K N -0.913 119.484 120.400 -0.004 0.000 2.262 181 K HA 0.113 4.433 4.320 -0.000 0.000 0.200 181 K C 0.922 177.511 176.600 -0.019 0.000 1.049 181 K CA 0.753 57.039 56.287 -0.002 0.000 0.979 181 K CB 0.092 32.599 32.500 0.011 0.000 0.773 181 K HN 0.415 nan 8.250 nan 0.000 0.474 182 Q N -0.156 119.619 119.800 -0.041 0.000 2.389 182 Q HA 0.142 4.482 4.340 -0.000 0.000 0.277 182 Q C -0.524 175.405 176.000 -0.119 0.000 1.082 182 Q CA -0.337 55.420 55.803 -0.076 0.000 0.810 182 Q CB 2.031 30.718 28.738 -0.086 0.000 1.374 182 Q HN -0.040 nan 8.270 nan 0.000 0.422 183 D N 0.379 120.667 120.400 -0.187 0.000 2.277 183 D HA 0.245 4.885 4.640 -0.000 0.000 0.209 183 D C 0.263 176.340 176.300 -0.372 0.000 0.970 183 D CA 0.866 54.674 54.000 -0.320 0.000 0.874 183 D CB 1.175 41.632 40.800 -0.573 0.000 0.982 183 D HN 0.370 nan 8.370 nan 0.000 0.504 184 I N 0.705 121.073 120.570 -0.337 0.000 2.619 184 I HA 0.246 4.415 4.170 -0.000 0.000 0.292 184 I C -1.174 174.733 176.117 -0.350 0.000 1.100 184 I CA -0.759 60.313 61.300 -0.381 0.000 1.043 184 I CB 3.289 41.017 38.000 -0.453 0.000 1.239 184 I HN -0.413 nan 8.210 nan 0.000 0.420 185 V N 5.980 125.667 119.914 -0.378 0.000 2.525 185 V HA 0.384 4.504 4.120 -0.000 0.000 0.299 185 V C -0.660 175.215 176.094 -0.364 0.000 1.034 185 V CA -0.607 61.518 62.300 -0.291 0.000 0.863 185 V CB 1.691 33.404 31.823 -0.184 0.000 0.999 185 V HN 0.370 nan 8.190 nan 0.000 0.423 186 F N 3.529 123.374 119.950 -0.176 0.000 2.472 186 F HA 0.648 5.175 4.527 -0.000 0.000 0.364 186 F C 0.760 176.456 175.800 -0.173 0.000 1.090 186 F CA 0.095 57.973 58.000 -0.203 0.000 1.188 186 F CB 0.964 39.800 39.000 -0.273 0.000 1.105 186 F HN 0.575 nan 8.300 nan 0.000 0.536 187 A N 2.456 125.269 122.820 -0.012 0.000 2.414 187 A HA 0.945 5.265 4.320 -0.000 0.000 0.306 187 A C 0.009 177.563 177.584 -0.051 0.000 1.054 187 A CA 0.091 52.098 52.037 -0.050 0.000 0.724 187 A CB 1.542 20.485 19.000 -0.096 0.000 1.267 187 A HN 1.045 nan 8.150 nan 0.000 0.418 188 G N -0.362 108.413 108.800 -0.041 0.000 2.564 188 G HA2 0.705 4.665 3.960 -0.000 0.000 0.139 188 G HA3 0.705 4.665 3.960 -0.000 0.000 0.139 188 G C -0.105 174.785 174.900 -0.016 0.000 1.147 188 G CA 0.449 45.523 45.100 -0.044 0.000 1.031 188 G HN 2.392 nan 8.290 nan 0.000 0.482 189 G N -2.022 106.775 108.800 -0.005 0.000 2.349 189 G HA2 0.799 4.759 3.960 -0.000 0.000 0.294 189 G HA3 0.799 4.759 3.960 -0.000 0.000 0.294 189 G C -0.562 174.366 174.900 0.046 0.000 1.380 189 G CA 0.672 45.786 45.100 0.024 0.000 0.811 189 G HN 2.057 nan 8.290 nan 0.000 0.519 190 G N -1.230 107.613 108.800 0.072 0.000 2.692 190 G HA2 0.693 4.653 3.960 -0.000 0.000 0.291 190 G HA3 0.693 4.653 3.960 -0.000 0.000 0.291 190 G C -1.900 173.072 174.900 0.120 0.000 1.423 190 G CA -0.352 44.822 45.100 0.124 0.000 0.843 190 G HN 0.697 nan 8.290 nan 0.000 0.486 191 E N -0.278 120.029 120.200 0.178 0.000 2.321 191 E HA 0.339 4.689 4.350 -0.000 0.000 0.281 191 E C -0.203 176.522 176.600 0.209 0.000 0.910 191 E CA -0.688 55.795 56.400 0.138 0.000 0.770 191 E CB 1.546 31.292 29.700 0.077 0.000 1.225 191 E HN 0.705 nan 8.360 nan 0.000 0.417 192 E N 3.169 123.446 120.200 0.129 0.000 2.369 192 E HA 0.390 4.739 4.350 -0.000 0.000 0.255 192 E C -0.805 175.857 176.600 0.102 0.000 1.172 192 E CA -0.794 55.677 56.400 0.118 0.000 0.932 192 E CB 1.124 30.847 29.700 0.038 0.000 1.040 192 E HN 0.263 nan 8.360 nan 0.000 0.454 193 L N 2.154 123.416 121.223 0.065 0.000 2.372 193 L HA 0.467 4.806 4.340 -0.000 0.000 0.274 193 L C -1.424 175.478 176.870 0.053 0.000 0.988 193 L CA -0.357 54.486 54.840 0.004 0.000 0.833 193 L CB 1.032 42.968 42.059 -0.205 0.000 1.236 193 L HN 0.920 nan 8.230 nan 0.000 0.410 194 C N 2.374 121.772 119.300 0.165 0.000 3.241 194 C HA 0.386 4.846 4.460 -0.000 0.000 0.348 194 C C 1.047 176.144 174.990 0.179 0.000 1.180 194 C CA -1.016 58.092 59.018 0.150 0.000 1.273 194 C CB 0.458 28.157 27.740 -0.068 0.000 1.620 194 C HN 1.090 nan 8.230 nan 0.000 0.510 195 W N 1.339 122.758 121.300 0.198 0.000 2.350 195 W HA -0.042 4.618 4.660 -0.000 0.000 0.289 195 W C 0.988 177.577 176.519 0.115 0.000 1.215 195 W CA 1.960 59.382 57.345 0.130 0.000 1.236 195 W CB -0.944 28.552 29.460 0.061 0.000 1.130 195 W HN 0.883 nan 8.180 nan 0.000 0.541 196 E N 0.749 120.398 120.200 -0.918 0.000 2.085 196 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 196 E C 2.355 178.804 176.600 -0.253 0.000 0.994 196 E CA 2.612 58.446 56.400 -0.943 0.000 0.801 196 E CB -0.653 28.519 29.700 -0.879 0.000 0.743 196 E HN 0.378 nan 8.360 nan 0.000 0.453 197 M N -0.575 118.974 119.600 -0.084 0.000 2.325 197 M HA 0.101 4.581 4.480 -0.000 0.000 0.265 197 M C 2.083 178.553 176.300 0.282 0.000 1.094 197 M CA 1.234 56.599 55.300 0.109 0.000 1.161 197 M CB 0.110 32.803 32.600 0.154 0.000 1.358 197 M HN 0.144 nan 8.290 nan 0.000 0.446 198 A N 0.341 123.331 122.820 0.283 0.000 1.940 198 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 198 A C 2.322 180.107 177.584 0.335 0.000 1.176 198 A CA 1.803 54.052 52.037 0.354 0.000 0.631 198 A CB -1.741 17.432 19.000 0.288 0.000 0.814 198 A HN 0.876 nan 8.150 nan 0.000 0.446 199 C N -0.647 118.824 119.300 0.284 0.000 2.419 199 C HA -0.027 4.433 4.460 -0.000 0.000 0.281 199 C C 2.134 177.227 174.990 0.171 0.000 1.336 199 C CA 0.923 60.086 59.018 0.241 0.000 1.770 199 C CB -1.496 26.429 27.740 0.308 0.000 1.929 199 C HN 0.655 nan 8.230 nan 0.000 0.509 200 E N 0.557 120.837 120.200 0.134 0.000 2.077 200 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 200 E C 1.760 178.328 176.600 -0.054 0.000 0.989 200 E CA 1.549 57.942 56.400 -0.011 0.000 0.800 200 E CB -0.329 29.290 29.700 -0.136 0.000 0.746 200 E HN 0.787 nan 8.360 nan 0.000 0.452 201 F N 1.031 121.056 119.950 0.125 0.000 2.206 201 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 201 F C 2.224 178.043 175.800 0.032 0.000 1.090 201 F CA 0.940 59.014 58.000 0.123 0.000 1.323 201 F CB -0.127 38.938 39.000 0.109 0.000 1.028 201 F HN -0.041 nan 8.300 nan 0.000 0.492 202 D N 0.386 120.902 120.400 0.195 0.000 2.144 202 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 202 D C 2.237 178.581 176.300 0.074 0.000 0.984 202 D CA 1.243 55.300 54.000 0.095 0.000 0.834 202 D CB -0.214 40.642 40.800 0.092 0.000 0.955 202 D HN 0.168 nan 8.370 nan 0.000 0.465 203 A N 0.609 123.474 122.820 0.075 0.000 2.070 203 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 203 A C 2.178 179.779 177.584 0.029 0.000 1.159 203 A CA 1.582 53.646 52.037 0.045 0.000 0.656 203 A CB -0.741 18.282 19.000 0.037 0.000 0.800 203 A HN 0.506 nan 8.150 nan 0.000 0.453 204 M N -2.886 116.736 119.600 0.037 0.000 2.494 204 M HA 0.433 4.913 4.480 -0.000 0.000 0.232 204 M C 1.098 177.429 176.300 0.052 0.000 1.137 204 M CA 0.684 55.999 55.300 0.026 0.000 1.012 204 M CB -0.038 32.561 32.600 -0.002 0.000 1.567 204 M HN 0.548 nan 8.290 nan 0.000 0.486 205 G N 0.759 109.593 108.800 0.057 0.000 2.143 205 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 205 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 205 G C 0.796 175.736 174.900 0.066 0.000 0.991 205 G CA 0.329 45.459 45.100 0.049 0.000 0.689 205 G HN 0.728 nan 8.290 nan 0.000 0.522 206 A N -0.833 122.043 122.820 0.094 0.000 2.123 206 A HA 0.628 4.948 4.320 -0.000 0.000 0.214 206 A C 1.259 178.748 177.584 -0.158 0.000 1.152 206 A CA 0.747 52.857 52.037 0.121 0.000 0.728 206 A CB 0.109 19.339 19.000 0.384 0.000 0.814 206 A HN 0.636 nan 8.150 nan 0.000 0.464 207 L N 0.036 121.128 121.223 -0.217 0.000 2.343 207 L HA 0.325 4.664 4.340 -0.000 0.000 0.275 207 L C 0.669 177.474 176.870 -0.109 0.000 1.056 207 L CA -0.564 54.082 54.840 -0.323 0.000 0.804 207 L CB 1.603 43.513 42.059 -0.249 0.000 1.203 207 L HN 0.162 nan 8.230 nan 0.000 0.440 208 S N 0.335 116.000 115.700 -0.058 0.000 2.537 208 S HA 0.093 4.563 4.470 -0.000 0.000 0.286 208 S C 0.819 175.428 174.600 0.014 0.000 1.299 208 S CA 0.187 58.417 58.200 0.049 0.000 1.067 208 S CB 0.385 63.658 