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 2qzy_1_A DATA FIRST_RESID 34 DATA SEQUENCE LSTSLSALPA AARDFVEEAV RLCRPREVLL CDGSEEEGKE LLRGLQDDGV DATA SEQUENCE LHPLPKYDNC WLARTDPRDV ARVESKTVLV TPEQSDAVPP PPPSGGPPQL DATA SEQUENCE GNWMSPNAFQ AAVQERFPGC MAGRPLYVIP FSMGPPTSPL AKLGVQVTDS DATA SEQUENCE PYVVLSMRIM TRVGPAVLQR LDDDFVRCLH SVGRPLPLTE PLVSSWPCDP DATA SEQUENCE SRVLVAHIPS ERRIVSFGSG YGGNSLLGKK CFALRIASRM AQQQGWLAEH DATA SEQUENCE MLILGVTSPS GEKRYMAAAF PSACGKTNLA MMTPSLPGWR IHCVGDDIAW DATA SEQUENCE MKFDDEGRLR AINPERGFFG VAPGTSSRTN PNAMATIARN TIFTNVGLRS DATA SEQUENCE DGGVYWDGLD EPTEPGVTYT SWLGKPWKHG DPEPCAHPNS RFCAPADQCP DATA SEQUENCE IMDPRWDDPE GVPIDAIIFG GRRPRGVPLV VEAFGWRHGV FMGSAMRSXX DATA SEQUENCE XXXXXXXXXX LMHDPFAMRP FFGYNAGRYL EHWLSTGLRS NARLPRLFHV DATA SEQUENCE NWFLRDNEGR FVWPGFGHNA RVLAWIFGRI QGRDTARPTP IGWVPKEGDL DATA SEQUENCE DLGGLPGVDY SQLFPMEKGF WEEECRQLRE YYGENFGADL PRDVMAELEG DATA SEQUENCE LEERVRKM 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 34 L HA 0.000 nan 4.340 nan 0.000 0.249 34 L C 0.000 176.892 176.870 0.036 0.000 1.165 34 L CA 0.000 54.880 54.840 0.067 0.000 0.813 34 L CB 0.000 42.117 42.059 0.096 0.000 0.961 35 S N -0.434 115.280 115.700 0.024 0.000 2.541 35 S HA 0.539 5.009 4.470 -0.001 0.000 0.271 35 S C 0.568 175.164 174.600 -0.007 0.000 1.133 35 S CA 0.226 58.430 58.200 0.008 0.000 0.876 35 S CB 1.907 65.113 63.200 0.009 0.000 1.105 35 S HN 0.747 nan 8.310 nan 0.000 0.470 36 T N 0.110 114.655 114.554 -0.014 0.000 3.113 36 T HA 0.169 4.519 4.350 -0.001 0.000 0.256 36 T C 0.862 175.551 174.700 -0.018 0.000 1.131 36 T CA 0.332 62.417 62.100 -0.025 0.000 1.074 36 T CB -0.092 68.759 68.868 -0.028 0.000 0.944 36 T HN 0.413 nan 8.240 nan 0.000 0.516 37 S N 1.057 116.751 115.700 -0.011 0.000 2.448 37 S HA 0.426 4.896 4.470 -0.001 0.000 0.279 37 S C 0.640 175.235 174.600 -0.008 0.000 1.195 37 S CA -0.795 57.400 58.200 -0.008 0.000 1.051 37 S CB -0.108 63.089 63.200 -0.005 0.000 0.948 37 S HN 0.477 nan 8.310 nan 0.000 0.493 38 L N 4.635 125.853 121.223 -0.010 0.000 2.728 38 L HA 0.147 4.487 4.340 -0.001 0.000 0.238 38 L C 2.158 179.024 176.870 -0.008 0.000 1.143 38 L CA -0.010 54.824 54.840 -0.009 0.000 0.937 38 L CB -0.182 41.869 42.059 -0.013 0.000 1.225 38 L HN 0.758 nan 8.230 nan 0.000 0.507 39 S N 0.471 116.167 115.700 -0.006 0.000 2.442 39 S HA -0.132 4.338 4.470 -0.001 0.000 0.236 39 S C 1.981 176.577 174.600 -0.006 0.000 1.007 39 S CA 0.867 59.064 58.200 -0.005 0.000 0.965 39 S CB -0.105 63.093 63.200 -0.004 0.000 0.773 39 S HN 0.380 nan 8.310 nan 0.000 0.504 40 A N 0.918 123.734 122.820 -0.008 0.000 2.167 40 A HA 0.405 4.724 4.320 -0.001 0.000 0.214 40 A C 0.933 178.507 177.584 -0.018 0.000 1.151 40 A CA 0.023 52.054 52.037 -0.010 0.000 0.735 40 A CB -0.465 18.530 19.000 -0.009 0.000 0.802 40 A HN 0.563 nan 8.150 nan 0.000 0.467 41 L N 1.377 122.589 121.223 -0.019 0.000 2.410 41 L HA 0.219 4.558 4.340 -0.001 0.000 0.273 41 L C -2.121 174.733 176.870 -0.027 0.000 1.144 41 L CA -1.800 53.020 54.840 -0.033 0.000 0.863 41 L CB 0.689 42.731 42.059 -0.029 0.000 1.140 41 L HN 0.100 nan 8.230 nan 0.000 0.463 42 P HA 0.069 nan 4.420 nan 0.000 0.273 42 P C 0.259 177.565 177.300 0.009 0.000 1.250 42 P CA -0.277 62.815 63.100 -0.015 0.000 0.793 42 P CB 0.719 32.407 31.700 -0.020 0.000 1.011 43 A N 1.362 124.201 122.820 0.032 0.000 1.873 43 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 43 A C 2.148 179.789 177.584 0.096 0.000 1.193 43 A CA 2.521 54.589 52.037 0.052 0.000 0.629 43 A CB -1.854 17.174 19.000 0.047 0.000 0.826 43 A HN 0.557 nan 8.150 nan 0.000 0.447 44 A N -0.544 122.361 122.820 0.142 0.000 1.930 44 A HA 0.209 4.528 4.320 -0.001 0.000 0.217 44 A C 2.474 180.281 177.584 0.372 0.000 1.175 44 A CA 2.007 54.197 52.037 0.256 0.000 0.627 44 A CB -0.903 18.293 19.000 0.326 0.000 0.815 44 A HN 1.071 nan 8.150 nan 0.000 0.443 45 A N -0.255 122.669 122.820 0.174 0.000 1.898 45 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 45 A C 2.170 179.834 177.584 0.134 0.000 1.181 45 A CA 1.933 53.972 52.037 0.003 0.000 0.620 45 A CB -0.413 18.373 19.000 -0.357 0.000 0.819 45 A HN 0.433 nan 8.150 nan 0.000 0.442 46 R N 0.520 121.065 120.500 0.076 0.000 2.081 46 R HA -0.130 4.209 4.340 -0.001 0.000 0.235 46 R C 1.419 177.767 176.300 0.080 0.000 1.131 46 R CA 2.023 58.156 56.100 0.055 0.000 0.960 46 R CB -0.663 29.656 30.300 0.032 0.000 0.856 46 R HN 0.494 nan 8.270 nan 0.000 0.436 47 D N -0.467 120.008 120.400 0.126 0.000 2.104 47 D HA -0.190 4.450 4.640 -0.001 0.000 0.194 47 D C 1.616 178.019 176.300 0.171 0.000 0.994 47 D CA 1.348 55.425 54.000 0.128 0.000 0.830 47 D CB -0.454 40.430 40.800 0.140 0.000 0.959 47 D HN 0.218 nan 8.370 nan 0.000 0.452 48 F N 1.676 121.699 119.950 0.121 0.000 2.095 48 F HA -0.217 4.310 4.527 -0.001 0.000 0.298 48 F C 2.169 178.022 175.800 0.088 0.000 1.104 48 F CA 1.000 59.077 58.000 0.128 0.000 1.232 48 F CB -0.603 38.551 39.000 0.256 0.000 0.987 48 F HN -0.198 nan 8.300 nan 0.000 0.475 49 V N 0.879 120.681 119.914 -0.186 0.000 2.287 49 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 49 V C 2.485 178.456 176.094 -0.206 0.000 1.053 49 V CA 2.301 64.425 62.300 -0.294 0.000 1.027 49 V CB -0.718 31.039 31.823 -0.110 0.000 0.646 49 V HN 0.320 nan 8.190 nan 0.000 0.447 50 E N -0.248 119.895 120.200 -0.095 0.000 2.150 50 E HA -0.221 4.128 4.350 -0.001 0.000 0.193 50 E C 2.165 178.726 176.600 -0.065 0.000 0.985 50 E CA 1.071 57.433 56.400 -0.063 0.000 0.814 50 E CB -0.206 29.481 29.700 -0.022 0.000 0.752 50 E HN 0.773 nan 8.360 nan 0.000 0.466 51 E N 1.015 121.178 120.200 -0.062 0.000 2.051 51 E HA -0.177 4.173 4.350 -0.001 0.000 0.192 51 E C 2.001 178.546 176.600 -0.092 0.000 0.991 51 E CA 1.152 57.525 56.400 -0.044 0.000 0.799 51 E CB -0.016 29.698 29.700 0.023 0.000 0.748 51 E HN 0.144 nan 8.360 nan 0.000 0.449 52 A N 0.674 123.373 122.820 -0.201 0.000 1.933 52 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 52 A C 2.415 179.936 177.584 -0.104 0.000 1.175 52 A CA 1.406 53.326 52.037 -0.195 0.000 0.628 52 A CB -0.602 18.176 19.000 -0.370 0.000 0.814 52 A HN 0.237 nan 8.150 nan 0.000 0.444 53 V N -0.008 119.842 119.914 -0.108 0.000 2.343 53 V HA -0.276 3.843 4.120 -0.001 0.000 0.247 53 V C 2.639 178.710 176.094 -0.038 0.000 1.051 53 V CA 2.292 64.553 62.300 -0.065 0.000 1.036 53 V CB -0.811 30.972 31.823 -0.067 0.000 0.654 53 V HN 0.543 nan 8.190 nan 0.000 0.451 54 R N -0.585 119.893 120.500 -0.037 0.000 2.081 54 R HA -0.139 4.200 4.340 -0.001 0.000 0.235 54 R C 2.209 178.502 176.300 -0.011 0.000 1.131 54 R CA 1.472 57.559 56.100 -0.022 0.000 0.960 54 R CB -0.536 29.752 30.300 -0.020 0.000 0.856 54 R HN 0.378 nan 8.270 nan 0.000 0.436 55 L N 0.306 121.521 121.223 -0.012 0.000 1.988 55 L HA -0.149 4.190 4.340 -0.001 0.000 0.207 55 L C 1.886 178.784 176.870 0.047 0.000 1.071 55 L CA 1.809 56.655 54.840 0.010 0.000 0.744 55 L CB -0.432 41.624 42.059 -0.006 0.000 0.893 55 L HN 0.180 nan 8.230 nan 0.000 0.433 56 C N -0.407 118.926 119.300 0.055 0.000 2.514 56 C HA 0.197 4.656 4.460 -0.001 0.000 0.271 56 C C 1.070 176.085 174.990 0.042 0.000 1.399 56 C CA -0.234 58.837 59.018 0.089 0.000 1.765 56 C CB -1.068 26.741 27.740 0.115 0.000 1.893 56 C HN 0.585 nan 8.230 nan 0.000 0.531 57 R N -0.553 119.956 120.500 0.014 0.000 3.264 57 R HA -0.139 4.200 4.340 -0.001 0.000 0.251 57 R C -2.606 173.689 176.300 -0.009 0.000 0.971 57 R CA 0.245 56.344 56.100 -0.001 0.000 0.658 57 R CB -2.045 28.257 30.300 0.002 0.000 1.095 57 R HN 0.460 nan 8.270 nan 0.000 0.443 58 P HA -0.019 nan 4.420 nan 0.000 0.274 58 P C 0.156 177.431 177.300 -0.043 0.000 1.246 58 P CA -0.240 62.839 63.100 -0.034 0.000 0.795 58 P CB 0.674 32.342 31.700 -0.054 0.000 1.006 59 R N 0.746 121.217 120.500 -0.049 0.000 2.115 59 R HA -0.066 4.274 4.340 -0.001 0.000 0.226 59 R C 0.813 177.077 176.300 -0.060 0.000 1.100 59 R CA 1.236 57.308 56.100 -0.047 0.000 0.980 59 R CB 0.301 30.575 30.300 -0.043 0.000 0.875 59 R HN 0.707 nan 8.270 nan 0.000 0.445 60 E N -1.624 118.523 120.200 -0.087 0.000 2.423 60 E HA 0.316 4.665 4.350 -0.001 0.000 0.280 60 E C -1.620 174.898 176.600 -0.137 0.000 1.030 60 E CA -1.057 55.284 56.400 -0.100 0.000 0.812 60 E CB 1.912 31.552 29.700 -0.100 0.000 1.313 60 E HN -0.123 nan 8.360 nan 0.000 0.456 61 V N 1.767 121.606 119.914 -0.124 0.000 2.483 61 V HA 0.416 4.535 4.120 -0.001 0.000 0.297 61 V C -0.686 175.332 176.094 -0.127 0.000 1.027 61 V CA -0.626 61.596 62.300 -0.131 0.000 0.855 61 V CB 1.185 32.957 31.823 -0.086 0.000 0.995 61 V HN 0.544 nan 8.190 nan 0.000 0.424 62 L N 5.395 126.517 121.223 -0.168 0.000 2.349 62 L HA 0.546 4.885 4.340 -0.001 0.000 0.278 62 L C -0.689 176.181 176.870 -0.002 0.000 0.996 62 L CA -0.742 54.037 54.840 -0.101 0.000 0.825 62 L CB 1.904 43.864 42.059 -0.165 0.000 1.243 62 L HN 0.454 nan 8.230 nan 0.000 0.412 63 L N 3.739 124.972 121.223 0.018 0.000 2.313 63 L HA 0.335 4.675 4.340 -0.001 0.000 0.282 63 L C -0.269 176.644 176.870 0.071 0.000 1.092 63 L CA 0.183 55.049 54.840 0.045 0.000 0.831 63 L CB 0.640 42.712 42.059 0.022 0.000 1.159 63 L HN 0.646 nan 8.230 nan 0.000 0.442 64 C N 4.224 123.581 119.300 0.096 0.000 2.527 64 C HA 0.369 4.829 4.460 -0.001 0.000 0.396 64 C C 1.133 176.154 174.990 0.053 0.000 1.289 64 C CA -0.351 58.718 59.018 0.084 0.000 2.047 64 C CB 0.379 28.171 27.740 0.086 0.000 2.568 64 C HN 0.912 nan 8.230 nan 0.000 0.573 65 D N -0.404 120.019 120.400 0.038 0.000 2.469 65 D HA 0.199 4.838 4.640 -0.001 0.000 0.213 65 D C 1.379 177.690 176.300 0.019 0.000 1.135 65 D CA 0.566 54.581 54.000 0.026 0.000 0.834 65 D CB -0.246 40.566 40.800 0.021 0.000 1.009 65 D HN 0.943 nan 8.370 nan 0.000 0.507 66 G N 0.653 109.461 108.800 0.014 0.000 2.168 66 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.263 66 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.263 66 G C 0.472 175.373 174.900 0.002 0.000 0.977 66 G CA 0.681 45.783 45.100 0.004 0.000 0.659 66 G HN 0.894 nan 8.290 nan 0.000 0.533 67 S N -0.824 114.879 115.700 0.006 0.000 2.614 67 S HA 0.506 4.975 4.470 -0.001 0.000 0.265 67 S C 1.147 175.751 174.600 0.006 0.000 1.303 67 S CA 0.529 58.734 58.200 0.008 0.000 1.000 67 S CB 1.939 65.145 63.200 0.011 0.000 0.935 67 S HN 0.369 nan 8.310 nan 0.000 0.551 68 E N 0.533 120.741 120.200 0.013 0.000 2.077 68 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 68 E C 1.911 178.520 176.600 0.014 0.000 0.989 68 E CA 1.425 57.835 56.400 0.017 0.000 0.800 68 E CB -0.195 29.521 29.700 0.026 0.000 0.746 68 E HN 0.908 nan 8.360 nan 0.000 0.452 69 E N 0.585 120.794 120.200 0.015 0.000 2.110 69 E HA -0.254 4.095 4.350 -0.001 0.000 0.193 69 E C 2.014 178.619 176.600 0.008 0.000 0.988 69 E CA 1.397 57.806 56.400 0.015 0.000 0.804 69 E CB -0.033 29.677 29.700 0.017 0.000 0.745 69 E HN 0.290 nan 8.360 nan 0.000 0.458 70 E N -0.449 119.754 120.200 0.005 0.000 2.077 70 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 70 E C 2.060 178.643 176.600 -0.027 0.000 0.989 70 E CA 1.251 57.651 56.400 -0.001 0.000 0.800 70 E CB -0.393 29.310 29.700 0.005 0.000 0.746 70 E HN 0.350 nan 8.360 nan 0.000 0.452 71 G N 1.156 109.935 108.800 -0.034 0.000 2.476 71 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.218 71 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.218 71 G C 1.546 176.399 174.900 -0.078 0.000 1.164 71 G CA 1.137 46.198 45.100 -0.064 0.000 0.768 71 G HN 0.229 nan 8.290 nan 0.000 0.560 72 K N 0.073 120.452 120.400 -0.036 0.000 2.097 72 K HA -0.043 4.276 4.320 -0.001 0.000 0.206 72 K C 2.362 178.934 176.600 -0.046 0.000 1.049 72 K CA 1.211 57.482 56.287 -0.027 0.000 0.933 72 K CB -0.119 32.393 32.500 0.019 0.000 0.717 72 K HN 0.454 nan 8.250 nan 0.000 0.442 73 E N 1.107 121.289 120.200 -0.030 0.000 2.051 73 E HA -0.173 4.176 4.350 -0.001 0.000 0.192 73 E C 1.952 178.523 176.600 -0.048 0.000 0.991 73 E CA 0.897 57.286 56.400 -0.020 0.000 0.799 73 E CB 0.031 29.735 29.700 0.006 0.000 0.748 73 E HN 0.185 nan 8.360 nan 0.000 0.449 74 L N 0.455 121.630 121.223 -0.079 0.000 2.017 74 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 74 L C 2.570 179.333 176.870 -0.178 0.000 1.073 74 L CA 0.908 55.675 54.840 -0.122 0.000 0.745 74 L CB -0.366 41.594 42.059 -0.165 0.000 0.894 74 L HN 0.256 nan 8.230 nan 0.000 0.432 75 L N -0.799 120.266 121.223 -0.263 0.000 2.042 75 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 75 L C 2.867 179.540 176.870 -0.328 0.000 1.076 75 L CA 1.327 55.883 54.840 -0.474 0.000 0.749 75 L CB -0.508 41.125 42.059 -0.709 0.000 0.893 75 L HN 0.199 nan 8.230 nan 0.000 0.432 76 R N -0.244 120.158 120.500 -0.164 0.000 2.083 76 R HA -0.144 4.196 4.340 -0.001 0.000 0.237 76 R C 2.359 178.638 176.300 -0.036 0.000 1.137 76 R CA 1.474 57.540 56.100 -0.057 0.000 0.951 76 R CB -0.819 29.476 30.300 -0.009 0.000 0.851 76 R HN 0.465 nan 8.270 nan 0.000 0.434 77 G N 0.937 109.716 108.800 -0.036 0.000 2.418 77 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.217 77 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.217 77 G C 1.458 176.353 174.900 -0.008 0.000 1.158 77 G CA 0.429 45.526 45.100 -0.006 0.000 0.771 77 G HN 0.135 nan 8.290 nan 0.000 0.545 78 L N -0.224 120.973 121.223 -0.043 0.000 2.083 78 L HA -0.117 4.223 4.340 -0.001 0.000 0.209 78 L C 3.001 179.881 176.870 0.015 0.000 1.083 78 L CA 1.466 56.296 54.840 -0.016 0.000 0.752 78 L CB -0.331 41.700 42.059 -0.047 0.000 0.899 78 L HN 0.309 nan 8.230 nan 0.000 0.433 79 Q N -0.165 119.632 119.800 -0.005 0.000 2.079 79 Q HA -0.223 4.116 4.340 -0.001 0.000 0.200 79 Q C 1.665 177.696 176.000 0.051 0.000 0.974 79 Q CA 1.633 57.478 55.803 0.071 0.000 0.840 79 Q CB 0.137 28.962 28.738 0.145 0.000 0.898 79 Q HN 0.444 nan 8.270 nan 0.000 0.430 80 D N 0.645 121.067 120.400 0.035 0.000 2.144 80 D HA -0.133 4.506 4.640 -0.001 0.000 0.199 80 D C 1.149 177.466 176.300 0.028 0.000 0.984 80 D CA 0.997 55.016 54.000 0.032 0.000 0.834 80 D CB -0.159 40.658 40.800 0.028 0.000 0.955 80 D HN 0.288 nan 8.370 nan 0.000 0.465 81 D N -0.636 119.781 120.400 0.030 0.000 2.348 81 D HA 0.033 4.672 4.640 -0.001 0.000 0.216 81 D C 1.656 177.979 176.300 0.039 0.000 0.970 81 D CA 1.060 55.080 54.000 0.033 0.000 0.889 81 D CB 0.229 41.050 40.800 0.035 0.000 0.912 81 D HN 0.318 nan 8.370 nan 0.000 0.524 82 G N -0.029 108.791 108.800 0.033 0.000 2.176 82 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.253 82 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.253 82 G C 1.297 176.229 174.900 0.053 0.000 0.979 82 G CA 0.474 45.583 45.100 0.014 0.000 0.641 82 G HN 0.318 nan 8.290 nan 0.000 0.530 83 V N 0.365 120.344 119.914 0.109 0.000 2.323 83 V HA 0.182 4.301 4.120 -0.001 0.000 0.244 83 V C 1.700 177.960 176.094 0.277 0.000 1.041 83 V CA 1.732 64.156 62.300 0.207 0.000 1.025 83 V CB -0.198 31.747 31.823 0.203 0.000 0.656 83 V HN 0.400 nan 8.190 nan 0.000 0.451 84 L N 0.024 121.389 121.223 0.238 0.000 2.295 84 L HA 0.454 4.793 4.340 -0.001 0.000 0.285 84 L C -0.691 176.382 176.870 0.339 0.000 1.035 84 L CA -0.559 54.505 54.840 0.374 0.000 0.806 84 L CB 1.171 43.437 42.059 0.344 0.000 1.214 84 L HN 0.295 nan 8.230 nan 0.000 0.426 85 H N 3.001 122.297 119.070 0.376 0.000 2.467 85 H HA 0.319 4.874 4.556 -0.001 0.000 0.326 85 H C -2.211 173.296 175.328 0.299 0.000 1.094 85 H CA -1.772 54.450 56.048 0.292 0.000 1.253 85 H CB 0.880 30.760 29.762 0.196 0.000 1.439 85 H HN 0.325 nan 8.280 nan 0.000 0.479 86 P HA 0.048 nan 4.420 nan 0.000 0.272 86 P C -0.527 176.669 177.300 -0.173 0.000 1.230 86 P CA -0.231 62.674 63.100 -0.326 0.000 0.788 86 P CB 1.198 32.666 31.700 -0.388 0.000 0.949 87 L N 3.596 124.642 121.223 -0.294 0.000 2.435 87 L HA 0.274 4.614 4.340 -0.001 0.000 0.253 87 L C -1.396 175.320 176.870 -0.257 0.000 1.087 87 L CA -1.622 53.124 54.840 -0.156 0.000 0.950 87 L CB 1.624 43.716 42.059 0.055 0.000 1.304 87 L HN 0.227 nan 8.230 nan 0.000 0.453 88 P HA -0.133 nan 4.420 nan 0.000 0.234 88 P C 1.226 178.367 177.300 -0.266 0.000 1.167 88 P CA 0.666 63.633 63.100 -0.222 0.000 0.763 88 P CB 0.392 31.997 31.700 -0.158 0.000 0.835 89 K N -0.684 119.444 120.400 -0.454 0.000 2.211 89 K HA -0.081 4.238 4.320 -0.001 0.000 