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 2vb7_1_D 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 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 K N 3.280 123.686 120.400 0.010 0.000 2.414 2 K HA 0.311 4.631 4.320 -0.000 0.000 0.272 2 K C -0.629 175.973 176.600 0.004 0.000 0.993 2 K CA 0.103 56.392 56.287 0.005 0.000 0.964 2 K CB 0.421 32.921 32.500 -0.000 0.000 0.925 2 K HN 0.671 nan 8.250 nan 0.000 0.487 3 R N 0.420 120.921 120.500 0.000 0.000 2.474 3 R HA 0.545 4.885 4.340 -0.000 0.000 0.295 3 R C -0.488 175.805 176.300 -0.012 0.000 0.980 3 R CA -0.674 55.425 56.100 -0.002 0.000 0.934 3 R CB 1.694 31.993 30.300 -0.001 0.000 1.101 3 R HN 0.643 nan 8.270 nan 0.000 0.469 4 A N 2.326 125.137 122.820 -0.016 0.000 2.318 4 A HA 0.622 4.942 4.320 -0.000 0.000 0.324 4 A C -0.406 177.158 177.584 -0.032 0.000 1.170 4 A CA -0.665 51.352 52.037 -0.034 0.000 0.810 4 A CB 1.018 19.992 19.000 -0.043 0.000 1.198 4 A HN 0.530 nan 8.150 nan 0.000 0.484 5 V N 0.241 120.131 119.914 -0.039 0.000 3.074 5 V HA 0.749 4.869 4.120 -0.000 0.000 0.314 5 V C -0.460 175.615 176.094 -0.032 0.000 1.117 5 V CA -0.968 61.314 62.300 -0.030 0.000 1.014 5 V CB 1.671 33.476 31.823 -0.029 0.000 1.057 5 V HN 0.678 nan 8.190 nan 0.000 0.438 6 I N 2.467 123.038 120.570 0.001 0.000 2.321 6 I HA 0.465 4.635 4.170 -0.000 0.000 0.291 6 I C 0.935 177.133 176.117 0.135 0.000 0.998 6 I CA -0.001 61.317 61.300 0.030 0.000 1.227 6 I CB 1.975 39.986 38.000 0.018 0.000 1.368 6 I HN 0.979 nan 8.210 nan 0.000 0.466 7 T N 0.578 115.195 114.554 0.105 0.000 3.091 7 T HA 0.442 4.792 4.350 -0.000 0.000 0.277 7 T C 0.339 175.176 174.700 0.228 0.000 0.996 7 T CA -0.393 61.786 62.100 0.132 0.000 0.897 7 T CB 0.495 69.381 68.868 0.030 0.000 1.109 7 T HN 0.747 nan 8.240 nan 0.000 0.534 8 G N 0.863 109.803 108.800 0.234 0.000 2.702 8 G HA2 0.588 4.548 3.960 -0.000 0.000 0.296 8 G HA3 0.588 4.548 3.960 -0.000 0.000 0.296 8 G C -1.954 172.975 174.900 0.050 0.000 1.463 8 G CA -0.961 44.270 45.100 0.217 0.000 0.890 8 G HN 0.344 nan 8.290 nan 0.000 0.534 9 L N 0.141 121.364 121.223 -0.000 0.000 2.350 9 L HA 0.975 5.315 4.340 -0.000 0.000 0.260 9 L C 0.348 177.184 176.870 -0.057 0.000 1.015 9 L CA -1.030 53.744 54.840 -0.110 0.000 0.821 9 L CB 2.650 44.557 42.059 -0.253 0.000 1.370 9 L HN 0.908 nan 8.230 nan 0.000 0.416 10 G N 1.068 109.824 108.800 -0.073 0.000 2.733 10 G HA2 0.741 4.701 3.960 -0.000 0.000 0.297 10 G HA3 0.741 4.701 3.960 -0.000 0.000 0.297 10 G C -2.113 172.753 174.900 -0.057 0.000 1.422 10 G CA -0.396 44.672 45.100 -0.053 0.000 0.942 10 G HN 0.599 nan 8.290 nan 0.000 0.510 11 I N 0.835 121.385 120.570 -0.034 0.000 2.743 11 I HA 0.561 4.731 4.170 -0.000 0.000 0.292 11 I C -1.542 174.562 176.117 -0.021 0.000 1.343 11 I CA -0.840 60.438 61.300 -0.036 0.000 1.038 11 I CB 2.233 40.213 38.000 -0.034 0.000 1.311 11 I HN 0.371 nan 8.210 nan 0.000 0.426 12 V N 6.548 126.436 119.914 -0.043 0.000 2.409 12 V HA 0.672 4.792 4.120 -0.000 0.000 0.290 12 V C -0.297 175.704 176.094 -0.155 0.000 1.017 12 V CA -0.222 62.027 62.300 -0.086 0.000 0.841 12 V CB 1.455 33.231 31.823 -0.079 0.000 1.003 12 V HN 0.808 nan 8.190 nan 0.000 0.426 13 S N 2.301 117.933 115.700 -0.113 0.000 2.651 13 S HA 0.436 4.906 4.470 -0.000 0.000 0.279 13 S C 1.040 175.580 174.600 -0.099 0.000 1.148 13 S CA 0.089 58.237 58.200 -0.086 0.000 0.837 13 S CB 1.842 65.076 63.200 0.056 0.000 1.138 13 S HN 0.924 nan 8.310 nan 0.000 0.478 14 S N 0.569 116.218 115.700 -0.085 0.000 2.469 14 S HA -0.091 4.379 4.470 -0.000 0.000 0.238 14 S C 1.457 176.027 174.600 -0.051 0.000 0.998 14 S CA 1.090 59.242 58.200 -0.081 0.000 0.957 14 S CB -1.136 62.028 63.200 -0.059 0.000 0.764 14 S HN 1.085 nan 8.310 nan 0.000 0.514 15 I N -2.679 117.866 120.570 -0.041 0.000 3.976 15 I HA 0.664 4.834 4.170 -0.000 0.000 0.337 15 I C 0.595 176.689 176.117 -0.038 0.000 1.359 15 I CA -0.331 60.937 61.300 -0.052 0.000 1.098 15 I CB 0.265 38.203 38.000 -0.104 0.000 1.027 15 I HN 0.307 nan 8.210 nan 0.000 0.394 16 G N 1.006 109.790 108.800 -0.026 0.000 2.358 16 G HA2 0.044 4.004 3.960 -0.000 0.000 0.301 16 G HA3 0.044 4.004 3.960 -0.000 0.000 0.301 16 G C -0.927 173.962 174.900 -0.017 0.000 1.539 16 G CA -0.615 44.474 45.100 -0.019 0.000 0.893 16 G HN -0.016 nan 8.290 nan 0.000 0.636 17 N N 0.130 118.822 118.700 -0.015 0.000 2.280 17 N HA 0.131 4.871 4.740 -0.000 0.000 0.192 17 N C 0.312 175.823 175.510 0.002 0.000 1.109 17 N CA 0.572 53.614 53.050 -0.012 0.000 0.855 17 N CB 0.314 38.797 38.487 -0.006 0.000 0.974 17 N HN 0.803 nan 8.380 nan 0.000 0.482 18 N N -1.559 117.145 118.700 0.006 0.000 3.116 18 N HA -0.021 4.719 4.740 -0.000 0.000 0.244 18 N C 0.388 175.909 175.510 0.020 0.000 1.485 18 N CA -0.628 52.430 53.050 0.012 0.000 0.884 18 N CB 0.443 38.938 38.487 0.013 0.000 1.415 18 N HN -0.136 nan 8.380 nan 0.000 0.524 19 Q N -1.031 118.785 119.800 0.026 0.000 2.224 19 Q HA -0.122 4.218 4.340 -0.000 0.000 0.203 19 Q C 0.702 176.718 176.000 0.027 0.000 0.970 19 Q CA 1.572 57.399 55.803 0.041 0.000 0.865 19 Q CB -0.318 28.452 28.738 0.054 0.000 0.922 19 Q HN 0.652 nan 8.270 nan 0.000 0.445 20 Q N 1.285 121.091 119.800 0.010 0.000 2.046 20 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 20 Q C 1.849 177.827 176.000 -0.036 0.000 0.975 20 Q CA 1.870 57.660 55.803 -0.021 0.000 0.836 20 Q CB 0.029 28.757 28.738 -0.015 0.000 0.896 20 Q HN 0.540 nan 8.270 nan 0.000 0.428 21 E N -0.109 120.078 120.200 -0.021 0.000 2.077 21 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 21 E C 2.055 178.637 176.600 -0.031 0.000 0.989 21 E CA 1.404 57.788 56.400 -0.028 0.000 0.800 21 E CB -0.095 29.594 29.700 -0.018 0.000 0.746 21 E HN 0.116 nan 8.360 nan 0.000 0.452 22 V N 1.591 121.502 119.914 -0.004 0.000 2.287 22 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 22 V C 2.357 178.446 176.094 -0.009 0.000 1.053 22 V CA 1.560 63.866 62.300 0.011 0.000 1.027 22 V CB -0.465 31.419 31.823 0.102 0.000 0.646 22 V HN 0.231 nan 8.190 nan 0.000 0.447 23 L N 0.965 122.184 121.223 -0.007 0.000 2.013 23 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 23 L C 2.434 179.220 176.870 -0.140 0.000 1.073 23 L CA 2.569 57.380 54.840 -0.050 0.000 0.753 23 L CB -1.010 40.960 42.059 -0.148 0.000 0.890 23 L HN 0.238 nan 8.230 nan 0.000 0.432 24 A N -1.623 121.118 122.820 -0.133 0.000 1.902 24 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 24 A C 2.386 179.896 177.584 -0.124 0.000 1.181 24 A CA 2.003 53.954 52.037 -0.143 0.000 0.623 24 A CB -0.996 17.941 19.000 -0.105 0.000 0.818 24 A HN 0.543 nan 8.150 nan 0.000 0.443 25 S N -0.132 115.511 115.700 -0.095 0.000 2.368 25 S HA -0.086 4.384 4.470 -0.000 0.000 0.225 25 S C 1.838 176.381 174.600 -0.095 0.000 1.030 25 S CA 1.410 59.556 58.200 -0.090 0.000 0.999 25 S CB -0.458 62.689 63.200 -0.089 0.000 0.844 25 S HN 0.500 nan 8.310 nan 0.000 0.459 26 L N 0.893 122.065 121.223 -0.084 0.000 2.017 26 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 26 L C 2.714 179.594 176.870 0.017 0.000 1.073 26 L CA 1.316 56.151 54.840 -0.008 0.000 0.745 26 L CB -0.433 41.715 42.059 0.148 0.000 0.894 26 L HN 0.219 nan 8.230 nan 0.000 0.432 27 R N -0.486 119.902 120.500 -0.187 0.000 2.120 27 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 27 R C 2.169 178.373 176.300 -0.160 0.000 1.123 27 R CA 1.424 57.321 56.100 -0.338 0.000 0.975 27 R CB -0.168 29.812 30.300 -0.533 0.000 0.866 27 R HN 0.243 nan 8.270 nan 0.000 0.446 28 E N -0.804 119.325 120.200 -0.119 0.000 2.442 28 E HA 0.069 4.419 4.350 -0.000 0.000 0.195 28 E C 0.999 177.569 176.600 -0.051 0.000 1.030 28 E CA 0.423 56.775 56.400 -0.080 0.000 0.869 28 E CB 0.492 30.147 29.700 -0.075 0.000 0.857 28 E HN 0.693 nan 8.360 nan 0.000 0.505 29 G N 2.168 110.943 108.800 -0.042 0.000 2.249 29 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.273 29 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.273 29 G C 0.259 175.136 174.900 -0.039 0.000 1.036 29 G CA 0.701 45.783 45.100 -0.031 0.000 0.824 29 G HN 0.432 nan 8.290 nan 0.000 0.504 30 R N 0.159 120.628 120.500 -0.050 0.000 2.340 30 R HA 0.510 4.850 4.340 -0.000 0.000 0.300 30 R C 0.745 177.018 176.300 -0.044 0.000 1.069 30 R CA 0.246 56.320 56.100 -0.043 0.000 0.984 30 R CB 0.589 30.861 30.300 -0.046 0.000 1.003 30 R HN 0.247 nan 8.270 nan 0.000 0.459 31 S N 2.064 117.749 115.700 -0.026 0.000 2.565 31 S HA 0.233 4.703 4.470 -0.000 0.000 0.276 31 S C 0.886 175.481 174.600 -0.008 0.000 1.326 31 S CA -0.181 58.009 58.200 -0.016 0.000 1.045 31 S CB 1.120 64.321 63.200 0.002 0.000 0.918 31 S HN 0.802 nan 8.310 nan 0.000 0.505 32 G N 4.006 112.802 108.800 -0.007 0.000 3.337 32 G HA2 0.240 4.200 3.960 -0.000 0.000 0.246 32 G HA3 0.240 4.200 3.960 -0.000 0.000 0.246 32 G C 0.056 174.983 174.900 0.045 0.000 1.131 32 G CA -0.225 44.877 45.100 0.004 0.000 0.773 32 G HN 0.593 nan 8.290 nan 0.000 0.544 33 I N 2.410 123.021 120.570 0.069 0.000 2.353 33 I HA 0.410 4.580 4.170 -0.000 0.000 0.293 33 I C 0.525 176.742 176.117 0.166 0.000 0.992 33 I CA -0.574 60.803 61.300 0.128 0.000 1.268 33 I CB 0.676 38.742 38.000 0.111 0.000 1.387 33 I HN 0.062 nan 8.210 nan 0.000 0.478 34 T N 2.569 117.279 114.554 0.261 0.000 2.901 34 T HA 0.541 4.891 4.350 -0.000 0.000 0.293 34 T C -0.467 174.392 174.700 0.265 0.000 1.084 34 T CA -0.729 61.534 62.100 0.273 0.000 1.008 34 T CB 1.768 70.814 68.868 0.297 0.000 1.170 34 T HN 0.205 nan 8.240 nan 0.000 0.509 35 F N 1.745 121.741 119.950 0.077 0.000 2.518 35 F HA 0.520 5.047 4.527 -0.000 0.000 0.359 35 F C 0.494 176.196 175.800 -0.163 0.000 1.118 35 F CA -0.020 57.968 58.000 -0.022 0.000 1.287 35 F CB 0.793 39.792 39.000 -0.002 0.000 1.132 35 F HN 0.685 nan 8.300 nan 0.000 0.587 36 S N 4.911 119.769 115.700 -1.402 0.000 2.669 36 S HA 0.193 4.663 4.470 -0.000 0.000 0.315 36 S C 0.517 174.208 174.600 -1.515 0.000 1.106 36 S CA -0.681 56.602 58.200 -1.528 0.000 1.107 36 S CB 1.251 63.131 63.200 -2.200 0.000 0.990 36 S HN 0.882 nan 8.310 nan 0.000 0.471 37 Q N 3.364 122.568 119.800 -0.994 0.000 2.170 37 Q HA -0.101 4.239 4.340 -0.000 0.000 0.203 37 Q C 1.749 177.489 176.000 -0.434 0.000 0.976 37 Q CA 2.256 57.741 55.803 -0.530 0.000 0.858 37 Q CB -0.145 28.524 28.738 -0.114 0.000 0.907 37 Q HN 0.908 nan 8.270 nan 0.000 0.433 38 E N -0.470 119.472 120.200 -0.430 0.000 2.058 38 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 38 E C 1.808 178.236 176.600 -0.288 0.000 0.997 38 E CA 1.415 57.661 56.400 -0.256 0.000 0.801 38 E CB -0.196 29.469 29.700 -0.058 0.000 0.746 38 E HN 0.466 nan 8.360 nan 0.000 0.450 39 L N 0.508 121.457 121.223 -0.457 0.000 2.046 39 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 39 L C 2.853 179.565 176.870 -0.264 0.000 1.077 39 L CA 1.439 56.123 54.840 -0.260 0.000 0.747 39 L CB -0.521 41.370 42.059 -0.280 0.000 0.896 39 L HN 0.149 nan 8.230 nan 0.000 0.432 40 K N 0.336 120.449 120.400 -0.479 0.000 2.026 40 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 40 K C 1.699 178.089 176.600 -0.350 0.000 1.048 40 K CA 1.803 57.722 56.287 -0.614 0.000 0.929 40 K CB 0.016 32.079 32.500 -0.730 0.000 0.713 40 K HN 0.183 nan 8.250 nan 0.000 0.439 41 D N 0.053 120.274 120.400 -0.298 0.000 2.178 41 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 41 D C 1.868 177.994 176.300 -0.290 0.000 0.980 41 D CA 1.499 55.352 54.000 -0.244 0.000 0.842 41 D CB -0.172 40.498 40.800 -0.217 0.000 0.948 41 D HN 0.350 nan 8.370 nan 0.000 0.472 42 S N -0.869 114.624 115.700 -0.345 0.000 2.515 42 S HA 0.102 4.572 4.470 -0.000 0.000 0.231 42 S C 1.766 176.212 174.600 -0.256 0.000 0.987 42 S CA 1.057 58.983 58.200 -0.457 0.000 0.936 42 S CB 0.089 63.000 63.200 -0.481 0.000 0.766 42 S HN 0.331 nan 8.310 nan 0.000 0.528 43 G N 0.538 109.245 108.800 -0.155 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 0.031 174.941 174.900 0.016 0.000 0.982 43 G CA 0.137 45.198 45.100 -0.065 0.000 0.650 43 G HN 0.504 nan 8.290 nan 0.000 0.527 44 M N -0.380 119.245 119.600 0.042 0.000 2.232 44 M HA 0.327 4.807 4.480 -0.000 0.000 0.321 44 M C 1.893 178.307 176.300 0.190 0.000 1.101 44 M CA 0.259 55.626 55.300 0.111 0.000 1.181 44 M CB 0.435 33.110 32.600 0.125 0.000 1.432 44 M HN 0.203 nan 8.290 nan 0.000 0.457 45 R N -0.186 120.366 120.500 0.086 0.000 2.173 45 R HA 0.080 4.420 4.340 -0.000 0.000 0.208 45 R C 0.488 176.645 176.300 -0.239 0.000 1.035 45 R CA 0.264 56.342 56.100 -0.038 0.000 1.004 45 R CB 0.189 30.465 30.300 -0.039 0.000 0.917 45 R HN 0.550 nan 8.270 nan 0.000 0.462 46 S N 0.532 116.188 115.700 -0.072 0.000 2.430 46 S HA 0.124 4.594 4.470 -0.000 0.000 0.289 46 S C -0.141 174.489 174.600 0.050 0.000 1.143 46 S CA -0.581 57.574 58.200 -0.076 0.000 1.067 46 S CB 0.274 63.464 63.200 -0.017 0.000 0.964 46 S HN 0.338 nan 8.310 nan 0.000 0.485 47 H N 3.001 122.045 119.070 -0.043 0.000 2.469 47 H HA 0.350 4.906 4.556 -0.000 0.000 0.286 47 H C -0.040 175.142 175.328 -0.243 0.000 1.106 47 H CA -0.627 55.319 56.048 -0.170 0.000 1.055 47 H CB 0.442 30.199 29.762 -0.008 0.000 1.618 47 H HN 0.447 nan 8.280 nan 0.000 0.559 48 V N -1.777 118.122 119.914 -0.023 0.000 2.876 48 V HA 0.630 4.750 4.120 -0.000 0.000 0.312 48 V C -1.401 174.783 176.094 0.149 0.000 1.085 48 V CA -0.964 61.356 62.300 0.033 0.000 0.945 48 V CB 2.192 34.095 31.823 0.133 0.000 1.017 48 V HN 0.397 nan 8.190 nan 0.000 0.428 49 W N 1.333 122.656 121.300 0.039 0.000 3.066 49 W HA 0.818 5.478 4.660 -0.000 0.000 0.330 49 W C -0.299 176.240 176.519 0.034 0.000 1.253 49 W CA -1.708 55.658 57.345 0.036 0.000 1.187 49 W CB 0.899 30.374 29.460 0.024 0.000 1.434 49 W HN 1.046 nan 8.180 nan 0.000 0.572 50 G N 3.566 112.475 108.800 0.182 0.000 3.058 50 G HA2 0.305 4.265 3.960 -0.000 0.000 0.316 50 G HA3 0.305 4.265 3.960 -0.000 0.000 0.316 50 G C -0.285 174.494 174.900 -0.202 0.000 0.951 50 G CA -0.629 44.480 45.100 0.015 0.000 1.535 50 G HN 0.569 nan 8.290 nan 0.000 0.500 51 N N 0.938 119.436 118.700 -0.336 0.000 2.513 51 N HA 0.173 4.913 4.740 -0.000 0.000 0.274 51 N C -0.229 175.096 175.510 -0.308 0.000 1.189 51 N CA -0.575 52.142 53.050 -0.555 0.000 0.975 51 N CB 1.898 39.943 38.487 -0.736 0.000 1.157 51 N HN -0.041 nan 8.380 nan 0.000 0.465 52 V N 1.510 121.221 119.914 -0.338 0.000 2.470 52 V HA 0.064 4.184 4.120 -0.000 0.000 0.276 52 V C 0.569 176.577 176.094 -0.143 