63.200 0.121 0.000 0.864 208 S HN 0.829 nan 8.310 nan 0.000 0.494 209 T N 1.514 116.069 114.554 0.001 0.000 3.016 209 T HA 0.336 4.686 4.350 -0.000 0.000 0.271 209 T C 0.887 175.507 174.700 -0.134 0.000 0.968 209 T CA -0.413 61.635 62.100 -0.086 0.000 0.891 209 T CB -0.070 68.741 68.868 -0.094 0.000 1.149 209 T HN 0.593 nan 8.240 nan 0.000 0.524 210 K N 0.106 120.405 120.400 -0.169 0.000 2.404 210 K HA 0.245 4.565 4.320 -0.000 0.000 0.194 210 K C -0.227 176.027 176.600 -0.577 0.000 1.023 210 K CA 0.299 56.337 56.287 -0.416 0.000 1.094 210 K CB 0.195 32.348 32.500 -0.579 0.000 0.841 210 K HN 0.415 nan 8.250 nan 0.000 0.523 211 Y N -0.088 120.201 120.300 -0.018 0.000 2.706 211 Y HA 0.195 4.745 4.550 -0.000 0.000 0.255 211 Y C 0.878 176.790 175.900 0.020 0.000 1.163 211 Y CA -0.655 57.448 58.100 0.005 0.000 1.174 211 Y CB 0.117 38.589 38.460 0.020 0.000 1.200 211 Y HN 0.005 nan 8.280 nan 0.000 0.544 212 N N 0.541 119.289 118.700 0.081 0.000 2.289 212 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 212 N C 0.897 176.508 175.510 0.167 0.000 1.016 212 N CA 1.367 54.495 53.050 0.130 0.000 0.872 212 N CB 0.038 38.555 38.487 0.050 0.000 0.973 212 N HN 0.427 nan 8.380 nan 0.000 0.433 213 D N -0.175 120.280 120.400 0.092 0.000 2.312 213 D HA -0.033 4.606 4.640 -0.000 0.000 0.211 213 D C 0.503 176.844 176.300 0.069 0.000 0.964 213 D CA 0.868 54.898 54.000 0.050 0.000 0.877 213 D CB 0.055 40.865 40.800 0.017 0.000 0.924 213 D HN 0.330 nan 8.370 nan 0.000 0.515 214 T N -2.297 112.329 114.554 0.120 0.000 3.410 214 T HA 0.343 4.693 4.350 -0.000 0.000 0.328 214 T C -2.372 172.408 174.700 0.133 0.000 1.567 214 T CA -1.652 60.518 62.100 0.116 0.000 1.626 214 T CB 1.817 70.759 68.868 0.124 0.000 0.939 214 T HN -0.283 nan 8.240 nan 0.000 0.656 215 P HA -0.103 nan 4.420 nan 0.000 0.216 215 P C 1.304 178.665 177.300 0.101 0.000 1.150 215 P CA 1.137 64.327 63.100 0.149 0.000 0.843 215 P CB 0.159 31.969 31.700 0.184 0.000 0.787 216 E N -0.606 119.640 120.200 0.076 0.000 2.418 216 E HA -0.093 4.257 4.350 -0.000 0.000 0.197 216 E C 1.272 177.873 176.600 0.002 0.000 1.026 216 E CA 0.653 57.079 56.400 0.042 0.000 0.862 216 E CB -0.177 29.544 29.700 0.035 0.000 0.799 216 E HN 0.407 nan 8.360 nan 0.000 0.518 217 K N -0.215 120.176 120.400 -0.014 0.000 2.358 217 K HA 0.212 4.532 4.320 -0.000 0.000 0.197 217 K C 1.752 178.183 176.600 -0.281 0.000 1.025 217 K CA 0.275 56.494 56.287 -0.112 0.000 1.104 217 K CB 0.717 33.166 32.500 -0.084 0.000 0.855 217 K HN -0.033 nan 8.250 nan 0.000 0.531 218 A N 1.345 124.081 122.820 -0.140 0.000 1.898 218 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 218 A C 1.395 178.889 177.584 -0.149 0.000 1.181 218 A CA 1.021 52.972 52.037 -0.143 0.000 0.620 218 A CB -0.052 19.009 19.000 0.101 0.000 0.819 218 A HN 0.157 nan 8.150 nan 0.000 0.442 219 S N 0.463 116.119 115.700 -0.072 0.000 2.439 219 S HA 0.459 4.928 4.470 -0.000 0.000 0.282 219 S C 0.284 174.827 174.600 -0.095 0.000 1.170 219 S CA -0.607 57.566 58.200 -0.045 0.000 1.054 219 S CB -0.053 63.147 63.200 0.001 0.000 0.956 219 S HN 0.513 nan 8.310 nan 0.000 0.490 220 R N 2.554 122.990 120.500 -0.106 0.000 2.570 220 R HA 0.156 4.496 4.340 -0.000 0.000 0.246 220 R C -0.841 175.391 176.300 -0.113 0.000 1.417 220 R CA -0.617 55.415 56.100 -0.114 0.000 1.525 220 R CB -1.119 29.082 30.300 -0.166 0.000 1.403 220 R HN 0.452 nan 8.270 nan 0.000 0.754 221 T N 1.986 116.429 114.554 -0.186 0.000 2.891 221 T HA -0.054 4.296 4.350 -0.000 0.000 0.296 221 T C 0.012 174.475 174.700 -0.396 0.000 1.025 221 T CA 1.054 62.906 62.100 -0.414 0.000 1.149 221 T CB -0.116 68.395 68.868 -0.595 0.000 1.007 221 T HN 0.517 nan 8.240 nan 0.000 0.528 222 Y N -1.256 119.052 120.300 0.013 0.000 4.894 222 Y HA -0.228 4.322 4.550 -0.000 0.000 0.270 222 Y C 0.719 176.619 175.900 -0.002 0.000 0.930 222 Y CA 0.511 58.616 58.100 0.009 0.000 1.814 222 Y CB -2.293 36.171 38.460 0.007 0.000 1.235 222 Y HN 0.770 nan 8.280 nan 0.000 0.480 223 D N 0.609 121.060 120.400 0.084 0.000 2.382 223 D HA 0.538 5.177 4.640 -0.000 0.000 0.245 223 D C 1.283 177.588 176.300 0.008 0.000 1.120 223 D CA 0.789 54.821 54.000 0.053 0.000 0.890 223 D CB 1.269 42.089 40.800 0.033 0.000 1.201 223 D HN 0.284 nan 8.370 nan 0.000 0.433 224 A N 3.135 125.911 122.820 -0.073 0.000 2.070 224 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 224 A C 1.092 178.436 177.584 -0.401 0.000 1.159 224 A CA 1.344 53.226 52.037 -0.257 0.000 0.656 224 A CB -0.538 18.228 19.000 -0.389 0.000 0.800 224 A HN 0.792 nan 8.150 nan 0.000 0.453 225 H N -0.714 118.415 119.070 0.098 0.000 2.486 225 H HA 0.181 4.737 4.556 -0.000 0.000 0.284 225 H C 0.532 175.974 175.328 0.189 0.000 1.103 225 H CA -0.412 55.723 56.048 0.146 0.000 1.089 225 H CB 0.114 29.986 29.762 0.184 0.000 1.603 225 H HN 0.583 nan 8.280 nan 0.000 0.557 226 R N 1.626 122.219 120.500 0.155 0.000 2.756 226 R HA -0.011 4.329 4.340 -0.000 0.000 0.264 226 R C -0.478 175.931 176.300 0.182 0.000 1.026 226 R CA 0.628 56.807 56.100 0.132 0.000 1.121 226 R CB 0.436 30.765 30.300 0.049 0.000 0.999 226 R HN 0.276 nan 8.270 nan 0.000 0.449 227 D N 0.369 120.888 120.400 0.198 0.000 2.822 227 D HA 0.216 4.856 4.640 -0.000 0.000 0.327 227 D C 0.087 176.465 176.300 0.131 0.000 1.577 227 D CA 0.146 54.249 54.000 0.173 0.000 0.785 227 D CB 0.267 41.184 40.800 0.195 0.000 1.199 227 D HN 0.939 nan 8.370 nan 0.000 0.443 228 G N 0.463 109.341 108.800 0.130 0.000 2.423 228 G HA2 0.197 4.157 3.960 -0.000 0.000 0.684 228 G HA3 0.197 4.157 3.960 -0.000 0.000 0.684 228 G C -0.481 174.507 174.900 0.148 0.000 1.309 228 G CA -0.665 44.511 45.100 0.126 0.000 0.950 228 G HN 0.387 nan 8.290 nan 0.000 0.587 229 F N -0.644 119.365 119.950 0.099 0.000 2.378 229 F HA 0.779 5.306 4.527 -0.000 0.000 0.319 229 F C 0.333 176.174 175.800 0.068 0.000 1.155 229 F CA -1.296 56.749 58.000 0.075 0.000 1.157 229 F CB 1.130 40.199 39.000 0.114 0.000 1.252 229 F HN 0.408 nan 8.300 nan 0.000 0.550 230 V N 4.422 124.541 119.914 0.341 0.000 2.347 230 V HA 0.278 4.398 4.120 -0.000 0.000 0.280 230 V C 0.183 176.491 176.094 0.356 0.000 1.021 230 V CA -0.854 61.580 62.300 0.223 0.000 0.847 230 V CB 1.081 33.005 31.823 0.167 0.000 0.990 230 V HN 0.865 nan 8.190 nan 0.000 0.444 231 I N 4.536 125.266 120.570 0.267 0.000 2.779 231 I HA 0.593 4.762 4.170 -0.000 0.000 0.285 231 I C 0.459 176.699 176.117 0.206 0.000 1.134 231 I CA 0.434 61.904 61.300 0.282 0.000 1.398 231 I CB 1.030 39.131 38.000 0.170 0.000 1.404 231 I HN 0.790 nan 8.210 nan 0.000 0.587 232 A N 4.560 127.445 122.820 0.107 0.000 2.593 232 A HA 0.870 5.190 4.320 -0.000 0.000 0.290 232 A C -0.667 176.898 177.584 -0.030 0.000 1.126 232 A CA -0.145 51.907 52.037 0.025 0.000 0.695 232 A CB 1.286 20.303 19.000 0.028 0.000 1.290 232 A HN 0.842 nan 8.150 nan 0.000 0.414 233 G N -1.781 106.957 108.800 -0.104 0.000 2.714 233 G HA2 0.920 4.880 3.960 -0.000 0.000 0.292 233 G HA3 0.920 4.880 3.960 -0.000 0.000 0.292 233 G C -0.062 174.709 174.900 -0.215 0.000 1.308 233 G CA -0.239 44.819 45.100 -0.069 0.000 0.964 233 G HN 2.244 nan 8.290 nan 0.000 0.484 234 G N -2.078 106.585 108.800 -0.228 0.000 2.350 234 G HA2 0.624 4.584 3.960 -0.000 0.000 0.282 234 G HA3 0.624 4.584 3.960 -0.000 0.000 0.282 234 G C -0.394 174.467 174.900 -0.065 0.000 1.314 234 G CA 0.245 45.052 45.100 -0.489 0.000 0.915 234 G HN 1.918 nan 8.290 nan 0.000 0.499 235 G N -1.929 106.835 108.800 -0.061 0.000 2.682 235 G HA2 1.013 4.972 3.960 -0.000 0.000 0.290 235 G HA3 1.013 4.972 3.960 -0.000 0.000 0.290 235 G C -0.400 174.485 174.900 -0.024 0.000 1.425 235 G CA 0.286 45.413 45.100 0.045 0.000 0.807 235 G HN 2.095 nan 8.290 nan 0.000 0.482 236 G N -0.696 108.088 108.800 -0.027 0.000 2.667 236 G HA2 0.602 4.562 3.960 -0.000 0.000 0.294 236 G HA3 0.602 4.562 3.960 -0.000 0.000 0.294 236 G C -1.364 173.497 174.900 -0.066 0.000 1.467 236 G CA -0.618 44.440 45.100 -0.071 0.000 0.852 236 G HN 0.551 nan 8.290 nan 0.000 0.521 237 M N 0.910 120.462 