0.203 89 K C 0.392 176.678 176.600 -0.523 0.000 1.050 89 K CA 1.019 56.946 56.287 -0.600 0.000 0.945 89 K CB -0.291 31.646 32.500 -0.939 0.000 0.732 89 K HN 0.093 nan 8.250 nan 0.000 0.451 90 Y N -0.807 119.463 120.300 -0.050 0.000 2.675 90 Y HA 0.298 4.847 4.550 -0.001 0.000 0.328 90 Y C -0.493 175.393 175.900 -0.024 0.000 1.092 90 Y CA -2.393 55.696 58.100 -0.017 0.000 1.190 90 Y CB 0.268 38.746 38.460 0.029 0.000 1.350 90 Y HN -0.171 nan 8.280 nan 0.000 0.525 91 D N 1.205 121.726 120.400 0.201 0.000 2.411 91 D HA 0.103 4.743 4.640 -0.001 0.000 0.225 91 D C -0.169 176.207 176.300 0.128 0.000 1.156 91 D CA 0.102 54.172 54.000 0.118 0.000 0.874 91 D CB -0.445 40.417 40.800 0.103 0.000 1.034 91 D HN 0.608 nan 8.370 nan 0.000 0.502 92 N N 2.582 121.332 118.700 0.082 0.000 2.756 92 N HA -0.202 4.537 4.740 -0.001 0.000 0.248 92 N C -1.553 174.062 175.510 0.175 0.000 1.062 92 N CA 0.504 53.644 53.050 0.149 0.000 0.696 92 N CB -1.557 37.077 38.487 0.246 0.000 0.946 92 N HN 0.321 nan 8.380 nan 0.000 0.548 93 C N 0.016 119.311 119.300 -0.009 0.000 2.454 93 C HA 0.820 5.279 4.460 -0.001 0.000 0.336 93 C C -0.091 174.800 174.990 -0.166 0.000 1.189 93 C CA -0.495 58.629 59.018 0.177 0.000 1.877 93 C CB 0.487 28.491 27.740 0.441 0.000 2.348 93 C HN 0.523 nan 8.230 nan 0.000 0.508 94 W N 1.370 122.890 121.300 0.366 0.000 3.107 94 W HA 0.657 5.317 4.660 -0.001 0.000 0.331 94 W C -0.931 175.839 176.519 0.417 0.000 1.204 94 W CA -0.618 56.926 57.345 0.331 0.000 1.184 94 W CB 1.106 30.713 29.460 0.245 0.000 1.421 94 W HN 0.383 nan 8.180 nan 0.000 0.544 95 L N 2.792 124.378 121.223 0.605 0.000 2.356 95 L HA 0.923 5.263 4.340 -0.001 0.000 0.277 95 L C -0.542 176.632 176.870 0.507 0.000 0.996 95 L CA -0.595 54.548 54.840 0.505 0.000 0.822 95 L CB 1.049 43.305 42.059 0.328 0.000 1.256 95 L HN 0.502 nan 8.230 nan 0.000 0.413 96 A N 5.464 128.557 122.820 0.454 0.000 2.325 96 A HA 0.906 5.226 4.320 -0.001 0.000 0.333 96 A C -0.469 177.247 177.584 0.220 0.000 1.155 96 A CA -0.693 51.577 52.037 0.389 0.000 0.814 96 A CB 0.905 20.171 19.000 0.444 0.000 1.206 96 A HN 0.793 nan 8.150 nan 0.000 0.482 97 R N -0.020 120.578 120.500 0.163 0.000 2.803 97 R HA 0.672 5.012 4.340 -0.001 0.000 0.276 97 R C -0.343 175.825 176.300 -0.219 0.000 0.978 97 R CA -0.438 55.683 56.100 0.035 0.000 0.939 97 R CB 2.207 32.581 30.300 0.123 0.000 1.179 97 R HN 0.869 nan 8.270 nan 0.000 0.472 98 T N -2.501 111.803 114.554 -0.417 0.000 2.950 98 T HA 0.203 4.553 4.350 -0.001 0.000 0.288 98 T C -0.112 174.395 174.700 -0.323 0.000 1.035 98 T CA -0.969 60.546 62.100 -0.975 0.000 1.028 98 T CB 1.573 69.542 68.868 -1.499 0.000 1.109 98 T HN 0.427 nan 8.240 nan 0.000 0.514 99 D N 1.476 121.731 120.400 -0.241 0.000 2.493 99 D HA 0.109 4.748 4.640 -0.001 0.000 0.240 99 D C -1.455 174.873 176.300 0.046 0.000 1.142 99 D CA -1.569 52.460 54.000 0.048 0.000 0.872 99 D CB 1.356 42.290 40.800 0.223 0.000 1.173 99 D HN 0.229 nan 8.370 nan 0.000 0.467 100 P HA -0.084 nan 4.420 nan 0.000 0.223 100 P C 0.821 178.197 177.300 0.126 0.000 1.144 100 P CA 1.016 64.253 63.100 0.228 0.000 0.783 100 P CB 0.191 31.971 31.700 0.134 0.000 0.771 101 R N -1.342 119.208 120.500 0.083 0.000 2.297 101 R HA 0.054 4.393 4.340 -0.001 0.000 0.197 101 R C 0.284 176.612 176.300 0.047 0.000 0.943 101 R CA 0.448 56.588 56.100 0.066 0.000 1.038 101 R CB -0.085 30.262 30.300 0.077 0.000 0.957 101 R HN 0.081 nan 8.270 nan 0.000 0.484 102 D N 0.336 120.755 120.400 0.031 0.000 2.412 102 D HA 0.073 4.712 4.640 -0.001 0.000 0.276 102 D C 0.330 176.544 176.300 -0.144 0.000 1.196 102 D CA -0.296 53.731 54.000 0.045 0.000 0.905 102 D CB 1.239 42.216 40.800 0.295 0.000 1.081 102 D HN -0.032 nan 8.370 nan 0.000 0.502 103 V N 0.186 119.906 119.914 -0.324 0.000 3.398 103 V HA 0.847 4.967 4.120 -0.001 0.000 0.298 103 V C 0.411 175.911 176.094 -0.991 0.000 1.496 103 V CA 0.387 62.307 62.300 -0.633 0.000 1.044 103 V CB -0.057 31.222 31.823 -0.907 0.000 0.880 103 V HN 0.409 nan 8.190 nan 0.000 0.443 104 A N 0.045 122.250 122.820 -1.026 0.000 2.586 104 A HA 0.709 5.028 4.320 -0.001 0.000 0.290 104 A C -0.477 176.804 177.584 -0.506 0.000 1.086 104 A CA -1.045 50.328 52.037 -1.107 0.000 0.665 104 A CB 0.940 19.687 19.000 -0.422 0.000 1.279 104 A HN 0.243 nan 8.150 nan 0.000 0.423 105 R N -0.278 120.185 120.500 -0.062 0.000 2.619 105 R HA 0.239 4.579 4.340 -0.001 0.000 0.268 105 R C -0.774 175.565 176.300 0.064 0.000 0.990 105 R CA 0.343 56.543 56.100 0.165 0.000 1.092 105 R CB 0.121 30.558 30.300 0.228 0.000 0.935 105 R HN 0.383 nan 8.270 nan 0.000 0.415 106 V N 3.935 123.910 119.914 0.102 0.000 2.275 106 V HA 0.056 4.176 4.120 -0.001 0.000 0.272 106 V C 0.889 177.031 176.094 0.080 0.000 1.028 106 V CA -0.203 62.140 62.300 0.072 0.000 0.810 106 V CB 0.952 32.825 31.823 0.084 0.000 1.043 106 V HN 0.818 nan 8.190 nan 0.000 0.453 107 E N 2.132 122.361 120.200 0.049 0.000 2.110 107 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 107 E C 2.168 178.797 176.600 0.049 0.000 0.988 107 E CA 1.539 57.960 56.400 0.035 0.000 0.804 107 E CB 0.055 29.747 29.700 -0.012 0.000 0.745 107 E HN 0.857 nan 8.360 nan 0.000 0.458 108 S N 0.745 116.474 115.700 0.048 0.000 2.442 108 S HA -0.110 4.359 4.470 -0.001 0.000 0.236 108 S C 1.537 176.179 174.600 0.070 0.000 1.007 108 S CA 0.914 59.146 58.200 0.052 0.000 0.965 108 S CB -0.034 63.193 63.200 0.046 0.000 0.773 108 S HN 0.105 nan 8.310 nan 0.000 0.504 109 K N 0.870 121.324 120.400 0.089 0.000 2.399 109 K HA 0.224 4.543 4.320 -0.001 0.000 0.204 109 K C -0.558 176.127 176.600 0.141 0.000 1.023 109 K CA -0.025 56.329 56.287 0.111 0.000 1.127 109 K CB 0.866 33.436 32.500 0.118 0.000 0.856 109 K HN 0.210 nan 8.250 nan 0.000 0.514 110 T N 1.791 116.429 114.554 0.139 0.000 2.771 110 T HA 0.391 4.740 4.350 -0.001 0.000 0.281 110 T C -0.495 174.303 174.700 0.163 0.000 0.982 110 T CA -0.661 61.553 62.100 0.190 0.000 0.978 110 T CB 1.496 70.479 68.868 0.190 0.000 0.930 110 T HN 0.011 nan 8.240 nan 0.000 0.447 111 V N 1.699 121.739 119.914 0.210 0.000 3.049 111 V HA 0.720 4.839 4.120 -0.001 0.000 0.309 111 V C -1.209 174.989 176.094 0.173 0.000 1.148 111 V CA -1.312 61.071 62.300 0.138 0.000 0.990 111 V CB 1.785 33.644 31.823 0.060 0.000 1.039 111 V HN 0.751 nan 8.190 nan 0.000 0.430 112 L N 2.973 124.255 121.223 0.099 0.000 2.296 112 L HA 0.713 5.052 4.340 -0.001 0.000 0.286 112 L C -0.706 176.163 176.870 -0.003 0.000 1.023 112 L CA -0.859 54.041 54.840 0.099 0.000 0.812 112 L CB 1.891 44.041 42.059 0.153 0.000 1.223 112 L HN 0.557 nan 8.230 nan 0.000 0.421 113 V N 2.108 121.969 119.914 -0.088 0.000 2.334 113 V HA 0.553 4.672 4.120 -0.001 0.000 0.281 113 V C 0.095 176.178 176.094 -0.019 0.000 1.016 113 V CA -0.338 61.837 62.300 -0.208 0.000 0.832 113 V CB 1.411 32.954 31.823 -0.467 0.000 0.999 113 V HN 0.923 nan 8.190 nan 0.000 0.439 114 T N 2.451 117.115 114.554 0.184 0.000 2.916 114 T HA 0.497 4.847 4.350 -0.001 0.000 0.305 114 T C -2.413 172.521 174.700 0.391 0.000 1.119 114 T CA -1.876 60.386 62.100 0.270 0.000 1.008 114 T CB 2.536 71.578 68.868 0.289 0.000 1.129 114 T HN 0.226 nan 8.240 nan 0.000 0.480 115 P HA -0.023 nan 4.420 nan 0.000 0.216 115 P C 0.146 177.596 177.300 0.250 0.000 1.153 115 P CA 1.228 64.458 63.100 0.217 0.000 0.858 115 P CB 0.168 31.934 31.700 0.110 0.000 0.789 116 E N -0.653 119.628 120.200 0.136 0.000 2.151 116 E HA 0.087 4.436 4.350 -0.001 0.000 0.275 116 E C 0.646 177.057 176.600 -0.314 0.000 0.936 116 E CA -0.320 56.045 56.400 -0.058 0.000 0.777 116 E CB 1.348 31.009 29.700 -0.066 0.000 1.108 116 E HN 0.136 nan 8.360 nan 0.000 0.401 117 Q N 2.343 121.605 119.800 -0.897 0.000 2.135 117 Q HA -0.181 4.158 4.340 -0.001 0.000 0.204 117 Q C 1.576 177.162 176.000 -0.690 0.000 0.981 117 Q CA 2.144 56.985 55.803 -1.603 0.000 0.856 117 Q CB 0.151 27.790 28.738 -1.832 0.000 0.902 117 Q HN 0.536 nan 8.270 nan 0.000 0.425 118 S N -0.324 115.127 115.700 -0.415 0.000 2.447 118 S HA -0.125 4.344 4.470 -0.001 0.000 0.233 118 S C 1.111 175.628 174.600 -0.139 0.000 1.006 118 S CA 1.113 59.172 58.200 -0.235 0.000 0.957 118 S CB -0.132 62.965 63.200 -0.171 0.000 0.773 118 S HN 0.363 nan 8.310 nan 0.000 0.507 119 D N 1.986 122.319 120.400 -0.111 0.000 2.264 119 D HA 0.175 4.815 4.640 -0.001 0.000 0.208 119 D C 1.898 178.225 176.300 0.044 0.000 0.966 119 D CA 1.189 55.182 54.000 -0.011 0.000 0.864 119 D CB -0.223 40.585 40.800 0.013 0.000 0.933 119 D HN 0.611 nan 8.370 nan 0.000 0.499 120 A N -0.267 122.550 122.820 -0.005 0.000 1.993 120 A HA 0.334 4.653 4.320 -0.001 0.000 0.207 120 A C 0.837 178.411 177.584 -0.017 0.000 1.224 120 A CA 0.601 52.680 52.037 0.069 0.000 0.749 120 A CB 0.497 19.636 19.000 0.232 0.000 0.884 120 A HN 0.099 nan 8.150 nan 0.000 0.467 121 V N -4.833 115.019 119.914 -0.102 0.000 3.178 121 V HA 0.631 4.750 4.120 -0.001 0.000 0.302 121 V C -3.484 172.496 176.094 -0.190 0.000 1.262 121 V CA -2.527 59.681 62.300 -0.153 0.000 1.030 121 V CB 1.484 33.248 31.823 -0.097 0.000 1.074 121 V HN 0.054 nan 8.190 nan 0.000 0.438 122 P HA 0.456 nan 4.420 nan 0.000 0.277 122 P C -2.820 174.375 177.300 -0.175 0.000 1.276 122 P CA -1.314 61.662 63.100 -0.208 0.000 0.788 122 P CB -0.560 30.966 31.700 -0.290 0.000 1.114 123 P HA 0.134 nan 4.420 nan 0.000 0.269 123 P C -2.186 175.048 177.300 -0.110 0.000 1.209 123 P CA -0.842 62.188 63.100 -0.115 0.000 0.776 123 P CB -1.247 30.401 31.700 -0.087 0.000 0.876 124 P HA 0.111 nan 4.420 nan 0.000 0.266 124 P C -2.477 174.785 177.300 -0.064 0.000 1.195 124 P CA -1.197 61.864 63.100 -0.066 0.000 0.768 124 P CB -0.886 30.792 31.700 -0.038 0.000 0.838 125 P HA -0.023 nan 4.420 nan 0.000 0.258 125 P C -1.494 175.785 177.300 -0.036 0.000 1.172 125 P CA -0.531 62.536 63.100 -0.055 0.000 0.762 125 P CB -0.477 31.197 31.700 -0.044 0.000 0.764 126 P HA -0.115 nan 4.420 nan 0.000 0.222 126 P C 0.638 177.930 177.300 -0.015 0.000 1.147 126 P CA 1.355 64.441 63.100 -0.023 0.000 0.790 126 P CB 0.087 31.775 31.700 -0.021 0.000 0.780 127 S N -1.383 114.309 115.700 -0.013 0.000 2.593 127 S HA 0.325 4.794 4.470 -0.001 0.000 0.217 127 S C 1.591 176.188 174.600 -0.004 0.000 0.966 127 S CA 0.618 58.814 58.200 -0.006 0.000 0.914 127 S CB -0.323 62.875 63.200 -0.003 0.000 0.776 127 S HN 0.387 nan 8.310 nan 0.000 0.523 128 G N 1.203 109.999 108.800 -0.007 0.000 2.176 128 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.232 128 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.232 128 G C 0.351 175.251 174.900 0.000 0.000 0.986 128 G CA -0.400 44.699 45.100 -0.003 0.000 0.643 128 G HN 0.791 nan 8.290 nan 0.000 0.522 129 G N 0.639 109.438 108.800 -0.001 0.000 2.664 129 G HA2 0.510 4.469 3.960 -0.001 0.000 0.242 129 G HA3 0.510 4.469 3.960 -0.001 0.000 0.242 129 G C -1.299 173.603 174.900 0.002 0.000 1.225 129 G CA -0.045 45.057 45.100 0.004 0.000 0.849 129 G HN 0.319 nan 8.290 nan 0.000 0.581 130 P HA 0.222 nan 4.420 nan 0.000 0.271 130 P C -2.609 174.692 177.300 0.002 0.000 1.216 130 P CA -1.138 61.967 63.100 0.010 0.000 0.776 130 P CB 0.547 32.257 31.700 0.016 0.000 0.881 131 P HA 0.089 nan 4.420 nan 0.000 0.268 131 P C 0.275 177.568 177.300 -0.012 0.000 1.204 131 P CA 0.228 63.315 63.100 -0.022 0.000 0.768 131 P CB 0.255 31.948 31.700 -0.012 0.000 0.842 132 Q N 1.826 121.612 119.800 -0.025 0.000 2.127 132 Q HA 0.246 4.585 4.340 -0.001 0.000 0.222 132 Q C 0.301 176.310 176.000 0.014 0.000 0.794 132 Q CA -0.028 55.781 55.803 0.011 0.000 1.010 132 Q CB 0.017 28.791 28.738 0.061 0.000 1.170 132 Q HN 0.321 nan 8.270 nan 0.000 0.479 133 L N 0.748 121.944 121.223 -0.044 0.000 2.857 133 L HA 0.582 4.921 4.340 -0.001 0.000 0.249 133 L C 0.353 177.234 176.870 0.017 0.000 1.172 133 L CA 0.062 54.886 54.840 -0.027 0.000 0.980 133 L CB 1.100 42.976 42.059 -0.304 0.000 1.299 133 L HN 0.385 nan 8.230 nan 0.000 0.535 134 G N -0.012 108.795 108.800 0.012 0.000 2.335 134 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.592 134 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.592 134 G C -1.640 173.288 174.900 0.048 0.000 1.442 134 G CA -0.953 44.166 45.100 0.033 0.000 0.976 134 G HN 0.161 nan 8.290 nan 0.000 0.652 135 N N -0.611 118.136 118.700 0.078 0.000 2.362 135 N HA 0.620 5.359 4.740 -0.001 0.000 0.298 135 N C -0.987 174.632 175.510 0.183 0.000 1.048 135 N CA -0.561 52.558 53.050 0.115 0.000 0.858 135 N CB 2.175 40.715 38.487 0.087 0.000 1.218 135 N HN 0.670 nan 8.380 nan 0.000 0.488 136 W N 3.919 125.226 121.300 0.012 0.000 2.551 136 W HA 0.597 5.256 4.660 -0.001 0.000 0.330 136 W C -1.158 175.382 176.519 0.034 0.000 1.063 136 W CA -0.843 56.512 57.345 0.017 0.000 1.222 136 W CB 1.013 30.474 29.460 0.002 0.000 1.349 136 W HN 0.302 nan 8.180 nan 0.000 0.536 137 M N 5.967 125.047 119.600 -0.867 0.000 2.327 137 M HA 0.330 4.809 4.480 -0.001 0.000 0.298 137 M C -0.191 175.256 176.300 -1.421 0.000 1.065 137 M CA -0.557 54.199 55.300 -0.906 0.000 0.916 137 M CB 1.655 34.057 32.600 -0.331 0.000 1.630 137 M HN 0.541 nan 8.290 nan 0.000 0.442 138 S N 4.340 119.212 115.700 -1.381 0.000 2.579 138 S HA 0.323 4.792 4.470 -0.001 0.000 0.275 138 S C -2.240 172.207 174.600 -0.254 0.000 1.345 138 S CA -0.768 56.971 58.200 -0.770 0.000 1.031 138 S CB 0.416 63.420 63.200 -0.326 0.000 0.892 138 S HN 0.622 nan 8.310 nan 0.000 0.529 139 P HA -0.178 nan 4.420 nan 0.000 0.216 139 P C 1.632 178.977 177.300 0.076 0.000 1.153 139 P CA 1.290 64.431 63.100 0.070 0.000 0.858 139 P CB -0.152 31.596 31.700 0.079 0.000 0.789 140 N N -0.073 118.643 118.700 0.026 0.000 2.043 140 N HA -0.214 4.525 4.740 -0.001 0.000 0.193 140 N C 1.607 177.108 175.510 -0.015 0.000 1.037 140 N CA 2.048 55.103 53.050 0.008 0.000 0.851 140 N CB -0.481 38.014 38.487 0.013 0.000 1.027 140 N HN -0.003 nan 8.380 nan 0.000 0.422 141 A N 0.374 123.173 122.820 -0.034 0.000 1.898 141 A HA -0.103 4.217 4.320 -0.001 0.000 0.216 141 A C 2.078 179.654 177.584 -0.014 0.000 1.181 141 A CA 0.978 52.989 52.037 -0.043 0.000 0.620 141 A CB -1.017 17.932 19.000 -0.084 0.000 0.819 141 A HN 0.508 nan 8.150 nan 0.000 0.442 142 F N 0.927 120.801 119.950 -0.128 0.000 2.075 142 F HA -0.216 4.310 4.527 -0.001 0.000 0.297 142 F C 2.376 178.141 175.800 -0.059 0.000 1.113 142 F CA 2.254 60.197 58.000 -0.095 0.000 1.218 142 F CB -0.752 38.184 39.000 -0.107 0.000 0.984 142 F HN 0.322 nan 8.300 nan 0.000 0.472 143 Q N 0.407 120.029 119.800 -0.297 0.000 2.077 143 Q HA -0.229 4.110 4.340 -0.001 0.000 0.206 143 Q C 2.478 178.306 176.000 -0.288 0.000 0.989 143 Q CA 2.117 57.705 55.803 -0.358 0.000 0.853 143 Q CB -0.711 27.949 28.738 -0.130 0.000 0.907 143 Q HN 0.565 nan 8.270 nan 0.000 0.418 144 A N 0.850 123.565 122.820 -0.175 0.000 1.933 144 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 144 A C 2.276 179.767 177.584 -0.154 0.000 1.175 144 A CA 1.645 53.603 52.037 -0.131 0.000 0.628 144 A CB -0.849 18.102 19.000 -0.081 0.000 0.814 144 A HN 0.421 nan 8.150 nan 0.000 0.444 145 A N -0.621 122.093 122.820 -0.178 0.000 1.898 145 A HA 0.028 4.348 4.320 -0.001 0.000 0.216 145 A C 2.209 179.665 177.584 -0.212 0.000 1.181 145 A CA 1.654 53.594 52.037 -0.161 0.000 0.620 145 A CB -0.892 18.056 19.000 -0.087 0.000 0.819 145 A HN 0.377 nan 8.150 nan 0.000 0.442 146 V N 0.158 119.882 119.914 -0.317 0.000 2.332 146 V HA -0.262 3.858 4.120 -0.001 0.000 0.248 146 V C 2.637 178.669 176.094 -0.104 0.000 1.055 146 V CA 2.057 64.240 62.300 -0.194 0.000 1.038 146 V CB -0.689 30.856 31.823 -0.465 0.000 0.651 146 V HN 0.545 nan 8.190 nan 0.000 0.450 147 Q N -0.367 119.339 119.800 -0.156 0.000 2.297 147 Q HA -0.137 4.202 4.340 -0.001 0.000 0.204 147 Q C 2.108 178.043 176.000 -0.107 0.000 0.962 147 Q CA 1.015 56.754 55.803 -0.106 0.000 0.879 147 Q CB -0.196 28.482 28.738 -0.100 0.000 0.947 147 Q HN 0.721 nan 8.270 nan 0.000 0.462 148 E N -0.075 120.038 120.200 -0.144 0.000 2.285 148 E HA -0.061 4.288 4.350 -0.001 0.000 0.194 148 E C 1.765 178.224 176.600 -0.235 0.000 0.997 148 E CA 0.473 56.780 56.400 -0.154 0.000 0.845 148 E CB 0.253 29.866 29.700 -0.144 0.000 0.782 148 E HN 0.218 nan 8.360 nan 0.000 0.491 149 R N -0.857 119.415 120.500 -0.380 0.000 2.098 149 R HA 0.142 4.481 4.340 -0.001 0.000 0.203 149 