0.000 1.040 52 V CA -0.251 61.886 62.300 -0.273 0.000 1.008 52 V CB -0.029 31.515 31.823 -0.464 0.000 0.990 52 V HN 0.610 nan 8.190 nan 0.000 0.477 53 K N 5.675 126.022 120.400 -0.089 0.000 2.403 53 K HA 0.561 4.881 4.320 -0.000 0.000 0.235 53 K C -0.940 175.652 176.600 -0.013 0.000 1.142 53 K CA -0.195 56.073 56.287 -0.031 0.000 1.114 53 K CB 0.497 32.989 32.500 -0.013 0.000 1.777 53 K HN 0.427 nan 8.250 nan 0.000 0.424 54 L N 0.852 122.075 121.223 0.001 0.000 2.543 54 L HA 0.321 4.661 4.340 -0.000 0.000 0.265 54 L C -1.764 175.132 176.870 0.044 0.000 0.945 54 L CA -0.570 54.284 54.840 0.023 0.000 0.869 54 L CB 1.930 44.004 42.059 0.026 0.000 1.294 54 L HN 0.196 nan 8.230 nan 0.000 0.405 55 D N 2.138 122.560 120.400 0.038 0.000 2.365 55 D HA 0.210 4.850 4.640 -0.000 0.000 0.237 55 D C 0.959 177.283 176.300 0.039 0.000 1.190 55 D CA 0.448 54.470 54.000 0.037 0.000 0.867 55 D CB 1.333 42.150 40.800 0.028 0.000 1.050 55 D HN 0.701 nan 8.370 nan 0.000 0.491 56 T N -0.071 114.510 114.554 0.045 0.000 3.129 56 T HA 0.019 4.369 4.350 -0.000 0.000 0.251 56 T C 0.803 175.505 174.700 0.004 0.000 1.117 56 T CA -0.252 61.871 62.100 0.038 0.000 1.034 56 T CB -0.433 68.464 68.868 0.049 0.000 0.968 56 T HN 0.259 nan 8.240 nan 0.000 0.526 57 T N 2.589 117.143 114.554 -0.001 0.000 2.866 57 T HA 0.372 4.722 4.350 -0.000 0.000 0.293 57 T C 1.554 176.243 174.700 -0.019 0.000 1.005 57 T CA 0.936 63.026 62.100 -0.017 0.000 1.162 57 T CB -0.146 68.717 68.868 -0.009 0.000 0.968 57 T HN 0.771 nan 8.240 nan 0.000 0.530 58 G N 2.731 111.508 108.800 -0.039 0.000 2.189 58 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.267 58 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.267 58 G C 0.852 175.735 174.900 -0.028 0.000 0.975 58 G CA 0.405 45.483 45.100 -0.038 0.000 0.644 58 G HN 0.704 nan 8.290 nan 0.000 0.537 59 L N -0.547 120.664 121.223 -0.019 0.000 2.395 59 L HA 0.337 4.677 4.340 -0.000 0.000 0.218 59 L C 1.251 178.121 176.870 -0.000 0.000 1.130 59 L CA 0.707 55.554 54.840 0.013 0.000 0.826 59 L CB -0.042 42.044 42.059 0.046 0.000 0.941 59 L HN 0.294 nan 8.230 nan 0.000 0.451 60 I N -0.915 119.599 120.570 -0.094 0.000 2.509 60 I HA 0.204 4.374 4.170 -0.000 0.000 0.293 60 I C -0.637 175.360 176.117 -0.200 0.000 1.020 60 I CA -1.021 60.145 61.300 -0.223 0.000 1.088 60 I CB 1.938 39.656 38.000 -0.469 0.000 1.267 60 I HN -0.162 nan 8.210 nan 0.000 0.430 61 D N 3.191 123.483 120.400 -0.180 0.000 2.506 61 D HA -0.066 4.574 4.640 -0.000 0.000 0.234 61 D C 1.348 177.544 176.300 -0.173 0.000 1.143 61 D CA 0.183 54.100 54.000 -0.139 0.000 0.871 61 D CB 0.936 41.673 40.800 -0.106 0.000 1.190 61 D HN 0.350 nan 8.370 nan 0.000 0.459 62 R N 2.238 122.651 120.500 -0.145 0.000 2.103 62 R HA -0.171 4.169 4.340 -0.000 0.000 0.242 62 R C 2.049 178.220 176.300 -0.214 0.000 1.142 62 R CA 1.754 57.751 56.100 -0.173 0.000 0.960 62 R CB -0.526 29.693 30.300 -0.134 0.000 0.858 62 R HN 0.395 nan 8.270 nan 0.000 0.439 63 K N -0.629 119.678 120.400 -0.155 0.000 2.432 63 K HA 0.161 4.481 4.320 -0.000 0.000 0.196 63 K C 2.024 178.576 176.600 -0.079 0.000 1.038 63 K CA 1.040 57.248 56.287 -0.131 0.000 0.986 63 K CB -0.196 32.279 32.500 -0.042 0.000 0.782 63 K HN 0.437 nan 8.250 nan 0.000 0.485 64 V N -0.809 119.036 119.914 -0.116 0.000 2.575 64 V HA 0.036 4.156 4.120 -0.000 0.000 0.242 64 V C 2.005 178.000 176.094 -0.164 0.000 1.045 64 V CA 1.006 63.255 62.300 -0.085 0.000 1.065 64 V CB 0.230 31.915 31.823 -0.231 0.000 0.717 64 V HN 0.252 nan 8.190 nan 0.000 0.467 65 V N 2.242 121.980 119.914 -0.293 0.000 2.970 65 V HA -0.153 3.967 4.120 -0.000 0.000 0.260 65 V C 2.730 178.594 176.094 -0.383 0.000 1.100 65 V CA 1.810 63.914 62.300 -0.327 0.000 1.122 65 V CB -0.605 31.031 31.823 -0.312 0.000 0.721 65 V HN 0.688 nan 8.190 nan 0.000 0.483 66 R N -1.008 119.169 120.500 -0.537 0.000 2.193 66 R HA -0.127 4.213 4.340 -0.000 0.000 0.229 66 R C 1.780 177.501 176.300 -0.965 0.000 1.110 66 R CA 1.923 57.488 56.100 -0.891 0.000 0.988 66 R CB -0.687 28.856 30.300 -1.261 0.000 0.871 66 R HN 0.484 nan 8.270 nan 0.000 0.458 67 F N 0.905 120.609 119.950 -0.411 0.000 2.789 67 F HA 0.325 4.852 4.527 -0.000 0.000 0.300 67 F C 0.928 176.575 175.800 -0.254 0.000 1.132 67 F CA 0.088 57.945 58.000 -0.239 0.000 1.404 67 F CB 0.120 39.050 39.000 -0.116 0.000 1.114 67 F HN -0.112 nan 8.300 nan 0.000 0.584 68 M N 0.034 119.523 119.600 -0.185 0.000 2.300 68 M HA 0.293 4.773 4.480 -0.000 0.000 0.348 68 M C 0.481 176.595 176.300 -0.311 0.000 1.151 68 M CA -0.632 54.553 55.300 -0.193 0.000 1.046 68 M CB 1.665 34.154 32.600 -0.186 0.000 1.647 68 M HN 0.003 nan 8.290 nan 0.000 0.451 69 S N 0.440 115.999 115.700 -0.235 0.000 2.686 69 S HA 0.269 4.739 4.470 -0.000 0.000 0.270 69 S C 0.413 174.936 174.600 -0.128 0.000 1.194 69 S CA -0.694 57.424 58.200 -0.137 0.000 0.990 69 S CB 0.887 64.101 63.200 0.024 0.000 1.029 69 S HN 0.664 nan 8.310 nan 0.000 0.560 70 D N 0.919 121.250 120.400 -0.116 0.000 2.144 70 D HA -0.005 4.635 4.640 -0.000 0.000 0.199 70 D C 2.184 178.175 176.300 -0.515 0.000 0.984 70 D CA 1.635 55.384 54.000 -0.420 0.000 0.834 70 D CB -0.872 39.673 40.800 -0.426 0.000 0.955 70 D HN 0.668 nan 8.370 nan 0.000 0.465 71 A N 0.452 123.164 122.820 -0.180 0.000 1.908 71 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 71 A C 2.444 180.018 177.584 -0.017 0.000 1.181 71 A CA 1.959 53.978 52.037 -0.030 0.000 0.627 71 A CB -0.568 18.455 19.000 0.039 0.000 0.818 71 A HN 0.175 nan 8.150 nan 0.000 0.445 72 S N -0.301 115.375 115.700 -0.041 0.000 2.368 72 S HA -0.074 4.396 4.470 -0.000 0.000 0.224 72 S C 1.796 176.414 174.600 0.029 0.000 1.029 72 S CA 1.303 59.512 58.200 0.014 0.000 0.988 72 S CB -0.485 62.713 63.200 -0.004 0.000 0.838 72 S HN 0.540 nan 8.310 nan 0.000 0.462 73 I N 0.509 121.015 120.570 -0.106 0.000 2.163 73 I HA -0.246 3.924 4.170 -0.000 0.000 0.243 73 I C 2.084 178.253 176.117 0.087 0.000 1.085 73 I CA 1.450 62.695 61.300 -0.090 0.000 1.347 73 I CB -0.461 37.391 38.000 -0.246 0.000 1.044 73 I HN 0.269 nan 8.210 nan 0.000 0.408 74 Y N 0.672 121.012 120.300 0.066 0.000 2.200 74 Y HA -0.124 4.426 4.550 -0.000 0.000 0.290 74 Y C 2.632 178.573 175.900 0.069 0.000 1.137 74 Y CA 0.655 58.787 58.100 0.053 0.000 1.163 74 Y CB -1.327 37.142 38.460 0.015 0.000 0.988 74 Y HN 0.114 nan 8.280 nan 0.000 0.518 75 A N -0.432 122.520 122.820 0.220 0.000 1.930 75 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 75 A C 2.173 179.847 177.584 0.150 0.000 1.175 75 A CA 1.310 53.432 52.037 0.141 0.000 0.627 75 A CB -1.289 17.775 19.000 0.107 0.000 0.815 75 A HN 0.430 nan 8.150 nan 0.000 0.443 76 F N 0.645 120.645 119.950 0.083 0.000 2.102 76 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 76 F C 1.911 177.794 175.800 0.138 0.000 1.105 76 F CA 1.713 59.803 58.000 0.150 0.000 1.239 76 F CB -0.261 38.807 39.000 0.114 0.000 0.991 76 F HN 0.136 nan 8.300 nan 0.000 0.474 77 L N -0.574 120.871 121.223 0.369 0.000 2.042 77 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 77 L C 2.529 179.433 176.870 0.058 0.000 1.076 77 L CA 1.537 56.513 54.840 0.226 0.000 0.749 77 L CB -1.020 41.177 42.059 0.230 0.000 0.893 77 L HN 0.093 nan 8.230 nan 0.000 0.432 78 S N -0.375 115.351 115.700 0.042 0.000 2.368 78 S HA -0.245 4.225 4.470 -0.000 0.000 0.225 78 S C 1.921 176.446 174.600 -0.125 0.000 1.030 78 S CA 1.706 59.889 58.200 -0.029 0.000 0.999 78 S CB -0.268 62.921 63.200 -0.017 0.000 0.844 78 S HN 0.354 nan 8.310 nan 0.000 0.459 79 M N 1.474 120.939 119.600 -0.225 0.000 2.117 79 M HA -0.124 4.356 4.480 -0.000 0.000 0.262 79 M C 2.032 178.011 176.300 -0.534 0.000 1.065 79 M CA 1.475 56.479 55.300 -0.494 0.000 1.114 79 M CB -0.186 31.921 32.600 -0.821 0.000 1.361 79 M HN 0.236 nan 8.290 nan 0.000 0.408 80 E N -0.164 119.814 120.200 -0.370 0.000 2.070 80 E HA -0.284 4.066 4.350 -0.000 0.000 0.197 80 E C 2.053 178.575 176.600 -0.129 0.000 1.004 80 E CA 1.851 58.135 56.400 -0.192 0.000 0.805 80 E CB -0.238 29.429 29.700 -0.055 0.000 0.744 80 E HN 0.678 nan 8.360 nan 0.000 0.451 81 Q N -0.024 119.723 119.800 -0.088 0.000 2.061 81 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 81 Q C 2.210 178.180 176.000 -0.051 0.000 0.984 81 Q CA 1.453 57.230 55.803 -0.043 0.000 0.846 81 Q CB -0.186 28.538 28.738 -0.024 0.000 0.902 81 Q HN 0.239 nan 8.270 nan 0.000 0.421 82 A N 0.621 123.388 122.820 -0.089 0.000 1.930 82 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 82 A C 2.009 179.575 177.584 -0.030 0.000 1.175 82 A CA 0.992 53.001 52.037 -0.047 0.000 0.627 82 A CB -0.535 18.438 19.000 -0.044 0.000 0.815 82 A HN 0.299 nan 8.150 nan 0.000 0.443 83 I N -0.312 120.174 120.570 -0.140 0.000 2.179 83 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 83 I C 2.982 179.077 176.117 -0.037 0.000 1.088 83 I CA 1.091 62.303 61.300 -0.146 0.000 1.357 83 I CB -0.280 37.475 38.000 -0.409 0.000 1.051 83 I HN 0.361 nan 8.210 nan 0.000 0.409 84 A N 0.197 123.001 122.820 -0.026 0.000 1.877 84 A HA -0.302 4.018 4.320 -0.000 0.000 0.216 84 A C 2.003 179.607 177.584 0.034 0.000 1.186 84 A CA 2.309 54.357 52.037 0.017 0.000 0.620 84 A CB -0.775 18.236 19.000 0.018 0.000 0.822 84 A HN 0.441 nan 8.150 nan 0.000 0.443 85 D N -0.386 120.039 120.400 0.042 0.000 2.218 85 D HA 0.014 4.654 4.640 -0.000 0.000 0.204 85 D C 1.786 178.149 176.300 0.105 0.000 0.976 85 D CA 1.276 55.325 54.000 0.082 0.000 0.853 85 D CB -0.118 40.751 40.800 0.114 0.000 0.939 85 D HN 0.353 nan 8.370 nan 0.000 0.481 86 A N -0.710 122.161 122.820 0.086 0.000 2.123 86 A HA 0.388 4.708 4.320 -0.000 0.000 0.214 86 A C 1.875 179.500 177.584 0.069 0.000 1.152 86 A CA 1.005 53.093 52.037 0.085 0.000 0.728 86 A CB -0.486 18.549 19.000 0.059 0.000 0.814 86 A HN 0.431 nan 8.150 nan 0.000 0.464 87 G N -1.061 107.776 108.800 0.061 0.000 2.176 87 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.252 87 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.252 87 G C -0.040 174.908 174.900 0.081 0.000 1.024 87 G CA 0.383 45.519 45.100 0.059 0.000 0.755 87 G HN 0.446 nan 8.290 nan 0.000 0.507 88 L N 0.635 121.920 121.223 0.103 0.000 2.334 88 L HA 0.670 5.010 4.340 -0.000 0.000 0.277 88 L C 0.570 177.592 176.870 0.254 0.000 1.075 88 L CA -0.562 54.386 54.840 0.180 0.000 0.804 88 L CB 1.789 43.967 42.059 0.198 0.000 1.174 88 L HN 0.162 nan 8.230 nan 0.000 0.438 89 S N 2.003 117.873 115.700 0.283 0.000 2.607 89 S HA 0.407 4.877 4.470 -0.000 0.000 0.303 89 S C -1.901 172.792 174.600 0.155 0.000 1.086 89 S CA -1.084 57.261 58.200 0.241 0.000 0.995 89 S CB 2.131 65.399 63.200 0.113 0.000 1.084 89 S HN 0.374 nan 8.310 nan 0.000 0.507 90 P HA -0.198 nan 4.420 nan 0.000 0.216 90 P C 1.496 178.592 177.300 -0.341 0.000 1.154 90 P CA 0.908 63.736 63.100 -0.455 0.000 0.865 90 P CB 0.140 31.709 31.700 -0.218 0.000 0.789 91 E N -0.188 119.930 120.200 -0.137 0.000 2.171 91 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 91 E C 1.670 178.232 176.600 -0.063 0.000 0.997 91 E CA 1.798 58.146 56.400 -0.087 0.000 0.810 91 E CB -0.389 29.290 29.700 -0.034 0.000 0.738 91 E HN 0.164 nan 8.360 nan 0.000 0.467 92 A N -0.293 122.516 122.820 -0.017 0.000 1.956 92 A HA -0.060 4.260 4.320 -0.000 0.000 0.212 92 A C 1.739 179.396 177.584 0.121 0.000 1.188 92 A CA 0.983 53.066 52.037 0.077 0.000 0.675 92 A CB -0.372 18.717 19.000 0.148 0.000 0.845 92 A HN 0.479 nan 8.150 nan 0.000 0.455 93 Y N -1.327 119.019 120.300 0.077 0.000 2.444 93 Y HA 0.447 4.997 4.550 -0.000 0.000 0.252 93 Y C 0.677 176.617 175.900 0.067 0.000 1.091 93 Y CA -0.602 57.562 58.100 0.107 0.000 1.276 93 Y CB -0.162 38.430 38.460 0.219 0.000 1.170 93 Y HN 0.170 nan 8.280 nan 0.000 0.517 94 Q N 1.920 121.412 119.800 -0.514 0.000 2.259 94 Q HA 0.199 4.539 4.340 -0.000 0.000 0.246 94 Q C -0.273 175.546 176.000 -0.302 0.000 0.920 94 Q CA -0.470 55.108 55.803 -0.375 0.000 0.895 94 Q CB 0.526 28.992 28.738 -0.453 0.000 1.220 94 Q HN 0.349 nan 8.270 nan 0.000 0.439 95 N N 1.787 120.195 118.700 -0.487 0.000 2.721 95 N HA -0.196 4.543 4.740 -0.000 0.000 0.249 95 N C -1.182 174.122 175.510 -0.343 0.000 1.072 95 N CA 0.779 53.331 53.050 -0.830 0.000 0.710 95 N CB -1.105 37.130 38.487 -0.419 0.000 0.993 95 N HN 0.572 nan 8.380 nan 0.000 0.547 96 N N 0.052 118.652 118.700 -0.167 0.000 2.524 96 N HA 0.340 5.080 4.740 -0.000 0.000 0.261 96 N C -2.051 173.520 175.510 0.101 0.000 0.998 96 N CA -1.883 51.174 53.050 0.012 0.000 0.915 96 N CB 1.552 40.052 38.487 0.021 0.000 1.187 96 N HN -0.184 nan 8.380 nan 0.000 0.507 97 P HA -0.010 nan 4.420 nan 0.000 0.223 97 P C 0.668 178.006 177.300 0.064 0.000 1.144 97 P CA 0.874 64.047 63.100 0.121 0.000 0.783 97 P CB 0.358 32.111 31.700 0.089 0.000 0.771 98 R N -1.072 119.451 120.500 0.038 0.000 2.334 98 R HA 0.188 4.528 4.340 -0.000 0.000 0.220 98 R C -0.057 176.219 176.300 -0.039 0.000 0.917 98 R CA 0.168 56.263 56.100 -0.009 0.000 1.073 98 R CB 0.060 30.344 30.300 -0.026 0.000 1.056 98 R HN 0.144 nan 8.270 nan 0.000 0.506 99 V N 0.190 120.111 119.914 0.011 0.000 2.487 99 V HA 0.636 4.756 4.120 -0.000 0.000 0.298 99 V C 0.422 176.554 176.094 0.063 0.000 1.028 99 V CA -0.773 61.535 62.300 0.013 0.000 0.860 99 V CB 1.814 33.704 31.823 0.111 0.000 0.991 99 V HN 0.294 nan 8.190 nan 0.000 0.427 100 G N 3.093 111.903 108.800 0.017 0.000 3.042 100 G HA2 0.803 4.763 3.960 -0.000 0.000 0.278 100 G HA3 0.803 4.763 3.960 -0.000 0.000 0.278 100 G C -1.885 173.056 174.900 0.068 0.000 1.371 100 G CA -0.740 44.373 45.100 0.021 0.000 1.009 100 G HN 0.685 nan 8.290 nan 0.000 0.523 101 L N -0.406 120.808 121.223 -0.015 0.000 2.516 101 L HA 0.713 5.053 4.340 -0.000 0.000 0.267 101 L C -1.499 175.290 176.870 -0.134 0.000 0.957 101 L CA -0.523 54.317 54.840 0.000 0.000 0.860 101 L CB 1.705 43.782 42.059 0.030 0.000 1.265 101 L HN 0.443 nan 8.230 nan 0.000 0.403 102 I N 5.318 125.819 120.570 -0.115 0.000 2.476 102 I HA 0.820 4.990 4.170 -0.000 0.000 0.281 102 I C -0.490 175.609 176.117 -0.030 0.000 1.040 102 I CA -0.401 60.816 61.300 -0.138 0.000 1.094 102 I CB 1.649 39.552 38.000 -0.161 0.000 1.219 102 I HN 0.814 nan 8.210 nan 0.000 0.450 103 A N 4.324 127.150 122.820 0.010 0.000 2.547 103 A HA 0.943 5.263 4.320 -0.000 0.000 0.297 103 A C -0.704 176.914 177.584 0.057 0.000 1.056 103 A CA -0.421 51.632 52.037 0.027 0.000 0.688 103 A CB 1.832 20.841 19.000 0.014 