119.600 -0.080 0.000 2.421 237 M HA 0.536 5.015 4.480 -0.000 0.000 0.287 237 M C -0.273 175.978 176.300 -0.081 0.000 1.183 237 M CA -0.903 54.354 55.300 -0.073 0.000 0.916 237 M CB 1.495 34.045 32.600 -0.083 0.000 1.701 237 M HN 0.910 nan 8.290 nan 0.000 0.470 238 V N 0.325 120.193 119.914 -0.076 0.000 2.864 238 V HA 0.854 4.974 4.120 -0.000 0.000 0.314 238 V C -0.535 175.511 176.094 -0.081 0.000 1.073 238 V CA -0.888 61.356 62.300 -0.094 0.000 0.956 238 V CB 1.973 33.715 31.823 -0.134 0.000 1.023 238 V HN 0.546 nan 8.190 nan 0.000 0.435 239 V N 3.606 123.459 119.914 -0.102 0.000 2.334 239 V HA 0.352 4.472 4.120 -0.000 0.000 0.267 239 V C 0.155 176.122 176.094 -0.211 0.000 1.040 239 V CA -0.350 61.812 62.300 -0.231 0.000 0.866 239 V CB 0.976 32.670 31.823 -0.216 0.000 1.019 239 V HN 0.725 nan 8.190 nan 0.000 0.468 240 V N 5.067 124.829 119.914 -0.253 0.000 2.406 240 V HA 0.472 4.592 4.120 -0.000 0.000 0.272 240 V C 0.070 176.037 176.094 -0.212 0.000 1.043 240 V CA -0.278 61.907 62.300 -0.192 0.000 0.915 240 V CB 1.308 33.028 31.823 -0.172 0.000 0.988 240 V HN 0.975 nan 8.190 nan 0.000 0.466 241 E N 2.830 122.941 120.200 -0.147 0.000 2.314 241 E HA 0.312 4.661 4.350 -0.000 0.000 0.272 241 E C -0.761 175.792 176.600 -0.078 0.000 0.884 241 E CA -0.718 55.600 56.400 -0.136 0.000 0.753 241 E CB 1.789 31.435 29.700 -0.091 0.000 1.213 241 E HN 0.700 nan 8.360 nan 0.000 0.432 242 E N 3.793 123.947 120.200 -0.077 0.000 2.414 242 E HA -0.046 4.304 4.350 -0.000 0.000 0.263 242 E C 0.722 177.335 176.600 0.023 0.000 1.000 242 E CA -0.062 56.322 56.400 -0.026 0.000 0.914 242 E CB 1.084 30.768 29.700 -0.027 0.000 0.948 242 E HN 0.630 nan 8.360 nan 0.000 0.444 243 L N 5.516 126.746 121.223 0.011 0.000 2.012 243 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 243 L C 1.863 178.746 176.870 0.022 0.000 1.073 243 L CA 1.884 56.729 54.840 0.009 0.000 0.748 243 L CB -0.345 41.714 42.059 -0.001 0.000 0.891 243 L HN 0.523 nan 8.230 nan 0.000 0.431 244 E N -1.062 119.157 120.200 0.031 0.000 2.106 244 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 244 E C 2.193 178.811 176.600 0.030 0.000 0.984 244 E CA 1.204 57.617 56.400 0.023 0.000 0.806 244 E CB -0.634 29.080 29.700 0.022 0.000 0.750 244 E HN 0.669 nan 8.360 nan 0.000 0.458 245 H N 0.628 119.683 119.070 -0.025 0.000 2.353 245 H HA -0.035 4.521 4.556 -0.000 0.000 0.300 245 H C 1.817 177.128 175.328 -0.028 0.000 1.090 245 H CA 1.695 57.728 56.048 -0.025 0.000 1.327 245 H CB 0.238 29.980 29.762 -0.032 0.000 1.383 245 H HN 0.122 nan 8.280 nan 0.000 0.508 246 A N 1.232 124.103 122.820 0.086 0.000 1.877 246 A HA -0.099 4.220 4.320 -0.000 0.000 0.216 246 A C 2.877 180.442 177.584 -0.033 0.000 1.186 246 A CA 1.264 53.317 52.037 0.026 0.000 0.620 246 A CB -0.923 18.089 19.000 0.020 0.000 0.822 246 A HN 0.412 nan 8.150 nan 0.000 0.443 247 L N -0.721 120.484 121.223 -0.030 0.000 2.083 247 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 247 L C 3.023 179.859 176.870 -0.056 0.000 1.083 247 L CA 1.068 55.885 54.840 -0.039 0.000 0.752 247 L CB -0.519 41.523 42.059 -0.029 0.000 0.899 247 L HN 0.447 nan 8.230 nan 0.000 0.433 248 A N 0.821 123.591 122.820 -0.084 0.000 2.015 248 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 248 A C 2.228 179.745 177.584 -0.112 0.000 1.163 248 A CA 1.413 53.390 52.037 -0.100 0.000 0.646 248 A CB -0.455 18.468 19.000 -0.127 0.000 0.806 248 A HN 0.573 nan 8.150 nan 0.000 0.448 249 R N -1.237 119.183 120.500 -0.134 0.000 2.359 249 R HA 0.346 4.686 4.340 -0.000 0.000 0.231 249 R C 0.928 177.198 176.300 -0.051 0.000 0.913 249 R CA 0.615 56.654 56.100 -0.102 0.000 1.075 249 R CB -0.596 29.628 30.300 -0.127 0.000 1.087 249 R HN 0.675 nan 8.270 nan 0.000 0.515 250 G N 0.911 109.685 108.800 -0.044 0.000 2.246 250 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.273 250 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.273 250 G C 0.324 175.218 174.900 -0.010 0.000 1.055 250 G CA 0.142 45.228 45.100 -0.024 0.000 0.851 250 G HN 0.720 nan 8.290 nan 0.000 0.500 251 A N 0.180 122.992 122.820 -0.013 0.000 2.520 251 A HA 0.450 4.770 4.320 -0.000 0.000 0.235 251 A C 0.722 178.312 177.584 0.009 0.000 1.065 251 A CA 0.360 52.401 52.037 0.005 0.000 0.764 251 A CB 0.151 19.149 19.000 -0.003 0.000 1.002 251 A HN 1.020 nan 8.150 nan 0.000 0.502 252 H N 2.228 121.253 119.070 -0.075 0.000 2.800 252 H HA 0.384 4.940 4.556 -0.000 0.000 0.291 252 H C -0.970 174.264 175.328 -0.158 0.000 1.076 252 H CA -0.077 55.884 56.048 -0.145 0.000 1.452 252 H CB 0.260 29.900 29.762 -0.203 0.000 1.461 252 H HN 0.488 nan 8.280 nan 0.000 0.488 253 I N 6.862 127.058 120.570 -0.623 0.000 2.330 253 I HA -0.018 4.152 4.170 -0.000 0.000 0.289 253 I C 0.123 175.887 176.117 -0.588 0.000 1.001 253 I CA -0.555 60.482 61.300 -0.439 0.000 1.193 253 I CB 1.023 38.902 38.000 -0.202 0.000 1.345 253 I HN 0.679 nan 8.210 nan 0.000 0.461 254 Y N 5.171 125.230 120.300 -0.402 0.000 2.184 254 Y HA 0.195 4.745 4.550 -0.000 0.000 0.290 254 Y C 1.266 177.082 175.900 -0.139 0.000 1.129 254 Y CA 0.942 58.898 58.100 -0.240 0.000 1.144 254 Y CB 0.126 38.526 38.460 -0.100 0.000 0.995 254 Y HN 0.647 nan 8.280 nan 0.000 0.513 255 A N -0.748 122.107 122.820 0.058 0.000 2.586 255 A HA 0.391 4.711 4.320 -0.000 0.000 0.291 255 A C -1.453 176.132 177.584 0.001 0.000 1.062 255 A CA -0.844 51.206 52.037 0.022 0.000 0.666 255 A CB 0.783 19.806 19.000 0.039 0.000 1.281 255 A HN 0.084 nan 8.150 nan 0.000 0.421 256 E N 0.986 121.184 120.200 -0.005 0.000 2.231 256 E HA 0.480 4.829 4.350 -0.000 0.000 0.277 256 E C -0.782 175.816 176.600 -0.004 0.000 0.999 256 E CA -0.690 55.705 56.400 -0.008 0.000 0.827 256 E CB 0.630 30.326 29.700 -0.006 0.000 1.101 256 E HN 0.470 nan 8.360 nan 0.000 0.393 257 I N 6.761 127.325 120.570 -0.010 0.000 2.294 257 I HA -0.014 4.155 4.170 -0.000 0.000 0.295 257 I C 1.155 177.282 176.117 0.018 0.000 1.098 257 I CA 0.141 61.439 61.300 -0.004 0.000 1.277 257 I CB 0.340 38.324 38.000 -0.028 0.000 1.434 257 I HN 0.483 nan 8.210 nan 0.000 0.498 258 V N 3.304 123.234 119.914 0.027 0.000 3.608 258 V HA 0.504 4.624 4.120 -0.000 0.000 0.269 258 V C 0.777 176.905 176.094 0.056 0.000 1.245 258 V CA 0.346 62.667 62.300 0.035 0.000 1.138 258 V CB 0.023 31.861 31.823 0.027 0.000 0.841 258 V HN 0.684 nan 8.190 nan 0.000 0.451 259 G N -0.672 108.172 108.800 0.073 0.000 2.733 259 G HA2 0.554 4.514 3.960 -0.000 0.000 0.297 259 G HA3 0.554 4.514 3.960 -0.000 0.000 0.297 259 G C -2.307 172.695 174.900 0.169 0.000 1.422 259 G CA -0.617 44.544 45.100 0.102 0.000 0.942 259 G HN 0.357 nan 8.290 nan 0.000 0.510 260 Y N 0.923 121.230 120.300 0.012 0.000 2.298 260 Y HA 0.646 5.196 4.550 -0.000 0.000 0.322 260 Y C -0.181 175.729 175.900 0.016 0.000 1.138 260 Y CA -1.168 56.934 58.100 0.004 0.000 1.127 260 Y CB 1.507 39.971 38.460 0.007 0.000 1.178 260 Y HN 0.871 nan 8.280 nan 0.000 0.428 261 G N 3.098 111.794 108.800 -0.172 0.000 2.388 261 G HA2 0.756 4.715 3.960 -0.000 0.000 0.330 261 G HA3 0.756 4.715 3.960 -0.000 0.000 0.330 261 G C -1.559 173.126 174.900 -0.357 0.000 1.142 261 G CA -0.528 44.409 45.100 -0.271 0.000 0.908 261 G HN 1.181 nan 8.290 nan 0.000 0.473 262 A N 1.520 124.150 122.820 -0.318 0.000 2.442 262 A HA 0.858 5.178 4.320 -0.000 0.000 0.284 262 A C -0.015 177.559 177.584 -0.017 0.000 1.058 262 A CA -0.039 51.964 52.037 -0.057 0.000 0.738 262 A CB 1.333 20.306 19.000 -0.045 0.000 1.242 262 A HN 1.564 nan 8.150 nan 0.000 0.421 263 T N -1.468 113.124 114.554 0.064 0.000 2.696 263 T HA 0.869 5.219 4.350 -0.000 0.000 0.291 263 T C -0.315 174.419 174.700 0.056 0.000 1.095 263 T CA -0.392 61.725 62.100 0.030 0.000 1.026 263 T CB 1.659 70.532 68.868 0.009 0.000 1.390 263 T HN 1.511 nan 8.240 nan 0.000 0.513 264 S N -1.044 114.672 115.700 0.026 0.000 2.548 264 S HA 0.470 4.939 4.470 -0.000 0.000 0.276 264 S C -0.377 174.229 174.600 0.009 0.000 1.129 264 S CA -0.596 57.620 58.200 0.027 0.000 0.931 264 S CB 1.649 64.857 63.200 