R C 1.797 177.696 176.300 -0.667 0.000 1.166 149 R CA 0.296 55.880 56.100 -0.861 0.000 1.090 149 R CB -0.064 29.221 30.300 -1.692 0.000 0.992 149 R HN 0.036 nan 8.270 nan 0.000 0.477 150 F N 1.462 121.197 119.950 -0.359 0.000 2.293 150 F HA 0.108 4.634 4.527 -0.001 0.000 0.297 150 F C -1.339 174.438 175.800 -0.039 0.000 1.089 150 F CA -0.390 57.549 58.000 -0.101 0.000 1.377 150 F CB -0.880 38.079 39.000 -0.068 0.000 1.051 150 F HN -0.204 nan 8.300 nan 0.000 0.511 151 P HA 0.066 nan 4.420 nan 0.000 0.258 151 P C 0.646 177.971 177.300 0.042 0.000 1.187 151 P CA 1.522 64.653 63.100 0.052 0.000 0.767 151 P CB 0.038 31.744 31.700 0.009 0.000 0.770 152 G N 3.086 111.916 108.800 0.050 0.000 2.155 152 G HA2 -0.380 3.579 3.960 -0.001 0.000 0.257 152 G HA3 -0.380 3.579 3.960 -0.001 0.000 0.257 152 G C 1.094 176.019 174.900 0.043 0.000 0.983 152 G CA 0.248 45.369 45.100 0.034 0.000 0.676 152 G HN 0.686 nan 8.290 nan 0.000 0.528 153 C N -1.512 117.834 119.300 0.075 0.000 2.437 153 C HA 0.480 4.940 4.460 -0.001 0.000 0.283 153 C C 2.242 177.250 174.990 0.030 0.000 1.424 153 C CA 1.279 60.342 59.018 0.076 0.000 1.782 153 C CB -0.604 27.227 27.740 0.152 0.000 1.833 153 C HN 0.484 nan 8.230 nan 0.000 0.532 154 M N 1.222 120.842 119.600 0.033 0.000 2.475 154 M HA 0.316 4.795 4.480 -0.001 0.000 0.283 154 M C 0.981 177.279 176.300 -0.004 0.000 1.165 154 M CA -0.097 55.208 55.300 0.008 0.000 0.976 154 M CB 0.093 32.704 32.600 0.018 0.000 1.428 154 M HN 0.360 nan 8.290 nan 0.000 0.495 155 A N 0.663 123.482 122.820 -0.001 0.000 2.567 155 A HA 0.374 4.693 4.320 -0.001 0.000 0.240 155 A C 1.461 179.038 177.584 -0.012 0.000 1.053 155 A CA 1.088 53.121 52.037 -0.006 0.000 0.755 155 A CB -0.532 18.467 19.000 -0.002 0.000 0.978 155 A HN 0.889 nan 8.150 nan 0.000 0.507 156 G N 2.202 110.993 108.800 -0.016 0.000 2.184 156 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.264 156 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.264 156 G C 0.380 175.267 174.900 -0.021 0.000 0.975 156 G CA 0.811 45.901 45.100 -0.017 0.000 0.642 156 G HN 0.964 nan 8.290 nan 0.000 0.536 157 R N 0.441 120.926 120.500 -0.026 0.000 2.664 157 R HA 0.507 4.846 4.340 -0.001 0.000 0.286 157 R C -2.820 173.441 176.300 -0.065 0.000 0.967 157 R CA -2.106 53.977 56.100 -0.028 0.000 0.933 157 R CB 1.641 31.933 30.300 -0.014 0.000 1.146 157 R HN 0.035 nan 8.270 nan 0.000 0.468 158 P HA 0.042 nan 4.420 nan 0.000 0.271 158 P C -0.853 176.276 177.300 -0.286 0.000 1.216 158 P CA -0.218 62.723 63.100 -0.265 0.000 0.776 158 P CB 0.585 32.014 31.700 -0.451 0.000 0.881 159 L N 4.536 125.601 121.223 -0.263 0.000 2.292 159 L HA 0.418 4.758 4.340 -0.001 0.000 0.284 159 L C -1.023 175.683 176.870 -0.273 0.000 1.065 159 L CA -0.554 54.189 54.840 -0.162 0.000 0.806 159 L CB 0.182 42.193 42.059 -0.080 0.000 1.175 159 L HN 0.294 nan 8.230 nan 0.000 0.431 160 Y N 3.781 124.092 120.300 0.018 0.000 2.341 160 Y HA 0.471 5.020 4.550 -0.001 0.000 0.337 160 Y C -0.096 175.827 175.900 0.038 0.000 1.014 160 Y CA -0.719 57.394 58.100 0.021 0.000 1.111 160 Y CB 1.878 40.351 38.460 0.022 0.000 1.194 160 Y HN 0.198 nan 8.280 nan 0.000 0.462 161 V N 5.729 125.747 119.914 0.173 0.000 2.347 161 V HA 0.355 4.474 4.120 -0.001 0.000 0.280 161 V C -0.194 175.996 176.094 0.160 0.000 1.021 161 V CA -0.706 61.677 62.300 0.139 0.000 0.847 161 V CB 0.864 32.729 31.823 0.070 0.000 0.990 161 V HN 0.589 nan 8.190 nan 0.000 0.444 162 I N 7.525 128.216 120.570 0.202 0.000 2.428 162 I HA 0.355 4.524 4.170 -0.001 0.000 0.279 162 I C -2.573 173.724 176.117 0.301 0.000 1.040 162 I CA -1.927 59.499 61.300 0.210 0.000 1.171 162 I CB 1.944 40.046 38.000 0.171 0.000 1.312 162 I HN 0.419 nan 8.210 nan 0.000 0.470 163 P HA 0.273 nan 4.420 nan 0.000 0.282 163 P C -0.995 176.433 177.300 0.212 0.000 1.262 163 P CA -0.060 63.113 63.100 0.123 0.000 0.773 163 P CB 0.327 32.038 31.700 0.019 0.000 0.879 164 F N -0.173 119.807 119.950 0.050 0.000 2.613 164 F HA 0.770 5.297 4.527 -0.001 0.000 0.310 164 F C -0.829 175.003 175.800 0.052 0.000 1.085 164 F CA -1.306 56.718 58.000 0.039 0.000 0.945 164 F CB 1.364 40.386 39.000 0.037 0.000 1.298 164 F HN 0.148 nan 8.300 nan 0.000 0.455 165 S N 3.058 118.830 115.700 0.119 0.000 2.454 165 S HA 0.645 5.114 4.470 -0.001 0.000 0.306 165 S C -0.688 173.932 174.600 0.034 0.000 1.100 165 S CA -0.790 57.419 58.200 0.014 0.000 1.087 165 S CB 0.725 63.917 63.200 -0.013 0.000 1.019 165 S HN 0.615 nan 8.310 nan 0.000 0.480 166 M N 4.361 123.908 119.600 -0.087 0.000 2.151 166 M HA 0.438 4.917 4.480 -0.001 0.000 0.349 166 M C 0.759 176.869 176.300 -0.316 0.000 1.284 166 M CA 0.187 55.305 55.300 -0.302 0.000 1.173 166 M CB -0.500 31.744 32.600 -0.592 0.000 1.469 166 M HN 1.023 nan 8.290 nan 0.000 0.439 167 G N 5.723 114.353 108.800 -0.284 0.000 2.612 167 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.686 167 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.686 167 G C -3.327 171.477 174.900 -0.160 0.000 1.274 167 G CA -1.419 43.545 45.100 -0.227 0.000 0.849 167 G HN 0.380 nan 8.290 nan 0.000 0.595 168 P HA 0.247 nan 4.420 nan 0.000 0.263 168 P C -1.778 175.456 177.300 -0.109 0.000 1.195 168 P CA -0.873 62.127 63.100 -0.166 0.000 0.762 168 P CB 0.489 32.069 31.700 -0.199 0.000 0.799 169 P HA -0.187 nan 4.420 nan 0.000 0.218 169 P C 1.109 178.378 177.300 -0.052 0.000 1.146 169 P CA 1.794 64.860 63.100 -0.056 0.000 0.820 169 P CB -0.369 31.302 31.700 -0.047 0.000 0.778 170 T N -5.996 108.519 114.554 -0.064 0.000 3.086 170 T HA 0.147 4.496 4.350 -0.001 0.000 0.250 170 T C 0.802 175.464 174.700 -0.063 0.000 1.074 170 T CA -0.307 61.758 62.100 -0.057 0.000 0.988 170 T CB -0.552 68.281 68.868 -0.058 0.000 0.988 170 T HN -0.051 nan 8.240 nan 0.000 0.530 171 S N 2.328 117.985 115.700 -0.072 0.000 2.564 171 S HA 0.279 4.748 4.470 -0.001 0.000 0.278 171 S C -1.589 172.970 174.600 -0.068 0.000 1.333 171 S CA -1.327 56.827 58.200 -0.076 0.000 1.048 171 S CB 1.011 64.160 63.200 -0.086 0.000 0.900 171 S HN 0.071 nan 8.310 nan 0.000 0.505 172 P HA 0.039 nan 4.420 nan 0.000 0.226 172 P C 0.612 177.831 177.300 -0.135 0.000 1.153 172 P CA 0.515 63.562 63.100 -0.087 0.000 0.777 172 P CB 0.124 31.775 31.700 -0.082 0.000 0.794 173 L N -1.742 119.401 121.223 -0.134 0.000 2.567 173 L HA 0.221 4.560 4.340 -0.001 0.000 0.225 173 L C 1.197 178.041 176.870 -0.043 0.000 1.119 173 L CA -0.229 54.494 54.840 -0.194 0.000 0.871 173 L CB -1.190 40.792 42.059 -0.129 0.000 1.036 173 L HN -0.184 nan 8.230 nan 0.000 0.459 174 A N -0.033 122.785 122.820 -0.003 0.000 2.386 174 A HA 0.505 4.824 4.320 -0.001 0.000 0.248 174 A C 0.220 177.890 177.584 0.143 0.000 1.082 174 A CA -0.105 51.981 52.037 0.082 0.000 0.789 174 A CB 0.303 19.300 19.000 -0.004 0.000 1.025 174 A HN 0.028 nan 8.150 nan 0.000 0.490 175 K N 1.366 121.929 120.400 0.271 0.000 2.422 175 K HA 0.539 4.859 4.320 -0.001 0.000 0.251 175 K C -1.212 175.534 176.600 0.243 0.000 0.933 175 K CA -0.335 56.137 56.287 0.308 0.000 0.798 175 K CB 1.913 34.732 32.500 0.531 0.000 1.238 175 K HN 0.649 nan 8.250 nan 0.000 0.428 176 L N 0.682 122.036 121.223 0.217 0.000 2.344 176 L HA 0.732 5.072 4.340 -0.001 0.000 0.272 176 L C 0.777 177.701 176.870 0.091 0.000 1.035 176 L CA -0.831 54.047 54.840 0.062 0.000 0.807 176 L CB 1.722 43.795 42.059 0.023 0.000 1.237 176 L HN 0.732 nan 8.230 nan 0.000 0.442 177 G N 0.457 109.010 108.800 -0.412 0.000 2.694 177 G HA2 0.649 4.609 3.960 -0.001 0.000 0.290 177 G HA3 0.649 4.609 3.960 -0.001 0.000 0.290 177 G C -1.764 172.876 174.900 -0.433 0.000 1.386 177 G CA -0.410 44.417 45.100 -0.455 0.000 0.872 177 G HN 0.276 nan 8.290 nan 0.000 0.475 178 V N 0.479 120.437 119.914 0.074 0.000 2.443 178 V HA 0.477 4.596 4.120 -0.001 0.000 0.293 178 V C -0.279 176.162 176.094 0.577 0.000 1.021 178 V CA -0.623 61.834 62.300 0.262 0.000 0.848 178 V CB 1.358 33.282 31.823 0.168 0.000 0.998 178 V HN 0.833 nan 8.190 nan 0.000 0.424 179 Q N 3.823 124.020 119.800 0.662 0.000 2.307 179 Q HA 0.710 5.049 4.340 -0.001 0.000 0.262 179 Q C -0.822 175.415 176.000 0.396 0.000 0.961 179 Q CA -0.574 55.552 55.803 0.539 0.000 0.882 179 Q CB 2.090 31.044 28.738 0.359 0.000 1.264 179 Q HN 0.779 nan 8.270 nan 0.000 0.446 180 V N 1.016 121.159 119.914 0.382 0.000 2.532 180 V HA 0.904 5.024 4.120 -0.001 0.000 0.295 180 V C -0.431 175.824 176.094 0.268 0.000 1.041 180 V CA -0.230 62.210 62.300 0.232 0.000 0.926 180 V CB 1.601 33.453 31.823 0.048 0.000 0.992 180 V HN 0.837 nan 8.190 nan 0.000 0.457 181 T N 1.507 116.215 114.554 0.257 0.000 2.840 181 T HA 0.458 4.807 4.350 -0.001 0.000 0.317 181 T C -0.864 174.009 174.700 0.287 0.000 1.401 181 T CA 0.239 62.527 62.100 0.313 0.000 1.028 181 T CB 2.001 71.069 68.868 0.334 0.000 1.317 181 T HN 1.041 nan 8.240 nan 0.000 0.495 182 D N 0.666 121.198 120.400 0.219 0.000 2.462 182 D HA 0.254 4.893 4.640 -0.001 0.000 0.221 182 D C 0.196 176.602 176.300 0.176 0.000 1.173 182 D CA -0.227 53.889 54.000 0.193 0.000 0.831 182 D CB 0.317 41.151 40.800 0.056 0.000 1.001 182 D HN 0.251 nan 8.370 nan 0.000 0.499 183 S N 0.893 116.687 115.700 0.156 0.000 2.520 183 S HA 0.405 4.875 4.470 -0.001 0.000 0.324 183 S C -1.909 172.629 174.600 -0.104 0.000 1.069 183 S CA -1.492 56.729 58.200 0.036 0.000 1.121 183 S CB 1.526 64.760 63.200 0.057 0.000 0.971 183 S HN -0.244 nan 8.310 nan 0.000 0.463 184 P HA -0.122 nan 4.420 nan 0.000 0.218 184 P C 0.973 178.154 177.300 -0.197 0.000 1.148 184 P CA 0.850 63.721 63.100 -0.382 0.000 0.822 184 P CB -0.088 31.483 31.700 -0.215 0.000 0.784 185 Y N 0.374 120.570 120.300 -0.174 0.000 2.165 185 Y HA -0.224 4.325 4.550 -0.001 0.000 0.286 185 Y C 2.052 177.881 175.900 -0.119 0.000 1.155 185 Y CA 1.429 59.473 58.100 -0.093 0.000 1.164 185 Y CB -0.941 37.512 38.460 -0.011 0.000 0.978 185 Y HN -0.278 nan 8.280 nan 0.000 0.513 186 V N -0.783 119.107 119.914 -0.041 0.000 2.343 186 V HA -0.302 3.817 4.120 -0.001 0.000 0.247 186 V C 2.331 178.269 176.094 -0.261 0.000 1.051 186 V CA 1.663 63.859 62.300 -0.173 0.000 1.036 186 V CB -0.715 31.033 31.823 -0.126 0.000 0.654 186 V HN 0.383 nan 8.190 nan 0.000 0.451 187 V N -0.414 119.343 119.914 -0.263 0.000 2.295 187 V HA -0.263 3.856 4.120 -0.001 0.000 0.246 187 V C 2.374 178.313 176.094 -0.259 0.000 1.049 187 V CA 2.120 64.256 62.300 -0.273 0.000 1.024 187 V CB -0.629 30.947 31.823 -0.412 0.000 0.648 187 V HN 0.480 nan 8.190 nan 0.000 0.447 188 L N 0.053 121.106 121.223 -0.284 0.000 2.042 188 L HA -0.147 4.192 4.340 -0.001 0.000 0.210 188 L C 2.492 179.201 176.870 -0.268 0.000 1.076 188 L CA 2.183 56.869 54.840 -0.256 0.000 0.749 188 L CB -0.547 41.353 42.059 -0.265 0.000 0.893 188 L HN 0.292 nan 8.230 nan 0.000 0.432 189 S N -1.364 114.115 115.700 -0.368 0.000 2.395 189 S HA -0.076 4.394 4.470 -0.001 0.000 0.225 189 S C 1.890 176.308 174.600 -0.303 0.000 1.027 189 S CA 1.072 59.054 58.200 -0.364 0.000 0.965 189 S CB -0.165 62.718 63.200 -0.529 0.000 0.812 189 S HN 0.331 nan 8.310 nan 0.000 0.482 190 M N 1.409 120.825 119.600 -0.308 0.000 2.159 190 M HA -0.011 4.468 4.480 -0.001 0.000 0.263 190 M C 2.041 178.213 176.300 -0.214 0.000 1.063 190 M CA 1.295 56.414 55.300 -0.302 0.000 1.110 190 M CB -1.061 31.341 32.600 -0.330 0.000 1.374 190 M HN 0.243 nan 8.290 nan 0.000 0.411 191 R N 0.035 120.435 120.500 -0.167 0.000 2.091 191 R HA -0.109 4.231 4.340 -0.001 0.000 0.238 191 R C 2.150 178.395 176.300 -0.092 0.000 1.136 191 R CA 1.327 57.363 56.100 -0.106 0.000 0.959 191 R CB -0.420 29.823 30.300 -0.096 0.000 0.856 191 R HN 0.354 nan 8.270 nan 0.000 0.437 192 I N -0.099 120.403 120.570 -0.113 0.000 2.286 192 I HA -0.215 3.955 4.170 -0.001 0.000 0.245 192 I C 2.019 178.073 176.117 -0.104 0.000 1.104 192 I CA 0.922 62.169 61.300 -0.089 0.000 1.397 192 I CB -0.083 37.867 38.000 -0.083 0.000 1.072 192 I HN 0.137 nan 8.210 nan 0.000 0.417 193 M N 0.121 119.632 119.600 -0.149 0.000 2.506 193 M HA 0.075 4.555 4.480 -0.001 0.000 0.260 193 M C 1.004 177.211 176.300 -0.155 0.000 1.104 193 M CA 0.744 55.943 55.300 -0.169 0.000 1.112 193 M CB -1.048 31.414 32.600 -0.231 0.000 1.401 193 M HN 0.351 nan 8.290 nan 0.000 0.473 194 T N -1.725 112.752 114.554 -0.130 0.000 2.804 194 T HA 0.665 5.014 4.350 -0.001 0.000 0.290 194 T C -0.556 174.134 174.700 -0.017 0.000 1.099 194 T CA -0.994 61.063 62.100 -0.071 0.000 1.011 194 T CB 2.142 70.978 68.868 -0.053 0.000 1.291 194 T HN -0.024 nan 8.240 nan 0.000 0.523 195 R N 0.475 120.989 120.500 0.025 0.000 2.221 195 R HA 0.692 5.031 4.340 -0.001 0.000 0.327 195 R C -0.888 175.455 176.300 0.072 0.000 1.033 195 R CA -0.387 55.727 56.100 0.024 0.000 0.887 195 R CB 1.069 31.367 30.300 -0.003 0.000 1.057 195 R HN 0.548 nan 8.270 nan 0.000 0.455 196 V N 2.793 122.737 119.914 0.050 0.000 2.604 196 V HA 0.916 5.035 4.120 -0.001 0.000 0.305 196 V C 0.597 176.716 176.094 0.041 0.000 1.043 196 V CA 0.049 62.392 62.300 0.071 0.000 0.888 196 V CB 1.588 33.440 31.823 0.048 0.000 0.995 196 V HN 0.966 nan 8.190 nan 0.000 0.429 197 G N 5.490 114.317 108.800 0.044 0.000 2.293 197 G HA2 0.062 4.021 3.960 -0.001 0.000 0.282 197 G HA3 0.062 4.021 3.960 -0.001 0.000 0.282 197 G C -2.605 172.302 174.900 0.012 0.000 1.299 197 G CA -0.005 45.110 45.100 0.026 0.000 1.018 197 G HN 0.438 nan 8.290 nan 0.000 0.478 198 P HA -0.226 nan 4.420 nan 0.000 0.221 198 P C 2.207 179.502 177.300 -0.008 0.000 1.160 198 P CA 3.568 66.666 63.100 -0.002 0.000 0.933 198 P CB -0.388 31.312 31.700 -0.001 0.000 0.793 199 A N -1.086 121.729 122.820 -0.008 0.000 1.978 199 A HA -0.151 4.169 4.320 -0.001 0.000 0.220 199 A C 2.418 179.991 177.584 -0.018 0.000 1.170 199 A CA 1.970 53.998 52.037 -0.015 0.000 0.636 199 A CB -1.549 17.440 19.000 -0.018 0.000 0.810 199 A HN 0.116 nan 8.150 nan 0.000 0.448 200 V N -0.087 119.819 119.914 -0.014 0.000 2.323 200 V HA -0.207 3.912 4.120 -0.001 0.000 0.244 200 V C 2.504 178.576 176.094 -0.035 0.000 1.041 200 V CA 1.669 63.956 62.300 -0.021 0.000 1.025 200 V CB -0.759 31.060 31.823 -0.007 0.000 0.656 200 V HN 0.575 nan 8.190 nan 0.000 0.451 201 L N -0.244 120.959 121.223 -0.032 0.000 2.081 201 L HA -0.299 4.041 4.340 -0.001 0.000 0.212 201 L C 2.675 179.523 176.870 -0.036 0.000 1.080 201 L CA 1.776 56.591 54.840 -0.042 0.000 0.754 201 L CB -0.630 41.411 42.059 -0.029 0.000 0.893 201 L HN 0.423 nan 8.230 nan 0.000 0.433 202 Q N -0.582 119.203 119.800 -0.025 0.000 2.364 202 Q HA -0.147 4.192 4.340 -0.001 0.000 0.209 202 Q C 1.960 177.948 176.000 -0.020 0.000 0.977 202 Q CA 0.959 56.750 55.803 -0.020 0.000 0.885 202 Q CB 0.067 28.795 28.738 -0.017 0.000 0.941 202 Q HN 0.497 nan 8.270 nan 0.000 0.464 203 R N -0.615 119.870 120.500 -0.024 0.000 2.335 203 R HA 0.132 4.472 4.340 -0.001 0.000 0.210 203 R C -0.147 176.144 176.300 -0.016 0.000 0.892 203 R CA -0.285 55.804 56.100 -0.018 0.000 1.048 203 R CB 0.377 30.666 30.300 -0.018 0.000 1.067 203 R HN 0.068 nan 8.270 nan 0.000 0.524 204 L N 2.965 124.166 121.223 -0.037 0.000 2.410 204 L HA 0.029 4.368 4.340 -0.001 0.000 0.273 204 L C 0.012 176.871 176.870 -0.018 0.000 1.144 204 L CA 0.499 55.305 54.840 -0.056 0.000 0.863 204 L CB 0.378 42.350 42.059 -0.144 0.000 1.140 204 L HN 0.177 nan 8.230 nan 0.000 0.463 205 D N 1.266 121.692 120.400 0.045 0.000 2.961 205 D HA 0.208 4.847 4.640 -0.001 0.000 0.257 205 D C 0.310 176.733 176.300 0.206 0.000 1.211 205 D CA -0.287 53.764 54.000 0.085 0.000 1.066 205 D CB 0.100 40.935 40.800 0.059 0.000 1.291 205 D HN 0.324 nan 8.370 nan 0.000 0.629 206 D N -0.646 119.851 120.400 0.162 0.000 2.219 206 D HA -0.041 4.598 4.640 -0.001 0.000 0.205 206 D C -0.138 176.235 176.300 0.122 0.000 0.970 206 D CA 0.958 55.057 54.000 0.164 0.000 0.851 206 D CB -0.273 40.564 40.800 0.062 0.000 0.943 206 D HN 0.319 nan 8.370 nan 0.000 0.488 207 D N -0.051 120.422 120.400 0.122 0.000 2.483 207 D HA 0.189 4.829 4.640 -0.001 0.000 0.220 207 D C -0.789 175.606 176.300 0.159 0.000 1.173 207 D CA -0.333 53.699 54.000 0.053 0.000 0.964 207 D CB -0.648 40.177 40.800 0.042 0.000 1.046 207 D HN 0.005 nan 8.370 nan 0.000 0.517 208 F N 0.387 120.292 119.950 -0.075 0.000 2.668 208 F HA 0.551 5.077 4.527 -0.001 0.000 0.309 208 F C -1.500 174.181 175.800 -0.199 0.000 