0.000 1.282 103 A HN 0.753 nan 8.150 nan 0.000 0.400 104 G N -0.550 108.285 108.800 0.059 0.000 2.788 104 G HA2 0.751 4.711 3.960 -0.000 0.000 0.293 104 G HA3 0.751 4.711 3.960 -0.000 0.000 0.293 104 G C -0.910 174.029 174.900 0.064 0.000 1.392 104 G CA 0.194 45.338 45.100 0.072 0.000 0.810 104 G HN 1.499 nan 8.290 nan 0.000 0.508 105 S N -2.322 113.418 115.700 0.068 0.000 2.595 105 S HA 0.630 5.100 4.470 -0.000 0.000 0.281 105 S C 1.139 175.780 174.600 0.068 0.000 1.117 105 S CA 0.446 58.684 58.200 0.064 0.000 0.873 105 S CB 1.446 64.686 63.200 0.066 0.000 1.108 105 S HN 1.314 nan 8.310 nan 0.000 0.477 106 G N 1.007 109.845 108.800 0.062 0.000 2.426 106 G HA2 0.188 4.148 3.960 -0.000 0.000 0.214 106 G HA3 0.188 4.148 3.960 -0.000 0.000 0.214 106 G C 0.975 175.932 174.900 0.095 0.000 1.156 106 G CA 0.677 45.822 45.100 0.075 0.000 0.802 106 G HN 0.967 nan 8.290 nan 0.000 0.534 107 G N -1.137 107.721 108.800 0.095 0.000 3.062 107 G HA2 0.444 4.404 3.960 -0.000 0.000 0.228 107 G HA3 0.444 4.404 3.960 -0.000 0.000 0.228 107 G C 1.091 176.040 174.900 0.083 0.000 1.094 107 G CA 0.828 45.989 45.100 0.103 0.000 0.782 107 G HN 1.147 nan 8.290 nan 0.000 0.541 108 G N 0.195 109.041 108.800 0.077 0.000 2.543 108 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.286 108 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.286 108 G C 0.326 175.274 174.900 0.080 0.000 1.153 108 G CA 0.633 45.777 45.100 0.074 0.000 0.968 108 G HN 1.342 nan 8.290 nan 0.000 0.544 109 S N 1.595 117.350 115.700 0.092 0.000 2.383 109 S HA 0.645 5.115 4.470 -0.000 0.000 0.196 109 S C -1.261 173.391 174.600 0.088 0.000 1.364 109 S CA 0.041 58.309 58.200 0.115 0.000 1.212 109 S CB 1.651 64.978 63.200 0.212 0.000 1.171 109 S HN 0.305 nan 8.310 nan 0.000 0.456 110 P HA -0.130 nan 4.420 nan 0.000 0.216 110 P C 1.513 178.760 177.300 -0.088 0.000 1.150 110 P CA 0.752 63.837 63.100 -0.024 0.000 0.843 110 P CB 0.134 31.803 31.700 -0.050 0.000 0.787 111 R N -1.001 119.420 120.500 -0.131 0.000 2.083 111 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 111 R C 1.867 178.008 176.300 -0.264 0.000 1.137 111 R CA 1.723 57.659 56.100 -0.273 0.000 0.951 111 R CB -0.890 29.201 30.300 -0.348 0.000 0.851 111 R HN 0.087 nan 8.270 nan 0.000 0.434 112 F N 0.516 120.480 119.950 0.023 0.000 2.456 112 F HA 0.015 4.542 4.527 -0.000 0.000 0.298 112 F C 2.506 178.400 175.800 0.156 0.000 1.104 112 F CA 0.906 58.968 58.000 0.104 0.000 1.435 112 F CB -0.267 38.759 39.000 0.044 0.000 1.078 112 F HN 0.145 nan 8.300 nan 0.000 0.546 113 Q N 0.352 120.279 119.800 0.212 0.000 2.050 113 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 113 Q C 2.215 178.271 176.000 0.093 0.000 0.980 113 Q CA 1.956 57.841 55.803 0.137 0.000 0.840 113 Q CB -0.425 28.360 28.738 0.078 0.000 0.898 113 Q HN 0.241 nan 8.270 nan 0.000 0.424 114 V N 0.466 120.403 119.914 0.039 0.000 2.427 114 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 114 V C 1.935 178.051 176.094 0.037 0.000 1.051 114 V CA 1.723 64.028 62.300 0.007 0.000 1.048 114 V CB -0.779 31.002 31.823 -0.071 0.000 0.666 114 V HN 0.452 nan 8.190 nan 0.000 0.456 115 F N 2.282 122.195 119.950 -0.062 0.000 2.095 115 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 115 F C 2.191 178.020 175.800 0.047 0.000 1.104 115 F CA 1.855 59.838 58.000 -0.029 0.000 1.232 115 F CB -0.904 38.039 39.000 -0.094 0.000 0.987 115 F HN 0.132 nan 8.300 nan 0.000 0.475 116 G N -0.148 108.670 108.800 0.030 0.000 2.446 116 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 116 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 116 G C 1.803 176.620 174.900 -0.139 0.000 1.168 116 G CA 0.989 46.050 45.100 -0.064 0.000 0.771 116 G HN 0.659 nan 8.290 nan 0.000 0.551 117 A N 0.944 123.724 122.820 -0.068 0.000 1.898 117 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 117 A C 2.108 179.639 177.584 -0.089 0.000 1.181 117 A CA 2.071 54.075 52.037 -0.055 0.000 0.620 117 A CB -0.398 18.593 19.000 -0.014 0.000 0.819 117 A HN 0.274 nan 8.150 nan 0.000 0.442 118 D N 0.212 120.542 120.400 -0.116 0.000 2.117 118 D HA -0.051 4.589 4.640 -0.000 0.000 0.197 118 D C 2.210 178.404 176.300 -0.177 0.000 0.987 118 D CA 1.534 55.467 54.000 -0.113 0.000 0.829 118 D CB -0.434 40.319 40.800 -0.079 0.000 0.961 118 D HN 0.419 nan 8.370 nan 0.000 0.460 119 A N 0.600 123.213 122.820 -0.344 0.000 1.873 119 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 119 A C 2.150 179.626 177.584 -0.180 0.000 1.186 119 A CA 1.680 53.511 52.037 -0.344 0.000 0.616 119 A CB -0.534 18.089 19.000 -0.629 0.000 0.823 119 A HN 0.165 nan 8.150 nan 0.000 0.442 120 M N -0.049 119.460 119.600 -0.151 0.000 2.159 120 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 120 M C 1.840 178.105 176.300 -0.058 0.000 1.063 120 M CA 1.498 56.748 55.300 -0.082 0.000 1.110 120 M CB -0.393 32.171 32.600 -0.059 0.000 1.374 120 M HN 0.359 nan 8.290 nan 0.000 0.411 121 R N -0.034 120.430 120.500 -0.060 0.000 2.307 121 R HA 0.166 4.506 4.340 -0.000 0.000 0.199 121 R C 1.090 177.369 176.300 -0.034 0.000 1.000 121 R CA 0.364 56.441 56.100 -0.038 0.000 1.023 121 R CB -0.451 29.832 30.300 -0.029 0.000 0.908 121 R HN 0.474 nan 8.270 nan 0.000 0.473 122 G N 1.029 109.803 108.800 -0.044 0.000 2.543 122 G HA2 0.157 4.117 3.960 -0.000 0.000 0.290 122 G HA3 0.157 4.117 3.960 -0.000 0.000 0.290 122 G C -1.631 173.255 174.900 -0.024 0.000 1.310 122 G CA -1.028 44.053 45.100 -0.032 0.000 1.025 122 G HN -0.096 nan 8.290 nan 0.000 0.502 123 P HA -0.008 nan 4.420 nan 0.000 0.222 123 P C 1.295 178.589 177.300 -0.010 0.000 1.147 123 P CA 0.818 63.912 63.100 -0.010 0.000 0.790 123 P CB 0.284 31.981 31.700 -0.005 0.000 0.780 124 R N -1.132 119.360 120.500 -0.013 0.000 2.312 124 R HA 0.251 4.591 4.340 -0.000 0.000 0.205 124 R C 1.602 177.893 176.300 -0.015 0.000 0.904 124 R CA 0.476 56.570 56.100 -0.009 0.000 1.052 124 R CB -0.236 30.062 30.300 -0.002 0.000 1.014 124 R HN 0.129 nan 8.270 nan 0.000 0.503 125 G N 2.077 110.862 108.800 -0.025 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 0.840 175.724 174.900 -0.027 0.000 1.286 125 G CA 0.579 45.663 45.100 -0.027 0.000 1.004 125 G HN 0.217 nan 8.290 nan 0.000 0.548 126 L N 0.508 121.720 121.223 -0.017 0.000 2.079 126 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 126 L C 3.004 179.871 176.870 -0.006 0.000 1.081 126 L CA 2.228 57.060 54.840 -0.012 0.000 0.752 126 L CB -0.483 41.570 42.059 -0.010 0.000 0.896 126 L HN 0.534 nan 8.230 nan 0.000 0.433 127 K N -0.006 120.392 120.400 -0.003 0.000 2.148 127 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 127 K C 2.226 178.840 176.600 0.023 0.000 1.050 127 K CA 1.250 57.541 56.287 0.007 0.000 0.942 127 K CB -0.234 32.269 32.500 0.006 0.000 0.724 127 K HN 0.289 nan 8.250 nan 0.000 0.446 128 A N 0.939 123.765 122.820 0.010 0.000 1.968 128 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 128 A C 2.334 179.936 177.584 0.031 0.000 1.169 128 A CA 1.018 53.064 52.037 0.016 0.000 0.638 128 A CB -0.444 18.533 19.000 -0.039 0.000 0.812 128 A HN 0.047 nan 8.150 nan 0.000 0.446 129 V N -0.494 119.418 119.914 -0.003 0.000 2.261 129 V HA 0.175 4.295 4.120 -0.000 0.000 0.246 129 V C 1.675 177.878 176.094 0.180 0.000 1.047 129 V CA 1.249 63.574 62.300 0.042 0.000 1.015 129 V CB -1.925 29.905 31.823 0.011 0.000 0.642 129 V HN 1.252 nan 8.190 nan 0.000 0.446 130 G N 0.396 109.248 108.800 0.088 0.000 2.829 130 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.628 130 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.628 130 G C -1.548 173.325 174.900 -0.044 0.000 1.412 130 G CA -0.071 45.054 45.100 0.041 0.000 0.864 130 G HN 0.330 nan 8.290 nan 0.000 0.544 131 P HA 0.170 nan 4.420 nan 0.000 0.255 131 P C 0.371 177.444 177.300 -0.379 0.000 1.248 131 P CA 0.876 63.761 63.100 -0.358 0.000 0.807 131 P CB 0.033 31.418 31.700 -0.525 0.000 1.150 132 Y N -1.442 118.865 120.300 0.012 0.000 2.467 132 Y HA 0.100 4.650 4.550 -0.000 0.000 0.250 132 Y C 2.276 178.166 175.900 -0.016 0.000 1.155 132 Y CA -0.141 57.944 58.100 -0.024 0.000 1.249 132 Y CB -0.469 37.882 38.460 -0.182 0.000 1.146 132 Y HN -0.281 nan 8.280 nan 0.000 0.524 133 V N -1.107 118.901 119.914 0.157 0.000 2.427 133 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 133 V C 2.112 178.276 176.094 0.118 0.000 1.051 133 V CA 1.591 63.986 62.300 0.158 0.000 1.048 133 V CB -0.761 31.212 31.823 0.251 0.000 0.666 133 V HN 0.231 nan 8.190 nan 0.000 0.456 134 V N 1.226 121.202 119.914 0.104 0.000 2.287 134 V HA -0.280 3.839 4.120 -0.000 0.000 0.248 134 V C 2.814 178.956 176.094 0.080 0.000 1.053 134 V CA 2.652 65.002 62.300 0.084 0.000 1.027 134 V CB -1.394 30.469 31.823 0.066 0.000 0.646 134 V HN 0.817 nan 8.190 nan 0.000 0.447 135 T N -1.911 112.706 114.554 0.105 0.000 2.951 135 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 135 T C 1.772 176.498 174.700 0.043 0.000 1.073 135 T CA 1.225 63.378 62.100 0.089 0.000 1.134 135 T CB -0.258 68.710 68.868 0.166 0.000 0.884 135 T HN 0.466 nan 8.240 nan 0.000 0.479 136 K N 1.257 121.655 120.400 -0.003 0.000 2.062 136 K HA 0.278 4.598 4.320 -0.000 0.000 0.205 136 K C 2.553 179.168 176.600 0.025 0.000 1.051 136 K CA 1.115 57.340 56.287 -0.104 0.000 0.941 136 K CB -0.174 32.074 32.500 -0.421 0.000 0.719 136 K HN 0.440 nan 8.250 nan 0.000 0.440 137 A N 1.504 124.373 122.820 0.081 0.000 2.169 137 A HA 0.124 4.444 4.320 -0.000 0.000 0.210 137 A C 1.102 178.737 177.584 0.084 0.000 1.168 137 A CA -0.225 51.881 52.037 0.116 0.000 0.813 137 A CB -0.295 18.794 19.000 0.149 0.000 0.861 137 A HN 0.284 nan 8.150 nan 0.000 0.481 138 M N -2.062 117.579 119.600 0.067 0.000 2.240 138 M HA 0.594 5.074 4.480 -0.000 0.000 0.333 138 M C 1.006 177.340 176.300 0.057 0.000 1.110 138 M CA 0.292 55.627 55.300 0.058 0.000 1.173 138 M CB 0.677 33.307 32.600 0.049 0.000 1.458 138 M HN 0.009 nan 8.290 nan 0.000 0.458 139 A N 1.538 124.391 122.820 0.055 0.000 1.978 139 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 139 A C 2.045 179.666 177.584 0.062 0.000 1.170 139 A CA 2.072 54.144 52.037 0.058 0.000 0.636 139 A CB -1.049 17.983 19.000 0.053 0.000 0.810 139 A HN 1.001 nan 8.150 nan 0.000 0.448 140 S N -0.848 114.888 115.700 0.060 0.000 2.634 140 S HA 0.293 4.763 4.470 -0.000 0.000 0.221 140 S C 1.649 176.285 174.600 0.059 0.000 0.952 140 S CA 0.588 58.828 58.200 0.067 0.000 0.930 140 S CB -0.348 62.895 63.200 0.071 0.000 0.780 140 S HN 0.604 nan 8.310 nan 0.000 0.498 141 G N 2.217 111.048 108.800 0.052 0.000 2.513 141 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 141 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 141 G C 1.301 176.230 174.900 0.048 0.000 1.160 141 G CA 1.272 46.397 45.100 0.042 0.000 0.767 141 G HN 0.484 nan 8.290 nan 0.000 0.571 142 V N 1.718 121.666 119.914 0.057 0.000 2.343 142 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 142 V C 3.279 179.416 176.094 0.072 0.000 1.051 142 V CA 2.478 64.817 62.300 0.066 0.000 1.036 142 V CB -0.477 31.385 31.823 0.065 0.000 0.654 142 V HN 0.644 nan 8.190 nan 0.000 0.451 143 S N 0.942 116.682 115.700 0.066 0.000 2.357 143 S HA -0.088 4.382 4.470 -0.000 0.000 0.221 143 S C 2.167 176.804 174.600 0.061 0.000 1.031 143 S CA 1.152 59.388 58.200 0.060 0.000 0.982 143 S CB -0.620 62.616 63.200 0.060 0.000 0.853 143 S HN 0.547 nan 8.310 nan 0.000 0.458 144 A N 0.930 123.779 122.820 0.050 0.000 1.883 144 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 144 A C 2.411 180.003 177.584 0.014 0.000 1.186 144 A CA 1.685 53.736 52.037 0.023 0.000 0.624 144 A CB -1.536 17.466 19.000 0.003 0.000 0.822 144 A HN 0.702 nan 8.150 nan 0.000 0.444 145 C N -1.327 117.995 119.300 0.036 0.000 2.472 145 C HA 0.170 4.630 4.460 -0.000 0.000 0.278 145 C C 2.279 177.351 174.990 0.137 0.000 1.447 145 C CA 0.653 59.698 59.018 0.046 0.000 1.773 145 C CB -1.237 26.533 27.740 0.051 0.000 1.793 145 C HN 0.532 nan 8.230 nan 0.000 0.544 146 L N 0.389 121.724 121.223 0.187 0.000 2.362 146 L HA 0.260 4.600 4.340 -0.000 0.000 0.204 146 L C 2.638 179.692 176.870 0.306 0.000 1.060 146 L CA 1.586 56.629 54.840 0.337 0.000 0.827 146 L CB -1.208 41.009 42.059 0.264 0.000 1.027 146 L HN 0.154 nan 8.230 nan 0.000 0.474 147 A N -0.763 122.157 122.820 0.167 0.000 1.933 147 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 147 A C 2.286 179.954 177.584 0.140 0.000 1.175 147 A CA 2.391 54.516 52.037 0.145 0.000 0.628 147 A CB -0.986 18.067 19.000 0.089 0.000 0.814 147 A HN 0.423 nan 8.150 nan 0.000 0.444 148 T N 0.630 115.233 114.554 0.082 0.000 2.614 148 T HA -0.079 4.271 4.350 -0.000 0.000 0.263 148 T C -0.052 174.668 174.700 0.033 0.000 1.055 148 T CA 1.667 63.786 62.100 0.032 0.000 1.162 148 T CB -1.208 67.624 68.868 -0.060 0.000 0.863 148 T HN 0.509 nan 8.240 nan 0.000 0.414 149 P HA 0.003 nan 4.420 nan 0.000 0.219 149 P C 0.805 178.018 177.300 -0.145 0.000 1.150 149 P CA 1.044 64.097 63.100 -0.079 0.000 0.814 149 P CB -0.264 31.377 31.700 -0.099 0.000 0.787 150 F N 0.449 120.448 119.950 0.082 0.000 2.811 150 F HA 0.192 4.719 4.527 -0.000 0.000 0.301 150 F C 1.047 176.894 175.800 0.079 0.000 1.151 150 F CA 0.163 58.211 58.000 0.081 0.000 1.412 150 F CB -0.605 38.378 39.000 -0.028 0.000 1.113 150 F HN -0.165 nan 8.300 nan 0.000 0.579 151 K N 0.606 121.105 120.400 0.166 0.000 3.096 151 K HA -0.186 4.134 4.320 -0.000 0.000 0.266 151 K C -0.515 176.130 176.600 0.075 0.000 1.043 151 K CA 0.016 56.345 56.287 0.071 0.000 0.758 151 K CB -1.743 30.728 32.500 -0.048 0.000 1.260 151 K HN 0.109 nan 8.250 nan 0.000 0.481 152 I N 1.192 121.873 120.570 0.184 0.000 2.471 152 I HA 0.010 4.180 4.170 -0.000 0.000 0.286 152 I C 1.787 178.080 176.117 0.293 0.000 1.079 152 I CA 0.499 61.921 61.300 0.202 0.000 1.398 152 I CB 0.585 38.694 38.000 0.181 0.000 1.403 152 I HN 0.269 nan 8.210 nan 0.000 0.530 153 H N 3.395 122.508 119.070 0.071 0.000 2.740 153 H HA 0.166 4.722 4.556 -0.000 0.000 0.265 153 H C 1.372 176.719 175.328 0.031 0.000 0.978 153 H CA 0.014 56.087 56.048 0.043 0.000 1.198 153 H CB 1.326 31.109 29.762 0.034 0.000 1.467 153 H HN 0.765 nan 8.280 nan 0.000 0.511 154 G N 0.736 109.622 108.800 0.143 0.000 2.735 154 G HA2 0.139 4.099 3.960 -0.000 0.000 0.192 154 G HA3 0.139 4.099 3.960 -0.000 0.000 0.192 154 G C -0.133 174.781 174.900 0.023 0.000 1.547 154 G CA -0.377 