0.013 0.000 1.068 264 S HN 0.684 nan 8.310 nan 0.000 0.480 265 D N 2.738 123.144 120.400 0.011 0.000 2.137 265 D HA 0.165 4.804 4.640 -0.000 0.000 0.202 265 D C 1.477 177.775 176.300 -0.003 0.000 0.970 265 D CA 1.464 55.461 54.000 -0.006 0.000 0.837 265 D CB -0.476 40.318 40.800 -0.010 0.000 0.981 265 D HN 1.064 nan 8.370 nan 0.000 0.475 266 G N 0.151 108.954 108.800 0.005 0.000 2.323 266 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.292 266 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.292 266 G C 0.631 175.531 174.900 -0.000 0.000 1.040 266 G CA 0.892 45.993 45.100 0.002 0.000 0.942 266 G HN 0.623 nan 8.290 nan 0.000 0.506 267 A N -1.093 121.728 122.820 0.002 0.000 1.758 267 A HA 0.651 4.971 4.320 -0.000 0.000 0.172 267 A C 0.245 177.830 177.584 0.001 0.000 1.924 267 A CA 0.737 52.774 52.037 -0.001 0.000 1.449 267 A CB 0.645 19.642 19.000 -0.006 0.000 1.075 267 A HN 0.280 nan 8.150 nan 0.000 0.777 268 D N -0.241 120.162 120.400 0.004 0.000 2.342 268 D HA 0.433 5.073 4.640 -0.000 0.000 0.243 268 D C 0.653 176.957 176.300 0.007 0.000 1.019 268 D CA -0.578 53.422 54.000 0.001 0.000 0.864 268 D CB 1.615 42.414 40.800 -0.001 0.000 1.315 268 D HN 0.083 nan 8.370 nan 0.000 0.468 269 M N 0.786 120.378 119.600 -0.013 0.000 2.200 269 M HA -0.075 4.405 4.480 -0.000 0.000 0.265 269 M C 1.608 177.876 176.300 -0.054 0.000 1.066 269 M CA 1.416 56.705 55.300 -0.018 0.000 1.127 269 M CB -0.170 32.400 32.600 -0.051 0.000 1.379 269 M HN 0.381 nan 8.290 nan 0.000 0.420 270 V N -3.721 116.122 119.914 -0.118 0.000 3.253 270 V HA 0.673 4.793 4.120 -0.000 0.000 0.320 270 V C 0.216 176.286 176.094 -0.041 0.000 1.442 270 V CA -0.187 61.955 62.300 -0.264 0.000 1.097 270 V CB -0.434 31.095 31.823 -0.489 0.000 1.008 270 V HN 0.148 nan 8.190 nan 0.000 0.463 271 A N 1.604 124.440 122.820 0.027 0.000 2.449 271 A HA 0.946 5.266 4.320 -0.000 0.000 0.302 271 A C -3.134 174.485 177.584 0.059 0.000 1.048 271 A CA -1.700 50.378 52.037 0.069 0.000 0.708 271 A CB 1.631 20.655 19.000 0.039 0.000 1.274 271 A HN 0.195 nan 8.150 nan 0.000 0.410 272 P HA 0.186 nan 4.420 nan 0.000 0.277 272 P C 0.727 178.004 177.300 -0.039 0.000 1.240 272 P CA -0.073 63.014 63.100 -0.023 0.000 0.798 272 P CB 1.520 33.161 31.700 -0.099 0.000 0.979 273 S N 0.933 116.597 115.700 -0.060 0.000 2.446 273 S HA 0.134 4.604 4.470 -0.000 0.000 0.225 273 S C 1.660 176.222 174.600 -0.064 0.000 1.016 273 S CA 0.955 59.127 58.200 -0.047 0.000 0.943 273 S CB -1.113 62.063 63.200 -0.039 0.000 0.786 273 S HN 0.737 nan 8.310 nan 0.000 0.508 274 G N 1.924 110.655 108.800 -0.115 0.000 2.640 274 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.226 274 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.226 274 G C 0.942 175.787 174.900 -0.091 0.000 1.222 274 G CA 0.595 45.628 45.100 -0.113 0.000 0.729 274 G HN 0.474 nan 8.290 nan 0.000 0.516 275 E N 1.801 121.963 120.200 -0.063 0.000 2.097 275 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 275 E C 2.620 179.188 176.600 -0.053 0.000 1.000 275 E CA 2.451 58.823 56.400 -0.047 0.000 0.804 275 E CB -0.992 28.688 29.700 -0.035 0.000 0.740 275 E HN 0.682 nan 8.360 nan 0.000 0.454 276 G N 0.608 109.368 108.800 -0.067 0.000 2.402 276 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 276 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 276 G C 1.746 176.614 174.900 -0.054 0.000 1.162 276 G CA 1.299 46.366 45.100 -0.054 0.000 0.777 276 G HN 0.434 nan 8.290 nan 0.000 0.539 277 A N 0.224 122.969 122.820 -0.127 0.000 1.902 277 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 277 A C 2.601 180.190 177.584 0.008 0.000 1.181 277 A CA 1.781 53.762 52.037 -0.092 0.000 0.623 277 A CB -0.645 18.150 19.000 -0.343 0.000 0.818 277 A HN 0.244 nan 8.150 nan 0.000 0.443 278 V N 0.022 119.921 119.914 -0.025 0.000 2.287 278 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 278 V C 2.655 178.732 176.094 -0.028 0.000 1.053 278 V CA 2.359 64.645 62.300 -0.022 0.000 1.027 278 V CB -0.789 31.015 31.823 -0.032 0.000 0.646 278 V HN 0.535 nan 8.190 nan 0.000 0.447 279 R N -1.174 119.310 120.500 -0.027 0.000 2.115 279 R HA -0.170 4.169 4.340 -0.000 0.000 0.230 279 R C 2.391 178.676 176.300 -0.024 0.000 1.111 279 R CA 1.613 57.694 56.100 -0.031 0.000 0.976 279 R CB -0.787 29.494 30.300 -0.032 0.000 0.870 279 R HN 0.591 nan 8.270 nan 0.000 0.445 280 C N 0.657 119.960 119.300 0.004 0.000 2.453 280 C HA -0.034 4.426 4.460 -0.000 0.000 0.277 280 C C 2.583 177.584 174.990 0.018 0.000 1.262 280 C CA 0.734 59.764 59.018 0.021 0.000 1.718 280 C CB -0.649 27.148 27.740 0.095 0.000 2.031 280 C HN 0.453 nan 8.230 nan 0.000 0.480 281 M N 0.289 119.912 119.600 0.038 0.000 2.117 281 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 281 M C 2.288 178.561 176.300 -0.045 0.000 1.065 281 M CA 1.886 57.195 55.300 0.016 0.000 1.114 281 M CB -0.472 32.145 32.600 0.028 0.000 1.361 281 M HN 0.375 nan 8.290 nan 0.000 0.408 282 K N -0.016 120.343 120.400 -0.067 0.000 2.103 282 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 282 K C 1.990 178.579 176.600 -0.019 0.000 1.048 282 K CA 1.475 57.720 56.287 -0.070 0.000 0.930 282 K CB -0.248 32.212 32.500 -0.065 0.000 0.716 282 K HN 0.369 nan 8.250 nan 0.000 0.444 283 M N 0.450 120.033 119.600 -0.028 0.000 2.117 283 M HA -0.153 4.326 4.480 -0.000 0.000 0.262 283 M C 2.070 178.372 176.300 0.004 0.000 1.065 283 M CA 1.738 57.019 55.300 -0.033 0.000 1.114 283 M CB -0.075 32.476 32.600 -0.081 0.000 1.361 283 M HN 0.161 nan 8.290 nan 0.000 0.408 284 A N 0.052 122.873 122.820 0.002 0.000 2.067 284 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 284 A C 1.869 179.483 177.584 0.049 0.000 1.158 284 A CA 1.345 53.403 52.037 0.034 0.000 0.661 284 A CB -0.592 18.434 19.000 0.044 0.000 0.801 284 A HN 0.652 nan 8.150 nan 0.000 0.452 285 M N -1.293 118.325 119.600 0.031 0.000 2.502 285 M HA 0.078 4.558 4.480 -0.000 0.000 0.243 285 M C 0.529 176.846 176.300 0.029 0.000 1.130 285 M CA -0.057 55.254 55.300 0.019 0.000 1.055 285 M CB -0.076 32.501 32.600 -0.038 0.000 1.457 285 M HN 0.502 nan 8.290 nan 0.000 0.488 286 H N 0.357 119.410 119.070 -0.028 0.000 3.046 286 H HA 0.209 4.765 4.556 -0.000 0.000 0.303 286 H C 1.214 176.536 175.328 -0.011 0.000 1.002 286 H CA 1.599 57.632 56.048 -0.024 0.000 1.460 286 H CB 0.298 30.043 29.762 -0.027 0.000 1.493 286 H HN 0.459 nan 8.280 nan 0.000 0.559 287 G N 3.256 111.808 108.800 -0.414 0.000 2.184 287 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.264 287 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.264 287 G C 0.032 174.877 174.900 -0.091 0.000 0.975 287 G CA 0.355 45.319 45.100 -0.227 0.000 0.642 287 G HN 0.659 nan 8.290 nan 0.000 0.536 288 V N 2.711 122.590 119.914 -0.058 0.000 2.389 288 V HA 0.360 4.480 4.120 -0.000 0.000 0.264 288 V C 0.999 177.079 176.094 -0.023 0.000 1.049 288 V CA 0.364 62.654 62.300 -0.018 0.000 0.932 288 V CB 1.375 33.205 31.823 0.012 0.000 1.011 288 V HN 0.479 nan 8.190 nan 0.000 0.475 289 D N 2.492 122.880 120.400 -0.019 0.000 2.342 289 D HA 0.020 4.660 4.640 -0.000 0.000 0.221 289 D C 0.619 176.920 176.300 0.001 0.000 1.101 289 D CA -0.022 53.968 54.000 -0.017 0.000 0.837 289 D CB 0.238 41.025 40.800 -0.022 0.000 0.938 289 D HN 0.580 nan 8.370 nan 0.000 0.508 290 T N -2.234 112.328 114.554 0.014 0.000 2.908 290 T HA 0.609 4.958 4.350 -0.000 0.000 0.290 290 T C -2.826 171.902 174.700 0.046 0.000 1.034 290 T CA -1.723 60.392 62.100 0.025 0.000 1.010 290 T CB 2.320 71.201 68.868 0.023 0.000 1.068 290 T HN -0.191 nan 8.240 nan 0.000 0.481 291 P HA 0.348 nan 4.420 nan 0.000 0.274 291 P C -0.457 176.892 177.300 0.080 0.000 1.237 291 P CA -0.726 62.423 63.100 0.082 0.000 0.793 291 P CB 0.497 32.233 31.700 0.061 0.000 0.977 292 I N 2.801 123.440 120.570 0.116 0.000 2.452 292 I HA 0.006 4.176 4.170 -0.000 0.000 0.287 292 I C 1.273 177.377 176.117 -0.021 0.000 1.079 292 I CA 0.420 61.752 61.300 0.053 0.000 1.387 292 I CB -0.197 37.843 38.000 0.066 0.000 1.404 