1.117 208 F CA -1.345 56.592 58.000 -0.105 0.000 0.951 208 F CB 0.709 39.646 39.000 -0.106 0.000 1.323 208 F HN -0.201 nan 8.300 nan 0.000 0.451 209 V N 2.692 122.479 119.914 -0.211 0.000 2.461 209 V HA 0.442 4.561 4.120 -0.001 0.000 0.275 209 V C -0.084 175.828 176.094 -0.304 0.000 1.047 209 V CA -0.542 61.488 62.300 -0.450 0.000 0.955 209 V CB 0.827 32.163 31.823 -0.811 0.000 0.988 209 V HN 0.633 nan 8.190 nan 0.000 0.471 210 R N 3.260 123.416 120.500 -0.574 0.000 2.267 210 R HA 0.413 4.752 4.340 -0.001 0.000 0.319 210 R C -0.753 175.306 176.300 -0.401 0.000 1.067 210 R CA 0.042 55.635 56.100 -0.846 0.000 0.936 210 R CB 0.388 29.902 30.300 -1.311 0.000 1.006 210 R HN 0.732 nan 8.270 nan 0.000 0.452 211 C N 5.070 124.355 119.300 -0.024 0.000 2.321 211 C HA 0.405 4.864 4.460 -0.001 0.000 0.323 211 C C -0.874 174.404 174.990 0.479 0.000 1.191 211 C CA -0.986 58.183 59.018 0.252 0.000 1.455 211 C CB 0.107 28.074 27.740 0.377 0.000 2.083 211 C HN 0.611 nan 8.230 nan 0.000 0.442 212 L N 5.133 126.599 121.223 0.405 0.000 2.287 212 L HA 0.587 4.926 4.340 -0.001 0.000 0.287 212 L C -0.348 176.769 176.870 0.413 0.000 1.022 212 L CA 0.401 55.483 54.840 0.402 0.000 0.814 212 L CB 0.224 42.416 42.059 0.222 0.000 1.217 212 L HN 0.785 nan 8.230 nan 0.000 0.420 213 H N 3.513 122.774 119.070 0.317 0.000 2.679 213 H HA 0.632 5.187 4.556 -0.001 0.000 0.360 213 H C -1.779 173.728 175.328 0.298 0.000 1.105 213 H CA -0.404 55.830 56.048 0.310 0.000 1.196 213 H CB 2.041 31.916 29.762 0.187 0.000 1.636 213 H HN 0.669 nan 8.280 nan 0.000 0.531 214 S N 3.256 118.637 115.700 -0.532 0.000 2.540 214 S HA 0.189 4.658 4.470 -0.001 0.000 0.275 214 S C 1.021 175.073 174.600 -0.914 0.000 1.123 214 S CA -0.222 57.623 58.200 -0.592 0.000 0.907 214 S CB 1.177 64.265 63.200 -0.186 0.000 1.081 214 S HN 0.562 nan 8.310 nan 0.000 0.476 215 V N 2.091 121.617 119.914 -0.647 0.000 2.913 215 V HA 0.302 4.421 4.120 -0.001 0.000 0.260 215 V C 1.478 177.170 176.094 -0.671 0.000 1.098 215 V CA 1.184 63.171 62.300 -0.522 0.000 1.121 215 V CB -1.531 30.080 31.823 -0.352 0.000 0.714 215 V HN 1.939 nan 8.190 nan 0.000 0.487 216 G N 0.819 109.153 108.800 -0.777 0.000 2.225 216 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.264 216 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.264 216 G C 0.104 174.821 174.900 -0.305 0.000 1.060 216 G CA 0.464 45.079 45.100 -0.809 0.000 0.833 216 G HN 0.801 nan 8.290 nan 0.000 0.498 217 R N 0.637 121.011 120.500 -0.210 0.000 2.585 217 R HA 0.424 4.763 4.340 -0.001 0.000 0.278 217 R C -2.289 173.968 176.300 -0.071 0.000 1.663 217 R CA -1.759 54.272 56.100 -0.115 0.000 1.592 217 R CB 1.335 31.559 30.300 -0.126 0.000 1.200 217 R HN 0.252 nan 8.270 nan 0.000 0.611 218 P HA 0.053 nan 4.420 nan 0.000 0.272 218 P C -0.484 176.805 177.300 -0.018 0.000 1.223 218 P CA -0.064 63.023 63.100 -0.021 0.000 0.784 218 P CB 1.087 32.786 31.700 -0.002 0.000 0.923 219 L N 3.168 124.382 121.223 -0.015 0.000 2.379 219 L HA 0.435 4.774 4.340 -0.001 0.000 0.269 219 L C -1.636 175.231 176.870 -0.006 0.000 1.084 219 L CA -2.097 52.737 54.840 -0.011 0.000 0.802 219 L CB 0.333 42.386 42.059 -0.011 0.000 1.175 219 L HN 0.300 nan 8.230 nan 0.000 0.448 220 P HA 0.261 nan 4.420 nan 0.000 0.277 220 P C -0.761 176.537 177.300 -0.003 0.000 1.240 220 P CA -0.493 62.605 63.100 -0.003 0.000 0.798 220 P CB 0.750 32.449 31.700 -0.000 0.000 0.979 221 L N 1.462 122.683 121.223 -0.002 0.000 2.439 221 L HA 0.172 4.511 4.340 -0.001 0.000 0.269 221 L C 1.658 178.530 176.870 0.003 0.000 1.179 221 L CA 0.055 54.895 54.840 -0.001 0.000 0.828 221 L CB 0.127 42.186 42.059 0.001 0.000 1.106 221 L HN 0.526 nan 8.230 nan 0.000 0.467 222 T N -2.434 112.123 114.554 0.005 0.000 3.054 222 T HA 0.207 4.556 4.350 -0.001 0.000 0.255 222 T C 0.099 174.805 174.700 0.010 0.000 1.035 222 T CA -0.323 61.782 62.100 0.007 0.000 0.941 222 T CB -0.084 68.788 68.868 0.007 0.000 1.026 222 T HN 0.774 nan 8.240 nan 0.000 0.533 223 E N 0.154 120.361 120.200 0.011 0.000 2.401 223 E HA 0.535 4.884 4.350 -0.001 0.000 0.280 223 E C -3.330 173.281 176.600 0.018 0.000 1.039 223 E CA -2.232 54.177 56.400 0.015 0.000 0.814 223 E CB 0.103 29.813 29.700 0.017 0.000 1.275 223 E HN -0.065 nan 8.360 nan 0.000 0.448 224 P HA 0.130 nan 4.420 nan 0.000 0.268 224 P C -0.497 176.824 177.300 0.036 0.000 1.205 224 P CA -0.121 62.996 63.100 0.027 0.000 0.771 224 P CB 0.408 32.124 31.700 0.027 0.000 0.858 225 L N 1.491 122.740 121.223 0.044 0.000 2.464 225 L HA 0.218 4.557 4.340 -0.001 0.000 0.264 225 L C 0.167 177.084 176.870 0.078 0.000 1.199 225 L CA -0.697 54.182 54.840 0.065 0.000 0.818 225 L CB 0.329 42.432 42.059 0.073 0.000 1.102 225 L HN 0.095 nan 8.230 nan 0.000 0.473 226 V N 0.952 120.928 119.914 0.103 0.000 2.407 226 V HA 0.119 4.238 4.120 -0.001 0.000 0.278 226 V C 0.601 176.779 176.094 0.140 0.000 1.037 226 V CA -0.250 62.106 62.300 0.094 0.000 0.900 226 V CB 1.144 33.011 31.823 0.072 0.000 0.983 226 V HN 0.959 nan 8.190 nan 0.000 0.459 227 S N 3.534 119.305 115.700 0.117 0.000 3.533 227 S HA -0.226 4.243 4.470 -0.001 0.000 0.347 227 S C 0.998 175.733 174.600 0.226 0.000 1.101 227 S CA 0.846 59.141 58.200 0.159 0.000 1.009 227 S CB -1.058 62.220 63.200 0.129 0.000 0.916 227 S HN 1.311 nan 8.310 nan 0.000 0.496 228 S N -1.641 114.168 115.700 0.182 0.000 3.521 228 S HA -0.210 4.259 4.470 -0.001 0.000 0.328 228 S C -0.310 174.414 174.600 0.206 0.000 1.165 228 S CA 1.382 59.679 58.200 0.162 0.000 0.941 228 S CB -1.266 62.017 63.200 0.138 0.000 0.951 228 S HN 0.814 nan 8.310 nan 0.000 0.539 229 W N 3.493 124.803 121.300 0.017 0.000 2.299 229 W HA 0.372 5.031 4.660 -0.001 0.000 0.319 229 W C -3.044 173.469 176.519 -0.010 0.000 1.008 229 W CA -2.190 55.152 57.345 -0.004 0.000 1.384 229 W CB 1.189 30.648 29.460 -0.002 0.000 1.220 229 W HN 0.021 nan 8.180 nan 0.000 0.402 230 P HA 0.195 nan 4.420 nan 0.000 0.276 230 P C -0.340 176.773 177.300 -0.312 0.000 1.230 230 P CA 0.346 63.306 63.100 -0.234 0.000 0.776 230 P CB 1.103 32.665 31.700 -0.231 0.000 0.888 231 C N 0.007 119.229 119.300 -0.130 0.000 3.295 231 C HA 0.646 5.105 4.460 -0.001 0.000 0.341 231 C C -1.114 173.823 174.990 -0.088 0.000 1.418 231 C CA -0.665 58.293 59.018 -0.099 0.000 1.240 231 C CB 1.310 29.114 27.740 0.106 0.000 1.562 231 C HN 0.474 nan 8.230 nan 0.000 0.457 232 D N 0.500 120.834 120.400 -0.109 0.000 2.552 232 D HA 0.444 5.083 4.640 -0.001 0.000 0.285 232 D C -1.896 174.417 176.300 0.022 0.000 1.206 232 D CA -1.412 52.557 54.000 -0.051 0.000 0.826 232 D CB 0.974 41.717 40.800 -0.095 0.000 1.179 232 D HN 0.291 nan 8.370 nan 0.000 0.508 233 P HA -0.136 nan 4.420 nan 0.000 0.216 233 P C 1.389 178.736 177.300 0.078 0.000 1.150 233 P CA 1.033 64.176 63.100 0.072 0.000 0.837 233 P CB 0.187 31.931 31.700 0.074 0.000 0.786 234 S N -1.077 114.667 115.700 0.073 0.000 2.474 234 S HA -0.038 4.431 4.470 -0.001 0.000 0.235 234 S C 1.536 176.188 174.600 0.087 0.000 0.997 234 S CA 0.623 58.866 58.200 0.071 0.000 0.949 234 S CB -0.636 62.598 63.200 0.057 0.000 0.766 234 S HN 0.157 nan 8.310 nan 0.000 0.517 235 R N 0.612 121.187 120.500 0.126 0.000 2.565 235 R HA 0.346 4.685 4.340 -0.001 0.000 0.347 235 R C -0.671 175.778 176.300 0.248 0.000 1.010 235 R CA -0.186 56.015 56.100 0.167 0.000 1.126 235 R CB 0.729 31.152 30.300 0.205 0.000 1.331 235 R HN 0.231 nan 8.270 nan 0.000 0.552 236 V N 2.366 122.396 119.914 0.193 0.000 2.720 236 V HA -0.055 4.064 4.120 -0.001 0.000 0.307 236 V C -0.071 176.153 176.094 0.218 0.000 1.071 236 V CA 0.603 63.026 62.300 0.204 0.000 1.199 236 V CB 0.662 32.574 31.823 0.148 0.000 0.900 236 V HN 0.130 nan 8.190 nan 0.000 0.494 237 L N 6.238 127.623 121.223 0.270 0.000 2.505 237 L HA 0.613 4.952 4.340 -0.001 0.000 0.266 237 L C -0.843 176.196 176.870 0.282 0.000 0.954 237 L CA 0.007 55.001 54.840 0.257 0.000 0.852 237 L CB 2.204 44.421 42.059 0.262 0.000 1.282 237 L HN 0.358 nan 8.230 nan 0.000 0.403 238 V N 4.768 124.822 119.914 0.233 0.000 2.340 238 V HA 0.869 4.988 4.120 -0.001 0.000 0.277 238 V C 0.131 176.288 176.094 0.105 0.000 1.017 238 V CA -0.145 62.271 62.300 0.193 0.000 0.820 238 V CB 1.000 32.963 31.823 0.232 0.000 1.028 238 V HN 0.918 nan 8.190 nan 0.000 0.436 239 A N 3.587 126.390 122.820 -0.028 0.000 2.337 239 A HA 0.901 5.220 4.320 -0.001 0.000 0.329 239 A C -0.960 176.370 177.584 -0.423 0.000 1.146 239 A CA -0.535 51.430 52.037 -0.119 0.000 0.800 239 A CB 0.829 19.778 19.000 -0.084 0.000 1.220 239 A HN 0.906 nan 8.150 nan 0.000 0.472 240 H N 0.860 119.848 119.070 -0.138 0.000 2.727 240 H HA 0.540 5.096 4.556 -0.001 0.000 0.330 240 H C -1.210 174.005 175.328 -0.189 0.000 0.986 240 H CA -0.377 55.608 56.048 -0.104 0.000 1.251 240 H CB 1.090 30.850 29.762 -0.003 0.000 1.493 240 H HN 0.420 nan 8.280 nan 0.000 0.515 241 I N 5.075 125.562 120.570 -0.139 0.000 2.697 241 I HA 0.200 4.369 4.170 -0.001 0.000 0.279 241 I C -1.794 174.260 176.117 -0.105 0.000 1.171 241 I CA -1.604 59.591 61.300 -0.175 0.000 1.135 241 I CB 1.277 39.111 38.000 -0.278 0.000 1.445 241 I HN 0.449 nan 8.210 nan 0.000 0.541 242 P HA -0.192 nan 4.420 nan 0.000 0.216 242 P C 1.514 178.764 177.300 -0.083 0.000 1.150 242 P CA 1.522 64.585 63.100 -0.062 0.000 0.837 242 P CB 0.126 31.809 31.700 -0.029 0.000 0.786 243 S N -0.327 115.334 115.700 -0.065 0.000 2.469 243 S HA -0.122 4.347 4.470 -0.001 0.000 0.238 243 S C 1.560 176.112 174.600 -0.081 0.000 0.998 243 S CA 0.910 59.073 58.200 -0.062 0.000 0.957 243 S CB -0.948 62.231 63.200 -0.035 0.000 0.764 243 S HN 0.287 nan 8.310 nan 0.000 0.514 244 E N 0.593 120.733 120.200 -0.100 0.000 2.501 244 E HA 0.238 4.587 4.350 -0.001 0.000 0.201 244 E C -0.434 176.051 176.600 -0.192 0.000 1.016 244 E CA -0.422 55.904 56.400 -0.123 0.000 0.920 244 E CB 0.139 29.783 29.700 -0.093 0.000 1.023 244 E HN 0.423 nan 8.360 nan 0.000 0.474 245 R N 1.167 121.547 120.500 -0.200 0.000 3.251 245 R HA -0.210 4.129 4.340 -0.001 0.000 0.249 245 R C -0.051 176.056 176.300 -0.323 0.000 0.949 245 R CA 0.557 56.493 56.100 -0.273 0.000 0.645 245 R CB -1.684 28.416 30.300 -0.332 0.000 1.065 245 R HN 0.116 nan 8.270 nan 0.000 0.452 246 R N 0.774 121.129 120.500 -0.243 0.000 2.673 246 R HA 0.601 4.940 4.340 -0.001 0.000 0.281 246 R C -1.008 175.192 176.300 -0.167 0.000 0.991 246 R CA -0.775 55.190 56.100 -0.225 0.000 0.896 246 R CB 1.444 31.639 30.300 -0.175 0.000 1.201 246 R HN 0.162 nan 8.270 nan 0.000 0.457 247 I N 3.684 124.178 120.570 -0.127 0.000 2.498 247 I HA 0.401 4.570 4.170 -0.001 0.000 0.290 247 I C -0.922 175.198 176.117 0.005 0.000 1.032 247 I CA -1.031 60.205 61.300 -0.107 0.000 1.073 247 I CB 2.331 40.298 38.000 -0.054 0.000 1.251 247 I HN 0.226 nan 8.210 nan 0.000 0.426 248 V N 4.361 124.292 119.914 0.029 0.000 2.483 248 V HA 0.498 4.617 4.120 -0.001 0.000 0.297 248 V C -0.453 175.825 176.094 0.307 0.000 1.027 248 V CA -0.438 61.980 62.300 0.198 0.000 0.855 248 V CB 1.826 33.815 31.823 0.277 0.000 0.995 248 V HN 0.753 nan 8.190 nan 0.000 0.424 249 S N 5.165 121.136 115.700 0.452 0.000 2.594 249 S HA 0.793 5.262 4.470 -0.001 0.000 0.296 249 S C -1.481 173.441 174.600 0.536 0.000 1.124 249 S CA -0.391 58.083 58.200 0.456 0.000 1.011 249 S CB 1.052 64.486 63.200 0.389 0.000 1.016 249 S HN 0.589 nan 8.310 nan 0.000 0.485 250 F N 3.753 123.827 119.950 0.207 0.000 2.540 250 F HA 0.658 5.184 4.527 -0.001 0.000 0.317 250 F C 0.881 176.652 175.800 -0.049 0.000 1.104 250 F CA 0.588 58.535 58.000 -0.088 0.000 0.913 250 F CB 1.720 40.516 39.000 -0.340 0.000 1.170 250 F HN 0.880 nan 8.300 nan 0.000 0.450 251 G N 2.714 111.013 108.800 -0.835 0.000 2.195 251 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.246 251 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.246 251 G C -0.112 174.685 174.900 -0.172 0.000 0.984 251 G CA 0.160 44.909 45.100 -0.585 0.000 0.633 251 G HN 1.023 nan 8.290 nan 0.000 0.525 252 S N -0.518 115.181 115.700 -0.001 0.000 2.513 252 S HA 0.654 5.123 4.470 -0.001 0.000 0.299 252 S C 1.111 175.872 174.600 0.269 0.000 1.087 252 S CA 0.722 59.030 58.200 0.180 0.000 1.012 252 S CB 1.592 64.946 63.200 0.257 0.000 1.044 252 S HN 1.311 nan 8.310 nan 0.000 0.485 253 G N 2.116 111.084 108.800 0.280 0.000 3.088 253 G HA2 0.138 4.097 3.960 -0.001 0.000 0.217 253 G HA3 0.138 4.097 3.960 -0.001 0.000 0.217 253 G C -0.106 175.082 174.900 0.481 0.000 1.159 253 G CA -0.095 45.119 45.100 0.191 0.000 0.760 253 G HN 0.717 nan 8.290 nan 0.000 0.550 254 Y N 1.775 122.331 120.300 0.427 0.000 2.316 254 Y HA 0.437 4.987 4.550 -0.001 0.000 0.331 254 Y C 1.504 177.544 175.900 0.233 0.000 1.083 254 Y CA -0.228 58.089 58.100 0.362 0.000 1.206 254 Y CB 1.034 39.629 38.460 0.224 0.000 1.195 254 Y HN 0.180 nan 8.280 nan 0.000 0.497 255 G N 4.377 112.683 108.800 -0.823 0.000 3.719 255 G HA2 -0.491 3.469 3.960 -0.001 0.000 0.266 255 G HA3 -0.491 3.469 3.960 -0.001 0.000 0.266 255 G C 1.461 176.045 174.900 -0.526 0.000 0.902 255 G CA 1.390 45.880 45.100 -1.017 0.000 0.775 255 G HN 1.310 nan 8.290 nan 0.000 1.342 256 G N 0.107 108.811 108.800 -0.160 0.000 2.462 256 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.220 256 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.220 256 G C 1.602 176.606 174.900 0.173 0.000 1.121 256 G CA 1.460 46.639 45.100 0.131 0.000 0.758 256 G HN 0.564 nan 8.290 nan 0.000 0.559 257 N N 0.418 119.262 118.700 0.241 0.000 2.376 257 N HA -0.047 4.693 4.740 -0.001 0.000 0.177 257 N C 2.320 177.897 175.510 0.111 0.000 1.024 257 N CA 1.415 54.602 53.050 0.227 0.000 0.893 257 N CB 0.153 38.821 38.487 0.303 0.000 0.980 257 N HN 0.506 nan 8.380 nan 0.000 0.439 258 S N -0.526 115.150 115.700 -0.040 0.000 2.554 258 S HA 0.238 4.707 4.470 -0.001 0.000 0.227 258 S C 0.626 175.004 174.600 -0.369 0.000 1.050 258 S CA -0.398 57.611 58.200 -0.318 0.000 0.927 258 S CB 0.034 63.058 63.200 -0.294 0.000 0.859 258 S HN 0.016 nan 8.310 nan 0.000 0.494 259 L N 3.182 124.224 121.223 -0.301 0.000 2.328 259 L HA 0.416 4.756 4.340 -0.001 0.000 0.280 259 L C 0.802 177.541 176.870 -0.218 0.000 1.111 259 L CA -0.335 54.301 54.840 -0.340 0.000 0.909 259 L CB 0.592 42.359 42.059 -0.488 0.000 1.277 259 L HN 0.229 nan 8.230 nan 0.000 0.433 260 L N 1.889 123.023 121.223 -0.149 0.000 2.275 260 L HA -0.059 4.280 4.340 -0.001 0.000 0.215 260 L C 2.429 179.391 176.870 0.154 0.000 1.119 260 L CA 1.015 55.879 54.840 0.040 0.000 0.790 260 L CB -0.419 41.718 42.059 0.129 0.000 0.919 260 L HN 0.787 nan 8.230 nan 0.000 0.443 261 G N 0.487 109.274 108.800 -0.021 0.000 2.432 261 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.219 261 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.219 261 G C 1.671 176.592 174.900 0.036 0.000 1.135 261 G CA 0.813 45.956 45.100 0.071 0.000 0.767 261 G HN 0.239 nan 8.290 nan 0.000 0.550 262 K N 0.014 120.374 120.400 -0.067 0.000 2.002 262 K HA -0.037 4.283 4.320 -0.001 0.000 0.209 262 K C 2.133 178.706 176.600 -0.046 0.000 1.048 262 K CA 1.370 57.597 56.287 -0.101 0.000 0.930 262 K CB 0.075 32.453 32.500 -0.204 0.000 0.714 262 K HN 0.115 nan 8.250 nan 0.000 0.438 263 K N -1.477 118.935 120.400 0.020 0.000 2.485 263 K HA 0.161 4.480 4.320 -0.001 0.000 0.200 263 K C 2.233 178.953 176.600 0.199 0.000 1.344 263 K CA 0.644 56.932 56.287 0.003 0.000 0.948 263 K CB -0.507 31.992 32.500 -0.001 0.000 1.454 263 K HN 0.124 nan 8.250 nan 0.000 0.502 264 C N 1.623 121.107 119.300 0.306 0.000 2.413 264 C HA -0.095 4.364 4.460 -0.001 0.000 0.277 264 C C 2.511 177.791 174.990 0.483 0.000 1.228 264 C CA 0.701 60.009 59.018 0.483 0.000 1.731 264 C CB -0.856 27.107 27.740 0.373 0.000 2.042 264 C HN 0.349 nan 8.230 nan 0.000 0.468 265 F N 1.935 122.051 119.950 0.276 0.000 2.147 265 F HA 0.206 4.732 4.527 -0.001 0.000 0.291 265 F C 2.380 178.415 175.800 0.391 0.000 1.093 265 F CA 1.228 59.423 58.000 0.325 0.000 1.263 265 F CB -1.162 38.065 39.000 0.378 0.000 1.036 265 F HN 0.134 nan 8.300 nan 0.000 0.481 266 A N -0.041 123.119 122.820 0.567 0.000 2.067 266 A HA -0.000 4.319 4.320 -0.001 0.000 0.219 266 A C 2.168 180.111 177.584 0.598 0.000 1.158 266 A CA 1.649 54.034 52.037 0.581 0.000 0.661 266 A CB -0.586 18.526 19.000 0.186 0.000 0.801 266 A HN 0.479 