44.761 45.100 0.063 0.000 1.080 154 G HN 0.075 nan 8.290 nan 0.000 0.569 155 V N 0.942 120.839 119.914 -0.028 0.000 2.872 155 V HA 0.345 4.465 4.120 -0.000 0.000 0.307 155 V C -0.295 175.701 176.094 -0.163 0.000 1.072 155 V CA 0.281 62.519 62.300 -0.104 0.000 1.148 155 V CB 1.236 32.941 31.823 -0.197 0.000 0.954 155 V HN 0.838 nan 8.190 nan 0.000 0.490 156 N N 4.765 123.350 118.700 -0.192 0.000 2.699 156 N HA 0.429 5.169 4.740 -0.000 0.000 0.271 156 N C -1.381 174.106 175.510 -0.039 0.000 1.216 156 N CA -0.483 52.492 53.050 -0.124 0.000 0.844 156 N CB 1.026 39.516 38.487 0.005 0.000 1.462 156 N HN 0.653 nan 8.380 nan 0.000 0.555 157 Y N -0.957 119.364 120.300 0.035 0.000 2.779 157 Y HA 0.698 5.248 4.550 -0.000 0.000 0.340 157 Y C -1.160 174.758 175.900 0.031 0.000 1.252 157 Y CA -1.196 56.922 58.100 0.029 0.000 1.072 157 Y CB 0.324 38.798 38.460 0.023 0.000 1.343 157 Y HN 0.114 nan 8.280 nan 0.000 0.450 158 S N 1.266 117.161 115.700 0.325 0.000 2.501 158 S HA 0.739 5.209 4.470 -0.000 0.000 0.301 158 S C -0.728 174.007 174.600 0.225 0.000 1.096 158 S CA -0.706 57.623 58.200 0.214 0.000 1.063 158 S CB 0.821 64.100 63.200 0.130 0.000 1.042 158 S HN 0.514 nan 8.310 nan 0.000 0.494 159 I N 2.650 123.333 120.570 0.188 0.000 2.460 159 I HA 0.438 4.608 4.170 -0.000 0.000 0.298 159 I C 0.005 176.189 176.117 0.111 0.000 0.989 159 I CA -0.421 60.960 61.300 0.135 0.000 1.173 159 I CB 1.855 39.947 38.000 0.153 0.000 1.338 159 I HN 0.642 nan 8.210 nan 0.000 0.456 160 S N 2.624 118.376 115.700 0.086 0.000 2.521 160 S HA 0.680 5.150 4.470 -0.000 0.000 0.295 160 S C -0.293 174.366 174.600 0.098 0.000 1.098 160 S CA -0.555 57.701 58.200 0.093 0.000 0.999 160 S CB 1.736 64.984 63.200 0.079 0.000 1.034 160 S HN 0.673 nan 8.310 nan 0.000 0.483 161 S N 0.645 116.426 115.700 0.135 0.000 2.589 161 S HA 0.641 5.111 4.470 -0.000 0.000 0.210 161 S C 0.633 175.330 174.600 0.161 0.000 0.803 161 S CA -0.181 58.117 58.200 0.164 0.000 1.061 161 S CB -0.553 62.808 63.200 0.268 0.000 1.637 161 S HN 2.289 nan 8.310 nan 0.000 0.462 162 A N 0.857 123.750 122.820 0.122 0.000 5.391 162 A HA -0.350 3.970 4.320 -0.000 0.000 0.315 162 A C 1.742 179.354 177.584 0.046 0.000 1.874 162 A CA 1.324 53.410 52.037 0.081 0.000 0.714 162 A CB -2.284 16.775 19.000 0.099 0.000 1.335 162 A HN 1.546 nan 8.150 nan 0.000 0.382 163 C N 0.152 119.463 119.300 0.019 0.000 2.422 163 C HA 0.295 4.755 4.460 -0.000 0.000 0.286 163 C C 2.774 177.797 174.990 0.055 0.000 1.412 163 C CA 1.302 60.369 59.018 0.081 0.000 1.786 163 C CB -1.975 25.888 27.740 0.205 0.000 1.835 163 C HN 1.468 nan 8.230 nan 0.000 0.533 164 A N 0.145 122.997 122.820 0.053 0.000 2.308 164 A HA 0.124 4.444 4.320 -0.000 0.000 0.217 164 A C 1.929 179.538 177.584 0.042 0.000 1.216 164 A CA 0.905 52.934 52.037 -0.012 0.000 0.864 164 A CB -0.632 18.361 19.000 -0.010 0.000 0.902 164 A HN 0.462 nan 8.150 nan 0.000 0.499 165 T N 1.356 115.972 114.554 0.102 0.000 2.565 165 T HA -0.241 4.109 4.350 -0.000 0.000 0.265 165 T C 2.241 176.993 174.700 0.087 0.000 1.082 165 T CA 2.604 64.778 62.100 0.125 0.000 1.173 165 T CB -0.401 68.518 68.868 0.085 0.000 0.864 165 T HN 0.789 nan 8.240 nan 0.000 0.425 166 S N 1.160 116.872 115.700 0.020 0.000 2.496 166 S HA 0.322 4.792 4.470 -0.000 0.000 0.224 166 S C 2.255 176.823 174.600 -0.053 0.000 0.996 166 S CA 0.597 58.790 58.200 -0.011 0.000 0.927 166 S CB -0.278 62.902 63.200 -0.033 0.000 0.774 166 S HN 0.527 nan 8.310 nan 0.000 0.524 167 A N 2.466 125.234 122.820 -0.086 0.000 1.872 167 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 167 A C 2.126 179.633 177.584 -0.128 0.000 1.187 167 A CA 1.260 53.211 52.037 -0.143 0.000 0.614 167 A CB -1.005 17.876 19.000 -0.199 0.000 0.826 167 A HN 0.599 nan 8.150 nan 0.000 0.442 168 H N -0.708 118.379 119.070 0.030 0.000 2.421 168 H HA -0.129 4.427 4.556 -0.000 0.000 0.298 168 H C 2.391 177.699 175.328 -0.034 0.000 1.087 168 H CA 1.379 57.463 56.048 0.061 0.000 1.330 168 H CB -0.631 29.208 29.762 0.127 0.000 1.388 168 H HN 0.535 nan 8.280 nan 0.000 0.526 169 C N 0.622 119.975 119.300 0.088 0.000 2.413 169 C HA -0.123 4.337 4.460 -0.000 0.000 0.276 169 C C 3.008 177.953 174.990 -0.076 0.000 1.248 169 C CA 0.574 59.608 59.018 0.028 0.000 1.742 169 C CB -1.102 26.650 27.740 0.020 0.000 2.017 169 C HN 0.434 nan 8.230 nan 0.000 0.481 170 I N 1.066 121.555 120.570 -0.135 0.000 2.226 170 I HA -0.114 4.056 4.170 -0.000 0.000 0.245 170 I C 2.733 178.643 176.117 -0.346 0.000 1.100 170 I CA 1.816 62.994 61.300 -0.202 0.000 1.374 170 I CB -0.936 36.951 38.000 -0.187 0.000 1.057 170 I HN 0.445 nan 8.210 nan 0.000 0.413 171 G N 0.404 108.828 108.800 -0.626 0.000 2.418 171 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 171 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 171 G C 1.449 175.959 174.900 -0.650 0.000 1.158 171 G CA 0.923 45.160 45.100 -1.439 0.000 0.771 171 G HN 0.427 nan 8.290 nan 0.000 0.545 172 N N 0.814 119.365 118.700 -0.249 0.000 2.244 172 N HA -0.065 4.675 4.740 -0.000 0.000 0.183 172 N C 2.551 178.041 175.510 -0.034 0.000 1.016 172 N CA 0.923 53.972 53.050 -0.001 0.000 0.866 172 N CB -0.106 38.455 38.487 0.122 0.000 0.980 172 N HN 0.261 nan 8.380 nan 0.000 0.430 173 A N 0.853 123.613 122.820 -0.100 0.000 1.883 173 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 173 A C 2.400 179.923 177.584 -0.101 0.000 1.186 173 A CA 1.294 53.266 52.037 -0.108 0.000 0.624 173 A CB -0.865 18.054 19.000 -0.134 0.000 0.822 173 A HN 0.182 nan 8.150 nan 0.000 0.444 174 V N 0.210 120.049 119.914 -0.126 0.000 2.332 174 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 174 V C 2.406 178.487 176.094 -0.021 0.000 1.055 174 V CA 2.429 64.680 62.300 -0.082 0.000 1.038 174 V CB -0.948 30.817 31.823 -0.096 0.000 0.651 174 V HN 0.662 nan 8.190 nan 0.000 0.450 175 E N -0.579 119.627 120.200 0.009 0.000 2.110 175 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 175 E C 2.393 179.011 176.600 0.031 0.000 0.988 175 E CA 1.121 57.556 56.400 0.058 0.000 0.804 175 E CB -0.166 29.600 29.700 0.110 0.000 0.745 175 E HN 0.565 nan 8.360 nan 0.000 0.458 176 Q N 0.208 120.014 119.800 0.009 0.000 2.084 176 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 176 Q C 2.270 178.257 176.000 -0.021 0.000 0.978 176 Q CA 1.002 56.803 55.803 -0.003 0.000 0.844 176 Q CB -0.204 28.518 28.738 -0.028 0.000 0.898 176 Q HN 0.283 nan 8.270 nan 0.000 0.426 177 I N 1.214 121.762 120.570 -0.038 0.000 2.179 177 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 177 I C 2.365 178.472 176.117 -0.017 0.000 1.088 177 I CA 1.359 62.634 61.300 -0.043 0.000 1.357 177 I CB -0.710 37.255 38.000 -0.059 0.000 1.051 177 I HN 0.218 nan 8.210 nan 0.000 0.409 178 Q N -0.290 119.509 119.800 -0.001 0.000 2.170 178 Q HA -0.120 4.220 4.340 -0.000 0.000 0.203 178 Q C 2.128 178.137 176.000 0.015 0.000 0.976 178 Q CA 1.166 56.977 55.803 0.013 0.000 0.858 178 Q CB -0.214 28.542 28.738 0.031 0.000 0.907 178 Q HN 0.459 nan 8.270 nan 0.000 0.433 179 L N -0.766 120.467 121.223 0.016 0.000 2.610 179 L HA 0.082 4.422 4.340 -0.000 0.000 0.232 179 L C 1.201 178.076 176.870 0.010 0.000 1.149 179 L CA 0.426 55.276 54.840 0.017 0.000 0.872 179 L CB -0.130 41.944 42.059 0.024 0.000 0.992 179 L HN 0.421 nan 8.230 nan 0.000 0.447 180 G N 0.108 108.909 108.800 0.001 0.000 2.148 180 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.254 180 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.254 180 G C 1.026 175.922 174.900 -0.006 0.000 0.981 180 G CA 0.629 45.727 45.100 -0.003 0.000 0.670 180 G HN 0.394 nan 8.290 nan 0.000 0.528 181 K N -0.859 119.538 120.400 -0.006 0.000 2.243 181 K HA 0.098 4.418 4.320 -0.000 0.000 0.201 181 K C 0.966 177.554 176.600 -0.020 0.000 1.051 181 K CA 0.834 57.118 56.287 -0.004 0.000 0.970 181 K CB 0.055 32.560 32.500 0.008 0.000 0.755 181 K HN 0.427 nan 8.250 nan 0.000 0.465 182 Q N -0.293 119.481 119.800 -0.043 0.000 2.421 182 Q HA 0.135 4.475 4.340 -0.000 0.000 0.280 182 Q C -0.529 175.398 176.000 -0.121 0.000 1.085 182 Q CA -0.360 55.397 55.803 -0.076 0.000 0.807 182 Q CB 1.999 30.684 28.738 -0.088 0.000 1.405 182 Q HN -0.049 nan 8.270 nan 0.000 0.419 183 D N 0.346 120.635 120.400 -0.186 0.000 2.277 183 D HA 0.240 4.880 4.640 -0.000 0.000 0.209 183 D C 0.246 176.315 176.300 -0.385 0.000 0.970 183 D CA 0.905 54.707 54.000 -0.330 0.000 0.874 183 D CB 1.132 41.602 40.800 -0.550 0.000 0.982 183 D HN 0.366 nan 8.370 nan 0.000 0.504 184 I N 0.644 121.013 120.570 -0.334 0.000 2.607 184 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 184 I C -1.208 174.696 176.117 -0.355 0.000 1.129 184 I CA -0.735 60.336 61.300 -0.382 0.000 1.042 184 I CB 3.288 41.018 38.000 -0.451 0.000 1.242 184 I HN -0.414 nan 8.210 nan 0.000 0.421 185 V N 6.004 125.691 119.914 -0.378 0.000 2.483 185 V HA 0.402 4.522 4.120 -0.000 0.000 0.297 185 V C -0.587 175.282 176.094 -0.375 0.000 1.027 185 V CA -0.615 61.507 62.300 -0.298 0.000 0.855 185 V CB 1.619 33.332 31.823 -0.183 0.000 0.995 185 V HN 0.362 nan 8.190 nan 0.000 0.424 186 F N 3.372 123.222 119.950 -0.167 0.000 2.467 186 F HA 0.640 5.167 4.527 -0.000 0.000 0.362 186 F C 0.746 176.447 175.800 -0.165 0.000 1.090 186 F CA 0.075 57.960 58.000 -0.193 0.000 1.202 186 F CB 1.002 39.847 39.000 -0.258 0.000 1.113 186 F HN 0.574 nan 8.300 nan 0.000 0.541 187 A N 2.404 125.224 122.820 0.001 0.000 2.393 187 A HA 0.921 5.241 4.320 -0.000 0.000 0.306 187 A C -0.067 177.491 177.584 -0.044 0.000 1.050 187 A CA 0.119 52.131 52.037 -0.042 0.000 0.724 187 A CB 1.467 20.415 19.000 -0.087 0.000 1.248 187 A HN 1.057 nan 8.150 nan 0.000 0.424 188 G N -0.166 108.612 108.800 -0.035 0.000 2.512 188 G HA2 0.750 4.710 3.960 -0.000 0.000 0.181 188 G HA3 0.750 4.710 3.960 -0.000 0.000 0.181 188 G C -0.137 174.754 174.900 -0.014 0.000 1.173 188 G CA 0.437 45.513 45.100 -0.040 0.000 0.988 188 G HN 2.338 nan 8.290 nan 0.000 0.485 189 G N -2.142 106.654 108.800 -0.006 0.000 2.342 189 G HA2 0.800 4.760 3.960 -0.000 0.000 0.297 189 G HA3 0.800 4.760 3.960 -0.000 0.000 0.297 189 G C -0.593 174.330 174.900 0.039 0.000 1.313 189 G CA 0.632 45.745 45.100 0.020 0.000 0.830 189 G HN 2.069 nan 8.290 nan 0.000 0.506 190 G N -1.225 107.613 108.800 0.063 0.000 2.698 190 G HA2 0.681 4.641 3.960 -0.000 0.000 0.293 190 G HA3 0.681 4.641 3.960 -0.000 0.000 0.293 190 G C -1.944 173.019 174.900 0.106 0.000 1.437 190 G CA -0.310 44.857 45.100 0.111 0.000 0.852 190 G HN 0.700 nan 8.290 nan 0.000 0.499 191 E N -0.230 120.066 120.200 0.159 0.000 2.321 191 E HA 0.352 4.702 4.350 -0.000 0.000 0.281 191 E C -0.253 176.462 176.600 0.190 0.000 0.910 191 E CA -0.692 55.780 56.400 0.120 0.000 0.770 191 E CB 1.556 31.287 29.700 0.051 0.000 1.225 191 E HN 0.709 nan 8.360 nan 0.000 0.417 192 E N 3.207 123.479 120.200 0.119 0.000 2.371 192 E HA 0.386 4.736 4.350 -0.000 0.000 0.257 192 E C -0.806 175.845 176.600 0.085 0.000 1.134 192 E CA -0.793 55.673 56.400 0.110 0.000 0.919 192 E CB 1.152 30.872 29.700 0.033 0.000 1.025 192 E HN 0.258 nan 8.360 nan 0.000 0.438 193 L N 2.718 123.974 121.223 0.054 0.000 2.343 193 L HA 0.462 4.802 4.340 -0.000 0.000 0.278 193 L C -1.345 175.562 176.870 0.062 0.000 0.996 193 L CA -0.358 54.482 54.840 -0.000 0.000 0.831 193 L CB 0.911 42.837 42.059 -0.221 0.000 1.232 193 L HN 0.928 nan 8.230 nan 0.000 0.413 194 C N 2.222 121.620 119.300 0.163 0.000 3.241 194 C HA 0.401 4.861 4.460 -0.000 0.000 0.348 194 C C 1.037 176.125 174.990 0.163 0.000 1.180 194 C CA -1.027 58.077 59.018 0.142 0.000 1.273 194 C CB 0.537 28.228 27.740 -0.081 0.000 1.620 194 C HN 1.067 nan 8.230 nan 0.000 0.510 195 W N 1.113 122.520 121.300 0.178 0.000 2.392 195 W HA -0.006 4.654 4.660 -0.000 0.000 0.279 195 W C 0.995 177.579 176.519 0.109 0.000 1.225 195 W CA 1.881 59.297 57.345 0.119 0.000 1.233 195 W CB -0.945 28.548 29.460 0.055 0.000 1.122 195 W HN 0.878 nan 8.180 nan 0.000 0.561 196 E N 0.824 120.478 120.200 -0.911 0.000 2.085 196 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 196 E C 2.345 178.801 176.600 -0.240 0.000 0.994 196 E CA 2.587 58.442 56.400 -0.909 0.000 0.801 196 E CB -0.651 28.511 29.700 -0.896 0.000 0.743 196 E HN 0.368 nan 8.360 nan 0.000 0.453 197 M N -0.552 118.998 119.600 -0.084 0.000 2.325 197 M HA 0.114 4.594 4.480 -0.000 0.000 0.265 197 M C 2.069 178.533 176.300 0.274 0.000 1.094 197 M CA 1.203 56.565 55.300 0.104 0.000 1.161 197 M CB 0.131 32.818 32.600 0.145 0.000 1.358 197 M HN 0.144 nan 8.290 nan 0.000 0.446 198 A N 0.349 123.334 122.820 0.275 0.000 1.940 198 A HA -0.221 4.098 4.320 -0.000 0.000 0.219 198 A C 2.330 180.112 177.584 0.329 0.000 1.176 198 A CA 1.743 53.989 52.037 0.350 0.000 0.631 198 A CB -1.746 17.424 19.000 0.283 0.000 0.814 198 A HN 0.877 nan 8.150 nan 0.000 0.446 199 C N -0.506 118.962 119.300 0.280 0.000 2.419 199 C HA -0.067 4.393 4.460 -0.000 0.000 0.281 199 C C 2.138 177.229 174.990 0.169 0.000 1.336 199 C CA 1.040 60.202 59.018 0.239 0.000 1.770 199 C CB -1.536 26.387 27.740 0.305 0.000 1.929 199 C HN 0.657 nan 8.230 nan 0.000 0.509 200 E N 0.430 120.708 120.200 0.130 0.000 2.077 200 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 200 E C 1.777 178.342 176.600 -0.059 0.000 0.989 200 E CA 1.508 57.900 56.400 -0.014 0.000 0.800 200 E CB -0.318 29.299 29.700 -0.140 0.000 0.746 200 E HN 0.788 nan 8.360 nan 0.000 0.452 201 F N 1.057 121.076 119.950 0.116 0.000 2.206 201 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 201 F C 2.224 178.041 175.800 0.028 0.000 1.090 201 F CA 0.956 59.020 58.000 0.107 0.000 1.323 201 F CB -0.130 38.918 39.000 0.079 0.000 1.028 201 F HN -0.043 nan 8.300 nan 0.000 0.492 202 D N 0.330 120.845 120.400 0.192 0.000 2.144 202 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 202 D C 2.220 178.566 176.300 0.077 0.000 0.984 202 D CA 1.245 55.304 54.000 0.098 0.000 0.834 202 D CB -0.205 40.654 40.800 0.097 0.000 0.955 202 D HN 0.171 nan 8.370 nan 0.000 0.465 203 A N 0.509 123.375 122.820 0.077 0.000 2.067 203 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 203 A C 2.171 179.776 177.584 0.036 0.000 1.158 203 A CA 1.465 53.532 52.037 0.050 0.000 0.661 203 A CB -0.724 18.302 19.000 0.044 0.000 0.801 203 A HN 0.503 nan 8.150 nan 0.000 0.452 204 M N -3.143 116.485 119.600 0.046 0.000 2.428 204 M HA 0.451 4.931 4.480 -0.000 0.000 0.239 204 M C 1.054 