292 I HN 0.316 nan 8.210 nan 0.000 0.522 293 D N 5.226 125.634 120.400 0.014 0.000 2.305 293 D HA -0.045 4.595 4.640 -0.000 0.000 0.206 293 D C -0.094 176.254 176.300 0.079 0.000 0.974 293 D CA 1.032 55.050 54.000 0.030 0.000 0.871 293 D CB 0.501 41.329 40.800 0.048 0.000 0.947 293 D HN 0.524 nan 8.370 nan 0.000 0.516 294 Y N 0.312 120.561 120.300 -0.085 0.000 2.474 294 Y HA 0.405 4.955 4.550 -0.000 0.000 0.326 294 Y C -2.263 173.585 175.900 -0.086 0.000 1.160 294 Y CA -1.083 56.961 58.100 -0.094 0.000 1.056 294 Y CB 0.981 39.388 38.460 -0.089 0.000 1.330 294 Y HN -0.225 nan 8.280 nan 0.000 0.447 295 L N 7.175 127.805 121.223 -0.989 0.000 2.343 295 L HA 0.512 4.852 4.340 -0.000 0.000 0.278 295 L C -1.126 175.146 176.870 -0.998 0.000 0.996 295 L CA -0.558 53.826 54.840 -0.760 0.000 0.831 295 L CB 1.023 42.840 42.059 -0.402 0.000 1.232 295 L HN 0.824 nan 8.230 nan 0.000 0.413 296 N N 3.643 121.906 118.700 -0.729 0.000 2.469 296 N HA 0.125 4.865 4.740 -0.000 0.000 0.239 296 N C -0.394 175.026 175.510 -0.149 0.000 1.053 296 N CA -0.211 52.649 53.050 -0.316 0.000 0.937 296 N CB 1.014 39.476 38.487 -0.042 0.000 1.163 296 N HN 0.728 nan 8.380 nan 0.000 0.509 297 S N 2.728 118.388 115.700 -0.066 0.000 2.614 297 S HA 0.030 4.500 4.470 -0.000 0.000 0.265 297 S C 1.274 175.869 174.600 -0.009 0.000 1.303 297 S CA -0.275 57.934 58.200 0.014 0.000 1.000 297 S CB 1.278 64.572 63.200 0.155 0.000 0.935 297 S HN 0.712 nan 8.310 nan 0.000 0.551 298 H N 1.912 120.904 119.070 -0.131 0.000 2.326 298 H HA 0.149 4.704 4.556 -0.000 0.000 0.301 298 H C 1.620 176.853 175.328 -0.160 0.000 1.081 298 H CA 1.560 57.476 56.048 -0.220 0.000 1.334 298 H CB -1.006 28.561 29.762 -0.324 0.000 1.385 298 H HN 1.165 nan 8.280 nan 0.000 0.504 299 G N 0.519 109.274 108.800 -0.075 0.000 2.334 299 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.279 299 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.279 299 G C 0.989 175.686 174.900 -0.338 0.000 0.918 299 G CA 0.903 45.874 45.100 -0.216 0.000 1.314 299 G HN 0.756 nan 8.290 nan 0.000 0.463 300 T N -2.605 111.776 114.554 -0.289 0.000 3.081 300 T HA 0.405 4.754 4.350 -0.000 0.000 0.255 300 T C 1.388 176.052 174.700 -0.060 0.000 1.113 300 T CA 1.121 63.058 62.100 -0.271 0.000 1.082 300 T CB 0.324 69.085 68.868 -0.180 0.000 0.939 300 T HN 1.876 nan 8.240 nan 0.000 0.506 301 S N 0.874 116.515 115.700 -0.099 0.000 3.672 301 S HA -0.129 4.341 4.470 -0.000 0.000 0.294 301 S C 0.196 174.837 174.600 0.067 0.000 1.200 301 S CA 0.581 58.756 58.200 -0.042 0.000 0.837 301 S CB -2.132 61.057 63.200 -0.020 0.000 0.972 301 S HN 1.242 nan 8.310 nan 0.000 0.583 302 T N -0.904 113.704 114.554 0.091 0.000 2.824 302 T HA 0.683 5.033 4.350 -0.000 0.000 0.280 302 T C -1.447 173.319 174.700 0.111 0.000 0.995 302 T CA -1.694 60.497 62.100 0.151 0.000 1.009 302 T CB 1.747 70.753 68.868 0.230 0.000 0.955 302 T HN -0.063 nan 8.240 nan 0.000 0.452 303 P HA -0.138 nan 4.420 nan 0.000 0.213 303 P C 1.721 179.077 177.300 0.093 0.000 1.170 303 P CA 0.687 63.841 63.100 0.090 0.000 0.902 303 P CB -0.049 31.701 31.700 0.084 0.000 0.789 304 V N -0.277 119.698 119.914 0.102 0.000 2.283 304 V HA -0.121 3.999 4.120 -0.000 0.000 0.243 304 V C 2.639 178.800 176.094 0.112 0.000 1.039 304 V CA 2.507 64.864 62.300 0.096 0.000 1.016 304 V CB -1.923 29.954 31.823 0.091 0.000 0.650 304 V HN 0.178 nan 8.190 nan 0.000 0.449 305 G N -0.266 108.620 108.800 0.142 0.000 2.440 305 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 305 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 305 G C 1.206 176.203 174.900 0.161 0.000 1.154 305 G CA 1.176 46.375 45.100 0.164 0.000 0.767 305 G HN 0.503 nan 8.290 nan 0.000 0.552 306 D N 0.065 120.547 120.400 0.136 0.000 2.104 306 D HA -0.121 4.519 4.640 -0.000 0.000 0.194 306 D C 2.893 179.346 176.300 0.255 0.000 0.994 306 D CA 1.727 55.821 54.000 0.157 0.000 0.830 306 D CB -0.439 40.392 40.800 0.051 0.000 0.959 306 D HN 0.380 nan 8.370 nan 0.000 0.452 307 V N -1.413 118.611 119.914 0.184 0.000 3.052 307 V HA 0.067 4.186 4.120 -0.000 0.000 0.254 307 V C 2.098 178.257 176.094 0.108 0.000 1.100 307 V CA 0.794 63.185 62.300 0.151 0.000 1.112 307 V CB -0.301 31.589 31.823 0.112 0.000 0.738 307 V HN -0.116 nan 8.190 nan 0.000 0.469 308 K N 1.568 122.024 120.400 0.093 0.000 2.057 308 K HA -0.188 4.131 4.320 -0.000 0.000 0.207 308 K C 2.230 178.860 176.600 0.050 0.000 1.049 308 K CA 2.175 58.492 56.287 0.051 0.000 0.931 308 K CB -0.489 32.025 32.500 0.024 0.000 0.714 308 K HN 0.710 nan 8.250 nan 0.000 0.440 309 E N -0.029 120.233 120.200 0.105 0.000 2.077 309 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 309 E C 1.891 178.585 176.600 0.156 0.000 0.989 309 E CA 1.111 57.605 56.400 0.156 0.000 0.800 309 E CB -0.076 29.822 29.700 0.330 0.000 0.746 309 E HN 0.306 nan 8.360 nan 0.000 0.452 310 L N 0.426 121.739 121.223 0.150 0.000 2.046 310 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 310 L C 2.733 179.642 176.870 0.065 0.000 1.077 310 L CA 1.002 55.894 54.840 0.087 0.000 0.747 310 L CB -0.585 41.496 42.059 0.037 0.000 0.896 310 L HN 0.229 nan 8.230 nan 0.000 0.432 311 A N 0.242 123.097 122.820 0.059 0.000 1.908 311 A HA -0.218 4.101 4.320 -0.000 0.000 0.218 311 A C 2.541 180.153 177.584 0.047 0.000 1.181 311 A CA 1.940 54.003 52.037 0.042 0.000 0.627 311 A CB -0.685 18.333 19.000 0.031 0.000 0.818 311 A HN 0.420 nan 8.150 nan 0.000 0.445 312 A N -0.134 122.715 122.820 0.049 0.000 1.898 312 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 312 A C 2.107 179.747 177.584 0.094 0.000 1.181 312 A CA 1.449 53.513 52.037 0.046 0.000 0.620 312 A CB -0.627 18.387 19.000 0.023 0.000 0.819 312 A HN 0.501 nan 8.150 nan 0.000 0.442 313 I N -0.624 120.036 120.570 0.149 0.000 2.151 313 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 313 I C 2.762 179.039 176.117 0.266 0.000 1.080 313 I CA 1.622 63.078 61.300 0.259 0.000 1.339 313 I CB -0.367 37.751 38.000 0.196 0.000 1.039 313 I HN 0.299 nan 8.210 nan 0.000 0.409 314 R N 0.323 120.907 120.500 0.140 0.000 2.096 314 R HA -0.219 4.121 4.340 -0.000 0.000 0.235 314 R C 2.239 178.594 176.300 0.092 0.000 1.127 314 R CA 1.634 57.800 56.100 0.110 0.000 0.968 314 R CB -0.377 29.957 30.300 0.057 0.000 0.861 314 R HN 0.468 nan 8.270 nan 0.000 0.440 315 E N 0.547 120.783 120.200 0.059 0.000 2.072 315 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 315 E C 1.869 178.457 176.600 -0.020 0.000 0.985 315 E CA 1.026 57.437 56.400 0.018 0.000 0.801 315 E CB 0.232 29.934 29.700 0.003 0.000 0.750 315 E HN 0.082 nan 8.360 nan 0.000 0.452 316 V N 0.128 120.012 119.914 -0.050 0.000 2.358 316 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 316 V C 1.685 177.566 176.094 -0.356 0.000 1.047 316 V CA 1.560 63.708 62.300 -0.252 0.000 1.035 316 V CB -0.403 31.173 31.823 -0.412 0.000 0.658 316 V HN 0.289 nan 8.190 nan 0.000 0.452 317 F N -0.132 119.818 119.950 0.000 0.000 2.754 317 F HA 0.463 4.990 4.527 -0.000 0.000 0.297 317 F C 1.827 177.625 175.800 -0.004 0.000 1.122 317 F CA 0.598 58.596 58.000 -0.003 0.000 1.400 317 F CB -0.441 38.554 39.000 -0.008 0.000 1.117 317 F HN 0.266 nan 8.300 nan 0.000 0.587 318 G N 1.135 110.010 108.800 0.125 0.000 2.591 318 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.298 318 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.298 318 G C 0.714 175.663 174.900 0.081 0.000 1.195 318 G CA 0.557 45.701 45.100 0.074 0.000 0.989 318 G HN 0.404 nan 8.290 nan 0.000 0.551 319 D N 0.129 120.566 120.400 0.062 0.000 2.395 319 D HA 0.502 5.142 4.640 -0.000 0.000 0.226 319 D C 0.826 177.157 176.300 0.052 0.000 1.146 319 D CA 1.350 55.378 54.000 0.047 0.000 0.830 319 D CB -0.175 40.643 40.800 0.030 0.000 0.958 319 D HN 0.602 nan 8.370 nan 0.000 0.501 320 K N 0.569 121.021 120.400 0.087 0.000 2.842 320 K HA 0.459 4.779 4.320 -0.000 0.000 0.176 320 K C -0.545 176.098 176.600 0.072 0.000 1.080 320 K CA -0.626 55.707 56.287 0.077 0.000 0.954 320 K CB 0.516 33.073 