nan 8.150 nan 0.000 0.452 267 L N -2.730 118.703 121.223 0.350 0.000 2.588 267 L HA 0.146 4.485 4.340 -0.001 0.000 0.194 267 L C 2.663 179.668 176.870 0.226 0.000 1.070 267 L CA 0.109 55.096 54.840 0.245 0.000 0.852 267 L CB -0.379 41.701 42.059 0.036 0.000 1.199 267 L HN 0.170 nan 8.230 nan 0.000 0.486 268 R N 0.427 121.050 120.500 0.206 0.000 2.055 268 R HA -0.017 4.323 4.340 -0.001 0.000 0.228 268 R C 2.188 178.588 176.300 0.167 0.000 1.143 268 R CA 1.094 57.268 56.100 0.123 0.000 0.945 268 R CB -0.186 30.036 30.300 -0.129 0.000 0.841 268 R HN 0.164 nan 8.270 nan 0.000 0.429 269 I N 1.167 121.872 120.570 0.226 0.000 2.226 269 I HA -0.197 3.972 4.170 -0.001 0.000 0.245 269 I C 2.563 178.749 176.117 0.116 0.000 1.100 269 I CA 1.354 62.741 61.300 0.144 0.000 1.374 269 I CB -1.302 36.734 38.000 0.060 0.000 1.057 269 I HN 0.177 nan 8.210 nan 0.000 0.413 270 A N 1.107 124.065 122.820 0.230 0.000 1.933 270 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 270 A C 2.535 179.970 177.584 -0.249 0.000 1.175 270 A CA 2.122 54.176 52.037 0.029 0.000 0.628 270 A CB -0.752 18.310 19.000 0.102 0.000 0.814 270 A HN 0.569 nan 8.150 nan 0.000 0.444 271 S N -0.070 115.622 115.700 -0.014 0.000 2.382 271 S HA -0.220 4.249 4.470 -0.001 0.000 0.228 271 S C 1.993 176.569 174.600 -0.040 0.000 1.027 271 S CA 1.471 59.708 58.200 0.062 0.000 0.991 271 S CB -0.371 63.041 63.200 0.354 0.000 0.823 271 S HN 0.503 nan 8.310 nan 0.000 0.469 272 R N 1.432 121.908 120.500 -0.041 0.000 2.075 272 R HA 0.205 4.544 4.340 -0.001 0.000 0.232 272 R C 2.353 178.405 176.300 -0.413 0.000 1.126 272 R CA 1.725 57.639 56.100 -0.309 0.000 0.963 272 R CB -0.858 29.371 30.300 -0.118 0.000 0.858 272 R HN 0.540 nan 8.270 nan 0.000 0.435 273 M N -0.335 119.071 119.600 -0.324 0.000 2.080 273 M HA -0.147 4.333 4.480 -0.001 0.000 0.260 273 M C 2.279 178.218 176.300 -0.601 0.000 1.068 273 M CA 2.099 57.216 55.300 -0.305 0.000 1.109 273 M CB -0.453 32.086 32.600 -0.102 0.000 1.342 273 M HN 0.316 nan 8.290 nan 0.000 0.405 274 A N -0.389 121.740 122.820 -1.152 0.000 1.908 274 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 274 A C 2.126 179.146 177.584 -0.939 0.000 1.181 274 A CA 1.727 52.742 52.037 -1.702 0.000 0.627 274 A CB -0.852 17.181 19.000 -1.611 0.000 0.818 274 A HN 0.568 nan 8.150 nan 0.000 0.445 275 Q N -0.884 118.361 119.800 -0.925 0.000 2.119 275 Q HA -0.191 4.148 4.340 -0.001 0.000 0.201 275 Q C 1.943 177.570 176.000 -0.621 0.000 0.972 275 Q CA 1.522 56.624 55.803 -1.168 0.000 0.847 275 Q CB -0.147 27.893 28.738 -1.164 0.000 0.903 275 Q HN 0.706 nan 8.270 nan 0.000 0.433 276 Q N -0.308 119.213 119.800 -0.464 0.000 2.245 276 Q HA -0.066 4.273 4.340 -0.001 0.000 0.201 276 Q C 1.139 177.063 176.000 -0.127 0.000 0.955 276 Q CA 0.908 56.559 55.803 -0.252 0.000 0.870 276 Q CB 0.271 28.881 28.738 -0.213 0.000 0.945 276 Q HN 0.528 nan 8.270 nan 0.000 0.461 277 Q N -0.986 118.747 119.800 -0.111 0.000 2.217 277 Q HA 0.260 4.599 4.340 -0.001 0.000 0.217 277 Q C 0.244 176.371 176.000 0.211 0.000 0.844 277 Q CA 0.279 56.139 55.803 0.096 0.000 0.957 277 Q CB 1.222 30.135 28.738 0.291 0.000 1.127 277 Q HN 0.409 nan 8.270 nan 0.000 0.503 278 G N 1.455 110.328 108.800 0.122 0.000 2.212 278 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.255 278 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.255 278 G C -0.416 174.675 174.900 0.319 0.000 1.062 278 G CA 0.374 45.605 45.100 0.218 0.000 0.815 278 G HN 0.347 nan 8.290 nan 0.000 0.497 279 W N -1.620 119.721 121.300 0.068 0.000 3.429 279 W HA 0.828 5.487 4.660 -0.001 0.000 0.355 279 W C -0.987 175.569 176.519 0.062 0.000 1.131 279 W CA -1.664 55.684 57.345 0.004 0.000 1.031 279 W CB 0.804 30.233 29.460 -0.052 0.000 1.534 279 W HN 0.189 nan 8.180 nan 0.000 0.605 280 L N 1.429 122.773 121.223 0.203 0.000 2.436 280 L HA 0.705 5.045 4.340 -0.001 0.000 0.268 280 L C -0.483 176.520 176.870 0.223 0.000 0.974 280 L CA -0.951 53.929 54.840 0.066 0.000 0.826 280 L CB 1.837 43.864 42.059 -0.053 0.000 1.291 280 L HN 0.566 nan 8.230 nan 0.000 0.406 281 A N 2.711 125.610 122.820 0.131 0.000 2.310 281 A HA 0.820 5.139 4.320 -0.001 0.000 0.304 281 A C -0.810 177.055 177.584 0.468 0.000 1.231 281 A CA -0.499 51.713 52.037 0.292 0.000 0.799 281 A CB 0.885 19.855 19.000 -0.049 0.000 1.162 281 A HN 0.593 nan 8.150 nan 0.000 0.486 282 E N 0.692 121.230 120.200 0.563 0.000 2.369 282 E HA 0.213 4.563 4.350 -0.001 0.000 0.270 282 E C -1.101 175.792 176.600 0.490 0.000 0.909 282 E CA -0.585 56.153 56.400 0.564 0.000 0.775 282 E CB 1.605 31.694 29.700 0.649 0.000 1.270 282 E HN 0.783 nan 8.360 nan 0.000 0.445 283 H N 2.314 121.576 119.070 0.320 0.000 2.745 283 H HA 0.352 4.907 4.556 -0.001 0.000 0.235 283 H C -0.744 174.737 175.328 0.254 0.000 1.815 283 H CA -0.064 56.111 56.048 0.211 0.000 1.321 283 H CB -0.078 29.786 29.762 0.170 0.000 1.716 283 H HN 0.213 nan 8.280 nan 0.000 0.546 284 M N 4.088 123.854 119.600 0.277 0.000 2.386 284 M HA 0.171 4.650 4.480 -0.001 0.000 0.293 284 M C -0.818 175.603 176.300 0.201 0.000 1.120 284 M CA -1.291 54.140 55.300 0.218 0.000 0.909 284 M CB 2.683 35.451 32.600 0.280 0.000 1.661 284 M HN 0.302 nan 8.290 nan 0.000 0.452 285 L N 1.321 122.655 121.223 0.185 0.000 2.472 285 L HA 0.687 5.026 4.340 -0.001 0.000 0.260 285 L C -0.958 176.035 176.870 0.205 0.000 1.209 285 L CA 0.158 55.110 54.840 0.186 0.000 0.817 285 L CB 0.176 42.333 42.059 0.164 0.000 1.106 285 L HN 0.574 nan 8.230 nan 0.000 0.479 286 I N 2.432 123.128 120.570 0.210 0.000 2.533 286 I HA 0.526 4.695 4.170 -0.001 0.000 0.290 286 I C -1.037 175.235 176.117 0.258 0.000 1.056 286 I CA -0.728 60.713 61.300 0.235 0.000 1.057 286 I CB 1.880 40.014 38.000 0.225 0.000 1.240 286 I HN 0.667 nan 8.210 nan 0.000 0.423 287 L N 3.346 124.737 121.223 0.280 0.000 2.393 287 L HA 1.025 5.364 4.340 -0.001 0.000 0.260 287 L C -0.257 176.779 176.870 0.277 0.000 1.002 287 L CA -0.578 54.419 54.840 0.263 0.000 0.818 287 L CB 1.447 43.612 42.059 0.177 0.000 1.369 287 L HN 0.516 nan 8.230 nan 0.000 0.412 288 G N 0.677 109.584 108.800 0.178 0.000 2.356 288 G HA2 0.641 4.601 3.960 -0.001 0.000 0.322 288 G HA3 0.641 4.601 3.960 -0.001 0.000 0.322 288 G C -1.215 173.698 174.900 0.023 0.000 1.125 288 G CA -0.689 44.313 45.100 -0.164 0.000 0.885 288 G HN 0.593 nan 8.290 nan 0.000 0.467 289 V N 1.803 121.742 119.914 0.042 0.000 2.444 289 V HA 0.507 4.626 4.120 -0.001 0.000 0.294 289 V C -0.034 176.195 176.094 0.225 0.000 1.022 289 V CA -0.652 61.771 62.300 0.205 0.000 0.850 289 V CB 1.647 33.676 31.823 0.344 0.000 0.992 289 V HN 0.772 nan 8.190 nan 0.000 0.426 290 T N 3.082 117.712 114.554 0.127 0.000 2.779 290 T HA 0.368 4.717 4.350 -0.001 0.000 0.280 290 T C 0.137 174.603 174.700 -0.389 0.000 0.987 290 T CA -0.246 61.837 62.100 -0.029 0.000 0.966 290 T CB 1.578 70.448 68.868 0.002 0.000 0.933 290 T HN 0.677 nan 8.240 nan 0.000 0.442 291 S N 2.958 118.184 115.700 -0.790 0.000 2.603 291 S HA 0.229 4.698 4.470 -0.001 0.000 0.268 291 S C -1.370 172.651 174.600 -0.965 0.000 1.317 291 S CA -1.581 55.678 58.200 -1.569 0.000 1.012 291 S CB 0.507 62.946 63.200 -1.269 0.000 0.926 291 S HN 0.357 nan 8.310 nan 0.000 0.539 292 P HA -0.088 nan 4.420 nan 0.000 0.218 292 P C 1.065 178.167 177.300 -0.330 0.000 1.146 292 P CA 1.214 63.990 63.100 -0.541 0.000 0.813 292 P CB -0.090 31.338 31.700 -0.454 0.000 0.778 293 S N -2.744 112.761 115.700 -0.325 0.000 2.593 293 S HA 0.337 4.807 4.470 -0.001 0.000 0.217 293 S C 1.565 176.093 174.600 -0.121 0.000 0.966 293 S CA 0.387 58.484 58.200 -0.171 0.000 0.914 293 S CB -0.808 62.319 63.200 -0.121 0.000 0.776 293 S HN 0.286 nan 8.310 nan 0.000 0.523 294 G N 0.584 109.292 108.800 -0.153 0.000 2.176 294 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.232 294 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.232 294 G C -0.193 174.695 174.900 -0.020 0.000 0.986 294 G CA 0.051 45.103 45.100 -0.080 0.000 0.643 294 G HN 0.677 nan 8.290 nan 0.000 0.522 295 E N 0.867 121.081 120.200 0.023 0.000 2.301 295 E HA 0.641 4.990 4.350 -0.001 0.000 0.275 295 E C 0.106 176.850 176.600 0.240 0.000 1.030 295 E CA -0.524 55.966 56.400 0.150 0.000 0.852 295 E CB 0.632 30.477 29.700 0.241 0.000 1.060 295 E HN 0.308 nan 8.360 nan 0.000 0.401 296 K N 3.639 124.142 120.400 0.172 0.000 2.292 296 K HA 0.450 4.769 4.320 -0.001 0.000 0.257 296 K C -0.956 175.701 176.600 0.095 0.000 0.940 296 K CA -0.893 55.477 56.287 0.139 0.000 0.811 296 K CB 0.778 33.276 32.500 -0.003 0.000 1.120 296 K HN 0.414 nan 8.250 nan 0.000 0.428 297 R N 2.952 123.521 120.500 0.115 0.000 2.686 297 R HA 0.319 4.658 4.340 -0.001 0.000 0.286 297 R C -1.208 175.078 176.300 -0.024 0.000 0.969 297 R CA -0.746 55.370 56.100 0.027 0.000 0.898 297 R CB 1.136 31.362 30.300 -0.123 0.000 1.183 297 R HN 0.559 nan 8.270 nan 0.000 0.456 298 Y N 1.579 121.954 120.300 0.124 0.000 2.387 298 Y HA 0.561 5.110 4.550 -0.001 0.000 0.330 298 Y C 0.674 176.651 175.900 0.128 0.000 1.133 298 Y CA -0.541 57.642 58.100 0.138 0.000 1.152 298 Y CB 1.772 40.306 38.460 0.123 0.000 1.215 298 Y HN 0.237 nan 8.280 nan 0.000 0.466 299 M N 2.153 121.929 119.600 0.294 0.000 2.501 299 M HA 0.735 5.215 4.480 -0.001 0.000 0.293 299 M C -1.122 175.307 176.300 0.216 0.000 1.192 299 M CA -0.941 54.486 55.300 0.211 0.000 0.886 299 M CB 2.525 35.215 32.600 0.150 0.000 1.710 299 M HN 0.674 nan 8.290 nan 0.000 0.457 300 A N 1.759 124.690 122.820 0.185 0.000 2.337 300 A HA 1.013 5.332 4.320 -0.001 0.000 0.331 300 A C -1.105 176.555 177.584 0.127 0.000 1.137 300 A CA -0.611 51.537 52.037 0.185 0.000 0.807 300 A CB 1.424 20.553 19.000 0.215 0.000 1.250 300 A HN 0.957 nan 8.150 nan 0.000 0.468 301 A N 0.454 123.367 122.820 0.155 0.000 2.427 301 A HA 0.754 5.073 4.320 -0.001 0.000 0.298 301 A C -0.355 177.309 177.584 0.134 0.000 1.036 301 A CA 0.149 52.249 52.037 0.106 0.000 0.701 301 A CB 1.167 20.349 19.000 0.303 0.000 1.250 301 A HN 2.267 nan 8.150 nan 0.000 0.412 302 A N 1.965 124.764 122.820 -0.034 0.000 2.249 302 A HA 0.768 5.087 4.320 -0.001 0.000 0.314 302 A C -1.095 176.382 177.584 -0.178 0.000 1.290 302 A CA -0.181 51.869 52.037 0.020 0.000 0.893 302 A CB -0.192 18.908 19.000 0.166 0.000 1.165 302 A HN 0.683 nan 8.150 nan 0.000 0.530 303 F N 3.923 123.824 119.950 -0.082 0.000 2.495 303 F HA 0.529 5.056 4.527 -0.001 0.000 0.327 303 F C -1.843 173.921 175.800 -0.060 0.000 1.103 303 F CA -1.909 56.046 58.000 -0.075 0.000 0.949 303 F CB 2.388 41.357 39.000 -0.050 0.000 1.142 303 F HN 0.414 nan 8.300 nan 0.000 0.457 304 P HA 0.111 nan 4.420 nan 0.000 0.277 304 P C -0.538 176.836 177.300 0.123 0.000 1.276 304 P CA -0.514 62.655 63.100 0.114 0.000 0.788 304 P CB 0.606 32.331 31.700 0.043 0.000 1.114 305 S N -0.920 114.842 115.700 0.104 0.000 2.568 305 S HA 0.340 4.809 4.470 -0.001 0.000 0.282 305 S C 0.753 175.358 174.600 0.008 0.000 1.338 305 S CA 0.195 58.439 58.200 0.072 0.000 1.045 305 S CB -0.857 62.384 63.200 0.068 0.000 0.873 305 S HN 0.839 nan 8.310 nan 0.000 0.516 306 A N 1.496 124.308 122.820 -0.014 0.000 2.925 306 A HA -0.160 4.159 4.320 -0.001 0.000 0.265 306 A C 0.935 178.440 177.584 -0.131 0.000 1.419 306 A CA 0.490 52.485 52.037 -0.070 0.000 0.807 306 A CB -2.605 16.339 19.000 -0.094 0.000 1.043 306 A HN 1.191 nan 8.150 nan 0.000 0.600 307 C N -0.763 118.523 119.300 -0.022 0.000 3.104 307 C HA 0.544 5.003 4.460 -0.001 0.000 0.284 307 C C 1.938 177.037 174.990 0.182 0.000 1.326 307 C CA 0.426 59.505 59.018 0.102 0.000 1.725 307 C CB -0.802 27.147 27.740 0.348 0.000 2.156 307 C HN 2.425 nan 8.230 nan 0.000 0.638 308 G N 2.129 110.944 108.800 0.025 0.000 2.212 308 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.255 308 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.255 308 G C 0.900 175.646 174.900 -0.256 0.000 1.062 308 G CA 0.717 45.775 45.100 -0.070 0.000 0.815 308 G HN 0.579 nan 8.290 nan 0.000 0.497 309 K N -0.718 119.515 120.400 -0.278 0.000 2.020 309 K HA -0.146 4.173 4.320 -0.001 0.000 0.212 309 K C 2.521 179.013 176.600 -0.181 0.000 1.050 309 K CA 2.235 58.333 56.287 -0.316 0.000 0.929 309 K CB -0.274 32.162 32.500 -0.106 0.000 0.714 309 K HN 0.365 nan 8.250 nan 0.000 0.443 310 T N 1.065 115.552 114.554 -0.110 0.000 2.904 310 T HA -0.040 4.309 4.350 -0.001 0.000 0.267 310 T C 1.440 176.073 174.700 -0.110 0.000 1.059 310 T CA 1.150 63.193 62.100 -0.095 0.000 1.137 310 T CB -0.264 68.563 68.868 -0.069 0.000 0.879 310 T HN 0.287 nan 8.240 nan 0.000 0.467 311 N N 1.191 119.828 118.700 -0.106 0.000 2.166 311 N HA -0.005 4.734 4.740 -0.001 0.000 0.186 311 N C 1.593 177.023 175.510 -0.134 0.000 1.019 311 N CA 0.527 53.522 53.050 -0.093 0.000 0.856 311 N CB -0.471 37.968 38.487 -0.081 0.000 0.993 311 N HN 0.226 nan 8.380 nan 0.000 0.426 312 L N 0.582 121.701 121.223 -0.173 0.000 2.072 312 L HA 0.120 4.459 4.340 -0.001 0.000 0.205 312 L C 1.953 178.783 176.870 -0.067 0.000 1.079 312 L CA 1.325 56.080 54.840 -0.141 0.000 0.752 312 L CB -0.837 41.137 42.059 -0.143 0.000 0.906 312 L HN 0.107 nan 8.230 nan 0.000 0.436 313 A N 0.002 122.789 122.820 -0.054 0.000 1.969 313 A HA -0.113 4.206 4.320 -0.001 0.000 0.218 313 A C 1.766 179.332 177.584 -0.030 0.000 1.169 313 A CA 1.742 53.778 52.037 -0.002 0.000 0.635 313 A CB -0.620 18.394 19.000 0.022 0.000 0.810 313 A HN 0.600 nan 8.150 nan 0.000 0.445 314 M N -0.764 118.783 119.600 -0.088 0.000 2.869 314 M HA 0.437 4.917 4.480 -0.001 0.000 0.353 314 M C 0.101 176.343 176.300 -0.098 0.000 1.224 314 M CA -0.385 54.852 55.300 -0.105 0.000 0.917 314 M CB -0.254 32.241 32.600 -0.175 0.000 1.322 314 M HN 0.376 nan 8.290 nan 0.000 0.516 315 M N 0.881 120.429 119.600 -0.085 0.000 2.243 315 M HA 0.322 4.801 4.480 -0.001 0.000 0.341 315 M C -0.899 175.344 176.300 -0.096 0.000 1.130 315 M CA 0.929 56.174 55.300 -0.092 0.000 1.162 315 M CB 0.954 33.488 32.600 -0.110 0.000 1.497 315 M HN 0.170 nan 8.290 nan 0.000 0.456 316 T N 5.435 119.928 114.554 -0.102 0.000 2.738 316 T HA 0.454 4.803 4.350 -0.001 0.000 0.298 316 T C -2.342 172.285 174.700 -0.122 0.000 0.962 316 T CA -0.995 61.041 62.100 -0.107 0.000 0.972 316 T CB 0.352 69.155 68.868 -0.108 0.000 0.928 316 T HN 0.566 nan 8.240 nan 0.000 0.474 317 P HA 0.279 nan 4.420 nan 0.000 0.274 317 P C -0.199 177.021 177.300 -0.133 0.000 1.231 317 P CA -0.503 62.530 63.100 -0.111 0.000 0.790 317 P CB 0.843 32.517 31.700 -0.044 0.000 0.951 318 S N 0.839 116.424 115.700 -0.191 0.000 2.601 318 S HA 0.253 4.723 4.470 -0.001 0.000 0.244 318 S C 0.398 174.952 174.600 -0.076 0.000 1.001 318 S CA -0.263 57.805 58.200 -0.219 0.000 0.984 318 S CB -0.327 62.521 63.200 -0.586 0.000 0.842 318 S HN 0.362 nan 8.310 nan 0.000 0.474 319 L N 3.324 124.530 121.223 -0.028 0.000 2.294 319 L HA 0.427 4.766 4.340 -0.001 0.000 0.283 319 L C -2.666 174.308 176.870 0.174 0.000 1.015 319 L CA -2.445 52.427 54.840 0.054 0.000 0.831 319 L CB 1.647 43.655 42.059 -0.084 0.000 1.217 319 L HN -0.054 nan 8.230 nan 0.000 0.420 320 P HA 0.082 nan 4.420 nan 0.000 0.264 320 P C 0.711 178.100 177.300 0.148 0.000 1.183 320 P CA 0.691 63.856 63.100 0.109 0.000 0.763 320 P CB 0.802 32.544 31.700 0.070 0.000 0.807 321 G N 0.660 109.492 108.800 0.053 0.000 2.268 321 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.240 321 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.240 321 G C -0.405 174.396 174.900 -0.166 0.000 1.010 321 G CA -0.601 44.455 45.100 -0.074 0.000 0.618 321 G HN 0.399 nan 8.290 nan 0.000 0.516 322 W N 1.848 123.094 121.300 -0.091 0.000 2.261 322 W HA 0.763 5.423 4.660 -0.001 0.000 0.323 322 W C 0.949 177.406 176.519 -0.103 0.000 1.243 322 W CA -0.440 56.834 57.345 -0.117 0.000 1.210 322 W CB 0.604 29.989 29.460 -0.124 0.000 1.149 322 W HN 0.125 nan 8.180 nan 0.000 0.562 323 R N 3.254 123.814 120.500 0.100 0.000 2.670 323 R HA 0.627 4.966 4.340 -0.001 0.000 0.289 323 R C -0.919 175.395 176.300 0.022 0.000 0.965 323 R CA -1.068 55.037 56.100 0.010 0.000 0.899 323 R CB 1.905 32.194 30.300 -0.019 0.000 1.173 323 R HN 0.244 nan 8.270 nan 0.000 0.456 324 I N 2.592 123.105 120.570 -0.095 0.000 2.465 324 I HA 0.339 4.509 4.170 -0.001 0.000 0.291 324 I C -0.458 175.534 176.117 -0.210 0.000 1.014 324 