177.390 176.300 0.060 0.000 1.121 204 M CA 0.707 56.031 55.300 0.040 0.000 1.019 204 M CB 0.078 32.694 32.600 0.026 0.000 1.485 204 M HN 0.547 nan 8.290 nan 0.000 0.484 205 G N 0.789 109.626 108.800 0.061 0.000 2.147 205 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 205 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 205 G C 0.806 175.743 174.900 0.063 0.000 1.005 205 G CA 0.371 45.501 45.100 0.051 0.000 0.713 205 G HN 0.762 nan 8.290 nan 0.000 0.515 206 A N -0.927 121.944 122.820 0.086 0.000 2.072 206 A HA 0.594 4.914 4.320 -0.000 0.000 0.216 206 A C 1.337 178.797 177.584 -0.207 0.000 1.156 206 A CA 0.878 52.965 52.037 0.083 0.000 0.701 206 A CB 0.086 19.284 19.000 0.330 0.000 0.816 206 A HN 0.672 nan 8.150 nan 0.000 0.458 207 L N -0.033 121.050 121.223 -0.233 0.000 2.343 207 L HA 0.326 4.666 4.340 -0.000 0.000 0.275 207 L C 0.716 177.525 176.870 -0.102 0.000 1.056 207 L CA -0.563 54.089 54.840 -0.313 0.000 0.804 207 L CB 1.508 43.427 42.059 -0.234 0.000 1.203 207 L HN 0.170 nan 8.230 nan 0.000 0.440 208 S N 0.239 115.911 115.700 -0.047 0.000 2.537 208 S HA 0.100 4.570 4.470 -0.000 0.000 0.286 208 S C 0.805 175.424 174.600 0.031 0.000 1.299 208 S CA 0.182 58.417 58.200 0.059 0.000 1.067 208 S CB 0.408 63.686 63.200 0.130 0.000 0.864 208 S HN 0.832 nan 8.310 nan 0.000 0.494 209 T N 1.562 116.126 114.554 0.016 0.000 2.986 209 T HA 0.335 4.685 4.350 -0.000 0.000 0.264 209 T C 0.948 175.579 174.700 -0.114 0.000 0.964 209 T CA -0.402 61.656 62.100 -0.070 0.000 0.895 209 T CB -0.097 68.721 68.868 -0.083 0.000 1.163 209 T HN 0.591 nan 8.240 nan 0.000 0.517 210 K N 0.119 120.434 120.400 -0.141 0.000 2.393 210 K HA 0.240 4.560 4.320 -0.000 0.000 0.193 210 K C -0.212 176.064 176.600 -0.539 0.000 1.026 210 K CA 0.362 56.421 56.287 -0.380 0.000 1.064 210 K CB 0.171 32.350 32.500 -0.535 0.000 0.833 210 K HN 0.443 nan 8.250 nan 0.000 0.521 211 Y N -0.254 120.040 120.300 -0.011 0.000 2.706 211 Y HA 0.198 4.748 4.550 -0.000 0.000 0.255 211 Y C 0.832 176.746 175.900 0.023 0.000 1.163 211 Y CA -0.643 57.461 58.100 0.008 0.000 1.174 211 Y CB 0.124 38.597 38.460 0.022 0.000 1.200 211 Y HN -0.007 nan 8.280 nan 0.000 0.544 212 N N 0.577 119.332 118.700 0.092 0.000 2.289 212 N HA -0.151 4.589 4.740 -0.000 0.000 0.184 212 N C 0.847 176.443 175.510 0.143 0.000 1.016 212 N CA 1.369 54.500 53.050 0.135 0.000 0.872 212 N CB 0.043 38.577 38.487 0.079 0.000 0.973 212 N HN 0.445 nan 8.380 nan 0.000 0.433 213 D N -0.321 120.123 120.400 0.074 0.000 2.347 213 D HA -0.017 4.623 4.640 -0.000 0.000 0.213 213 D C 0.465 176.796 176.300 0.050 0.000 0.985 213 D CA 0.774 54.791 54.000 0.028 0.000 0.879 213 D CB 0.134 40.934 40.800 -0.001 0.000 0.919 213 D HN 0.312 nan 8.370 nan 0.000 0.526 214 T N -2.059 112.559 114.554 0.107 0.000 3.410 214 T HA 0.336 4.686 4.350 -0.000 0.000 0.328 214 T C -2.403 172.371 174.700 0.125 0.000 1.567 214 T CA -1.628 60.536 62.100 0.107 0.000 1.626 214 T CB 1.797 70.736 68.868 0.118 0.000 0.939 214 T HN -0.288 nan 8.240 nan 0.000 0.656 215 P HA -0.069 nan 4.420 nan 0.000 0.218 215 P C 1.297 178.654 177.300 0.095 0.000 1.148 215 P CA 1.025 64.211 63.100 0.143 0.000 0.822 215 P CB 0.164 31.973 31.700 0.180 0.000 0.784 216 E N -0.490 119.751 120.200 0.068 0.000 2.418 216 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 216 E C 1.254 177.849 176.600 -0.008 0.000 1.026 216 E CA 0.616 57.037 56.400 0.034 0.000 0.862 216 E CB -0.132 29.585 29.700 0.028 0.000 0.799 216 E HN 0.285 nan 8.360 nan 0.000 0.518 217 K N -0.214 120.172 120.400 -0.024 0.000 2.358 217 K HA 0.200 4.520 4.320 -0.000 0.000 0.197 217 K C 1.589 177.995 176.600 -0.324 0.000 1.025 217 K CA 0.252 56.462 56.287 -0.128 0.000 1.104 217 K CB 0.731 33.182 32.500 -0.082 0.000 0.855 217 K HN 0.006 nan 8.250 nan 0.000 0.531 218 A N 1.234 123.954 122.820 -0.168 0.000 1.898 218 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 218 A C 1.453 178.936 177.584 -0.169 0.000 1.181 218 A CA 0.954 52.888 52.037 -0.173 0.000 0.620 218 A CB -0.076 18.982 19.000 0.096 0.000 0.819 218 A HN 0.163 nan 8.150 nan 0.000 0.442 219 S N 0.496 116.143 115.700 -0.088 0.000 2.430 219 S HA 0.466 4.936 4.470 -0.000 0.000 0.289 219 S C 0.274 174.810 174.600 -0.105 0.000 1.143 219 S CA -0.640 57.526 58.200 -0.056 0.000 1.067 219 S CB -0.029 63.167 63.200 -0.006 0.000 0.964 219 S HN 0.515 nan 8.310 nan 0.000 0.485 220 R N 2.624 123.055 120.500 -0.114 0.000 2.533 220 R HA 0.151 4.491 4.340 -0.000 0.000 0.268 220 R C -0.872 175.362 176.300 -0.111 0.000 1.303 220 R CA -0.604 55.427 56.100 -0.116 0.000 1.429 220 R CB -1.131 29.071 30.300 -0.162 0.000 1.361 220 R HN 0.467 nan 8.270 nan 0.000 0.745 221 T N 2.111 116.551 114.554 -0.189 0.000 2.849 221 T HA -0.071 4.279 4.350 -0.000 0.000 0.289 221 T C -0.053 174.425 174.700 -0.371 0.000 1.010 221 T CA 1.050 62.903 62.100 -0.411 0.000 1.161 221 T CB -0.171 68.322 68.868 -0.624 0.000 0.989 221 T HN 0.513 nan 8.240 nan 0.000 0.523 222 Y N -1.188 119.120 120.300 0.014 0.000 4.936 222 Y HA -0.218 4.332 4.550 -0.000 0.000 0.260 222 Y C 0.692 176.598 175.900 0.011 0.000 0.928 222 Y CA 0.438 58.546 58.100 0.014 0.000 1.869 222 Y CB -2.325 36.142 38.460 0.012 0.000 1.344 222 Y HN 0.782 nan 8.280 nan 0.000 0.521 223 D N 0.539 121.005 120.400 0.109 0.000 2.345 223 D HA 0.562 5.202 4.640 -0.000 0.000 0.247 223 D C 1.283 177.614 176.300 0.052 0.000 1.108 223 D CA 0.749 54.801 54.000 0.086 0.000 0.894 223 D CB 1.298 42.137 40.800 0.064 0.000 1.203 223 D HN 0.266 nan 8.370 nan 0.000 0.430 224 A N 3.112 125.931 122.820 -0.001 0.000 2.070 224 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 224 A C 1.140 178.521 177.584 -0.339 0.000 1.159 224 A CA 1.360 53.287 52.037 -0.183 0.000 0.656 224 A CB -0.562 18.262 19.000 -0.294 0.000 0.800 224 A HN 0.788 nan 8.150 nan 0.000 0.453 225 H N -0.531 118.600 119.070 0.103 0.000 2.487 225 H HA 0.175 4.731 4.556 -0.000 0.000 0.290 225 H C 0.579 176.028 175.328 0.202 0.000 1.081 225 H CA -0.303 55.837 56.048 0.153 0.000 1.116 225 H CB 0.064 29.942 29.762 0.193 0.000 1.560 225 H HN 0.584 nan 8.280 nan 0.000 0.548 226 R N 1.554 122.156 120.500 0.169 0.000 2.679 226 R HA 0.007 4.347 4.340 -0.000 0.000 0.268 226 R C -0.491 175.917 176.300 0.181 0.000 1.044 226 R CA 0.500 56.685 56.100 0.141 0.000 1.105 226 R CB 0.460 30.794 30.300 0.058 0.000 0.989 226 R HN 0.260 nan 8.270 nan 0.000 0.447 227 D N 0.395 120.914 120.400 0.200 0.000 2.822 227 D HA 0.220 4.860 4.640 -0.000 0.000 0.327 227 D C 0.066 176.441 176.300 0.125 0.000 1.577 227 D CA 0.099 54.198 54.000 0.165 0.000 0.785 227 D CB 0.358 41.267 40.800 0.183 0.000 1.199 227 D HN 0.923 nan 8.370 nan 0.000 0.443 228 G N 0.416 109.290 108.800 0.123 0.000 2.392 228 G HA2 0.236 4.196 3.960 -0.000 0.000 0.677 228 G HA3 0.236 4.196 3.960 -0.000 0.000 0.677 228 G C -0.562 174.419 174.900 0.135 0.000 1.334 228 G CA -0.681 44.485 45.100 0.109 0.000 0.961 228 G HN 0.339 nan 8.290 nan 0.000 0.616 229 F N -0.501 119.504 119.950 0.093 0.000 2.378 229 F HA 0.793 5.320 4.527 -0.000 0.000 0.319 229 F C 0.280 176.118 175.800 0.063 0.000 1.155 229 F CA -1.360 56.678 58.000 0.063 0.000 1.157 229 F CB 1.140 40.193 39.000 0.089 0.000 1.252 229 F HN 0.399 nan 8.300 nan 0.000 0.550 230 V N 4.354 124.477 119.914 0.348 0.000 2.347 230 V HA 0.276 4.396 4.120 -0.000 0.000 0.280 230 V C 0.199 176.507 176.094 0.358 0.000 1.021 230 V CA -0.863 61.578 62.300 0.236 0.000 0.847 230 V CB 1.108 33.033 31.823 0.170 0.000 0.990 230 V HN 0.862 nan 8.190 nan 0.000 0.444 231 I N 4.527 125.264 120.570 0.279 0.000 2.696 231 I HA 0.563 4.733 4.170 -0.000 0.000 0.284 231 I C 0.476 176.698 176.117 0.176 0.000 1.129 231 I CA 0.459 61.911 61.300 0.255 0.000 1.410 231 I CB 0.982 39.069 38.000 0.144 0.000 1.399 231 I HN 0.793 nan 8.210 nan 0.000 0.579 232 A N 4.692 127.552 122.820 0.068 0.000 2.569 232 A HA 0.873 5.193 4.320 -0.000 0.000 0.290 232 A C -0.650 176.898 177.584 -0.061 0.000 1.136 232 A CA -0.164 51.870 52.037 -0.004 0.000 0.710 232 A CB 1.381 20.384 19.000 0.004 0.000 1.303 232 A HN 0.830 nan 8.150 nan 0.000 0.413 233 G N -1.668 107.055 108.800 -0.128 0.000 2.658 233 G HA2 0.917 4.877 3.960 -0.000 0.000 0.292 233 G HA3 0.917 4.877 3.960 -0.000 0.000 0.292 233 G C -0.057 174.703 174.900 -0.233 0.000 1.320 233 G CA -0.215 44.824 45.100 -0.102 0.000 0.933 233 G HN 2.254 nan 8.290 nan 0.000 0.476 234 G N -1.928 106.734 108.800 -0.231 0.000 2.339 234 G HA2 0.611 4.571 3.960 -0.000 0.000 0.275 234 G HA3 0.611 4.571 3.960 -0.000 0.000 0.275 234 G C -0.356 174.501 174.900 -0.072 0.000 1.323 234 G CA 0.215 45.031 45.100 -0.473 0.000 0.927 234 G HN 1.923 nan 8.290 nan 0.000 0.486 235 G N -1.825 106.933 108.800 -0.070 0.000 2.684 235 G HA2 1.008 4.968 3.960 -0.000 0.000 0.290 235 G HA3 1.008 4.968 3.960 -0.000 0.000 0.290 235 G C -0.376 174.505 174.900 -0.031 0.000 1.425 235 G CA 0.295 45.413 45.100 0.031 0.000 0.822 235 G HN 2.036 nan 8.290 nan 0.000 0.482 236 G N -0.670 108.109 108.800 -0.035 0.000 2.720 236 G HA2 0.620 4.580 3.960 -0.000 0.000 0.295 236 G HA3 0.620 4.580 3.960 -0.000 0.000 0.295 236 G C -1.312 173.548 174.900 -0.067 0.000 1.437 236 G CA -0.640 44.416 45.100 -0.074 0.000 0.886 236 G HN 0.547 nan 8.290 nan 0.000 0.509 237 M N 0.850 120.402 119.600 -0.080 0.000 2.371 237 M HA 0.488 4.968 4.480 -0.000 0.000 0.287 237 M C -0.376 175.880 176.300 -0.073 0.000 1.149 237 M CA -0.848 54.409 55.300 -0.071 0.000 0.929 237 M CB 1.478 34.028 32.600 -0.085 0.000 1.683 237 M HN 0.878 nan 8.290 nan 0.000 0.470 238 V N 0.409 120.283 119.914 -0.065 0.000 2.864 238 V HA 0.853 4.973 4.120 -0.000 0.000 0.314 238 V C -0.557 175.498 176.094 -0.066 0.000 1.073 238 V CA -0.862 61.391 62.300 -0.078 0.000 0.956 238 V CB 1.987 33.741 31.823 -0.115 0.000 1.023 238 V HN 0.552 nan 8.190 nan 0.000 0.435 239 V N 3.912 123.774 119.914 -0.088 0.000 2.348 239 V HA 0.357 4.477 4.120 -0.000 0.000 0.270 239 V C 0.168 176.140 176.094 -0.203 0.000 1.037 239 V CA -0.342 61.825 62.300 -0.221 0.000 0.872 239 V CB 1.014 32.715 31.823 -0.203 0.000 1.002 239 V HN 0.735 nan 8.190 nan 0.000 0.464 240 V N 5.101 124.864 119.914 -0.251 0.000 2.407 240 V HA 0.478 4.598 4.120 -0.000 0.000 0.278 240 V C 0.055 176.019 176.094 -0.215 0.000 1.037 240 V CA -0.287 61.900 62.300 -0.188 0.000 0.900 240 V CB 1.357 33.078 31.823 -0.169 0.000 0.983 240 V HN 0.976 nan 8.190 nan 0.000 0.459 241 E N 2.687 122.797 120.200 -0.151 0.000 2.314 241 E HA 0.329 4.679 4.350 -0.000 0.000 0.272 241 E C -0.806 175.741 176.600 -0.089 0.000 0.884 241 E CA -0.717 55.596 56.400 -0.146 0.000 0.753 241 E CB 1.817 31.458 29.700 -0.099 0.000 1.213 241 E HN 0.703 nan 8.360 nan 0.000 0.432 242 E N 3.628 123.771 120.200 -0.094 0.000 2.384 242 E HA -0.031 4.319 4.350 -0.000 0.000 0.266 242 E C 0.684 177.291 176.600 0.013 0.000 1.012 242 E CA -0.080 56.296 56.400 -0.039 0.000 0.901 242 E CB 1.146 30.821 29.700 -0.042 0.000 0.967 242 E HN 0.617 nan 8.360 nan 0.000 0.435 243 L N 5.416 126.643 121.223 0.006 0.000 1.989 243 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 243 L C 1.899 178.782 176.870 0.022 0.000 1.071 243 L CA 1.890 56.734 54.840 0.007 0.000 0.749 243 L CB -0.416 41.641 42.059 -0.003 0.000 0.890 243 L HN 0.536 nan 8.230 nan 0.000 0.431 244 E N -0.949 119.269 120.200 0.030 0.000 2.110 244 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 244 E C 2.202 178.827 176.600 0.041 0.000 0.988 244 E CA 1.334 57.750 56.400 0.026 0.000 0.804 244 E CB -0.707 29.007 29.700 0.023 0.000 0.745 244 E HN 0.673 nan 8.360 nan 0.000 0.458 245 H N 0.642 119.697 119.070 -0.026 0.000 2.321 245 H HA -0.049 4.507 4.556 -0.000 0.000 0.300 245 H C 1.869 177.180 175.328 -0.029 0.000 1.087 245 H CA 1.795 57.827 56.048 -0.026 0.000 1.319 245 H CB 0.169 29.912 29.762 -0.032 0.000 1.379 245 H HN 0.132 nan 8.280 nan 0.000 0.501 246 A N 1.137 124.027 122.820 0.116 0.000 1.902 246 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 246 A C 2.875 180.448 177.584 -0.019 0.000 1.181 246 A CA 1.347 53.411 52.037 0.045 0.000 0.623 246 A CB -0.844 18.171 19.000 0.025 0.000 0.818 246 A HN 0.420 nan 8.150 nan 0.000 0.443 247 L N -0.929 120.281 121.223 -0.023 0.000 2.093 247 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 247 L C 3.044 179.884 176.870 -0.050 0.000 1.085 247 L CA 0.904 55.723 54.840 -0.035 0.000 0.755 247 L CB -0.526 41.516 42.059 -0.028 0.000 0.904 247 L HN 0.427 nan 8.230 nan 0.000 0.435 248 A N 1.084 123.861 122.820 -0.072 0.000 1.972 248 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 248 A C 2.236 179.759 177.584 -0.102 0.000 1.169 248 A CA 1.645 53.627 52.037 -0.092 0.000 0.635 248 A CB -0.472 18.455 19.000 -0.121 0.000 0.810 248 A HN 0.579 nan 8.150 nan 0.000 0.446 249 R N -1.493 118.935 120.500 -0.119 0.000 2.362 249 R HA 0.365 4.705 4.340 -0.000 0.000 0.227 249 R C 0.929 177.201 176.300 -0.046 0.000 0.905 249 R CA 0.595 56.639 56.100 -0.092 0.000 1.067 249 R CB -0.544 29.686 30.300 -0.115 0.000 1.078 249 R HN 0.709 nan 8.270 nan 0.000 0.516 250 G N 0.990 109.766 108.800 -0.040 0.000 2.246 250 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.273 250 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.273 250 G C 0.310 175.204 174.900 -0.010 0.000 1.055 250 G CA 0.120 45.205 45.100 -0.024 0.000 0.851 250 G HN 0.709 nan 8.290 nan 0.000 0.500 251 A N 0.119 122.931 122.820 -0.013 0.000 2.466 251 A HA 0.475 4.795 4.320 -0.000 0.000 0.238 251 A C 0.681 178.262 177.584 -0.004 0.000 1.074 251 A CA 0.223 52.261 52.037 0.003 0.000 0.774 251 A CB 0.194 19.194 19.000 -0.000 0.000 1.015 251 A HN 0.934 nan 8.150 nan 0.000 0.498 252 H N 1.926 120.942 119.070 -0.091 0.000 2.723 252 H HA 0.392 4.948 4.556 -0.000 0.000 0.294 252 H C -0.918 174.285 175.328 -0.208 0.000 1.079 252 H CA -0.086 55.859 56.048 -0.171 0.000 1.411 252 H CB 0.266 29.888 29.762 -0.234 0.000 1.439 252 H HN 0.481 nan 8.280 nan 0.000 0.474 253 I N 6.828 127.001 120.570 -0.662 0.000 2.312 253 I HA -0.017 4.153 4.170 -0.000 0.000 0.290 253 I C 0.216 175.981 176.117 -0.587 0.000 1.008 253 I CA -0.528 60.510 61.300 -0.437 0.000 1.226 253 I CB 1.014 38.879 38.000 -0.225 0.000 1.371 253 I HN 0.667 nan 8.210 nan 0.000 0.468 254 Y N 5.128 125.261 120.300 -0.277 0.000 2.153 254 Y HA 0.199 4.749 4.550 -0.000 0.000 0.289 254 Y C 1.275 177.103 175.900 -0.119 0.000 