32.500 0.095 0.000 1.203 320 K HN 0.444 nan 8.250 nan 0.000 0.611 321 S N 3.075 118.771 115.700 -0.006 0.000 2.584 321 S HA 0.482 4.952 4.470 -0.000 0.000 0.273 321 S C -1.648 172.796 174.600 -0.259 0.000 1.311 321 S CA -1.075 57.040 58.200 -0.142 0.000 1.034 321 S CB 0.521 63.666 63.200 -0.093 0.000 0.939 321 S HN 0.481 nan 8.310 nan 0.000 0.513 322 P HA 0.424 nan 4.420 nan 0.000 0.281 322 P C -0.789 176.373 177.300 -0.230 0.000 1.264 322 P CA -0.670 62.210 63.100 -0.367 0.000 0.824 322 P CB 0.552 31.918 31.700 -0.557 0.000 1.092 323 A N 1.590 124.343 122.820 -0.111 0.000 2.498 323 A HA 0.384 4.704 4.320 -0.000 0.000 0.239 323 A C 0.228 177.786 177.584 -0.044 0.000 1.068 323 A CA 0.186 52.210 52.037 -0.021 0.000 0.766 323 A CB -0.727 18.324 19.000 0.084 0.000 1.003 323 A HN 0.496 nan 8.150 nan 0.000 0.497 324 I N 1.211 121.769 120.570 -0.022 0.000 2.686 324 I HA 0.511 4.680 4.170 -0.000 0.000 0.295 324 I C 0.051 176.229 176.117 0.101 0.000 1.114 324 I CA -0.178 61.077 61.300 -0.076 0.000 1.038 324 I CB 2.623 40.545 38.000 -0.130 0.000 1.238 324 I HN 0.798 nan 8.210 nan 0.000 0.420 325 S N 3.622 119.425 115.700 0.172 0.000 2.556 325 S HA 0.876 5.345 4.470 -0.000 0.000 0.271 325 S C -1.042 173.678 174.600 0.199 0.000 1.135 325 S CA -0.807 57.535 58.200 0.237 0.000 0.858 325 S CB 2.083 65.440 63.200 0.261 0.000 1.114 325 S HN 0.777 nan 8.310 nan 0.000 0.468 326 A N 1.833 124.764 122.820 0.185 0.000 2.394 326 A HA 0.583 4.903 4.320 -0.000 0.000 0.333 326 A C 1.093 178.686 177.584 0.014 0.000 1.397 326 A CA -0.217 51.859 52.037 0.065 0.000 0.884 326 A CB -0.245 18.714 19.000 -0.068 0.000 1.147 326 A HN 1.295 nan 8.150 nan 0.000 0.505 327 T N -0.220 114.351 114.554 0.028 0.000 3.007 327 T HA -0.097 4.252 4.350 -0.000 0.000 0.270 327 T C 1.340 176.009 174.700 -0.052 0.000 1.107 327 T CA 1.248 63.338 62.100 -0.016 0.000 1.118 327 T CB -0.325 68.537 68.868 -0.010 0.000 0.889 327 T HN 0.619 nan 8.240 nan 0.000 0.506 328 K N 1.178 121.534 120.400 -0.073 0.000 2.280 328 K HA 0.158 4.478 4.320 -0.000 0.000 0.202 328 K C 2.613 179.171 176.600 -0.071 0.000 1.047 328 K CA 0.882 57.112 56.287 -0.095 0.000 0.942 328 K CB -0.347 32.032 32.500 -0.201 0.000 0.739 328 K HN 0.492 nan 8.250 nan 0.000 0.457 329 A N 1.020 123.794 122.820 -0.077 0.000 1.972 329 A HA -0.143 4.176 4.320 -0.000 0.000 0.219 329 A C 2.022 179.580 177.584 -0.044 0.000 1.169 329 A CA 1.346 53.347 52.037 -0.061 0.000 0.635 329 A CB -0.290 18.675 19.000 -0.058 0.000 0.810 329 A HN 0.193 nan 8.150 nan 0.000 0.446 330 M N -0.970 118.598 119.600 -0.053 0.000 2.216 330 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 330 M C 2.285 178.558 176.300 -0.045 0.000 1.080 330 M CA 1.790 57.055 55.300 -0.057 0.000 1.153 330 M CB -0.183 32.358 32.600 -0.099 0.000 1.356 330 M HN 0.603 nan 8.290 nan 0.000 0.432 331 T N -2.593 111.932 114.554 -0.048 0.000 3.037 331 T HA 0.427 4.777 4.350 -0.000 0.000 0.251 331 T C 1.067 175.782 174.700 0.024 0.000 1.079 331 T CA 0.319 62.409 62.100 -0.017 0.000 1.067 331 T CB -0.140 68.738 68.868 0.017 0.000 0.948 331 T HN 0.552 nan 8.240 nan 0.000 0.496 332 G N 1.270 110.089 108.800 0.031 0.000 2.796 332 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.226 332 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.226 332 G C -0.801 174.144 174.900 0.074 0.000 1.381 332 G CA -0.235 44.914 45.100 0.083 0.000 0.867 332 G HN 0.827 nan 8.290 nan 0.000 0.552 333 H N 0.659 119.716 119.070 -0.022 0.000 2.638 333 H HA 0.599 5.155 4.556 -0.000 0.000 0.303 333 H C 1.431 176.661 175.328 -0.163 0.000 1.034 333 H CA -0.085 55.850 56.048 -0.188 0.000 1.225 333 H CB 0.652 30.134 29.762 -0.467 0.000 1.394 333 H HN 0.834 nan 8.280 nan 0.000 0.477 334 S N 5.081 120.874 115.700 0.155 0.000 2.743 334 S HA 0.169 4.639 4.470 -0.000 0.000 0.230 334 S C 1.191 175.782 174.600 -0.015 0.000 0.950 334 S CA -0.152 58.065 58.200 0.028 0.000 0.976 334 S CB -0.628 62.576 63.200 0.007 0.000 0.779 334 S HN 0.708 nan 8.310 nan 0.000 0.487 335 L N -0.410 120.753 121.223 -0.101 0.000 5.712 335 L HA -0.327 4.013 4.340 -0.000 0.000 0.053 335 L C 2.170 179.028 176.870 -0.020 0.000 2.787 335 L CA 1.328 56.015 54.840 -0.255 0.000 1.527 335 L CB -2.033 39.855 42.059 -0.284 0.000 2.908 335 L HN 0.436 nan 8.230 nan 0.000 0.994 336 G N -1.031 107.765 108.800 -0.008 0.000 2.470 336 G HA2 0.073 4.033 3.960 -0.000 0.000 0.220 336 G HA3 0.073 4.033 3.960 -0.000 0.000 0.220 336 G C 1.249 176.162 174.900 0.021 0.000 1.121 336 G CA 1.184 46.300 45.100 0.027 0.000 0.766 336 G HN 0.863 nan 8.290 nan 0.000 0.553 337 A N 0.399 123.228 122.820 0.014 0.000 2.208 337 A HA 0.613 4.933 4.320 -0.000 0.000 0.209 337 A C 2.524 180.084 177.584 -0.041 0.000 1.161 337 A CA 1.312 53.345 52.037 -0.007 0.000 0.782 337 A CB -0.212 18.790 19.000 0.003 0.000 0.816 337 A HN 0.502 nan 8.150 nan 0.000 0.477 338 A N -0.084 122.729 122.820 -0.012 0.000 1.898 338 A HA 0.165 4.485 4.320 -0.000 0.000 0.216 338 A C 2.311 179.835 177.584 -0.099 0.000 1.181 338 A CA 1.689 53.700 52.037 -0.042 0.000 0.620 338 A CB -1.171 17.828 19.000 -0.003 0.000 0.819 338 A HN 0.628 nan 8.150 nan 0.000 0.442 339 G N -0.759 107.993 108.800 -0.080 0.000 2.446 339 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 339 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 339 G C 1.646 176.451 174.900 -0.158 0.000 1.168 339 G CA 1.305 46.332 45.100 -0.122 0.000 0.771 339 G HN 0.550 nan 8.290 nan 0.000 0.551 340 V N 0.120 119.946 119.914 -0.148 0.000 2.453 340 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 340 V C 2.728 178.662 176.094 -0.266 0.000 1.048 340 V CA 2.445 64.640 62.300 -0.174 0.000 1.049 340 V CB -0.262 31.483 31.823 -0.130 0.000 0.672 340 V HN 0.505 nan 8.190 nan 0.000 0.457 341 Q N -0.345 119.267 119.800 -0.313 0.000 2.084 341 Q HA -0.263 4.076 4.340 -0.000 0.000 0.202 341 Q C 2.154 177.555 176.000 -0.997 0.000 0.978 341 Q CA 2.261 57.716 55.803 -0.580 0.000 0.844 341 Q CB -0.157 28.310 28.738 -0.451 0.000 0.898 341 Q HN 0.730 nan 8.270 nan 0.000 0.426 342 E N 0.393 120.235 120.200 -0.596 0.000 2.152 342 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 342 E C 1.922 178.386 176.600 -0.227 0.000 0.983 342 E CA 0.693 56.865 56.400 -0.379 0.000 0.818 342 E CB -0.060 29.570 29.700 -0.118 0.000 0.758 342 E HN 0.335 nan 8.360 nan 0.000 0.467 343 A N 1.194 123.879 122.820 -0.226 0.000 1.902 343 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 343 A C 2.163 179.644 177.584 -0.171 0.000 1.181 343 A CA 1.088 53.029 52.037 -0.160 0.000 0.623 343 A CB -0.539 18.366 19.000 -0.159 0.000 0.818 343 A HN 0.146 nan 8.150 nan 0.000 0.443 344 I N -1.514 118.895 120.570 -0.268 0.000 2.226 344 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 344 I C 2.329 178.395 176.117 -0.084 0.000 1.100 344 I CA 1.265 62.426 61.300 -0.231 0.000 1.374 344 I CB -0.432 37.405 38.000 -0.272 0.000 1.057 344 I HN 0.396 nan 8.210 nan 0.000 0.413 345 Y N 0.674 120.951 120.300 -0.038 0.000 2.207 345 Y HA -0.205 4.345 4.550 -0.000 0.000 0.287 345 Y C 2.918 178.796 175.900 -0.037 0.000 1.156 345 Y CA 0.866 58.954 58.100 -0.019 0.000 1.182 345 Y CB -1.415 37.039 38.460 -0.010 0.000 0.979 345 Y HN 0.105 nan 8.280 nan 0.000 0.521 346 S N 0.022 115.799 115.700 0.128 0.000 2.383 346 S HA -0.122 4.348 4.470 -0.000 0.000 0.227 346 S C 2.134 176.759 174.600 0.040 0.000 1.026 346 S CA 1.062 59.328 58.200 0.110 0.000 0.981 346 S CB -0.576 62.696 63.200 0.120 0.000 0.818 346 S HN 0.358 nan 8.310 nan 0.000 0.472 347 L N 0.934 122.162 121.223 0.008 0.000 2.141 347 L HA -0.020 4.320 4.340 -0.000 0.000 0.209 347 L C 2.103 179.034 176.870 0.102 0.000 1.094 347 L CA 0.807 55.652 54.840 0.008 0.000 0.763 347 L CB -0.477 41.497 42.059 -0.141 0.000 0.908 347 L HN 0.286 nan 8.230 nan 0.000 0.437 348 L N -1.123 120.179 121.223 0.131 0.000 2.093 348 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 348 L C 2.599 179.647 176.870 0.298 0.000 1.085 348 L CA 1.195 56.226 54.840 0.318 