I CA -0.726 60.539 61.300 -0.058 0.000 1.093 324 I CB 1.680 39.661 38.000 -0.031 0.000 1.267 324 I HN 0.627 nan 8.210 nan 0.000 0.431 325 H N 2.989 122.085 119.070 0.043 0.000 2.622 325 H HA 0.386 4.941 4.556 -0.001 0.000 0.363 325 H C -0.608 174.779 175.328 0.098 0.000 1.151 325 H CA -0.264 55.824 56.048 0.066 0.000 1.184 325 H CB 2.215 32.031 29.762 0.091 0.000 1.643 325 H HN 0.648 nan 8.280 nan 0.000 0.531 326 C N 3.864 123.289 119.300 0.208 0.000 2.347 326 C HA 0.333 4.792 4.460 -0.001 0.000 0.353 326 C C 1.348 176.479 174.990 0.236 0.000 1.273 326 C CA -0.203 58.923 59.018 0.179 0.000 1.861 326 C CB -1.019 26.783 27.740 0.103 0.000 2.420 326 C HN 0.761 nan 8.230 nan 0.000 0.542 327 V N 5.235 125.315 119.914 0.276 0.000 2.581 327 V HA 0.407 4.527 4.120 -0.001 0.000 0.240 327 V C 1.369 177.621 176.094 0.263 0.000 1.054 327 V CA 1.356 63.844 62.300 0.313 0.000 1.076 327 V CB -0.226 31.785 31.823 0.315 0.000 0.748 327 V HN 1.048 nan 8.190 nan 0.000 0.474 328 G N -0.059 108.883 108.800 0.237 0.000 2.677 328 G HA2 0.481 4.440 3.960 -0.001 0.000 0.291 328 G HA3 0.481 4.440 3.960 -0.001 0.000 0.291 328 G C -1.239 173.815 174.900 0.256 0.000 1.435 328 G CA 0.412 45.651 45.100 0.231 0.000 0.826 328 G HN 0.146 nan 8.290 nan 0.000 0.491 329 D N -1.307 119.281 120.400 0.313 0.000 2.535 329 D HA 0.227 4.867 4.640 -0.001 0.000 0.229 329 D C 0.239 176.649 176.300 0.184 0.000 1.238 329 D CA 0.016 54.149 54.000 0.222 0.000 0.824 329 D CB 1.290 42.191 40.800 0.168 0.000 1.045 329 D HN 0.337 nan 8.370 nan 0.000 0.500 330 D N -0.854 119.658 120.400 0.186 0.000 2.315 330 D HA 0.167 4.806 4.640 -0.001 0.000 0.272 330 D C -0.410 176.028 176.300 0.231 0.000 1.238 330 D CA 0.127 54.243 54.000 0.193 0.000 1.160 330 D CB 0.806 41.718 40.800 0.186 0.000 1.780 330 D HN -0.043 nan 8.370 nan 0.000 0.484 331 I N 1.793 122.459 120.570 0.161 0.000 2.509 331 I HA 0.721 4.890 4.170 -0.001 0.000 0.293 331 I C -0.590 175.617 176.117 0.150 0.000 1.020 331 I CA -1.075 60.321 61.300 0.160 0.000 1.088 331 I CB 1.188 39.205 38.000 0.027 0.000 1.267 331 I HN 0.134 nan 8.210 nan 0.000 0.430 332 A N 6.046 129.034 122.820 0.279 0.000 2.359 332 A HA 0.727 5.046 4.320 -0.001 0.000 0.303 332 A C -1.946 175.975 177.584 0.561 0.000 1.066 332 A CA -0.448 51.775 52.037 0.311 0.000 0.730 332 A CB 1.002 20.188 19.000 0.309 0.000 1.211 332 A HN 0.575 nan 8.150 nan 0.000 0.439 333 W N 2.233 123.661 121.300 0.213 0.000 2.417 333 W HA 0.714 5.373 4.660 -0.001 0.000 0.315 333 W C -0.339 176.291 176.519 0.185 0.000 1.045 333 W CA -1.072 56.447 57.345 0.290 0.000 1.221 333 W CB 1.282 30.863 29.460 0.202 0.000 1.309 333 W HN 0.526 nan 8.180 nan 0.000 0.453 334 M N 3.522 123.376 119.600 0.424 0.000 2.393 334 M HA 0.457 4.936 4.480 -0.001 0.000 0.299 334 M C -0.545 175.818 176.300 0.105 0.000 1.103 334 M CA -0.852 54.555 55.300 0.178 0.000 0.910 334 M CB 3.131 35.795 32.600 0.106 0.000 1.659 334 M HN 0.265 nan 8.290 nan 0.000 0.445 335 K N 2.084 122.463 120.400 -0.035 0.000 2.525 335 K HA 0.563 4.882 4.320 -0.001 0.000 0.254 335 K C -1.662 174.865 176.600 -0.123 0.000 0.934 335 K CA -0.573 55.686 56.287 -0.047 0.000 0.802 335 K CB 1.887 34.374 32.500 -0.021 0.000 1.295 335 K HN 0.460 nan 8.250 nan 0.000 0.433 336 F N 3.196 123.162 119.950 0.026 0.000 2.572 336 F HA 0.020 4.547 4.527 -0.001 0.000 0.370 336 F C 1.173 176.968 175.800 -0.008 0.000 1.103 336 F CA 0.314 58.312 58.000 -0.003 0.000 1.286 336 F CB 0.339 39.320 39.000 -0.031 0.000 1.105 336 F HN 0.611 nan 8.300 nan 0.000 0.583 337 D N 0.917 121.429 120.400 0.187 0.000 2.478 337 D HA 0.070 4.709 4.640 -0.001 0.000 0.269 337 D C 0.546 176.894 176.300 0.080 0.000 1.232 337 D CA -0.438 53.617 54.000 0.093 0.000 1.059 337 D CB 0.361 41.193 40.800 0.053 0.000 1.104 337 D HN 0.375 nan 8.370 nan 0.000 0.566 338 D N -0.782 119.641 120.400 0.040 0.000 2.263 338 D HA -0.117 4.523 4.640 -0.001 0.000 0.208 338 D C 1.039 177.346 176.300 0.012 0.000 0.971 338 D CA 0.897 54.909 54.000 0.020 0.000 0.867 338 D CB 0.020 40.825 40.800 0.008 0.000 0.929 338 D HN 0.572 nan 8.370 nan 0.000 0.492 339 E N -0.641 119.573 120.200 0.024 0.000 2.479 339 E HA 0.188 4.537 4.350 -0.001 0.000 0.193 339 E C 1.070 177.679 176.600 0.014 0.000 1.049 339 E CA 0.194 56.603 56.400 0.015 0.000 0.870 339 E CB 0.483 30.196 29.700 0.022 0.000 0.944 339 E HN 0.259 nan 8.360 nan 0.000 0.492 340 G N 1.890 110.710 108.800 0.034 0.000 2.157 340 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.248 340 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.248 340 G C 0.155 175.165 174.900 0.182 0.000 0.979 340 G CA -0.312 44.789 45.100 0.001 0.000 0.650 340 G HN 0.042 nan 8.290 nan 0.000 0.529 341 R N -0.226 120.396 120.500 0.203 0.000 2.340 341 R HA 0.395 4.735 4.340 -0.001 0.000 0.300 341 R C 0.096 176.552 176.300 0.261 0.000 1.069 341 R CA -0.787 55.443 56.100 0.216 0.000 0.984 341 R CB 1.286 31.655 30.300 0.114 0.000 1.003 341 R HN 0.247 nan 8.270 nan 0.000 0.459 342 L N 4.877 126.206 121.223 0.177 0.000 2.385 342 L HA 0.099 4.438 4.340 -0.001 0.000 0.281 342 L C 0.088 176.923 176.870 -0.058 0.000 1.106 342 L CA 0.531 55.279 54.840 -0.154 0.000 0.856 342 L CB 0.091 41.995 42.059 -0.258 0.000 1.186 342 L HN 0.276 nan 8.230 nan 0.000 0.453 343 R N 4.653 125.111 120.500 -0.070 0.000 2.312 343 R HA 0.716 5.055 4.340 -0.001 0.000 0.311 343 R C -0.652 175.632 176.300 -0.027 0.000 1.004 343 R CA -0.500 55.574 56.100 -0.043 0.000 0.902 343 R CB 1.502 31.779 30.300 -0.038 0.000 1.073 343 R HN 0.710 nan 8.270 nan 0.000 0.457 344 A N 4.203 127.013 122.820 -0.017 0.000 2.342 344 A HA 0.679 4.998 4.320 -0.001 0.000 0.323 344 A C -0.007 177.586 177.584 0.015 0.000 1.125 344 A CA -0.861 51.203 52.037 0.045 0.000 0.785 344 A CB 0.837 19.889 19.000 0.086 0.000 1.221 344 A HN 0.793 nan 8.150 nan 0.000 0.463 345 I N -0.505 120.100 120.570 0.058 0.000 2.693 345 I HA 0.601 4.771 4.170 -0.001 0.000 0.303 345 I C -0.318 175.804 176.117 0.010 0.000 1.025 345 I CA -0.995 60.310 61.300 0.008 0.000 1.086 345 I CB 1.993 39.971 38.000 -0.037 0.000 1.268 345 I HN 0.495 nan 8.210 nan 0.000 0.440 346 N N 5.520 124.216 118.700 -0.006 0.000 2.420 346 N HA 0.364 5.104 4.740 -0.001 0.000 0.249 346 N C -1.885 173.511 175.510 -0.191 0.000 1.033 346 N CA -2.580 50.448 53.050 -0.038 0.000 0.944 346 N CB 0.943 39.494 38.487 0.107 0.000 1.113 346 N HN 0.463 nan 8.380 nan 0.000 0.502 347 P HA 0.068 nan 4.420 nan 0.000 0.249 347 P C -0.620 176.418 177.300 -0.437 0.000 1.241 347 P CA 0.588 63.276 63.100 -0.688 0.000 0.781 347 P CB 0.390 31.102 31.700 -1.645 0.000 1.088 348 E N -0.347 119.700 120.200 -0.255 0.000 2.264 348 E HA 0.395 4.744 4.350 -0.001 0.000 0.260 348 E C 0.317 176.883 176.600 -0.057 0.000 0.961 348 E CA -0.830 55.466 56.400 -0.174 0.000 0.834 348 E CB 1.930 31.527 29.700 -0.172 0.000 1.230 348 E HN -0.159 nan 8.360 nan 0.000 0.412 349 R N -0.089 120.370 120.500 -0.069 0.000 2.509 349 R HA 0.236 4.576 4.340 -0.001 0.000 0.297 349 R C -0.093 176.126 176.300 -0.136 0.000 0.951 349 R CA 0.078 56.204 56.100 0.043 0.000 1.103 349 R CB 0.894 31.212 30.300 0.031 0.000 1.283 349 R HN 0.542 nan 8.270 nan 0.000 0.534 350 G N -0.616 108.011 108.800 -0.288 0.000 2.687 350 G HA2 0.460 4.419 3.960 -0.001 0.000 0.291 350 G HA3 0.460 4.419 3.960 -0.001 0.000 0.291 350 G C -1.643 172.973 174.900 -0.473 0.000 1.420 350 G CA -0.611 44.260 45.100 -0.382 0.000 0.796 350 G HN -0.001 nan 8.290 nan 0.000 0.485 351 F N -0.094 119.877 119.950 0.035 0.000 2.482 351 F HA 0.572 5.099 4.527 -0.001 0.000 0.331 351 F C -0.639 175.224 175.800 0.105 0.000 1.115 351 F CA -0.967 57.082 58.000 0.081 0.000 0.955 351 F CB 2.265 41.360 39.000 0.159 0.000 1.136 351 F HN 0.289 nan 8.300 nan 0.000 0.452 352 F N 3.069 123.028 119.950 0.017 0.000 2.366 352 F HA 0.703 5.229 4.527 -0.001 0.000 0.357 352 F C 0.095 175.678 175.800 -0.362 0.000 1.107 352 F CA -0.872 57.018 58.000 -0.182 0.000 1.208 352 F CB 0.222 39.127 39.000 -0.160 0.000 1.464 352 F HN 0.455 nan 8.300 nan 0.000 0.501 353 G N 3.047 111.173 108.800 -1.123 0.000 2.420 353 G HA2 0.507 4.466 3.960 -0.001 0.000 0.331 353 G HA3 0.507 4.466 3.960 -0.001 0.000 0.331 353 G C -1.174 172.890 174.900 -1.394 0.000 1.168 353 G CA -0.777 43.558 45.100 -1.275 0.000 0.936 353 G HN 0.267 nan 8.290 nan 0.000 0.479 354 V N 1.777 121.252 119.914 -0.731 0.000 2.529 354 V HA 0.234 4.353 4.120 -0.001 0.000 0.292 354 V C 1.490 177.283 176.094 -0.502 0.000 1.028 354 V CA 0.730 62.712 62.300 -0.529 0.000 1.074 354 V CB 0.721 32.370 31.823 -0.291 0.000 0.958 354 V HN 0.987 nan 8.190 nan 0.000 0.481 355 A N 7.688 130.177 122.820 -0.551 0.000 1.855 355 A HA 0.171 4.490 4.320 -0.001 0.000 0.213 355 A C -1.284 175.688 177.584 -1.020 0.000 1.195 355 A CA 0.546 52.111 52.037 -0.787 0.000 0.610 355 A CB -1.068 17.334 19.000 -0.996 0.000 0.837 355 A HN 0.719 nan 8.150 nan 0.000 0.444 356 P HA 0.252 nan 4.420 nan 0.000 0.264 356 P C 0.862 178.069 177.300 -0.155 0.000 1.183 356 P CA 1.964 64.868 63.100 -0.326 0.000 0.763 356 P CB 0.529 32.125 31.700 -0.173 0.000 0.807 357 G N 1.616 110.452 108.800 0.061 0.000 2.258 357 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.233 357 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.233 357 G C 0.274 175.265 174.900 0.151 0.000 1.006 357 G CA 0.021 45.180 45.100 0.099 0.000 0.620 357 G HN 0.589 nan 8.290 nan 0.000 0.511 358 T N 2.120 116.768 114.554 0.156 0.000 2.834 358 T HA 0.540 4.889 4.350 -0.001 0.000 0.298 358 T C 0.429 175.351 174.700 0.369 0.000 0.966 358 T CA 0.952 63.184 62.100 0.220 0.000 1.141 358 T CB 1.215 70.154 68.868 0.119 0.000 0.905 358 T HN 1.511 nan 8.240 nan 0.000 0.535 359 S N 1.517 117.315 115.700 0.164 0.000 2.625 359 S HA 0.437 4.906 4.470 -0.001 0.000 0.271 359 S C 1.021 175.626 174.600 0.008 0.000 1.161 359 S CA -0.897 57.356 58.200 0.088 0.000 0.820 359 S CB 1.479 64.709 63.200 0.049 0.000 1.137 359 S HN 0.308 nan 8.310 nan 0.000 0.470 360 S N 0.441 116.127 115.700 -0.022 0.000 2.399 360 S HA -0.061 4.408 4.470 -0.001 0.000 0.231 360 S C 1.802 176.351 174.600 -0.084 0.000 1.022 360 S CA 1.229 59.397 58.200 -0.052 0.000 0.983 360 S CB -0.494 62.675 63.200 -0.051 0.000 0.803 360 S HN 0.701 nan 8.310 nan 0.000 0.480 361 R N 0.921 121.363 120.500 -0.097 0.000 2.075 361 R HA -0.111 4.228 4.340 -0.001 0.000 0.232 361 R C 2.430 178.581 176.300 -0.248 0.000 1.126 361 R CA 1.900 57.902 56.100 -0.162 0.000 0.963 361 R CB -0.387 29.820 30.300 -0.154 0.000 0.858 361 R HN 0.592 nan 8.270 nan 0.000 0.435 362 T N -2.870 111.571 114.554 -0.187 0.000 3.010 362 T HA 0.056 4.406 4.350 -0.001 0.000 0.252 362 T C 0.818 175.497 174.700 -0.035 0.000 1.047 362 T CA 0.256 62.248 62.100 -0.180 0.000 1.140 362 T CB 0.215 69.100 68.868 0.028 0.000 0.885 362 T HN 0.042 nan 8.240 nan 0.000 0.464 363 N N 1.523 120.199 118.700 -0.039 0.000 2.751 363 N HA 0.283 5.023 4.740 -0.001 0.000 0.234 363 N C -2.531 172.934 175.510 -0.076 0.000 1.403 363 N CA -1.624 51.398 53.050 -0.047 0.000 0.747 363 N CB 1.847 40.313 38.487 -0.035 0.000 1.326 363 N HN 0.031 nan 8.380 nan 0.000 0.532 364 P HA -0.091 nan 4.420 nan 0.000 0.218 364 P C 0.870 178.111 177.300 -0.098 0.000 1.148 364 P CA 1.031 64.080 63.100 -0.085 0.000 0.822 364 P CB 0.614 32.264 31.700 -0.084 0.000 0.784 365 N N 0.308 118.941 118.700 -0.111 0.000 2.166 365 N HA -0.102 4.637 4.740 -0.001 0.000 0.186 365 N C 1.921 177.324 175.510 -0.179 0.000 1.019 365 N CA 1.553 54.525 53.050 -0.130 0.000 0.856 365 N CB -0.851 37.557 38.487 -0.132 0.000 0.993 365 N HN 0.116 nan 8.380 nan 0.000 0.426 366 A N 1.460 124.153 122.820 -0.211 0.000 1.898 366 A HA -0.077 4.242 4.320 -0.001 0.000 0.216 366 A C 2.234 179.639 177.584 -0.297 0.000 1.181 366 A CA 1.132 52.982 52.037 -0.311 0.000 0.620 366 A CB -0.311 18.515 19.000 -0.291 0.000 0.819 366 A HN 0.087 nan 8.150 nan 0.000 0.442 367 M N -0.232 119.261 119.600 -0.177 0.000 2.108 367 M HA -0.154 4.325 4.480 -0.001 0.000 0.261 367 M C 2.494 178.721 176.300 -0.121 0.000 1.066 367 M CA 1.704 56.932 55.300 -0.120 0.000 1.107 367 M CB -1.560 31.001 32.600 -0.066 0.000 1.356 367 M HN 0.493 nan 8.290 nan 0.000 0.406 368 A N -0.219 122.534 122.820 -0.112 0.000 1.898 368 A HA -0.121 4.198 4.320 -0.001 0.000 0.216 368 A C 2.295 179.823 177.584 -0.094 0.000 1.181 368 A CA 2.143 54.129 52.037 -0.086 0.000 0.620 368 A CB -1.105 17.852 19.000 -0.070 0.000 0.819 368 A HN 0.500 nan 8.150 nan 0.000 0.442 369 T N 0.783 115.255 114.554 -0.137 0.000 2.759 369 T HA -0.128 4.221 4.350 -0.001 0.000 0.269 369 T C 1.611 176.231 174.700 -0.134 0.000 1.042 369 T CA 1.631 63.658 62.100 -0.122 0.000 1.140 369 T CB -0.504 68.261 68.868 -0.171 0.000 0.864 369 T HN 0.753 nan 8.240 nan 0.000 0.455 370 I N -1.236 119.206 120.570 -0.213 0.000 3.883 370 I HA 0.538 4.707 4.170 -0.001 0.000 0.326 370 I C 2.101 178.181 176.117 -0.061 0.000 1.283 370 I CA -0.139 61.038 61.300 -0.205 0.000 1.161 370 I CB -0.212 37.551 38.000 -0.395 0.000 1.012 370 I HN 0.026 nan 8.210 nan 0.000 0.421 371 A N 2.493 125.267 122.820 -0.077 0.000 2.119 371 A HA 0.092 4.411 4.320 -0.001 0.000 0.216 371 A C 1.185 178.763 177.584 -0.010 0.000 1.152 371 A CA 0.469 52.453 52.037 -0.090 0.000 0.708 371 A CB -0.137 18.830 19.000 -0.056 0.000 0.805 371 A HN 0.719 nan 8.150 nan 0.000 0.460 372 R N -2.675 117.842 120.500 0.028 0.000 2.680 372 R HA 0.373 4.712 4.340 -0.001 0.000 0.269 372 R C -1.103 175.249 176.300 0.087 0.000 1.026 372 R CA -0.596 55.554 56.100 0.083 0.000 0.889 372 R CB 0.402 30.747 30.300 0.075 0.000 1.241 372 R HN 0.002 nan 8.270 nan 0.000 0.463 373 N N -0.169 118.613 118.700 0.137 0.000 2.735 373 N HA -0.135 4.604 4.740 -0.001 0.000 0.248 373 N C -1.220 174.360 175.510 0.116 0.000 1.083 373 N CA 1.709 54.849 53.050 0.149 0.000 0.703 373 N CB -1.012 37.536 38.487 0.102 0.000 1.005 373 N HN 0.750 nan 8.380 nan 0.000 0.550 374 T N 0.874 115.500 114.554 0.120 0.000 2.863 374 T HA 0.582 4.931 4.350 -0.001 0.000 0.285 374 T C 0.321 175.029 174.700 0.013 0.000 1.009 374 T CA -0.577 61.499 62.100 -0.039 0.000 0.989 374 T CB 1.888 70.603 68.868 -0.255 0.000 1.004 374 T HN -0.024 nan 8.240 nan 0.000 0.455 375 I N 3.412 123.952 120.570 -0.051 0.000 2.339 375 I HA 0.428 4.597 4.170 -0.001 0.000 0.290 375 I C -0.568 175.527 176.117 -0.037 0.000 0.994 375 I CA -1.086 60.277 61.300 0.106 0.000 1.191 375 I CB 0.412 38.472 38.000 0.101 0.000 1.343 375 I HN 0.559 nan 8.210 nan 0.000 0.458 376 F N 3.826 123.954 119.950 0.297 0.000 2.421 376 F HA 0.488 5.014 4.527 -0.001 0.000 0.337 376 F C 0.709 176.659 175.800 0.250 0.000 1.105 376 F CA -0.366 57.784 58.000 0.250 0.000 1.049 376 F CB 1.741 40.905 39.000 0.273 0.000 1.139 376 F HN 0.276 nan 8.300 nan 0.000 0.479 377 T N 3.143 117.895 114.554 0.330 0.000 2.809 377 T HA 0.246 4.595 4.350 -0.001 0.000 0.284 377 T C -0.266 174.500 174.700 0.110 0.000 0.992 377 T CA -0.817 61.422 62.100 0.231 0.000 0.957 377 T CB 0.874 69.882 68.868 0.233 0.000 0.942 377 T HN 0.606 nan 8.240 nan 0.000 0.439 378 N N 0.303 119.063 118.700 0.101 0.000 2.741 378 N HA -0.140 4.599 4.740 -0.001 0.000 0.250 378 N C 0.174 175.745 175.510 0.102 0.000 1.115 378 N CA 1.082 54.180 53.050 0.080 0.000 0.724 378 N CB -1.818 36.553 38.487 -0.193 0.000 1.090 378 N HN 0.689 nan 8.380 nan 0.000 0.558 379 V N -2.896 117.121 119.914 0.172 0.000 3.262 379 V HA 0.921 5.040 4.120 -0.001 0.000 0.313 379 V C 1.388 177.582 176.094 0.167 0.000 1.070 379 V CA -0.151 62.262 62.300 0.187 0.000 1.049 379 V CB 1.061 33.081 31.823 0.329 0.000 1.157 379 V HN 0.151 nan 8.190 nan 0.000 0.454 380 G N 0.095 108.969 108.800 0.123 0.000 2.539 380 G HA2 0.507 4.466 3.960 -0.001 0.000 0.258 380 G HA3 0.507 4.466 3.960 -0.001 0.000 0.258 380 G C -1.029 173.937 174.900 0.109 0.000 1.202 380 G CA -0.390 44.768 45.100 0.096 0.000 0.851 380 G HN 0.977 nan 8.290 nan 0.000 0.556 381 L N 0.437 121.715 121.223 0.093 0.000 2.341 381 L HA 0.610 4.949 4.340 -0.001 0.000 0.278 381 L C 0.243 177.151 176.870 0.063 0.000 1.005 381 L CA -0.792 54.077 54.840 0.048 0.000 0.818 381 L CB 1.595 43.637 42.059 -0.028 0.000 1.259 381 L HN 0.602 nan 8.230 nan 0.000 0.418 382 R N 1.906 122.411 120.500 0.008 0.000 