1.127 254 Y CA 0.970 58.971 58.100 -0.164 0.000 1.131 254 Y CB 0.114 38.549 38.460 -0.043 0.000 0.995 254 Y HN 0.658 nan 8.280 nan 0.000 0.505 255 A N -0.743 122.121 122.820 0.073 0.000 2.586 255 A HA 0.398 4.718 4.320 -0.000 0.000 0.291 255 A C -1.454 176.134 177.584 0.006 0.000 1.062 255 A CA -0.832 51.221 52.037 0.026 0.000 0.666 255 A CB 0.855 19.880 19.000 0.042 0.000 1.281 255 A HN 0.094 nan 8.150 nan 0.000 0.421 256 E N 0.934 121.132 120.200 -0.003 0.000 2.266 256 E HA 0.468 4.818 4.350 -0.000 0.000 0.277 256 E C -0.773 175.827 176.600 -0.000 0.000 1.018 256 E CA -0.674 55.722 56.400 -0.006 0.000 0.840 256 E CB 0.626 30.323 29.700 -0.006 0.000 1.082 256 E HN 0.475 nan 8.360 nan 0.000 0.395 257 I N 6.630 127.196 120.570 -0.006 0.000 2.329 257 I HA -0.021 4.149 4.170 -0.000 0.000 0.295 257 I C 1.150 177.281 176.117 0.022 0.000 1.109 257 I CA 0.184 61.485 61.300 0.001 0.000 1.297 257 I CB 0.418 38.406 38.000 -0.021 0.000 1.433 257 I HN 0.486 nan 8.210 nan 0.000 0.509 258 V N 3.360 123.293 119.914 0.032 0.000 3.650 258 V HA 0.504 4.624 4.120 -0.000 0.000 0.271 258 V C 0.761 176.892 176.094 0.061 0.000 1.281 258 V CA 0.297 62.621 62.300 0.039 0.000 1.120 258 V CB 0.150 31.990 31.823 0.029 0.000 0.856 258 V HN 0.693 nan 8.190 nan 0.000 0.443 259 G N -0.523 108.326 108.800 0.081 0.000 2.746 259 G HA2 0.542 4.502 3.960 -0.000 0.000 0.297 259 G HA3 0.542 4.502 3.960 -0.000 0.000 0.297 259 G C -2.295 172.716 174.900 0.184 0.000 1.426 259 G CA -0.583 44.584 45.100 0.111 0.000 0.989 259 G HN 0.306 nan 8.290 nan 0.000 0.520 260 Y N 1.400 121.716 120.300 0.027 0.000 2.315 260 Y HA 0.668 5.218 4.550 -0.000 0.000 0.324 260 Y C -0.080 175.842 175.900 0.038 0.000 1.062 260 Y CA -1.323 56.792 58.100 0.025 0.000 1.159 260 Y CB 1.635 40.110 38.460 0.026 0.000 1.145 260 Y HN 0.810 nan 8.280 nan 0.000 0.442 261 G N 3.243 111.970 108.800 -0.122 0.000 2.379 261 G HA2 0.722 4.682 3.960 -0.000 0.000 0.327 261 G HA3 0.722 4.682 3.960 -0.000 0.000 0.327 261 G C -1.538 173.172 174.900 -0.315 0.000 1.145 261 G CA -0.518 44.443 45.100 -0.232 0.000 0.905 261 G HN 1.124 nan 8.290 nan 0.000 0.466 262 A N 1.724 124.362 122.820 -0.304 0.000 2.442 262 A HA 0.862 5.182 4.320 -0.000 0.000 0.284 262 A C 0.002 177.576 177.584 -0.015 0.000 1.058 262 A CA -0.074 51.933 52.037 -0.050 0.000 0.738 262 A CB 1.338 20.310 19.000 -0.048 0.000 1.242 262 A HN 1.535 nan 8.150 nan 0.000 0.421 263 T N -1.470 113.120 114.554 0.060 0.000 2.696 263 T HA 0.868 5.218 4.350 -0.000 0.000 0.291 263 T C -0.324 174.400 174.700 0.039 0.000 1.095 263 T CA -0.417 61.692 62.100 0.016 0.000 1.026 263 T CB 1.672 70.530 68.868 -0.016 0.000 1.390 263 T HN 1.478 nan 8.240 nan 0.000 0.513 264 S N -1.075 114.629 115.700 0.006 0.000 2.540 264 S HA 0.465 4.935 4.470 -0.000 0.000 0.275 264 S C -0.333 174.259 174.600 -0.013 0.000 1.123 264 S CA -0.595 57.611 58.200 0.010 0.000 0.907 264 S CB 1.665 64.868 63.200 0.004 0.000 1.081 264 S HN 0.688 nan 8.310 nan 0.000 0.476 265 D N 2.684 123.077 120.400 -0.012 0.000 2.162 265 D HA 0.150 4.790 4.640 -0.000 0.000 0.203 265 D C 1.469 177.759 176.300 -0.018 0.000 0.967 265 D CA 1.465 55.448 54.000 -0.027 0.000 0.840 265 D CB -0.514 40.271 40.800 -0.025 0.000 0.972 265 D HN 1.060 nan 8.370 nan 0.000 0.482 266 G N 0.217 109.013 108.800 -0.007 0.000 2.356 266 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.296 266 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.296 266 G C 0.644 175.540 174.900 -0.008 0.000 1.022 266 G CA 0.892 45.988 45.100 -0.006 0.000 0.961 266 G HN 0.612 nan 8.290 nan 0.000 0.510 267 A N -0.862 121.955 122.820 -0.005 0.000 1.742 267 A HA 0.683 5.003 4.320 -0.000 0.000 0.167 267 A C 0.382 177.963 177.584 -0.005 0.000 1.913 267 A CA 1.119 53.152 52.037 -0.007 0.000 1.331 267 A CB 0.382 19.375 19.000 -0.012 0.000 0.968 267 A HN 0.600 nan 8.150 nan 0.000 0.739 268 D N -1.480 118.918 120.400 -0.002 0.000 2.342 268 D HA 0.505 5.145 4.640 -0.000 0.000 0.243 268 D C 1.021 177.317 176.300 -0.008 0.000 1.019 268 D CA -0.572 53.424 54.000 -0.008 0.000 0.864 268 D CB 0.976 41.772 40.800 -0.007 0.000 1.315 268 D HN 0.077 nan 8.370 nan 0.000 0.468 269 M N 2.167 121.748 119.600 -0.032 0.000 2.175 269 M HA -0.033 4.447 4.480 -0.000 0.000 0.264 269 M C 1.500 177.730 176.300 -0.115 0.000 1.063 269 M CA 1.316 56.586 55.300 -0.050 0.000 1.119 269 M CB -0.491 32.067 32.600 -0.070 0.000 1.377 269 M HN 0.554 nan 8.290 nan 0.000 0.415 270 V N -4.538 115.265 119.914 -0.185 0.000 3.480 270 V HA 0.528 4.648 4.120 -0.000 0.000 0.263 270 V C 0.802 176.867 176.094 -0.047 0.000 1.442 270 V CA 0.014 62.078 62.300 -0.394 0.000 1.053 270 V CB -0.608 30.708 31.823 -0.844 0.000 0.846 270 V HN 0.129 nan 8.190 nan 0.000 0.440 271 A N 2.931 125.755 122.820 0.006 0.000 2.306 271 A HA 0.866 5.186 4.320 -0.000 0.000 0.314 271 A C -2.493 175.136 177.584 0.076 0.000 1.164 271 A CA -1.675 50.408 52.037 0.078 0.000 0.822 271 A CB 0.303 19.333 19.000 0.050 0.000 1.130 271 A HN 0.371 nan 8.150 nan 0.000 0.496 272 P HA 0.174 nan 4.420 nan 0.000 0.277 272 P C 0.618 177.912 177.300 -0.009 0.000 1.240 272 P CA -0.134 62.981 63.100 0.026 0.000 0.798 272 P CB 1.493 33.202 31.700 0.015 0.000 0.979 273 S N 0.647 116.317 115.700 -0.049 0.000 2.458 273 S HA 0.189 4.659 4.470 -0.000 0.000 0.223 273 S C 1.583 176.145 174.600 -0.063 0.000 1.019 273 S CA 1.001 59.173 58.200 -0.046 0.000 0.937 273 S CB -1.006 62.166 63.200 -0.046 0.000 0.788 273 S HN 0.738 nan 8.310 nan 0.000 0.511 274 G N 1.940 110.671 108.800 -0.115 0.000 2.812 274 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.219 274 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.219 274 G C 0.937 175.762 174.900 -0.124 0.000 1.275 274 G CA 0.549 45.579 45.100 -0.117 0.000 0.769 274 G HN 0.449 nan 8.290 nan 0.000 0.527 275 E N 1.937 122.083 120.200 -0.089 0.000 2.097 275 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 275 E C 2.611 179.150 176.600 -0.101 0.000 1.000 275 E CA 2.519 58.872 56.400 -0.078 0.000 0.804 275 E CB -1.011 28.655 29.700 -0.057 0.000 0.740 275 E HN 0.686 nan 8.360 nan 0.000 0.454 276 G N 0.656 109.382 108.800 -0.124 0.000 2.418 276 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 276 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 276 G C 1.748 176.533 174.900 -0.191 0.000 1.158 276 G CA 1.444 46.464 45.100 -0.133 0.000 0.771 276 G HN 0.442 nan 8.290 nan 0.000 0.545 277 A N 0.159 122.777 122.820 -0.337 0.000 1.902 277 A HA 0.093 4.413 4.320 -0.000 0.000 0.217 277 A C 2.609 180.093 177.584 -0.166 0.000 1.181 277 A CA 1.780 53.531 52.037 -0.476 0.000 0.623 277 A CB -0.623 17.883 19.000 -0.824 0.000 0.818 277 A HN 0.252 nan 8.150 nan 0.000 0.443 278 V N 0.134 119.973 119.914 -0.125 0.000 2.287 278 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 278 V C 2.631 178.686 176.094 -0.065 0.000 1.053 278 V CA 2.350 64.607 62.300 -0.072 0.000 1.027 278 V CB -0.847 30.936 31.823 -0.066 0.000 0.646 278 V HN 0.528 nan 8.190 nan 0.000 0.447 279 R N -1.098 119.361 120.500 -0.069 0.000 2.120 279 R HA -0.173 4.166 4.340 -0.000 0.000 0.234 279 R C 2.393 178.667 176.300 -0.044 0.000 1.123 279 R CA 1.620 57.684 56.100 -0.059 0.000 0.975 279 R CB -0.816 29.447 30.300 -0.061 0.000 0.866 279 R HN 0.583 nan 8.270 nan 0.000 0.446 280 C N 0.673 119.958 119.300 -0.026 0.000 2.453 280 C HA -0.041 4.419 4.460 -0.000 0.000 0.277 280 C C 2.599 177.615 174.990 0.043 0.000 1.262 280 C CA 0.765 59.796 59.018 0.021 0.000 1.718 280 C CB -0.636 27.164 27.740 0.101 0.000 2.031 280 C HN 0.453 nan 8.230 nan 0.000 0.480 281 M N 0.221 119.859 119.600 0.064 0.000 2.117 281 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 281 M C 2.253 178.544 176.300 -0.017 0.000 1.065 281 M CA 1.807 57.141 55.300 0.055 0.000 1.114 281 M CB -0.477 32.167 32.600 0.074 0.000 1.361 281 M HN 0.375 nan 8.290 nan 0.000 0.408 282 K N 0.012 120.381 120.400 -0.052 0.000 2.097 282 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 282 K C 1.983 178.581 176.600 -0.004 0.000 1.049 282 K CA 1.363 57.616 56.287 -0.056 0.000 0.933 282 K CB -0.230 32.233 32.500 -0.062 0.000 0.717 282 K HN 0.358 nan 8.250 nan 0.000 0.442 283 M N 0.502 120.091 119.600 -0.018 0.000 2.117 283 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 283 M C 2.098 178.410 176.300 0.019 0.000 1.065 283 M CA 1.697 56.983 55.300 -0.024 0.000 1.114 283 M CB -0.076 32.480 32.600 -0.073 0.000 1.361 283 M HN 0.178 nan 8.290 nan 0.000 0.408 284 A N -0.064 122.769 122.820 0.023 0.000 2.067 284 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 284 A C 1.881 179.504 177.584 0.065 0.000 1.158 284 A CA 1.363 53.433 52.037 0.055 0.000 0.661 284 A CB -0.557 18.485 19.000 0.070 0.000 0.801 284 A HN 0.640 nan 8.150 nan 0.000 0.452 285 M N -1.230 118.400 119.600 0.051 0.000 2.509 285 M HA 0.071 4.551 4.480 -0.000 0.000 0.250 285 M C 0.650 176.973 176.300 0.038 0.000 1.132 285 M CA 0.071 55.392 55.300 0.035 0.000 1.080 285 M CB 0.063 32.652 32.600 -0.018 0.000 1.408 285 M HN 0.417 nan 8.290 nan 0.000 0.484 286 H N 0.622 119.681 119.070 -0.020 0.000 3.004 286 H HA 0.060 4.616 4.556 -0.000 0.000 0.316 286 H C 1.027 176.351 175.328 -0.007 0.000 1.014 286 H CA 1.773 57.809 56.048 -0.020 0.000 1.454 286 H CB 0.596 30.343 29.762 -0.024 0.000 1.472 286 H HN 0.567 nan 8.280 nan 0.000 0.571 287 G N 4.020 112.552 108.800 -0.447 0.000 2.184 287 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.264 287 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.264 287 G C 0.232 175.070 174.900 -0.103 0.000 0.975 287 G CA 0.325 45.276 45.100 -0.249 0.000 0.642 287 G HN 0.595 nan 8.290 nan 0.000 0.536 288 V N 2.585 122.459 119.914 -0.066 0.000 2.405 288 V HA 0.356 4.476 4.120 -0.000 0.000 0.264 288 V C 1.097 177.175 176.094 -0.025 0.000 1.048 288 V CA 0.466 62.752 62.300 -0.022 0.000 0.966 288 V CB 1.334 33.163 31.823 0.009 0.000 1.015 288 V HN 0.492 nan 8.190 nan 0.000 0.477 289 D N 2.459 122.848 120.400 -0.020 0.000 2.319 289 D HA 0.014 4.654 4.640 -0.000 0.000 0.230 289 D C 0.637 176.936 176.300 -0.002 0.000 1.094 289 D CA -0.003 53.986 54.000 -0.018 0.000 0.856 289 D CB 0.024 40.811 40.800 -0.021 0.000 0.915 289 D HN 0.586 nan 8.370 nan 0.000 0.517 290 T N -2.786 111.774 114.554 0.010 0.000 2.907 290 T HA 0.611 4.961 4.350 -0.000 0.000 0.292 290 T C -2.783 171.941 174.700 0.040 0.000 1.043 290 T CA -1.782 60.331 62.100 0.021 0.000 1.003 290 T CB 2.176 71.056 68.868 0.021 0.000 1.084 290 T HN -0.173 nan 8.240 nan 0.000 0.483 291 P HA 0.324 nan 4.420 nan 0.000 0.274 291 P C -0.473 176.877 177.300 0.083 0.000 1.237 291 P CA -0.670 62.476 63.100 0.077 0.000 0.793 291 P CB 0.502 32.239 31.700 0.061 0.000 0.977 292 I N 2.827 123.474 120.570 0.128 0.000 2.379 292 I HA 0.021 4.191 4.170 -0.000 0.000 0.290 292 I C 1.252 177.374 176.117 0.008 0.000 1.063 292 I CA 0.303 61.656 61.300 0.087 0.000 1.351 292 I CB 0.020 38.111 38.000 0.152 0.000 1.410 292 I HN 0.311 nan 8.210 nan 0.000 0.505 293 D N 5.127 125.544 120.400 0.028 0.000 2.249 293 D HA -0.078 4.562 4.640 -0.000 0.000 0.205 293 D C 0.061 176.405 176.300 0.074 0.000 0.962 293 D CA 1.302 55.322 54.000 0.034 0.000 0.860 293 D CB 0.389 41.218 40.800 0.048 0.000 0.955 293 D HN 0.533 nan 8.370 nan 0.000 0.505 294 Y N 0.175 120.429 120.300 -0.078 0.000 2.482 294 Y HA 0.456 5.006 4.550 -0.000 0.000 0.334 294 Y C -2.128 173.726 175.900 -0.078 0.000 1.091 294 Y CA -1.153 56.894 58.100 -0.089 0.000 1.027 294 Y CB 1.274 39.682 38.460 -0.087 0.000 1.306 294 Y HN -0.227 nan 8.280 nan 0.000 0.446 295 L N 7.039 127.647 121.223 -1.025 0.000 2.343 295 L HA 0.496 4.836 4.340 -0.000 0.000 0.278 295 L C -1.125 175.131 176.870 -1.024 0.000 0.996 295 L CA -0.522 53.843 54.840 -0.792 0.000 0.831 295 L CB 0.989 42.809 42.059 -0.400 0.000 1.232 295 L HN 0.818 nan 8.230 nan 0.000 0.413 296 N N 3.632 121.890 118.700 -0.736 0.000 2.469 296 N HA 0.131 4.871 4.740 -0.000 0.000 0.239 296 N C -0.386 175.022 175.510 -0.170 0.000 1.053 296 N CA -0.247 52.611 53.050 -0.320 0.000 0.937 296 N CB 1.002 39.463 38.487 -0.044 0.000 1.163 296 N HN 0.723 nan 8.380 nan 0.000 0.509 297 S N 2.634 118.280 115.700 -0.090 0.000 2.600 297 S HA -0.001 4.469 4.470 -0.000 0.000 0.265 297 S C 1.330 175.888 174.600 -0.069 0.000 1.325 297 S CA -0.266 57.917 58.200 -0.027 0.000 1.002 297 S CB 1.210 64.483 63.200 0.121 0.000 0.921 297 S HN 0.753 nan 8.310 nan 0.000 0.554 298 H N 2.100 121.052 119.070 -0.197 0.000 2.293 298 H HA 0.117 4.673 4.556 -0.000 0.000 0.300 298 H C 1.510 176.722 175.328 -0.194 0.000 1.082 298 H CA 1.526 57.417 56.048 -0.262 0.000 1.308 298 H CB -1.116 28.449 29.762 -0.329 0.000 1.375 298 H HN 1.090 nan 8.280 nan 0.000 0.495 299 G N 0.660 109.348 108.800 -0.188 0.000 2.167 299 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.233 299 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.233 299 G C 0.959 175.602 174.900 -0.428 0.000 0.493 299 G CA 0.991 45.916 45.100 -0.292 0.000 1.034 299 G HN 0.824 nan 8.290 nan 0.000 0.410 300 T N -1.412 112.888 114.554 -0.423 0.000 3.081 300 T HA 0.411 4.761 4.350 -0.000 0.000 0.250 300 T C 1.283 175.921 174.700 -0.102 0.000 1.100 300 T CA 1.015 62.900 62.100 -0.359 0.000 1.038 300 T CB 0.339 68.981 68.868 -0.376 0.000 0.962 300 T HN 1.840 nan 8.240 nan 0.000 0.516 301 S N 0.741 116.369 115.700 -0.119 0.000 3.777 301 S HA -0.119 4.351 4.470 -0.000 0.000 0.296 301 S C 0.143 174.776 174.600 0.055 0.000 1.173 301 S CA 0.512 58.680 58.200 -0.054 0.000 0.824 301 S CB -2.099 61.085 63.200 -0.027 0.000 0.932 301 S HN 1.270 nan 8.310 nan 0.000 0.571 302 T N -0.764 113.836 114.554 0.077 0.000 2.823 302 T HA 0.690 5.040 4.350 -0.000 0.000 0.279 302 T C -1.415 173.351 174.700 0.111 0.000 0.998 302 T CA -1.688 60.496 62.100 0.140 0.000 0.994 302 T CB 1.759 70.761 68.868 0.223 0.000 0.960 302 T HN -0.056 nan 8.240 nan 0.000 0.448 303 P HA -0.156 nan 4.420 nan 0.000 0.214 303 P C 1.707 179.066 177.300 0.098 0.000 1.169 303 P CA 0.751 63.905 63.100 0.090 0.000 0.908 303 P CB -0.024 31.724 31.700 0.080 0.000 0.791 304 V N -0.483 119.496 119.914 0.107 0.000 2.323 304 V HA -0.117 4.003 4.120 -0.000 0.000 0.244 304 V C 2.588 178.759 176.094 0.129 0.000 1.041 304 V CA 2.472 64.835 62.300 0.105 0.000 1.025 304 V CB -1.864 30.017 31.823 0.097 0.000 0.656 304 V HN 0.192 nan 8.190 nan 0.000 