0.000 0.755 348 L CB -0.352 41.893 42.059 0.308 0.000 0.904 348 L HN 0.304 nan 8.230 nan 0.000 0.435 349 M N -0.807 118.752 119.600 -0.067 0.000 2.159 349 M HA -0.216 4.263 4.480 -0.000 0.000 0.263 349 M C 2.284 178.496 176.300 -0.147 0.000 1.063 349 M CA 1.561 56.568 55.300 -0.488 0.000 1.110 349 M CB -0.278 31.855 32.600 -0.778 0.000 1.374 349 M HN 0.218 nan 8.290 nan 0.000 0.411 350 L N 0.490 121.698 121.223 -0.026 0.000 2.056 350 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 350 L C 2.233 179.139 176.870 0.060 0.000 1.078 350 L CA 1.953 56.807 54.840 0.023 0.000 0.749 350 L CB -0.511 41.577 42.059 0.048 0.000 0.901 350 L HN 0.201 nan 8.230 nan 0.000 0.433 351 E N -1.391 118.877 120.200 0.113 0.000 2.107 351 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 351 E C 1.754 178.268 176.600 -0.144 0.000 0.982 351 E CA 1.437 57.849 56.400 0.021 0.000 0.809 351 E CB -0.077 29.702 29.700 0.132 0.000 0.756 351 E HN 0.632 nan 8.360 nan 0.000 0.459 352 H N -1.406 117.788 119.070 0.206 0.000 2.586 352 H HA 0.279 4.835 4.556 -0.000 0.000 0.273 352 H C 0.515 175.992 175.328 0.249 0.000 0.997 352 H CA 0.496 56.681 56.048 0.228 0.000 1.177 352 H CB 0.821 30.751 29.762 0.280 0.000 1.471 352 H HN 0.262 nan 8.280 nan 0.000 0.538 353 G N 2.119 111.072 108.800 0.255 0.000 2.351 353 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.297 353 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.297 353 G C -0.317 174.736 174.900 0.256 0.000 1.054 353 G CA 0.653 45.853 45.100 0.166 0.000 1.123 353 G HN 0.466 nan 8.290 nan 0.000 0.512 354 F N -1.742 118.193 119.950 -0.025 0.000 2.686 354 F HA 0.827 5.353 4.527 -0.000 0.000 0.311 354 F C -0.854 174.844 175.800 -0.170 0.000 1.128 354 F CA -2.789 55.169 58.000 -0.070 0.000 0.946 354 F CB 1.066 40.037 39.000 -0.048 0.000 1.336 354 F HN 0.074 nan 8.300 nan 0.000 0.457 355 I N 2.635 123.026 120.570 -0.298 0.000 2.362 355 I HA 0.644 4.814 4.170 -0.000 0.000 0.289 355 I C 0.160 176.131 176.117 -0.243 0.000 0.994 355 I CA -1.048 59.923 61.300 -0.548 0.000 1.158 355 I CB 1.610 39.392 38.000 -0.362 0.000 1.315 355 I HN 0.969 nan 8.210 nan 0.000 0.451 356 A N 8.997 131.602 122.820 -0.359 0.000 2.407 356 A HA 0.571 4.890 4.320 -0.000 0.000 0.248 356 A C -2.393 175.191 177.584 -0.000 0.000 1.082 356 A CA -1.113 50.918 52.037 -0.011 0.000 0.785 356 A CB -0.235 18.742 19.000 -0.038 0.000 1.020 356 A HN 0.422 nan 8.150 nan 0.000 0.489 357 P HA 0.179 nan 4.420 nan 0.000 0.281 357 P C -0.401 176.926 177.300 0.046 0.000 1.249 357 P CA -0.338 62.786 63.100 0.040 0.000 0.810 357 P CB 1.233 32.953 31.700 0.032 0.000 1.008 358 S N 2.104 117.847 115.700 0.071 0.000 2.411 358 S HA 0.349 4.819 4.470 -0.000 0.000 0.304 358 S C 0.634 175.270 174.600 0.059 0.000 1.098 358 S CA -0.711 57.542 58.200 0.087 0.000 1.068 358 S CB -1.442 61.859 63.200 0.169 0.000 1.032 358 S HN 0.325 nan 8.310 nan 0.000 0.511 359 I N 2.040 122.624 120.570 0.023 0.000 2.970 359 I HA 0.509 4.679 4.170 -0.000 0.000 0.310 359 I C 0.441 176.558 176.117 0.000 0.000 1.010 359 I CA -0.570 60.736 61.300 0.009 0.000 1.228 359 I CB 0.397 38.393 38.000 -0.007 0.000 1.433 359 I HN 0.494 nan 8.210 nan 0.000 0.573 360 N N 1.222 119.919 118.700 -0.005 0.000 2.800 360 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 360 N C -0.520 174.988 175.510 -0.004 0.000 1.078 360 N CA 0.967 54.004 53.050 -0.023 0.000 0.804 360 N CB -1.546 36.901 38.487 -0.066 0.000 1.135 360 N HN 0.640 nan 8.380 nan 0.000 0.565 361 I N 1.173 121.760 120.570 0.028 0.000 2.260 361 I HA 0.015 4.185 4.170 -0.000 0.000 0.297 361 I C 1.330 177.476 176.117 0.049 0.000 1.143 361 I CA -0.053 61.278 61.300 0.052 0.000 1.271 361 I CB 0.498 38.547 38.000 0.083 0.000 1.461 361 I HN -0.068 nan 8.210 nan 0.000 0.530 362 E N 3.279 123.512 120.200 0.055 0.000 2.190 362 E HA -0.010 4.340 4.350 -0.000 0.000 0.191 362 E C 0.497 177.144 176.600 0.078 0.000 0.978 362 E CA 0.427 56.866 56.400 0.065 0.000 0.839 362 E CB 0.351 30.096 29.700 0.076 0.000 0.787 362 E HN 0.714 nan 8.360 nan 0.000 0.473 363 E N 0.119 120.371 120.200 0.087 0.000 2.281 363 E HA 0.301 4.651 4.350 -0.000 0.000 0.266 363 E C -1.464 175.163 176.600 0.045 0.000 0.893 363 E CA -0.572 55.871 56.400 0.071 0.000 0.798 363 E CB 1.352 31.113 29.700 0.101 0.000 1.245 363 E HN 0.073 nan 8.360 nan 0.000 0.410 364 L N 4.315 125.562 121.223 0.040 0.000 2.410 364 L HA 0.162 4.502 4.340 -0.000 0.000 0.273 364 L C 0.200 177.085 176.870 0.026 0.000 1.152 364 L CA 0.341 55.206 54.840 0.042 0.000 0.855 364 L CB 0.808 42.882 42.059 0.025 0.000 1.129 364 L HN 0.586 nan 8.230 nan 0.000 0.463 365 D N 3.395 123.821 120.400 0.043 0.000 2.488 365 D HA -0.099 4.541 4.640 -0.000 0.000 0.238 365 D C 0.962 177.271 176.300 0.016 0.000 1.138 365 D CA 0.588 54.604 54.000 0.027 0.000 0.873 365 D CB 0.925 41.768 40.800 0.071 0.000 1.183 365 D HN 0.824 nan 8.370 nan 0.000 0.458 366 E N 2.331 122.535 120.200 0.007 0.000 2.160 366 E HA -0.272 4.078 4.350 -0.000 0.000 0.195 366 E C 1.069 177.673 176.600 0.007 0.000 0.991 366 E CA 1.105 57.509 56.400 0.006 0.000 0.810 366 E CB -0.158 29.546 29.700 0.006 0.000 0.742 366 E HN 0.567 nan 8.360 nan 0.000 0.466 367 Q N -0.063 119.747 119.800 0.016 0.000 2.482 367 Q HA 0.120 4.460 4.340 -0.000 0.000 0.209 367 Q C 1.368 177.368 176.000 0.000 0.000 0.961 367 Q CA 0.624 56.438 55.803 0.017 0.000 0.945 367 Q CB 0.397 29.156 28.738 0.035 0.000 1.012 367 Q HN 0.443 nan 8.270 nan 0.000 0.515 368 A N 0.337 123.147 122.820 -0.017 0.000 2.348 368 A HA 0.448 4.767 4.320 -0.000 0.000 0.224 368 A C 0.827 178.361 177.584 -0.084 0.000 1.227 368 A CA -0.093 51.892 52.037 -0.087 0.000 0.885 368 A CB 0.255 19.177 19.000 -0.129 0.000 0.933 368 A HN 0.253 nan 8.150 nan 0.000 0.506 369 A N -1.004 121.791 122.820 -0.043 0.000 2.445 369 A HA 0.462 4.782 4.320 -0.000 0.000 0.242 369 A C 1.577 179.138 177.584 -0.038 0.000 1.075 369 A CA 0.547 52.564 52.037 -0.034 0.000 0.777 369 A CB -0.477 18.514 19.000 -0.016 0.000 1.013 369 A HN 1.898 nan 8.150 nan 0.000 0.493 370 G N -0.026 108.753 108.800 -0.035 0.000 2.148 370 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.254 370 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.254 370 G C -0.065 174.808 174.900 -0.044 0.000 0.981 370 G CA 0.625 45.707 45.100 -0.031 0.000 0.670 370 G HN 0.792 nan 8.290 nan 0.000 0.528 371 L N -0.370 120.812 121.223 -0.068 0.000 2.330 371 L HA 0.500 4.839 4.340 -0.000 0.000 0.271 371 L C 0.329 177.146 176.870 -0.088 0.000 1.013 371 L CA -1.236 53.549 54.840 -0.091 0.000 0.816 371 L CB 1.629 43.606 42.059 -0.137 0.000 1.287 371 L HN 0.063 nan 8.230 nan 0.000 0.435 372 N N 2.765 121.415 118.700 -0.083 0.000 2.968 372 N HA 0.228 4.967 4.740 -0.000 0.000 0.271 372 N C -0.693 174.779 175.510 -0.064 0.000 1.174 372 N CA -0.087 52.927 53.050 -0.060 0.000 1.096 372 N CB -0.215 38.246 38.487 -0.043 0.000 1.403 372 N HN 0.404 nan 8.380 nan 0.000 0.522 373 I N 2.563 123.084 120.570 -0.080 0.000 2.347 373 I HA 0.080 4.250 4.170 -0.000 0.000 0.294 373 I C 0.060 176.178 176.117 0.001 0.000 1.090 373 I CA -0.708 60.551 61.300 -0.068 0.000 1.314 373 I CB 0.703 38.618 38.000 -0.143 0.000 1.423 373 I HN -0.006 nan 8.210 nan 0.000 0.503 374 V N 6.241 126.178 119.914 0.039 0.000 2.470 374 V HA 0.046 4.166 4.120 -0.000 0.000 0.276 374 V C 1.273 177.398 176.094 0.052 0.000 1.040 374 V CA 0.226 62.552 62.300 0.044 0.000 1.008 374 V CB 0.981 32.838 31.823 0.057 0.000 0.990 374 V HN 0.909 nan 8.190 nan 0.000 0.477 375 T N 0.527 115.104 114.554 0.038 0.000 3.040 375 T HA 0.265 4.615 4.350 -0.000 0.000 0.266 375 T C 0.203 174.921 174.700 0.030 0.000 1.005 375 T CA -0.231 61.892 62.100 0.039 0.000 0.906 375 T CB -0.045 68.845 68.868 0.036 0.000 1.082 375 T HN 0.789 nan 8.240 nan 0.000 0.531 376 E N 0.726 120.942 120.200 0.028 0.000 2.293 376 E HA 0.463 4.813 4.350 -0.000 0.000 0.270 376 E C -1.343 175.277 176.600 0.033 0.000 0.879 376 E CA -1.049 55.365 56.400 0.024 0.000 0.756 376 E CB 