0.451 305 G N -0.321 108.575 108.800 0.161 0.000 2.418 305 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 305 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 305 G C 1.201 176.221 174.900 0.201 0.000 1.158 305 G CA 1.053 46.273 45.100 0.201 0.000 0.771 305 G HN 0.493 nan 8.290 nan 0.000 0.545 306 D N 0.267 120.764 120.400 0.161 0.000 2.104 306 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 306 D C 2.920 179.389 176.300 0.281 0.000 0.994 306 D CA 1.833 55.945 54.000 0.186 0.000 0.830 306 D CB -0.571 40.287 40.800 0.097 0.000 0.959 306 D HN 0.355 nan 8.370 nan 0.000 0.452 307 V N -1.217 118.820 119.914 0.205 0.000 2.719 307 V HA -0.018 4.102 4.120 -0.000 0.000 0.252 307 V C 2.153 178.322 176.094 0.125 0.000 1.065 307 V CA 1.002 63.398 62.300 0.160 0.000 1.086 307 V CB -0.469 31.422 31.823 0.114 0.000 0.700 307 V HN -0.102 nan 8.190 nan 0.000 0.467 308 K N 1.361 121.834 120.400 0.123 0.000 2.032 308 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 308 K C 2.257 178.915 176.600 0.097 0.000 1.048 308 K CA 2.229 58.570 56.287 0.091 0.000 0.927 308 K CB -0.505 32.044 32.500 0.082 0.000 0.712 308 K HN 0.726 nan 8.250 nan 0.000 0.441 309 E N -0.108 120.194 120.200 0.170 0.000 2.077 309 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 309 E C 1.916 178.625 176.600 0.183 0.000 0.989 309 E CA 1.097 57.631 56.400 0.222 0.000 0.800 309 E CB -0.069 29.855 29.700 0.374 0.000 0.746 309 E HN 0.277 nan 8.360 nan 0.000 0.452 310 L N 0.368 121.688 121.223 0.163 0.000 2.046 310 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 310 L C 2.692 179.604 176.870 0.069 0.000 1.077 310 L CA 1.047 55.939 54.840 0.086 0.000 0.747 310 L CB -0.547 41.527 42.059 0.025 0.000 0.896 310 L HN 0.239 nan 8.230 nan 0.000 0.432 311 A N 0.089 122.949 122.820 0.066 0.000 1.902 311 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 311 A C 2.536 180.148 177.584 0.048 0.000 1.181 311 A CA 1.739 53.805 52.037 0.047 0.000 0.623 311 A CB -0.628 18.394 19.000 0.037 0.000 0.818 311 A HN 0.411 nan 8.150 nan 0.000 0.443 312 A N -0.125 122.726 122.820 0.051 0.000 1.902 312 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 312 A C 2.110 179.749 177.584 0.092 0.000 1.181 312 A CA 1.487 53.547 52.037 0.038 0.000 0.623 312 A CB -0.591 18.409 19.000 0.000 0.000 0.818 312 A HN 0.497 nan 8.150 nan 0.000 0.443 313 I N -0.737 119.924 120.570 0.151 0.000 2.179 313 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 313 I C 2.764 179.038 176.117 0.262 0.000 1.088 313 I CA 1.439 62.894 61.300 0.259 0.000 1.357 313 I CB -0.341 37.776 38.000 0.196 0.000 1.051 313 I HN 0.299 nan 8.210 nan 0.000 0.409 314 R N 0.329 120.912 120.500 0.139 0.000 2.091 314 R HA -0.252 4.088 4.340 -0.000 0.000 0.238 314 R C 2.255 178.609 176.300 0.091 0.000 1.136 314 R CA 1.836 58.000 56.100 0.106 0.000 0.959 314 R CB -0.420 29.914 30.300 0.056 0.000 0.856 314 R HN 0.282 nan 8.270 nan 0.000 0.437 315 E N 0.646 120.880 120.200 0.057 0.000 2.077 315 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 315 E C 1.840 178.428 176.600 -0.020 0.000 0.989 315 E CA 1.145 57.554 56.400 0.015 0.000 0.800 315 E CB -0.012 29.687 29.700 -0.002 0.000 0.746 315 E HN 0.066 nan 8.360 nan 0.000 0.452 316 V N -0.328 119.558 119.914 -0.047 0.000 2.323 316 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 316 V C 1.748 177.641 176.094 -0.335 0.000 1.041 316 V CA 1.762 63.915 62.300 -0.246 0.000 1.025 316 V CB -0.437 31.145 31.823 -0.401 0.000 0.656 316 V HN 0.258 nan 8.190 nan 0.000 0.451 317 F N -0.346 119.605 119.950 0.003 0.000 2.656 317 F HA 0.487 5.014 4.527 -0.000 0.000 0.291 317 F C 1.766 177.565 175.800 -0.002 0.000 1.122 317 F CA 0.666 58.666 58.000 0.000 0.000 1.427 317 F CB -0.375 38.624 39.000 -0.003 0.000 1.125 317 F HN 0.280 nan 8.300 nan 0.000 0.583 318 G N 1.019 109.909 108.800 0.149 0.000 2.556 318 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.283 318 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.283 318 G C 0.678 175.633 174.900 0.091 0.000 1.177 318 G CA 0.457 45.610 45.100 0.089 0.000 0.978 318 G HN 0.388 nan 8.290 nan 0.000 0.554 319 D N -0.152 120.286 120.400 0.064 0.000 2.328 319 D HA 0.454 5.094 4.640 -0.000 0.000 0.221 319 D C 1.268 177.594 176.300 0.044 0.000 1.072 319 D CA 1.570 55.596 54.000 0.044 0.000 0.850 319 D CB -0.117 40.700 40.800 0.027 0.000 0.922 319 D HN 0.563 nan 8.370 nan 0.000 0.516 320 K N 0.813 121.258 120.400 0.076 0.000 3.082 320 K HA 0.417 4.737 4.320 -0.000 0.000 0.203 320 K C 0.112 176.750 176.600 0.064 0.000 1.177 320 K CA -0.141 56.185 56.287 0.066 0.000 1.041 320 K CB 0.111 32.658 32.500 0.077 0.000 1.312 320 K HN 0.627 nan 8.250 nan 0.000 0.526 321 S N 1.130 116.815 115.700 -0.025 0.000 2.601 321 S HA 0.525 4.995 4.470 -0.000 0.000 0.271 321 S C -1.795 172.598 174.600 -0.343 0.000 1.305 321 S CA -1.158 56.890 58.200 -0.253 0.000 1.022 321 S CB 0.556 63.652 63.200 -0.173 0.000 0.940 321 S HN 0.309 nan 8.310 nan 0.000 0.525 322 P HA 0.321 nan 4.420 nan 0.000 0.274 322 P C -0.440 176.729 177.300 -0.218 0.000 1.256 322 P CA -0.521 62.360 63.100 -0.365 0.000 0.795 322 P CB 0.183 31.603 31.700 -0.468 0.000 1.038 323 A N 1.307 124.075 122.820 -0.087 0.000 2.511 323 A HA 0.344 4.664 4.320 -0.000 0.000 0.242 323 A C 0.283 177.860 177.584 -0.011 0.000 1.069 323 A CA 0.095 52.135 52.037 0.005 0.000 0.763 323 A CB -0.795 18.272 19.000 0.112 0.000 1.001 323 A HN 0.456 nan 8.150 nan 0.000 0.498 324 I N 1.792 122.358 120.570 -0.007 0.000 2.545 324 I HA 0.498 4.668 4.170 -0.000 0.000 0.292 324 I C 0.150 176.339 176.117 0.120 0.000 1.040 324 I CA -0.199 61.071 61.300 -0.049 0.000 1.068 324 I CB 2.412 40.349 38.000 -0.105 0.000 1.251 324 I HN 0.776 nan 8.210 nan 0.000 0.424 325 S N 3.854 119.670 115.700 0.192 0.000 2.556 325 S HA 0.854 5.324 4.470 -0.000 0.000 0.271 325 S C -0.923 173.788 174.600 0.184 0.000 1.135 325 S CA -0.849 57.490 58.200 0.233 0.000 0.858 325 S CB 2.079 65.427 63.200 0.247 0.000 1.114 325 S HN 0.738 nan 8.310 nan 0.000 0.468 326 A N 1.806 124.721 122.820 0.158 0.000 2.322 326 A HA 0.584 4.904 4.320 -0.000 0.000 0.327 326 A C 1.118 178.698 177.584 -0.007 0.000 1.394 326 A CA -0.242 51.812 52.037 0.028 0.000 0.921 326 A CB -0.233 18.692 19.000 -0.126 0.000 1.153 326 A HN 1.252 nan 8.150 nan 0.000 0.523 327 T N -0.037 114.525 114.554 0.013 0.000 3.035 327 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 327 T C 1.373 176.040 174.700 -0.056 0.000 1.109 327 T CA 1.183 63.271 62.100 -0.021 0.000 1.119 327 T CB -0.290 68.577 68.868 -0.001 0.000 0.900 327 T HN 0.624 nan 8.240 nan 0.000 0.503 328 K N 1.224 121.578 120.400 -0.076 0.000 2.280 328 K HA 0.107 4.427 4.320 -0.000 0.000 0.202 328 K C 2.629 179.182 176.600 -0.078 0.000 1.047 328 K CA 0.970 57.198 56.287 -0.097 0.000 0.942 328 K CB -0.387 31.994 32.500 -0.199 0.000 0.739 328 K HN 0.495 nan 8.250 nan 0.000 0.457 329 A N 0.999 123.766 122.820 -0.088 0.000 1.972 329 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 329 A C 2.019 179.572 177.584 -0.052 0.000 1.169 329 A CA 1.385 53.379 52.037 -0.072 0.000 0.635 329 A CB -0.297 18.661 19.000 -0.070 0.000 0.810 329 A HN 0.201 nan 8.150 nan 0.000 0.446 330 M N -1.070 118.494 119.600 -0.060 0.000 2.325 330 M HA -0.054 4.426 4.480 -0.000 0.000 0.265 330 M C 2.225 178.494 176.300 -0.052 0.000 1.094 330 M CA 1.760 57.022 55.300 -0.064 0.000 1.161 330 M CB -0.085 32.452 32.600 -0.104 0.000 1.358 330 M HN 0.618 nan 8.290 nan 0.000 0.446 331 T N -2.884 111.640 114.554 -0.051 0.000 3.014 331 T HA 0.448 4.798 4.350 -0.000 0.000 0.250 331 T C 1.038 175.749 174.700 0.020 0.000 1.060 331 T CA 0.323 62.410 62.100 -0.022 0.000 1.040 331 T CB 0.061 68.934 68.868 0.008 0.000 0.971 331 T HN 0.530 nan 8.240 nan 0.000 0.497 332 G N 1.337 110.153 108.800 0.027 0.000 2.782 332 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.228 332 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.228 332 G C -0.834 174.109 174.900 0.072 0.000 1.372 332 G CA -0.279 44.867 45.100 0.077 0.000 0.862 332 G HN 0.856 nan 8.290 nan 0.000 0.547 333 H N 0.494 119.534 119.070 -0.050 0.000 2.623 333 H HA 0.619 5.175 4.556 -0.000 0.000 0.299 333 H C 1.418 176.632 175.328 -0.190 0.000 1.052 333 H CA -0.162 55.755 56.048 -0.218 0.000 1.231 333 H CB 0.761 30.197 29.762 -0.543 0.000 1.389 333 H HN 0.859 nan 8.280 nan 0.000 0.469 334 S N 4.791 120.558 115.700 0.112 0.000 2.660 334 S HA 0.185 4.655 4.470 -0.000 0.000 0.227 334 S C 1.173 175.717 174.600 -0.092 0.000 0.948 334 S CA -0.034 58.149 58.200 -0.028 0.000 0.948 334 S CB -0.476 62.714 63.200 -0.017 0.000 0.779 334 S HN 0.723 nan 8.310 nan 0.000 0.487 335 L N -0.209 120.879 121.223 -0.224 0.000 5.323 335 L HA -0.330 4.010 4.340 -0.000 0.000 0.053 335 L C 2.203 179.032 176.870 -0.068 0.000 3.097 335 L CA 1.384 56.026 54.840 -0.328 0.000 1.447 335 L CB -2.025 39.817 42.059 -0.362 0.000 2.992 335 L HN 0.431 nan 8.230 nan 0.000 0.968 336 G N -1.068 107.708 108.800 -0.039 0.000 2.470 336 G HA2 0.035 3.995 3.960 -0.000 0.000 0.220 336 G HA3 0.035 3.995 3.960 -0.000 0.000 0.220 336 G C 1.268 176.170 174.900 0.004 0.000 1.121 336 G CA 1.322 46.427 45.100 0.008 0.000 0.766 336 G HN 0.857 nan 8.290 nan 0.000 0.553 337 A N 0.410 123.226 122.820 -0.008 0.000 2.178 337 A HA 0.614 4.934 4.320 -0.000 0.000 0.211 337 A C 2.574 180.125 177.584 -0.055 0.000 1.157 337 A CA 1.331 53.354 52.037 -0.024 0.000 0.780 337 A CB -0.236 18.753 19.000 -0.018 0.000 0.828 337 A HN 0.529 nan 8.150 nan 0.000 0.476 338 A N 0.006 122.807 122.820 -0.031 0.000 1.902 338 A HA 0.125 4.445 4.320 -0.000 0.000 0.217 338 A C 2.320 179.836 177.584 -0.114 0.000 1.181 338 A CA 1.809 53.815 52.037 -0.051 0.000 0.623 338 A CB -1.216 17.788 19.000 0.006 0.000 0.818 338 A HN 0.636 nan 8.150 nan 0.000 0.443 339 G N -0.855 107.887 108.800 -0.097 0.000 2.421 339 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 339 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 339 G C 1.647 176.452 174.900 -0.159 0.000 1.171 339 G CA 1.273 46.296 45.100 -0.127 0.000 0.775 339 G HN 0.529 nan 8.290 nan 0.000 0.543 340 V N 0.174 119.999 119.914 -0.149 0.000 2.379 340 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 340 V C 2.762 178.698 176.094 -0.264 0.000 1.044 340 V CA 2.490 64.687 62.300 -0.171 0.000 1.036 340 V CB -0.266 31.481 31.823 -0.126 0.000 0.664 340 V HN 0.509 nan 8.190 nan 0.000 0.453 341 Q N -0.397 119.216 119.800 -0.312 0.000 2.084 341 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 341 Q C 2.157 177.552 176.000 -1.007 0.000 0.978 341 Q CA 2.200 57.653 55.803 -0.584 0.000 0.844 341 Q CB -0.155 28.307 28.738 -0.460 0.000 0.898 341 Q HN 0.723 nan 8.270 nan 0.000 0.426 342 E N 0.427 120.264 120.200 -0.604 0.000 2.152 342 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 342 E C 1.935 178.390 176.600 -0.242 0.000 0.983 342 E CA 0.715 56.880 56.400 -0.392 0.000 0.818 342 E CB -0.067 29.550 29.700 -0.139 0.000 0.758 342 E HN 0.339 nan 8.360 nan 0.000 0.467 343 A N 1.158 123.838 122.820 -0.234 0.000 1.902 343 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 343 A C 2.152 179.632 177.584 -0.172 0.000 1.181 343 A CA 1.061 53.001 52.037 -0.161 0.000 0.623 343 A CB -0.513 18.393 19.000 -0.155 0.000 0.818 343 A HN 0.139 nan 8.150 nan 0.000 0.443 344 I N -1.511 118.897 120.570 -0.270 0.000 2.202 344 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 344 I C 2.348 178.413 176.117 -0.087 0.000 1.091 344 I CA 1.231 62.394 61.300 -0.228 0.000 1.368 344 I CB -0.461 37.381 38.000 -0.262 0.000 1.058 344 I HN 0.388 nan 8.210 nan 0.000 0.410 345 Y N 0.857 121.132 120.300 -0.040 0.000 2.165 345 Y HA -0.222 4.328 4.550 -0.000 0.000 0.286 345 Y C 2.941 178.818 175.900 -0.038 0.000 1.155 345 Y CA 0.925 59.012 58.100 -0.021 0.000 1.164 345 Y CB -1.522 36.933 38.460 -0.009 0.000 0.978 345 Y HN 0.110 nan 8.280 nan 0.000 0.513 346 S N 0.212 115.988 115.700 0.126 0.000 2.368 346 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 346 S C 2.176 176.793 174.600 0.029 0.000 1.030 346 S CA 1.317 59.581 58.200 0.106 0.000 0.999 346 S CB -0.712 62.557 63.200 0.116 0.000 0.844 346 S HN 0.358 nan 8.310 nan 0.000 0.459 347 L N 0.954 122.176 121.223 -0.003 0.000 2.083 347 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 347 L C 2.208 179.106 176.870 0.047 0.000 1.083 347 L CA 0.931 55.764 54.840 -0.012 0.000 0.752 347 L CB -0.551 41.435 42.059 -0.122 0.000 0.899 347 L HN 0.277 nan 8.230 nan 0.000 0.433 348 L N -1.133 120.139 121.223 0.082 0.000 2.093 348 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 348 L C 2.622 179.622 176.870 0.217 0.000 1.085 348 L CA 1.238 56.229 54.840 0.252 0.000 0.755 348 L CB -0.349 41.879 42.059 0.282 0.000 0.904 348 L HN 0.303 nan 8.230 nan 0.000 0.435 349 M N -0.890 118.632 119.600 -0.131 0.000 2.117 349 M HA -0.220 4.260 4.480 -0.000 0.000 0.262 349 M C 2.303 178.473 176.300 -0.217 0.000 1.065 349 M CA 1.547 56.509 55.300 -0.562 0.000 1.114 349 M CB -0.351 31.750 32.600 -0.833 0.000 1.361 349 M HN 0.218 nan 8.290 nan 0.000 0.408 350 L N 0.661 121.834 121.223 -0.083 0.000 2.056 350 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 350 L C 2.250 179.129 176.870 0.015 0.000 1.078 350 L CA 2.011 56.842 54.840 -0.017 0.000 0.749 350 L CB -0.568 41.503 42.059 0.020 0.000 0.901 350 L HN 0.210 nan 8.230 nan 0.000 0.433 351 E N -1.379 118.848 120.200 0.045 0.000 2.106 351 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 351 E C 1.660 178.115 176.600 -0.242 0.000 0.984 351 E CA 1.425 57.795 56.400 -0.050 0.000 0.806 351 E CB -0.061 29.662 29.700 0.038 0.000 0.750 351 E HN 0.637 nan 8.360 nan 0.000 0.458 352 H N -1.505 117.678 119.070 0.188 0.000 2.652 352 H HA 0.291 4.847 4.556 -0.000 0.000 0.274 352 H C 0.593 176.073 175.328 0.254 0.000 1.021 352 H CA 0.501 56.688 56.048 0.231 0.000 1.187 352 H CB 0.834 30.777 29.762 0.302 0.000 1.505 352 H HN 0.260 nan 8.280 nan 0.000 0.530 353 G N 2.067 110.998 108.800 0.217 0.000 2.333 353 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.296 353 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.296 353 G C -0.234 174.800 174.900 0.224 0.000 1.059 353 G CA 0.727 45.912 45.100 0.142 0.000 1.050 353 G HN 0.472 nan 8.290 nan 0.000 0.508 354 F N -1.933 118.000 119.950 -0.029 0.000 2.686 354 F HA 0.837 5.364 4.527 -0.000 0.000 0.311 354 F C -0.793 174.905 175.800 -0.169 0.000 1.128 354 F CA -2.763 55.194 58.000 -0.071 0.000 0.946 354 F CB 1.141 40.112 39.000 -0.048 0.000 1.336 354 F HN 0.043 nan 8.300 nan 0.000 0.457 355 I N 2.631 123.040 120.570 -0.268 0.000 2.378 355 I HA 0.631 4.801 4.170 -0.000 0.000 0.291 355 I C 0.114 176.120 176.117 -0.185 0.000 0.992 355 I CA -1.085 59.909 61.300 -0.510 0.000 1.154 355 I CB 1.636 39.446 38.000 -0.316 0.000 1.315 355 I HN 0.970 nan 8.210 nan 0.000 0.448 356 A N 9.003 131.651 122.820 -0.287 0.000 2.407 356 A HA 0.534 4.854 4.320 -0.000 0.000 0.248 356 A C -2.369 175.231 177.584 0.028 0.000 1.082 356 A CA -1.117 50.944 52.037 0.041 0.000 0.785 356 A CB -0.287 18.724 19.000 0.019 0.000 1.020 356 A HN 0.420 nan 8.150 nan 0.000 0.489 357 P HA 0.135 nan 4.420 nan 0.000 0.278 357 P C -0.334 176.998 177.300 0.052 0.000 1.238 357 P CA -0.217 62.913 63.100 0.050 0.000 0.794 357 P CB 1.095 32.816 31.700 0.036 0.000 0.955 358 S N 2.414 118.159 115.700 0.076 0.000 2.411 358 S HA 0.331 4.801 4.470 -0.000 0.000 0.304 358 S C 0.666 175.301 174.600 0.058 0.000 1.098 358 S CA -0.696 57.556 58.200 0.086 0.000 1.068 358 S CB -1.349 61.951 63.200 0.166 0.000 1.032 358 S HN 0.323 nan 8.310 nan 0.000 0.511 359 I N 2.055 122.638 120.570 0.022 0.000 3.110 359 I HA 0.504 4.674 4.170 -0.000 0.000 0.314 359 I C 0.419 176.535 176.117 -0.001 0.000 1.020 359 I CA -0.666 60.639 61.300 0.008 0.000 1.169 359 I CB 0.373 38.367 38.000 -0.010 0.000 1.437 359 I HN 0.488 nan 8.210 nan 0.000 0.595 360 N N 0.893 119.589 118.700 -0.008 0.000 2.741 360 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 360 N C -0.529 174.981 175.510 0.001 0.000 1.112 360 N CA 1.020 54.056 53.050 -0.023 0.000 0.750 360 N CB -1.594 36.852 38.487 -0.069 0.000 1.119 360 N HN 0.619 nan 8.380 nan 0.000 0.561 361 I N 1.123 121.713 120.570 0.033 0.000 2.278 361 I HA 0.047 4.217 4.170 -0.000 0.000 0.296 361 I C 1.305 177.456 176.117 0.056 0.000 1.121 361 I CA -0.009 61.327 61.300 0.060 0.000 1.267 361 I CB 0.461 38.516 38.000 0.091 0.000 1.447 361 I HN -0.001 nan 8.210 nan 0.000 0.509 362 E N 3.614 123.853 120.200 0.066 0.000 2.190 362 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 362 E C 0.464 177.116 176.600 0.087 0.000 0.978 362 E CA 0.528 56.970 56.400 0.069 0.000 0.839 362 E CB 0.484 30.227 29.700 0.071 0.000 0.787 362 E HN 0.555 nan 8.360 nan 0.000 0.473 363 E N 0.980 121.246 120.200 0.110 0.000 2.302 363 E HA 0.164 4.514 4.350 -0.000 0.000 0.263 363 E C -1.399 175.246 176.600 0.075 0.000 0.897 363 E CA -0.712 55.747 56.400 0.098 0.000 0.809 363 E CB 0.997 30.781 29.700 0.141 0.000 1.270 363 E HN -0.062 nan 8.360 nan 0.000 0.410 364 L N 4.330 125.588 121.223 0.059 0.000 2.499 364 L HA 0.107 4.447 4.340 -0.000 0.000 0.273 364 L C 0.227 177.122 176.870 0.040 0.000 1.195 364 L CA 0.525 55.397 54.840 0.055 0.000 0.882 364 L CB 0.694 42.772 42.059 0.031 0.000 1.133 364 L HN 0.603 nan 8.230 nan 0.000 0.483 365 D N 3.656 124.090 120.400 0.055 0.000 2.488 365 D HA -0.029 4.611 4.640 -0.000 0.000 0.238 365 D C 1.106 177.418 176.300 0.020 0.000 1.138 365 D CA 0.807 54.831 54.000 0.039 0.000 0.873 365 D CB 1.288 42.136 40.800 0.080 0.000 1.183 365 D HN 0.814 nan 8.370 nan 0.000 0.458 366 E N 3.456 123.663 120.200 0.012 0.000 2.070 366 E HA -0.260 4.090 4.350 -0.000 0.000 0.197 366 E C 1.751 178.356 176.600 0.008 0.000 1.004 366 E CA 1.600 58.005 56.400 0.009 0.000 0.805 366 E CB -0.832 28.873 29.700 0.008 0.000 0.744 366 E HN 0.761 nan 8.360 nan 0.000 0.451 367 Q N -0.875 118.935 119.800 0.016 0.000 2.491 367 Q HA 0.332 4.672 4.340 -0.000 0.000 0.214 367 Q C 1.338 177.340 176.000 0.004 0.000 0.970 367 Q CA 0.353 56.167 55.803 0.017 0.000 0.960 367 Q CB 0.207 28.965 28.738 0.033 0.000 0.996 367 Q HN 0.533 nan 8.270 nan 0.000 0.524 368 A N 0.029 122.841 122.820 -0.014 0.000 2.594 368 A HA 0.542 4.862 4.320 -0.000 0.000 0.287 368 A C 0.413 177.951 177.584 -0.077 0.000 1.227 368 A CA -0.280 51.715 52.037 -0.071 0.000 0.952 368 A CB 0.429 19.370 19.000 -0.098 0.000 1.161 368 A HN 0.252 nan 8.150 nan 0.000 0.524 369 A N -1.319 121.477 122.820 -0.040 0.000 2.302 369 A HA 0.559 4.879 4.320 -0.000 0.000 0.285 369 A C 1.441 179.005 177.584 -0.034 0.000 1.105 369 A CA 0.339 52.357 52.037 -0.033 0.000 0.816 369 A CB -0.112 18.879 19.000 -0.015 0.000 1.067 369 A HN 1.868 nan 8.150 nan 0.000 0.489 370 G N -0.548 108.234 108.800 -0.031 0.000 2.159 370 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.256 370 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.256 370 G C -0.074 174.804 174.900 -0.037 0.000 0.977 370 G CA 0.644 45.729 45.100 -0.025 0.000 0.652 370 G HN 0.762 nan 8.290 nan 0.000 0.531 371 L N -0.721 120.465 121.223 -0.060 0.000 2.286 371 L HA 0.505 4.845 4.340 -0.000 0.000 0.265 371 L C 0.626 177.447 176.870 -0.082 0.000 1.012 371 L CA -0.982 53.809 54.840 -0.081 0.000 0.818 371 L CB 1.744 43.732 42.059 -0.118 0.000 1.337 371 L HN 0.152 nan 8.230 nan 0.000 0.438 372 N N 1.469 120.116 118.700 -0.087 0.000 3.234 372 N HA 0.330 5.070 4.740 -0.000 0.000 0.272 372 N C -0.941 174.532 175.510 -0.062 0.000 1.254 372 N CA -0.362 52.650 53.050 -0.063 0.000 1.087 372 N CB 0.276 38.732 38.487 -0.052 0.000 1.356 372 N HN 0.431 nan 8.380 nan 0.000 0.511 373 I N 2.539 123.063 120.570 -0.077 0.000 2.379 373 I HA 0.075 4.245 4.170 -0.000 0.000 0.290 373 I C 0.188 176.308 176.117 0.005 0.000 1.063 373 I CA -0.507 60.759 61.300 -0.058 0.000 1.351 373 I CB 1.194 39.114 38.000 -0.133 0.000 1.410 373 I HN 0.030 nan 8.210 nan 0.000 0.505 374 V N 6.084 126.024 119.914 0.043 0.000 2.432 374 V HA 0.114 4.234 4.120 -0.000 0.000 0.271 374 V C 1.130 177.259 176.094 0.059 0.000 1.046 374 V CA 0.024 62.354 62.300 0.049 0.000 0.945 374 V CB 1.158 33.018 31.823 0.061 0.000 0.992 374 V HN 0.925 nan 8.190 nan 0.000 0.471 375 T N 0.005 114.585 114.554 0.044 0.000 3.040 375 T HA 0.225 4.575 4.350 -0.000 0.000 0.266 375 T C 0.223 174.943 174.700 0.034 0.000 1.005 375 T CA -0.157 61.970 62.100 0.044 0.000 0.906 375 T CB 0.377 69.269 68.868 0.040 0.000 1.082 375 T HN 0.490 nan 8.240 nan 0.000 0.531 376 E N 1.041 121.260 120.200 0.032 0.000 2.314 376 E HA 0.493 4.843 4.350 -0.000 0.000 0.272 376 E C -0.720 175.901 176.600 0.036 0.000 0.884 376 E CA -0.930 55.486 56.400 0.026 0.000 0.753 376 E CB 1.570 31.281 29.700 0.019 0.000 1.213 376 E HN 0.398 nan 8.360 nan 0.000 0.432 377 T N 2.609 117.186 114.554 0.039 0.000 2.866 377 T HA 0.136 4.486 4.350 -0.000 0.000 0.293 377 T C -0.045 174.694 174.700 0.066 0.000 1.005 377 T CA 0.578 62.721 62.100 0.072 0.000 1.162 377 T CB 0.048 68.938 68.868 0.037 0.000 0.968 377 T HN 0.430 nan 8.240 nan 0.000 0.530 378 T N 4.199 118.810 114.554 0.096 0.000 2.890 378 T HA 0.220 4.570 4.350 -0.000 0.000 0.295 378 T C -0.496 174.261 174.700 0.095 0.000 0.993 378 T CA -0.908 61.231 62.100 0.065 0.000 0.979 378 T CB 1.026 69.914 68.868 0.034 0.000 0.967 378 T HN 0.461 nan 8.240 nan 0.000 0.441 379 D N 2.999 123.447 120.400 0.082 0.000 2.390 379 D HA 0.341 4.981 4.640 -0.000 0.000 0.249 379 D C 0.382 176.718 176.300 0.059 0.000 1.144 379 D CA 0.211 54.268 54.000 0.095 0.000 0.880 379 D CB 1.020 41.858 40.800 0.064 0.000 1.182 379 D HN 0.392 nan 8.370 nan 0.000 0.451 380 R N 1.326 121.859 120.500 0.056 0.000 2.579 380 R HA 0.068 4.408 4.340 -0.000 0.000 0.260 380 R C -1.314 174.999 176.300 0.022 0.000 1.103 380 R CA -0.623 55.492 56.100 0.025 0.000 0.942 380 R CB 1.271 31.574 30.300 0.004 0.000 1.251 380 R HN 0.099 nan 8.270 nan 0.000 0.450 381 E N 4.778 124.989 120.200 0.019 0.000 2.029 381 E HA 0.153 4.503 4.350 -0.000 0.000 0.276 381 E C -0.390 176.216 176.600 0.009 0.000 1.163 381 E CA 0.006 56.416 56.400 0.017 0.000 0.909 381 E CB 0.357 30.067 29.700 0.016 0.000 1.046 381 E HN 0.379 nan 8.360 nan 0.000 0.406 382 L N 1.643 122.868 121.223 0.002 0.000 2.357 382 L HA 0.310 4.650 4.340 -0.000 0.000 0.273 382 L C 1.398 178.275 176.870 0.011 0.000 1.080 382 L CA -0.282 54.561 54.840 0.004 0.000 0.803 382 L CB 1.141 43.191 42.059 -0.015 0.000 1.174 382 L HN 0.341 nan 8.230 nan 0.000 0.443 383 T N -1.205 113.361 114.554 0.020 0.000 3.058 383 T HA 0.089 4.439 4.350 -0.000 0.000 0.247 383 T C 0.293 175.009 174.700 0.026 0.000 0.987 383 T CA 0.343 62.454 62.100 0.019 0.000 1.062 383 T CB 0.623 69.500 68.868 0.016 0.000 1.048 383 T HN 0.597 nan 8.240 nan 0.000 0.468 384 T N 2.856 117.432 114.554 0.037 0.000 2.879 384 T HA 0.672 5.022 4.350 -0.000 0.000 0.290 384 T C -0.776 173.961 174.700 0.062 0.000 0.993 384 T CA -0.697 61.430 62.100 0.045 0.000 0.975 384 T CB 2.012 70.907 68.868 0.045 0.000 0.981 384 T HN 0.214 nan 8.240 nan 0.000 0.439 385 V N 1.185 121.138 119.914 0.065 0.000 2.914 385 V HA 0.880 5.000 4.120 -0.000 0.000 0.314 385 V C -0.695 175.418 176.094 0.033 0.000 1.084 385 V CA -1.243 61.105 62.300 0.080 0.000 0.963 385 V CB 2.187 34.108 31.823 0.163 0.000 1.025 385 V HN 0.975 nan 8.190 nan 0.000 0.432 386 M N 2.925 122.510 119.600 -0.026 0.000 2.464 386 M HA 0.754 5.234 4.480 -0.000 0.000 0.308 386 M C -1.033 175.211 176.300 -0.093 0.000 1.127 386 M CA -0.277 55.006 55.300 -0.027 0.000 0.913 386 M CB 2.198 34.812 32.600 0.022 0.000 1.689 386 M HN 0.998 nan 8.290 nan 0.000 0.445 387 S N 3.114 118.772 115.700 -0.071 0.000 2.594 387 S HA 0.596 5.066 4.470 -0.000 0.000 0.296 387 S C -1.465 173.045 174.600 -0.151 0.000 1.124 387 S CA -0.770 57.362 58.200 -0.113 0.000 1.011 387 S CB 1.058 64.203 63.200 -0.092 0.000 1.016 387 S HN 0.845 nan 8.310 nan 0.000 0.485 388 N N 2.080 120.637 118.700 -0.239 0.000 2.443 388 N HA 0.562 5.302 4.740 -0.000 0.000 0.295 388 N C -1.341 173.797 175.510 -0.620 0.000 1.076 388 N CA -0.406 52.340 53.050 -0.507 0.000 0.919 388 N CB 1.838 39.911 38.487 -0.689 0.000 1.176 388 N HN 0.483 nan 8.380 nan 0.000 0.487 389 S N 1.571 116.797 115.700 -0.791 0.000 2.776 389 S HA 0.504 4.974 4.470 -0.000 0.000 0.284 389 S C -1.359 172.883 174.600 -0.596 0.000 1.160 389 S CA -0.589 57.288 58.200 -0.538 0.000 1.051 389 S CB 0.232 63.271 63.200 -0.270 0.000 1.037 389 S HN 0.279 nan 8.310 nan 0.000 0.485 390 F N 1.778 121.343 119.950 -0.642 0.000 2.434 390 F HA 0.639 5.166 4.527 -0.000 0.000 0.355 390 F C 0.794 176.341 175.800 -0.421 0.000 1.115 390 F CA -1.071 56.615 58.000 -0.524 0.000 1.010 390 F CB 1.284 39.987 39.000 -0.496 0.000 1.234 390 F HN 0.612 nan 8.300 nan 0.000 0.439 391 G N 1.705 110.554 108.800 0.081 0.000 2.461 391 G HA2 0.505 4.465 3.960 -0.000 0.000 0.329 391 G HA3 0.505 4.465 3.960 -0.000 0.000 0.329 391 G C -0.657 174.425 174.900 0.303 0.000 1.170 391 G CA -0.538 44.648 45.100 0.144 0.000 0.935 391 G HN 0.192 nan 8.290 nan 0.000 0.492 392 F N 0.270 120.324 119.950 0.174 0.000 2.646 392 F HA 0.299 4.826 4.527 -0.000 0.000 0.363 392 F C 1.714 177.582 175.800 0.113 0.000 1.143 392 F CA 1.012 59.104 58.000 0.153 0.000 1.356 392 F CB 0.418 39.521 39.000 0.172 0.000 1.055 392 F HN 0.947 nan 8.300 nan 0.000 0.606 393 G N 0.821 109.779 108.800 0.263 0.000 2.157 393 G HA2 0.029 3.989 3.960 -0.000 0.000 0.248 393 G HA3 0.029 3.989 3.960 -0.000 0.000 0.248 393 G C 0.850 175.822 174.900 0.119 0.000 0.979 393 G CA 0.369 45.560 45.100 0.151 0.000 0.650 393 G HN 1.948 nan 8.290 nan 0.000 0.529 394 G N -1.097 107.785 108.800 0.137 0.000 2.272 394 G HA2 0.111 4.071 3.960 -0.000 0.000 0.280 394 G HA3 0.111 4.071 3.960 -0.000 0.000 0.280 394 G C 0.312 175.268 174.900 0.093 0.000 1.067 394 G CA 1.370 46.523 45.100 0.088 0.000 0.902 394 G HN 2.019 nan 8.290 nan 0.000 0.500 395 T N 0.225 114.868 114.554 0.148 0.000 2.771 395 T HA 0.598 4.948 4.350 -0.000 0.000 0.281 395 T C -0.125 174.726 174.700 0.251 0.000 0.982 395 T CA -0.667 61.546 62.100 0.189 0.000 0.978 395 T CB 0.445 69.439 68.868 0.210 0.000 0.930 395 T HN 0.306 nan 8.240 nan 0.000 0.447 396 N N 2.955 121.816 118.700 0.268 0.000 2.284 396 N HA 0.705 5.445 4.740 -0.000 0.000 0.300 396 N C -1.212 174.438 175.510 0.232 0.000 1.047 396 N CA -0.593 52.651 53.050 0.323 0.000 0.821 396 N CB 2.123 40.749 38.487 0.231 0.000 1.337 396 N HN 0.762 nan 8.380 nan 0.000 0.482 397 A N 0.785 123.645 122.820 0.066 0.000 2.414 397 A HA 0.806 5.126 4.320 -0.000 0.000 0.306 397 A C -0.734 176.842 177.584 -0.015 0.000 1.054 397 A CA -0.485 51.510 52.037 -0.071 0.000 0.724 397 A CB 1.371 20.094 19.000 -0.461 0.000 1.267 397 A HN 0.455 nan 8.150 nan 0.000 0.418 398 T N 2.049 116.644 114.554 0.068 0.000 2.916 398 T HA 0.589 4.939 4.350 -0.000 0.000 0.298 398 T C -0.871 173.896 174.700 0.111 0.000 1.031 398 T CA -0.227 61.903 62.100 0.050 0.000 0.993 398 T CB 0.900 69.824 68.868 0.093 0.000 1.045 398 T HN 0.494 nan 8.240 nan 0.000 0.454 399 L N 2.668 123.921 121.223 0.049 0.000 2.346 399 L HA 0.789 5.129 4.340 -0.000 0.000 0.276 399 L C -0.751 176.143 176.870 0.041 0.000 1.006 399 L CA -1.134 53.742 54.840 0.060 0.000 0.817 399 L CB 1.979 44.033 42.059 -0.008 0.000 1.272 399 L HN 0.328 nan 8.230 nan 0.000 0.421 400 V N 3.784 123.732 119.914 0.057 0.000 2.487 400 V HA 0.543 4.663 4.120 -0.000 0.000 0.298 400 V C -0.183 175.933 176.094 0.036 0.000 1.028 400 V CA -0.384 61.945 62.300 0.048 0.000 0.860 400 V CB 1.852 33.713 31.823 0.063 0.000 0.991 400 V HN 0.711 nan 8.190 nan 0.000 0.427 401 M N 5.058 124.675 119.600 0.029 0.000 2.395 401 M HA 0.689 5.169 4.480 -0.000 0.000 0.307 401 M C -0.617 175.700 176.300 0.027 0.000 1.091 401 M CA -0.412 54.901 55.300 0.021 0.000 0.919 401 M CB 2.684 35.291 32.600 0.011 0.000 1.662 401 M HN 0.566 nan 8.290 nan 0.000 0.440 402 R N 1.225 121.738 120.500 0.021 0.000 2.651 402 R HA 0.473 4.813 4.340 -0.000 0.000 0.278 402 R C -1.179 175.126 176.300 0.009 0.000 1.010 402 R CA -0.817 55.294 56.100 0.018 0.000 0.896 402 R CB 2.082 32.392 30.300 0.017 0.000 1.211 402 R HN 0.665 nan 8.270 nan 0.000 0.456 403 K N 2.814 123.218 120.400 0.006 0.000 2.469 403 K HA 0.060 4.380 4.320 -0.000 0.000 0.274 403 K C 0.196 176.787 176.600 -0.016 0.000 0.983 403 K CA 0.154 56.435 56.287 -0.009 0.000 0.974 403 K CB 0.488 32.982 32.500 -0.009 0.000 0.913 403 K HN 0.401 nan 8.250 nan 0.000 0.493 404 L N 0.000 121.204 121.223 -0.031 0.000 2.949 404 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 404 L CA 0.000 54.821 54.840 -0.031 0.000 0.813 404 L CB 0.000 42.031 42.059 -0.046 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502