1.191 30.901 29.700 0.017 0.000 1.208 376 E HN -0.101 nan 8.360 nan 0.000 0.428 377 T N 2.396 116.974 114.554 0.040 0.000 2.866 377 T HA 0.085 4.435 4.350 -0.000 0.000 0.293 377 T C -0.390 174.349 174.700 0.065 0.000 1.005 377 T CA 0.443 62.588 62.100 0.074 0.000 1.162 377 T CB 0.210 69.108 68.868 0.051 0.000 0.968 377 T HN 0.445 nan 8.240 nan 0.000 0.530 378 T N 4.151 118.760 114.554 0.092 0.000 2.890 378 T HA 0.217 4.567 4.350 -0.000 0.000 0.295 378 T C -0.524 174.234 174.700 0.097 0.000 0.993 378 T CA -0.898 61.239 62.100 0.062 0.000 0.979 378 T CB 1.049 69.934 68.868 0.029 0.000 0.967 378 T HN 0.461 nan 8.240 nan 0.000 0.441 379 D N 3.033 123.483 120.400 0.084 0.000 2.390 379 D HA 0.325 4.965 4.640 -0.000 0.000 0.249 379 D C 0.380 176.717 176.300 0.062 0.000 1.144 379 D CA 0.232 54.291 54.000 0.099 0.000 0.880 379 D CB 0.994 41.831 40.800 0.063 0.000 1.182 379 D HN 0.397 nan 8.370 nan 0.000 0.451 380 R N 1.507 122.044 120.500 0.062 0.000 2.563 380 R HA 0.089 4.429 4.340 -0.000 0.000 0.262 380 R C -1.192 175.124 176.300 0.027 0.000 1.128 380 R CA -0.630 55.487 56.100 0.029 0.000 0.969 380 R CB 1.500 31.804 30.300 0.006 0.000 1.251 380 R HN 0.352 nan 8.270 nan 0.000 0.442 381 E N 5.344 125.558 120.200 0.024 0.000 2.217 381 E HA 0.181 4.531 4.350 -0.000 0.000 0.279 381 E C -0.878 175.730 176.600 0.013 0.000 1.068 381 E CA -0.207 56.205 56.400 0.021 0.000 0.882 381 E CB 0.603 30.314 29.700 0.018 0.000 1.039 381 E HN 0.376 nan 8.360 nan 0.000 0.418 382 L N 3.584 124.813 121.223 0.010 0.000 2.334 382 L HA 0.380 4.719 4.340 -0.000 0.000 0.272 382 L C 0.811 177.692 176.870 0.019 0.000 1.020 382 L CA -0.610 54.237 54.840 0.013 0.000 0.812 382 L CB 1.902 43.962 42.059 0.001 0.000 1.264 382 L HN 0.593 nan 8.230 nan 0.000 0.439 383 T N -1.693 112.876 114.554 0.025 0.000 3.075 383 T HA 0.103 4.453 4.350 -0.000 0.000 0.251 383 T C 0.228 174.946 174.700 0.030 0.000 0.979 383 T CA 0.297 62.411 62.100 0.023 0.000 1.033 383 T CB 0.678 69.558 68.868 0.019 0.000 1.104 383 T HN 0.597 nan 8.240 nan 0.000 0.473 384 T N 2.878 117.455 114.554 0.039 0.000 2.879 384 T HA 0.682 5.032 4.350 -0.000 0.000 0.290 384 T C -0.832 173.903 174.700 0.058 0.000 0.993 384 T CA -0.707 61.420 62.100 0.044 0.000 0.975 384 T CB 2.081 70.975 68.868 0.044 0.000 0.981 384 T HN 0.234 nan 8.240 nan 0.000 0.439 385 V N 1.138 121.088 119.914 0.060 0.000 2.914 385 V HA 0.886 5.006 4.120 -0.000 0.000 0.314 385 V C -0.738 175.370 176.094 0.024 0.000 1.084 385 V CA -1.251 61.090 62.300 0.068 0.000 0.963 385 V CB 2.164 34.078 31.823 0.150 0.000 1.025 385 V HN 0.993 nan 8.190 nan 0.000 0.432 386 M N 3.165 122.743 119.600 -0.036 0.000 2.464 386 M HA 0.774 5.254 4.480 -0.000 0.000 0.308 386 M C -1.051 175.191 176.300 -0.096 0.000 1.127 386 M CA -0.266 55.015 55.300 -0.030 0.000 0.913 386 M CB 2.171 34.786 32.600 0.025 0.000 1.689 386 M HN 1.002 nan 8.290 nan 0.000 0.445 387 S N 3.289 118.947 115.700 -0.071 0.000 2.614 387 S HA 0.587 5.056 4.470 -0.000 0.000 0.288 387 S C -1.506 173.014 174.600 -0.133 0.000 1.137 387 S CA -0.775 57.362 58.200 -0.104 0.000 0.992 387 S CB 1.053 64.202 63.200 -0.085 0.000 1.026 387 S HN 0.859 nan 8.310 nan 0.000 0.486 388 N N 2.134 120.720 118.700 -0.189 0.000 2.443 388 N HA 0.602 5.342 4.740 -0.000 0.000 0.295 388 N C -1.257 173.906 175.510 -0.579 0.000 1.076 388 N CA -0.376 52.445 53.050 -0.383 0.000 0.919 388 N CB 1.898 40.140 38.487 -0.408 0.000 1.176 388 N HN 0.515 nan 8.380 nan 0.000 0.487 389 S N 1.172 116.359 115.700 -0.855 0.000 2.575 389 S HA 0.668 5.137 4.470 -0.000 0.000 0.278 389 S C -1.269 172.642 174.600 -1.148 0.000 1.139 389 S CA -0.603 57.027 58.200 -0.949 0.000 0.954 389 S CB 0.814 63.749 63.200 -0.441 0.000 1.054 389 S HN 0.303 nan 8.310 nan 0.000 0.483 390 F N 0.629 119.999 119.950 -0.967 0.000 2.603 390 F HA 0.889 5.416 4.527 -0.000 0.000 0.317 390 F C 0.700 176.334 175.800 -0.276 0.000 1.066 390 F CA -0.870 56.870 58.000 -0.433 0.000 0.941 390 F CB 1.931 40.770 39.000 -0.267 0.000 1.291 390 F HN 0.729 nan 8.300 nan 0.000 0.472 391 G N 0.176 109.072 108.800 0.160 0.000 2.672 391 G HA2 0.588 4.548 3.960 -0.000 0.000 0.292 391 G HA3 0.588 4.548 3.960 -0.000 0.000 0.292 391 G C -1.565 173.500 174.900 0.275 0.000 1.375 391 G CA -0.742 44.437 45.100 0.130 0.000 0.890 391 G HN 0.209 nan 8.290 nan 0.000 0.476 392 F N 0.447 120.504 119.950 0.179 0.000 2.628 392 F HA 0.353 4.880 4.527 -0.000 0.000 0.362 392 F C 1.756 177.619 175.800 0.105 0.000 1.148 392 F CA 1.097 59.183 58.000 0.143 0.000 1.352 392 F CB 0.514 39.602 39.000 0.146 0.000 1.081 392 F HN 1.160 nan 8.300 nan 0.000 0.605 393 G N 0.491 109.456 108.800 0.275 0.000 2.176 393 G HA2 0.044 4.004 3.960 -0.000 0.000 0.253 393 G HA3 0.044 4.004 3.960 -0.000 0.000 0.253 393 G C 0.867 175.840 174.900 0.122 0.000 0.979 393 G CA 0.343 45.535 45.100 0.154 0.000 0.641 393 G HN 1.969 nan 8.290 nan 0.000 0.530 394 G N -1.084 107.804 108.800 0.146 0.000 2.256 394 G HA2 0.113 4.073 3.960 -0.000 0.000 0.272 394 G HA3 0.113 4.073 3.960 -0.000 0.000 0.272 394 G C 0.293 175.257 174.900 0.106 0.000 1.076 394 G CA 1.316 46.475 45.100 0.099 0.000 0.882 394 G HN 1.960 nan 8.290 nan 0.000 0.497 395 T N 0.286 114.934 114.554 0.157 0.000 2.795 395 T HA 0.597 4.947 4.350 -0.000 0.000 0.282 395 T C -0.079 174.790 174.700 0.281 0.000 0.980 395 T CA -0.594 61.623 62.100 0.195 0.000 1.012 395 T CB 0.419 69.400 68.868 0.190 0.000 0.936 395 T HN 0.315 nan 8.240 nan 0.000 0.457 396 N N 2.823 121.705 118.700 0.303 0.000 2.258 396 N HA 0.709 5.448 4.740 -0.000 0.000 0.299 396 N C -1.278 174.347 175.510 0.192 0.000 1.047 396 N CA -0.591 52.667 53.050 0.347 0.000 0.814 396 N CB 2.104 40.768 38.487 0.294 0.000 1.413 396 N HN 0.763 nan 8.380 nan 0.000 0.478 397 A N 0.755 123.551 122.820 -0.040 0.000 2.449 397 A HA 0.808 5.128 4.320 -0.000 0.000 0.302 397 A C -0.803 176.701 177.584 -0.134 0.000 1.048 397 A CA -0.483 51.439 52.037 -0.193 0.000 0.708 397 A CB 1.371 20.005 19.000 -0.609 0.000 1.274 397 A HN 0.448 nan 8.150 nan 0.000 0.410 398 T N 2.027 116.570 114.554 -0.019 0.000 2.916 398 T HA 0.608 4.957 4.350 -0.000 0.000 0.298 398 T C -0.896 173.845 174.700 0.068 0.000 1.031 398 T CA -0.251 61.843 62.100 -0.010 0.000 0.993 398 T CB 0.971 69.856 68.868 0.030 0.000 1.045 398 T HN 0.504 nan 8.240 nan 0.000 0.454 399 L N 2.514 123.749 121.223 0.020 0.000 2.365 399 L HA 0.811 5.151 4.340 -0.000 0.000 0.273 399 L C -0.840 176.045 176.870 0.025 0.000 1.000 399 L CA -1.139 53.724 54.840 0.038 0.000 0.819 399 L CB 2.070 44.113 42.059 -0.027 0.000 1.284 399 L HN 0.332 nan 8.230 nan 0.000 0.418 400 V N 3.628 123.568 119.914 0.043 0.000 2.487 400 V HA 0.540 4.660 4.120 -0.000 0.000 0.298 400 V C -0.265 175.846 176.094 0.028 0.000 1.028 400 V CA -0.389 61.935 62.300 0.038 0.000 0.860 400 V CB 1.900 33.756 31.823 0.055 0.000 0.991 400 V HN 0.706 nan 8.190 nan 0.000 0.427 401 M N 5.138 124.752 119.600 0.023 0.000 2.395 401 M HA 0.670 5.150 4.480 -0.000 0.000 0.307 401 M C -0.619 175.697 176.300 0.026 0.000 1.091 401 M CA -0.390 54.920 55.300 0.017 0.000 0.919 401 M CB 2.569 35.173 32.600 0.007 0.000 1.662 401 M HN 0.553 nan 8.290 nan 0.000 0.440 402 R N 1.571 122.083 120.500 0.020 0.000 2.621 402 R HA 0.468 4.808 4.340 -0.000 0.000 0.284 402 R C -1.082 175.225 176.300 0.012 0.000 0.998 402 R CA -0.786 55.326 56.100 0.020 0.000 0.895 402 R CB 1.936 32.247 30.300 0.018 0.000 1.195 402 R HN 0.654 nan 8.270 nan 0.000 0.450 403 K N 2.443 122.850 120.400 0.011 0.000 2.527 403 K HA -0.043 4.277 4.320 -0.000 0.000 0.278 403 K C 0.115 176.710 176.600 -0.009 0.000 0.981 403 K CA 0.044 56.331 56.287 -0.001 0.000 1.009 403 K CB 0.408 32.907 32.500 -0.001 0.000 0.895 403 K HN 0.269 nan 8.250 nan 0.000 0.493 404 L N 0.000 121.209 121.223 -0.023 0.000 2.949 404 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 404 L CA 0.000 54.826 54.840 -0.024 0.000 0.813 404 L CB 0.000 42.037 42.059 -0.036 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502