2.643 382 R HA 0.411 4.750 4.340 -0.001 0.000 0.272 382 R C 1.098 177.322 176.300 -0.126 0.000 0.995 382 R CA 0.068 56.110 56.100 -0.097 0.000 1.032 382 R CB 1.246 31.474 30.300 -0.120 0.000 1.126 382 R HN 0.800 nan 8.270 nan 0.000 0.505 383 S N -0.142 115.448 115.700 -0.183 0.000 2.474 383 S HA -0.147 4.322 4.470 -0.001 0.000 0.235 383 S C 1.005 175.530 174.600 -0.125 0.000 0.997 383 S CA 1.333 59.451 58.200 -0.136 0.000 0.949 383 S CB -0.236 62.875 63.200 -0.148 0.000 0.766 383 S HN 0.771 nan 8.310 nan 0.000 0.517 384 D N 0.364 120.675 120.400 -0.147 0.000 2.328 384 D HA 0.254 4.894 4.640 -0.001 0.000 0.221 384 D C 1.279 177.475 176.300 -0.173 0.000 1.072 384 D CA 0.428 54.342 54.000 -0.144 0.000 0.850 384 D CB -0.594 40.120 40.800 -0.143 0.000 0.922 384 D HN 0.534 nan 8.370 nan 0.000 0.516 385 G N -0.844 107.859 108.800 -0.162 0.000 2.136 385 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.242 385 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.242 385 G C 0.556 175.277 174.900 -0.299 0.000 0.989 385 G CA 0.041 45.028 45.100 -0.188 0.000 0.682 385 G HN 0.809 nan 8.290 nan 0.000 0.522 386 G N -1.482 107.153 108.800 -0.275 0.000 2.795 386 G HA2 0.908 4.867 3.960 -0.001 0.000 0.267 386 G HA3 0.908 4.867 3.960 -0.001 0.000 0.267 386 G C 0.196 175.082 174.900 -0.023 0.000 1.362 386 G CA 0.247 45.182 45.100 -0.275 0.000 1.048 386 G HN 1.500 nan 8.290 nan 0.000 0.547 387 V N -3.049 116.898 119.914 0.056 0.000 2.994 387 V HA 0.839 4.958 4.120 -0.001 0.000 0.318 387 V C -1.115 174.923 176.094 -0.093 0.000 1.085 387 V CA -1.223 61.034 62.300 -0.071 0.000 0.998 387 V CB 1.687 33.322 31.823 -0.314 0.000 1.063 387 V HN 0.769 nan 8.190 nan 0.000 0.447 388 Y N 2.236 122.418 120.300 -0.196 0.000 2.470 388 Y HA 0.768 5.317 4.550 -0.001 0.000 0.341 388 Y C -1.474 174.329 175.900 -0.161 0.000 1.021 388 Y CA -1.240 56.684 58.100 -0.293 0.000 1.025 388 Y CB 2.095 40.483 38.460 -0.121 0.000 1.266 388 Y HN 1.077 nan 8.280 nan 0.000 0.448 389 W N 3.541 124.156 121.300 -1.142 0.000 3.118 389 W HA 0.512 5.171 4.660 -0.001 0.000 0.328 389 W C -1.512 174.342 176.519 -1.108 0.000 1.239 389 W CA -1.399 55.394 57.345 -0.921 0.000 1.176 389 W CB 0.413 29.627 29.460 -0.410 0.000 1.433 389 W HN 0.590 nan 8.180 nan 0.000 0.562 390 D N 0.770 120.970 120.400 -0.334 0.000 2.531 390 D HA 0.343 4.983 4.640 -0.001 0.000 0.239 390 D C 1.344 177.673 176.300 0.049 0.000 1.144 390 D CA 3.137 57.081 54.000 -0.093 0.000 0.869 390 D CB 0.651 41.473 40.800 0.037 0.000 1.160 390 D HN 1.155 nan 8.370 nan 0.000 0.484 391 G N 2.653 111.478 108.800 0.042 0.000 2.234 391 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.235 391 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.235 391 G C 0.263 175.182 174.900 0.031 0.000 0.997 391 G CA 0.056 45.209 45.100 0.088 0.000 0.623 391 G HN 0.649 nan 8.290 nan 0.000 0.514 392 L N 2.478 123.589 121.223 -0.188 0.000 2.499 392 L HA 0.513 4.852 4.340 -0.001 0.000 0.273 392 L C 0.922 177.727 176.870 -0.108 0.000 1.195 392 L CA 0.918 55.547 54.840 -0.353 0.000 0.882 392 L CB 0.777 42.209 42.059 -1.044 0.000 1.133 392 L HN 0.356 nan 8.230 nan 0.000 0.483 393 D N 2.320 122.676 120.400 -0.074 0.000 2.535 393 D HA 0.020 4.659 4.640 -0.001 0.000 0.229 393 D C 0.248 176.532 176.300 -0.027 0.000 1.238 393 D CA -0.317 53.670 54.000 -0.022 0.000 0.824 393 D CB -0.256 40.533 40.800 -0.019 0.000 1.045 393 D HN 0.635 nan 8.370 nan 0.000 0.500 394 E N 1.888 122.057 120.200 -0.052 0.000 2.480 394 E HA 0.088 4.437 4.350 -0.001 0.000 0.258 394 E C -1.937 174.663 176.600 0.001 0.000 0.984 394 E CA -1.344 55.039 56.400 -0.029 0.000 0.930 394 E CB 0.535 30.213 29.700 -0.038 0.000 0.936 394 E HN -0.018 nan 8.360 nan 0.000 0.466 395 P HA 0.008 nan 4.420 nan 0.000 0.265 395 P C -1.056 176.245 177.300 0.001 0.000 1.193 395 P CA 0.159 63.259 63.100 0.000 0.000 0.765 395 P CB 0.788 32.484 31.700 -0.007 0.000 0.823 396 T N -0.779 113.775 114.554 0.000 0.000 2.906 396 T HA 0.393 4.742 4.350 -0.001 0.000 0.295 396 T C -0.264 174.420 174.700 -0.027 0.000 1.061 396 T CA -1.075 61.015 62.100 -0.017 0.000 1.000 396 T CB 1.382 70.242 68.868 -0.013 0.000 1.103 396 T HN 0.126 nan 8.240 nan 0.000 0.486 397 E N 1.782 121.955 120.200 -0.045 0.000 2.404 397 E HA 0.268 4.617 4.350 -0.001 0.000 0.261 397 E C -2.220 174.352 176.600 -0.046 0.000 1.074 397 E CA -1.557 54.816 56.400 -0.045 0.000 0.917 397 E CB -0.037 29.631 29.700 -0.053 0.000 0.965 397 E HN 0.474 nan 8.360 nan 0.000 0.433 398 P HA 0.052 nan 4.420 nan 0.000 0.267 398 P C 0.632 177.902 177.300 -0.051 0.000 1.200 398 P CA 0.735 63.813 63.100 -0.036 0.000 0.772 398 P CB 0.403 32.085 31.700 -0.030 0.000 0.855 399 G N 0.361 109.130 108.800 -0.052 0.000 2.179 399 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.260 399 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.260 399 G C 0.148 174.981 174.900 -0.111 0.000 0.977 399 G CA -0.091 44.969 45.100 -0.066 0.000 0.641 399 G HN 0.552 nan 8.290 nan 0.000 0.533 400 V N 2.286 122.111 119.914 -0.148 0.000 2.655 400 V HA 0.516 4.635 4.120 -0.001 0.000 0.300 400 V C 1.167 177.002 176.094 -0.433 0.000 1.044 400 V CA 0.920 63.063 62.300 -0.261 0.000 1.095 400 V CB 1.061 32.723 31.823 -0.269 0.000 0.952 400 V HN 0.795 nan 8.190 nan 0.000 0.485 401 T N 2.519 116.792 114.554 -0.470 0.000 2.926 401 T HA 0.763 5.113 4.350 -0.001 0.000 0.289 401 T C -1.089 173.241 174.700 -0.617 0.000 1.054 401 T CA -0.742 61.074 62.100 -0.473 0.000 1.015 401 T CB 1.587 70.353 68.868 -0.169 0.000 1.167 401 T HN 0.326 nan 8.240 nan 0.000 0.526 402 Y N -0.874 119.440 120.300 0.024 0.000 2.499 402 Y HA 0.621 5.170 4.550 -0.001 0.000 0.347 402 Y C 0.270 176.227 175.900 0.095 0.000 0.987 402 Y CA -1.015 57.120 58.100 0.059 0.000 1.044 402 Y CB 2.656 41.197 38.460 0.135 0.000 1.245 402 Y HN 0.678 nan 8.280 nan 0.000 0.461 403 T N 1.849 116.533 114.554 0.217 0.000 2.809 403 T HA 0.358 4.707 4.350 -0.001 0.000 0.284 403 T C -0.168 174.594 174.700 0.104 0.000 0.992 403 T CA -0.976 61.209 62.100 0.142 0.000 0.957 403 T CB 0.825 69.730 68.868 0.061 0.000 0.942 403 T HN 0.745 nan 8.240 nan 0.000 0.439 404 S N 3.517 119.269 115.700 0.087 0.000 2.606 404 S HA 0.118 4.587 4.470 -0.001 0.000 0.257 404 S C 1.618 176.225 174.600 0.012 0.000 1.327 404 S CA -0.806 57.390 58.200 -0.007 0.000 0.984 404 S CB 0.305 63.490 63.200 -0.025 0.000 0.941 404 S HN 0.921 nan 8.310 nan 0.000 0.576 405 W N 0.151 121.419 121.300 -0.053 0.000 2.538 405 W HA 0.044 4.703 4.660 -0.001 0.000 0.254 405 W C 0.698 177.205 176.519 -0.020 0.000 1.249 405 W CA 0.166 57.492 57.345 -0.033 0.000 1.253 405 W CB -1.169 28.279 29.460 -0.020 0.000 1.130 405 W HN 0.523 nan 8.180 nan 0.000 0.618 406 L N 1.386 122.174 121.223 -0.724 0.000 2.591 406 L HA 0.277 4.616 4.340 -0.001 0.000 0.228 406 L C 1.820 178.530 176.870 -0.267 0.000 1.133 406 L CA 0.796 55.236 54.840 -0.667 0.000 0.880 406 L CB -0.891 40.718 42.059 -0.750 0.000 1.033 406 L HN 0.211 nan 8.230 nan 0.000 0.450 407 G N 0.751 109.464 108.800 -0.145 0.000 2.147 407 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.244 407 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.244 407 G C 0.081 174.965 174.900 -0.026 0.000 1.005 407 G CA 0.025 45.095 45.100 -0.050 0.000 0.713 407 G HN 0.378 nan 8.290 nan 0.000 0.515 408 K N 0.828 121.212 120.400 -0.028 0.000 2.208 408 K HA 0.582 4.901 4.320 -0.001 0.000 0.247 408 K C -2.335 174.312 176.600 0.078 0.000 0.953 408 K CA -2.219 54.076 56.287 0.014 0.000 0.837 408 K CB 2.167 34.667 32.500 -0.001 0.000 1.131 408 K HN 0.003 nan 8.250 nan 0.000 0.431 409 P HA -0.053 nan 4.420 nan 0.000 0.269 409 P C -1.261 176.155 177.300 0.194 0.000 1.209 409 P CA 0.021 63.190 63.100 0.115 0.000 0.776 409 P CB 0.410 32.145 31.700 0.058 0.000 0.876 410 W N 4.074 125.390 121.300 0.027 0.000 2.998 410 W HA 0.436 5.096 4.660 -0.001 0.000 0.335 410 W C -1.009 175.514 176.519 0.006 0.000 1.110 410 W CA -0.513 56.837 57.345 0.007 0.000 1.230 410 W CB 1.949 31.412 29.460 0.006 0.000 1.405 410 W HN 0.341 nan 8.180 nan 0.000 0.493 411 K N 3.611 123.585 120.400 -0.710 0.000 2.443 411 K HA 0.453 4.772 4.320 -0.001 0.000 0.251 411 K C -0.704 174.991 176.600 -1.508 0.000 0.972 411 K CA -0.974 54.863 56.287 -0.750 0.000 0.833 411 K CB 1.455 33.778 32.500 -0.295 0.000 1.317 411 K HN 0.419 nan 8.250 nan 0.000 0.441 412 H N 0.118 118.632 119.070 -0.927 0.000 3.094 412 H HA 0.010 4.565 4.556 -0.001 0.000 0.320 412 H C 1.196 176.252 175.328 -0.453 0.000 1.000 412 H CA 2.300 57.959 56.048 -0.648 0.000 1.413 412 H CB 0.847 30.481 29.762 -0.214 0.000 1.405 412 H HN 1.067 nan 8.280 nan 0.000 0.586 413 G N 3.268 111.935 108.800 -0.222 0.000 2.213 413 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.226 413 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.226 413 G C 0.001 174.798 174.900 -0.172 0.000 0.992 413 G CA -0.020 44.998 45.100 -0.138 0.000 0.632 413 G HN 0.574 nan 8.290 nan 0.000 0.511 414 D N 1.551 121.741 120.400 -0.350 0.000 2.423 414 D HA 0.346 4.985 4.640 -0.001 0.000 0.238 414 D C -0.352 175.939 176.300 -0.015 0.000 1.142 414 D CA -0.692 53.166 54.000 -0.237 0.000 0.884 414 D CB 1.087 41.618 40.800 -0.447 0.000 1.199 414 D HN 0.197 nan 8.370 nan 0.000 0.438 415 P HA -0.078 nan 4.420 nan 0.000 0.222 415 P C 0.063 177.443 177.300 0.133 0.000 1.147 415 P CA 0.940 64.080 63.100 0.067 0.000 0.790 415 P CB 0.664 32.392 31.700 0.047 0.000 0.780 416 E N 0.789 121.112 120.200 0.206 0.000 2.202 416 E HA 0.325 4.675 4.350 -0.001 0.000 0.272 416 E C -2.300 174.564 176.600 0.441 0.000 0.951 416 E CA -2.602 53.961 56.400 0.271 0.000 0.813 416 E CB 1.161 31.016 29.700 0.258 0.000 1.151 416 E HN 0.155 nan 8.360 nan 0.000 0.398 417 P HA 0.026 nan 4.420 nan 0.000 0.272 417 P C 0.776 178.051 177.300 -0.042 0.000 1.230 417 P CA -0.145 63.075 63.100 0.201 0.000 0.788 417 P CB 1.003 32.732 31.700 0.049 0.000 0.949 418 C N 2.001 120.875 119.300 -0.710 0.000 2.446 418 C HA 0.135 4.595 4.460 -0.001 0.000 0.277 418 C C 1.366 176.209 174.990 -0.245 0.000 1.275 418 C CA 1.231 59.548 59.018 -1.169 0.000 1.727 418 C CB -1.351 25.374 27.740 -1.692 0.000 2.010 418 C HN 0.671 nan 8.230 nan 0.000 0.486 419 A N 0.084 122.805 122.820 -0.165 0.000 2.312 419 A HA 0.489 4.808 4.320 -0.001 0.000 0.326 419 A C -0.268 177.203 177.584 -0.189 0.000 1.172 419 A CA -0.304 51.704 52.037 -0.049 0.000 0.821 419 A CB -0.145 18.839 19.000 -0.027 0.000 1.166 419 A HN 0.683 nan 8.150 nan 0.000 0.493 420 H N 2.362 121.034 119.070 -0.663 0.000 2.897 420 H HA 0.065 4.620 4.556 -0.001 0.000 0.347 420 H C -1.744 173.309 175.328 -0.458 0.000 1.068 420 H CA -0.802 54.699 56.048 -0.912 0.000 1.426 420 H CB 1.146 30.003 29.762 -1.508 0.000 1.410 420 H HN 0.292 nan 8.280 nan 0.000 0.597 421 P HA -0.108 nan 4.420 nan 0.000 0.221 421 P C 0.685 177.829 177.300 -0.259 0.000 1.145 421 P CA 1.283 64.130 63.100 -0.422 0.000 0.795 421 P CB 0.267 31.715 31.700 -0.420 0.000 0.775 422 N N -1.069 117.570 118.700 -0.100 0.000 2.251 422 N HA 0.014 4.753 4.740 -0.001 0.000 0.217 422 N C -0.356 175.110 175.510 -0.074 0.000 1.124 422 N CA -0.164 52.871 53.050 -0.025 0.000 0.843 422 N CB -0.227 38.273 38.487 0.022 0.000 1.024 422 N HN -0.025 nan 8.380 nan 0.000 0.501 423 S N -0.177 115.442 115.700 -0.136 0.000 2.573 423 S HA 0.291 4.760 4.470 -0.001 0.000 0.277 423 S C 0.143 174.578 174.600 -0.275 0.000 1.346 423 S CA -0.313 57.782 58.200 -0.176 0.000 1.034 423 S CB 1.142 64.251 63.200 -0.153 0.000 0.879 423 S HN 0.096 nan 8.310 nan 0.000 0.528 424 R N 0.647 120.989 120.500 -0.262 0.000 2.795 424 R HA 0.521 4.860 4.340 -0.001 0.000 0.275 424 R C -1.010 175.107 176.300 -0.305 0.000 0.981 424 R CA -0.684 55.096 56.100 -0.532 0.000 0.917 424 R CB 1.380 31.142 30.300 -0.896 0.000 1.202 424 R HN 0.789 nan 8.270 nan 0.000 0.469 425 F N -1.325 118.405 119.950 -0.367 0.000 2.458 425 F HA 0.677 5.203 4.527 -0.001 0.000 0.330 425 F C -0.124 175.504 175.800 -0.286 0.000 1.082 425 F CA -1.400 56.347 58.000 -0.422 0.000 0.995 425 F CB 1.187 39.902 39.000 -0.474 0.000 1.170 425 F HN 0.304 nan 8.300 nan 0.000 0.478 426 C N 3.644 122.946 119.300 0.003 0.000 2.407 426 C HA 0.906 5.365 4.460 -0.001 0.000 0.328 426 C C -0.490 174.540 174.990 0.067 0.000 1.137 426 C CA -0.039 59.051 59.018 0.119 0.000 1.390 426 C CB -0.855 26.967 27.740 0.136 0.000 1.989 426 C HN 1.176 nan 8.230 nan 0.000 0.432 427 A N 7.113 130.025 122.820 0.153 0.000 2.435 427 A HA 0.934 5.253 4.320 -0.001 0.000 0.304 427 A C -3.026 174.600 177.584 0.070 0.000 1.064 427 A CA -1.357 50.736 52.037 0.092 0.000 0.727 427 A CB 1.449 20.499 19.000 0.084 0.000 1.284 427 A HN 0.600 nan 8.150 nan 0.000 0.415 428 P HA 0.240 nan 4.420 nan 0.000 0.268 428 P C 0.759 178.008 177.300 -0.084 0.000 1.204 428 P CA 0.436 63.515 63.100 -0.035 0.000 0.768 428 P CB 1.071 32.773 31.700 0.003 0.000 0.842 429 A N 3.761 126.393 122.820 -0.314 0.000 2.015 429 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 429 A C 1.526 178.867 177.584 -0.405 0.000 1.163 429 A CA 1.675 53.352 52.037 -0.600 0.000 0.646 429 A CB -1.129 17.129 19.000 -1.237 0.000 0.806 429 A HN 0.599 nan 8.150 nan 0.000 0.448 430 D N -0.301 119.971 120.400 -0.214 0.000 2.378 430 D HA -0.149 4.490 4.640 -0.001 0.000 0.222 430 D C 1.438 177.728 176.300 -0.016 0.000 0.980 430 D CA 0.917 54.884 54.000 -0.055 0.000 0.907 430 D CB -0.556 40.348 40.800 0.173 0.000 0.899 430 D HN 0.611 nan 8.370 nan 0.000 0.527 431 Q N -0.670 119.123 119.800 -0.013 0.000 2.392 431 Q HA 0.099 4.438 4.340 -0.001 0.000 0.203 431 Q C 0.311 176.309 176.000 -0.004 0.000 0.917 431 Q CA -0.111 55.697 55.803 0.007 0.000 0.939 431 Q CB 0.430 29.177 28.738 0.014 0.000 1.063 431 Q HN 0.321 nan 8.270 nan 0.000 0.516 432 C N 2.381 121.682 119.300 0.002 0.000 2.566 432 C HA 0.181 4.640 4.460 -0.001 0.000 0.393 432 C C -1.228 173.742 174.990 -0.033 0.000 1.309 432 C CA -1.755 57.250 59.018 -0.021 0.000 1.801 432 C CB 0.390 28.144 27.740 0.023 0.000 2.493 432 C HN 0.275 nan 8.230 nan 0.000 0.575 433 P HA -0.079 nan 4.420 nan 0.000 0.221 433 P C 0.740 178.038 177.300 -0.003 0.000 1.145 433 P CA 1.415 64.504 63.100 -0.018 0.000 0.795 433 P CB -0.128 31.550 31.700 -0.036 0.000 0.775 434 I N -7.318 113.241 120.570 -0.017 0.000 3.927 434 I HA 0.259 4.428 4.170 -0.001 0.000 0.332 434 I C 0.127 176.304 176.117 0.100 0.000 1.485 434 I CA -0.505 60.798 61.300 0.004 0.000 1.131 434 I CB -0.370 37.578 38.000 -0.086 0.000 1.092 434 I HN -0.311 nan 8.210 nan 0.000 0.410 435 M N 2.480 122.111 119.600 0.051 0.000 2.290 435 M HA 0.007 4.486 4.480 -0.001 0.000 0.356 435 M C 0.112 176.550 176.300 0.231 0.000 1.448 435 M CA 0.518 55.826 55.300 0.013 0.000 0.993 435 M CB -0.798 31.621 32.600 -0.303 0.000 1.934 435 M HN 0.313 nan 8.290 nan 0.000 0.461 436 D N 5.298 125.879 120.400 0.302 0.000 2.472 436 D HA 0.055 4.694 4.640 -0.001 0.000 0.237 436 D C -1.538 174.934 176.300 0.287 0.000 1.141 436 D CA -0.844 53.319 54.000 0.271 0.000 0.875 436 D CB 0.967 41.981 40.800 0.357 0.000 1.192 436 D HN 0.333 nan 8.370 nan 0.000 0.450 437 P HA -0.116 nan 4.420 nan 0.000 0.220 437 P C 0.317 177.689 177.300 0.121 0.000 1.144 437 P CA 1.158 64.332 63.100 0.125 0.000 0.800 437 P CB 0.227 31.944 31.700 0.029 0.000 0.772 438 R N -1.210 119.374 120.500 0.141 0.000 2.468 438 R HA 0.098 4.437 4.340 -0.001 0.000 0.280 438 R C 1.757 178.085 176.300 0.046 0.000 0.963 438 R CA -0.196 55.935 56.100 0.052 0.000 1.083 438 R CB -0.453 29.870 30.300 0.038 0.000 1.200 438 R HN 0.420 nan 8.270 nan 0.000 0.541 439 W N 2.226 123.543 121.300 0.028 0.000 2.364 439 W HA -0.135 4.524 4.660 -0.001 0.000 0.281 439 W C -0.306 176.198 176.519 -0.025 0.000 1.219 439 W CA 1.367 58.725 57.345 0.021 0.000 1.220 439 W CB -0.129 29.364 29.460 0.055 0.000 1.127 439 W HN 0.015 nan 8.180 nan 0.000 0.556 440 D N -0.165 119.696 120.400 -0.898 0.000 2.571 440 D HA 0.015 4.654 4.640 -0.001 0.000 0.239 440 D C -0.330 175.695 176.300 -0.459 0.000 1.267 440 D CA -0.479 52.986 54.000 -0.892 0.000 0.823 440 D CB -0.906 39.021 40.800 -1.454 0.000 1.056 440 D HN -0.167 nan 8.370 nan 0.000 0.494 441 D N 2.255 122.478 120.400 -0.294 0.000 2.401 441 D HA 0.016 4.656 4.640 -0.001 0.000 0.254 441 D C -1.017 175.185 176.300 -0.163 0.000 1.192 441 D CA -1.517 52.372 54.000 -0.186 0.000 0.885 441 D CB 1.790 42.513 40.800 -0.128 0.000 1.147 441 D HN -0.015 nan 8.370 nan 0.000 0.478 442 P HA -0.163 nan 4.420 nan 0.000 0.219 442 P C 1.018 178.261 177.300 -0.095 0.000 1.146 442 P CA 0.886 63.916 63.100 -0.117 0.000 0.808 442 P CB 0.354 31.995 31.700 -0.099 0.000 0.779 443 E N 0.093 120.241 120.200 -0.087 0.000 2.358 443 E HA 0.120 4.469 4.350 -0.001 0.000 0.195 443 E C 0.818 177.370 176.600 -0.080 0.000 1.010 443 E CA 0.498 56.855 56.400 -0.073 0.000 0.856 443 E CB -0.309 29.356 29.700 -0.059 0.000 0.795 443 E HN 0.165 nan 8.360 nan 0.000 0.504 444 G N 0.161 108.900 108.800 -0.101 0.000 2.829 444 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.628 444 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.628 444 G C -0.257 174.544 174.900 -0.166 0.000 1.412 444 G CA -0.322 44.709 45.100 -0.114 0.000 0.864 444 G HN 0.650 nan 8.290 nan 0.000 0.544 445 V N -2.142 117.624 119.914 -0.248 0.000 2.581 445 V HA 0.890 5.009 4.120 -0.001 0.000 0.303 445 V C -2.064 173.871 176.094 -0.266 0.000 1.041 445 V CA -1.957 60.062 62.300 -0.470 0.000 0.907 445 V CB 2.191 33.308 31.823 -1.177 0.000 0.994 445 V HN 0.928 nan 8.190 nan 0.000 0.442 446 P HA 0.349 nan 4.420 nan 0.000 0.282 446 P C -0.797 176.576 177.300 0.120 0.000 1.262 446 P CA -0.054 63.062 63.100 0.027 0.000 0.773 446 P CB 0.990 32.739 31.700 0.080 0.000 0.879 447 I N 4.193 124.834 120.570 0.118 0.000 2.315 447 I HA 0.161 4.330 4.170 -0.001 0.000 0.291 447 I C 0.997 177.224 176.117 0.182 0.000 1.006 447 I CA 0.137 61.541 61.300 0.173 0.000 1.265 447 I CB 0.939 39.033 38.000 0.157 0.000 1.387 447 I HN 0.306 nan 8.210 nan 0.000 0.475 448 D N 4.687 125.197 120.400 0.185 0.000 2.441 448 D HA 0.310 4.950 4.640 -0.001 0.000 0.210 448 D C 0.405 176.822 176.300 0.195 0.000 1.102 448 D CA 0.404 54.500 54.000 0.160 0.000 0.840 448 D CB 1.547 42.400 40.800 0.088 0.000 0.990 448 D HN 0.587 nan 8.370 nan 0.000 0.505 449 A N 0.618 123.564 122.820 0.210 0.000 2.520 449 A HA 0.667 4.986 4.320 -0.001 0.000 0.298 449 A C -1.228 176.478 177.584 0.203 0.000 1.051 449 A CA -0.524 51.667 52.037 0.258 0.000 0.690 449 A CB 1.428 20.530 19.000 0.171 0.000 1.281 449 A HN 0.015 nan 8.150 nan 0.000 0.402 450 I N 2.298 122.976 120.570 0.180 0.000 2.465 450 I HA 0.462 4.631 4.170 -0.001 0.000 0.291 450 I C -0.966 174.993 176.117 -0.263 0.000 1.014 450 I CA -0.438 60.848 61.300 -0.025 0.000 1.093 450 I CB 1.902 39.899 38.000 -0.005 0.000 1.267 450 I HN 0.519 nan 8.210 nan 0.000 0.431 451 I N 5.889 126.242 120.570 -0.362 0.000 2.406 451 I HA 0.378 4.548 4.170 -0.001 0.000 0.290 451 I C -0.983 174.721 176.117 -0.688 0.000 0.999 451 I CA -0.499 60.566 61.300 -0.390 0.000 1.124 451 I CB 1.386 39.296 38.000 -0.151 0.000 1.289 451 I HN 0.265 nan 8.210 nan 0.000 0.441 452 F N 3.600 123.324 119.950 -0.376 0.000 2.421 452 F HA 0.697 5.224 4.527 -0.001 0.000 0.337 452 F C 0.896 176.086 175.800 -1.016 0.000 1.105 452 F CA -0.767 56.876 58.000 -0.596 0.000 1.049 452 F CB 1.579 40.311 39.000 -0.447 0.000 1.139 452 F HN 0.374 nan 8.300 nan 0.000 0.479 453 G N 0.066 108.236 108.800 -1.050 0.000 2.473 453 G HA2 0.715 4.674 3.960 -0.001 0.000 0.321 453 G HA3 0.715 4.674 3.960 -0.001 0.000 0.321 453 G C -0.821 173.663 174.900 -0.693 0.000 1.200 453 G CA -0.797 43.499 45.100 -1.340 0.000 0.963 453 G HN 0.966 nan 8.290 nan 0.000 0.483 454 G N -0.835 107.699 108.800 -0.444 0.000 2.645 454 G HA2 0.621 4.580 3.960 -0.001 0.000 0.292 454 G HA3 0.621 4.580 3.960 -0.001 0.000 0.292 454 G C -1.490 173.417 174.900 0.012 0.000 1.415 454 G CA -0.901 44.129 45.100 -0.118 0.000 0.785 454 G HN 0.674 nan 8.290 nan 0.000 0.483 455 R N 0.572 121.070 120.500 -0.003 0.000 2.521 455 R HA 0.516 4.856 4.340 -0.001 0.000 0.295 455 R C -0.998 175.300 176.300 -0.003 0.000 1.183 455 R CA -0.698 55.396 56.100 -0.010 0.000 0.957 455 R CB 0.661 30.748 30.300 -0.354 0.000 1.171 455 R HN 0.414 nan 8.270 nan 0.000 0.494 456 R N 4.654 125.195 120.500 0.069 0.000 2.574 456 R HA 0.290 4.629 4.340 -0.001 0.000 0.288 456 R C -2.284 174.044 176.300 0.047 0.000 1.004 456 R CA -2.136 53.975 56.100 0.017 0.000 0.895 456 R CB 1.920 32.196 30.300 -0.040 0.000 1.191 456 R HN 0.421 nan 8.270 nan 0.000 0.444 457 P HA -0.058 nan 4.420 nan 0.000 0.223 457 P C -0.205 177.072 177.300 -0.040 0.000 1.151 457 P CA 0.950 64.081 63.100 0.052 0.000 0.787 457 P CB 0.700 32.418 31.700 0.031 0.000 0.788 458 R N -2.324 118.090 120.500 -0.143 0.000 2.774 458 R HA 0.482 4.821 4.340 -0.001 0.000 0.272 458 R C 1.058 176.939 176.300 -0.698 0.000 1.000 458 R CA -0.021 55.903 56.100 -0.294 0.000 0.906 458 R CB 0.898 31.070 30.300 -0.213 0.000 1.227 458 R HN 0.151 nan 8.270 nan 0.000 0.468 459 G N 0.061 108.333 108.800 -0.880 0.000 2.498 459 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.229 459 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.229 459 G C -0.233 174.067 174.900 -1.000 0.000 1.156 459 G CA 0.254 44.351 45.100 -1.670 0.000 0.680 459 G HN 0.388 nan 8.290 nan 0.000 0.512 460 V N 4.081 123.593 119.914 -0.671 0.000 2.385 460 V HA 0.455 4.574 4.120 -0.001 0.000 0.269 460 V C -1.482 174.533 176.094 -0.132 0.000 1.043 460 V CA -1.215 60.976 62.300 -0.181 0.000 0.906 460 V CB 1.332 33.104 31.823 -0.085 0.000 0.995 460 V HN 0.224 nan 8.190 nan 0.000 0.467 461 P HA 0.048 nan 4.420 nan 0.000 0.271 461 P C 0.866 177.965 177.300 -0.335 0.000 1.233 461 P CA -0.359 62.604 63.100 -0.227 0.000 0.789 461 P CB 0.646 32.326 31.700 -0.033 0.000 0.951 462 L N 3.016 123.826 121.223 -0.689 0.000 1.997 462 L HA -0.096 4.244 4.340 -0.001 0.000 0.216 462 L C 0.555 177.194 176.870 -0.384 0.000 1.074 462 L CA 2.197 56.643 54.840 -0.656 0.000 0.763 462 L CB -0.288 41.156 42.059 -1.026 0.000 0.890 462 L HN 0.217 nan 8.230 nan 0.000 0.434 463 V N -0.912 118.891 119.914 -0.185 0.000 2.932 463 V HA 0.594 4.713 4.120 -0.001 0.000 0.307 463 V C -1.488 174.730 176.094 0.206 0.000 1.147 463 V CA -0.481 61.849 62.300 0.051 0.000 0.951 463 V CB 2.071 33.951 31.823 0.096 0.000 1.031 463 V HN -0.127 nan 8.190 nan 0.000 0.426 464 V N 5.517 125.590 119.914 0.265 0.000 2.841 464 V HA 0.664 4.784 4.120 -0.001 0.000 0.310 464 V C -0.715 175.572 176.094 0.322 0.000 1.090 464 V CA -0.278 62.175 62.300 0.255 0.000 0.930 464 V CB 2.078 33.968 31.823 0.111 0.000 1.014 464 V HN 1.074 nan 8.190 nan 0.000 0.425 465 E N 4.437 124.816 120.200 0.298 0.000 2.179 465 E HA 0.751 5.100 4.350 -0.001 0.000 0.275 465 E C -0.156 176.380 176.600 -0.107 0.000 0.945 465 E CA -0.504 55.883 56.400 -0.022 0.000 0.792 465 E CB 1.929 31.651 29.700 0.036 0.000 1.125 465 E HN 1.031 nan 8.360 nan 0.000 0.397 466 A N 3.405 126.084 122.820 -0.234 0.000 2.425 466 A HA 0.110 4.429 4.320 -0.001 0.000 0.242 466 A C 0.074 177.736 177.584 0.131 0.000 1.077 466 A CA -0.136 51.800 52.037 -0.167 0.000 0.781 466 A CB 0.031 18.913 19.000 -0.195 0.000 1.020 466 A HN 0.737 nan 8.150 nan 0.000 0.494 467 F N 0.877 121.085 119.950 0.429 0.000 2.661 467 F HA 0.302 4.828 4.527 -0.001 0.000 0.298 467 F C 1.574 177.524 175.800 0.251 0.000 1.137 467 F CA 0.914 59.056 58.000 0.237 0.000 1.454 467 F CB -0.400 38.588 39.000 -0.019 0.000 1.103 467 F HN 0.812 nan 8.300 nan 0.000 0.577 468 G N -2.846 106.206 108.800 0.420 0.000 2.342 468 G HA2 0.031 3.990 3.960 -0.001 0.000 0.297 468 G HA3 0.031 3.990 3.960 -0.001 0.000 0.297 468 G C -0.288 174.825 174.900 0.356 0.000 1.313 468 G CA -0.448 44.865 45.100 0.355 0.000 0.830 468 G HN 0.084 nan 8.290 nan 0.000 0.506 469 W N 0.427 121.846 121.300 0.200 0.000 2.354 469 W HA -0.088 4.572 4.660 -0.001 0.000 0.315 469 W C 2.320 178.984 176.519 0.242 0.000 1.206 469 W CA 1.718 59.194 57.345 0.219 0.000 1.290 469 W CB 0.099 29.677 29.460 0.197 0.000 1.152 469 W HN 0.620 nan 8.180 nan 0.000 0.489 470 R N -1.066 119.631 120.500 0.327 0.000 2.096 470 R HA -0.201 4.138 4.340 -0.001 0.000 0.235 470 R C 2.483 178.896 176.300 0.189 0.000 1.127 470 R CA 1.765 57.993 56.100 0.214 0.000 0.968 470 R CB -1.151 29.279 30.300 0.217 0.000 0.861 470 R HN 0.377 nan 8.270 nan 0.000 0.440 471 H N -0.384 118.754 119.070 0.113 0.000 2.353 471 H HA -0.095 4.460 4.556 -0.001 0.000 0.300 471 H C 1.971 177.369 175.328 0.116 0.000 1.090 471 H CA 1.297 57.419 56.048 0.123 0.000 1.327 471 H CB 0.047 29.886 29.762 0.127 0.000 1.383 471 H HN 0.323 nan 8.280 nan 0.000 0.508 472 G N 0.144 108.909 108.800 -0.057 0.000 2.422 472 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.218 472 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.218 472 G C 1.836 176.617 174.900 -0.197 0.000 1.146 472 G CA 0.856 45.863 45.100 -0.155 0.000 0.769 472 G HN 0.332 nan 8.290 nan 0.000 0.547 473 V N 0.535 120.330 119.914 -0.198 0.000 2.407 473 V HA -0.131 3.989 4.120 -0.001 0.000 0.248 473 V C 2.309 178.353 176.094 -0.083 0.000 1.055 473 V CA 1.756 63.989 62.300 -0.111 0.000 1.049 473 V CB -0.616 31.203 31.823 -0.005 0.000 0.662 473 V HN 0.420 nan 8.190 nan 0.000 0.455 474 F N 0.532 120.401 119.950 -0.135 0.000 2.095 474 F HA -0.245 4.281 4.527 -0.001 0.000 0.298 474 F C 2.303 177.989 175.800 -0.190 0.000 1.104 474 F CA 2.003 59.946 58.000 -0.095 0.000 1.232 474 F CB -0.312 38.693 39.000 0.009 0.000 0.987 474 F HN 0.058 nan 8.300 nan 0.000 0.475 475 M N 0.232 119.523 119.600 -0.514 0.000 2.108 475 M HA -0.148 4.331 4.480 -0.001 0.000 0.261 475 M C 2.503 178.270 176.300 -0.889 0.000 1.066 475 M CA 1.818 56.717 55.300 -0.669 0.000 1.107 475 M CB -1.325 31.050 32.600 -0.376 0.000 1.356 475 M HN 0.378 nan 8.290 nan 0.000 0.406 476 G N 0.001 107.933 108.800 -1.447 0.000 2.418 476 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.217 476 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.217 476 G C 1.603 175.868 174.900 -1.058 0.000 1.158 476 G CA 1.255 44.911 45.100 -2.406 0.000 0.771 476 G HN 0.569 nan 8.290 nan 0.000 0.545 477 S N 0.660 116.096 115.700 -0.440 0.000 2.442 477 S HA 0.251 4.721 4.470 -0.001 0.000 0.236 477 S C 2.184 176.772 174.600 -0.020 0.000 1.007 477 S CA 1.322 59.531 58.200 0.014 0.000 0.965 477 S CB -0.157 63.083 63.200 0.066 0.000 0.773 477 S HN 0.593 nan 8.310 nan 0.000 0.504 478 A N 0.660 123.284 122.820 -0.326 0.000 2.308 478 A HA 0.527 4.847 4.320 -0.001 0.000 0.217 478 A C 0.800 178.221 177.584 -0.272 0.000 1.216 478 A CA -0.496 51.348 52.037 -0.321 0.000 0.864 478 A CB -0.526 18.091 19.000 -0.637 0.000 0.902 478 A HN 0.575 nan 8.150 nan 0.000 0.499 479 M N 1.401 120.848 119.600 -0.256 0.000 2.250 479 M HA 0.111 4.590 4.480 -0.001 0.000 0.337 479 M C 0.295 176.483 176.300 -0.187 0.000 1.161 479 M CA 0.623 55.818 55.300 -0.175 0.000 1.088 479 M CB 0.330 32.826 32.600 -0.173 0.000 1.639 479 M HN 0.219 nan 8.290 nan 0.000 0.447 480 R N 1.274 121.664 120.500 -0.183 0.000 2.873 480 R HA 0.762 5.101 4.340 -0.001 0.000 0.264 480 R C -0.545 175.659 176.300 -0.160 0.000 1.026 480 R CA -0.681 55.261 56.100 -0.264 0.000 1.002 480 R CB 1.758 31.868 30.300 -0.318 0.000 1.174 480 R HN 0.895 nan 8.270 nan 0.000 0.488 495 M N 3.535 123.036 119.600 -0.165 0.000 2.228 495 M HA 0.333 4.812 4.480 -0.001 0.000 0.326 495 M C -0.468 175.649 176.300 -0.304 0.000 1.122 495 M CA -0.358 54.858 55.300 -0.139 0.000 1.161 495 M CB 0.751 33.315 32.600 -0.059 0.000 1.437 495 M HN 0.487 nan 8.290 nan 0.000 0.465 496 H N 0.991 119.911 119.070 -0.249 0.000 2.458 496 H HA 0.219 4.774 4.556 -0.001 0.000 0.330 496 H C -1.021 174.214 175.328 -0.156 0.000 1.111 496 H CA -0.305 55.512 56.048 -0.384 0.000 1.245 496 H CB 1.354 30.478 29.762 -1.063 0.000 1.456 496 H HN 0.462 nan 8.280 nan 0.000 0.488 497 D N 4.093 124.489 120.400 -0.006 0.000 2.621 497 D HA 0.157 4.796 4.640 -0.001 0.000 0.274 497 D C -2.669 173.694 176.300 0.104 0.000 1.215 497 D CA -1.886 52.153 54.000 0.064 0.000 0.810 497 D CB 0.947 41.761 40.800 0.023 0.000 1.248 497 D HN 0.239 nan 8.370 nan 0.000 0.517 498 P HA 0.032 nan 4.420 nan 0.000 0.262 498 P C 0.187 177.712 177.300 0.375 0.000 1.199 498 P CA -0.051 63.238 63.100 0.316 0.000 0.763 498 P CB 0.057 32.109 31.700 0.587 0.000 0.790 499 F N 1.818 121.733 119.950 -0.060 0.000 3.048 499 F HA -0.299 4.227 4.527 -0.001 0.000 0.287 499 F C 1.471 177.334 175.800 0.105 0.000 0.796 499 F CA 1.111 59.110 58.000 -0.002 0.000 1.111 499 F CB -2.566 36.505 39.000 0.119 0.000 1.320 499 F HN 0.590 nan 8.300 nan 0.000 0.430 500 A N -1.590 121.342 122.820 0.186 0.000 2.816 500 A HA -0.312 4.007 4.320 -0.001 0.000 0.270 500 A C 1.432 179.221 177.584 0.341 0.000 1.413 500 A CA 1.695 53.882 52.037 0.250 0.000 0.866 500 A CB -1.394 17.744 19.000 0.229 0.000 1.032 500 A HN 0.417 nan 8.150 nan 0.000 0.642 501 M N -1.407 118.233 119.600 0.068 0.000 2.371 501 M HA 0.117 4.596 4.480 -0.001 0.000 0.246 501 M C 1.699 177.540 176.300 -0.765 0.000 1.103 501 M CA 0.664 55.759 55.300 -0.341 0.000 1.010 501 M CB -0.550 31.523 32.600 -0.879 0.000 1.457 501 M HN 0.658 nan 8.290 nan 0.000 0.486 502 R N 1.881 122.182 120.500 -0.332 0.000 2.096 502 R HA -0.157 4.182 4.340 -0.001 0.000 0.240 502 R C -1.054 175.065 176.300 -0.301 0.000 1.139 502 R CA 1.851 57.860 56.100 -0.152 0.000 0.952 502 R CB -1.020 29.292 30.300 0.021 0.000 0.854 502 R HN 0.172 nan 8.270 nan 0.000 0.436 503 P HA 0.023 nan 4.420 nan 0.000 0.245 503 P C -0.237 176.547 177.300 -0.860 0.000 1.212 503 P CA 0.851 63.469 63.100 -0.803 0.000 0.774 503 P CB 0.150 31.157 31.700 -1.156 0.000 0.999 504 F N -3.021 116.764 119.950 -0.274 0.000 2.772 504 F HA 0.323 4.850 4.527 -0.001 0.000 0.316 504 F C 0.542 176.170 175.800 -0.287 0.000 1.114 504 F CA -1.101 56.742 58.000 -0.263 0.000 1.191 504 F CB -0.614 38.227 39.000 -0.265 0.000 1.065 504 F HN -0.303 nan 8.300 nan 0.000 0.534 505 F N 0.755 120.664 119.950 -0.070 0.000 2.572 505 F HA 0.384 4.911 4.527 -0.001 0.000 0.370 505 F C 1.619 177.362 175.800 -0.095 0.000 1.103 505 F CA 0.067 57.967 58.000 -0.167 0.000 1.286 505 F CB 0.586 39.422 39.000 -0.273 0.000 1.105 505 F HN 0.101 nan 8.300 nan 0.000 0.583 506 G N 2.140 111.051 108.800 0.185 0.000 3.159 506 G HA2 0.242 4.201 3.960 -0.001 0.000 0.232 506 G HA3 0.242 4.201 3.960 -0.001 0.000 0.232 506 G C -0.740 174.345 174.900 0.310 0.000 1.116 506 G CA 0.222 45.445 45.100 0.204 0.000 0.767 506 G HN 0.643 nan 8.290 nan 0.000 0.547 507 Y N -2.670 117.685 120.300 0.092 0.000 2.750 507 Y HA 0.483 5.032 4.550 -0.001 0.000 0.335 507 Y C -0.737 175.158 175.900 -0.010 0.000 1.252 507 Y CA -2.285 55.838 58.100 0.039 0.000 1.064 507 Y CB 0.124 38.596 38.460 0.020 0.000 1.321 507 Y HN -0.146 nan 8.280 nan 0.000 0.451 508 N N 1.104 119.804 118.700 -0.001 0.000 2.236 508 N HA -0.055 4.684 4.740 -0.001 0.000 0.274 508 N C 1.052 176.336 175.510 -0.378 0.000 1.339 508 N CA 1.053 54.008 53.050 -0.159 0.000 0.845 508 N CB 1.430 39.902 38.487 -0.025 0.000 1.091 508 N HN 0.994 nan 8.380 nan 0.000 0.489 509 A N 4.183 126.633 122.820 -0.617 0.000 1.978 509 A HA -0.093 4.226 4.320 -0.001 0.000 0.220 509 A C 2.037 179.543 177.584 -0.131 0.000 1.170 509 A CA 1.801 53.296 52.037 -0.903 0.000 0.636 509 A CB -0.846 17.297 19.000 -1.428 0.000 0.810 509 A HN 0.754 nan 8.150 nan 0.000 0.448 510 G N -0.586 108.255 108.800 0.068 0.000 2.422 510 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.218 510 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.218 510 G C 1.738 176.716 174.900 0.131 0.000 1.146 510 G CA 0.821 46.068 45.100 0.245 0.000 0.769 510 G HN 0.591 nan 8.290 nan 0.000 0.547 511 R N -1.183 119.383 120.500 0.110 0.000 2.193 511 R HA 0.049 4.388 4.340 -0.001 0.000 0.213 511 R C 2.187 178.698 176.300 0.351 0.000 1.055 511 R CA 0.710 56.940 56.100 0.216 0.000 0.995 511 R CB -0.348 30.119 30.300 0.278 0.000 0.893 511 R HN 0.544 nan 8.270 nan 0.000 0.459 512 Y N 1.484 121.810 120.300 0.042 0.000 2.200 512 Y HA -0.125 4.424 4.550 -0.001 0.000 0.290 512 Y C 1.797 177.840 175.900 0.237 0.000 1.137 512 Y CA 1.315 59.483 58.100 0.113 0.000 1.163 512 Y CB -0.165 38.169 38.460 -0.210 0.000 0.988 512 Y HN -0.091 nan 8.280 nan 0.000 0.518 513 L N 0.176 121.518 121.223 0.198 0.000 2.083 513 L HA -0.176 4.163 4.340 -0.001 0.000 0.209 513 L C 2.490 179.429 176.870 0.115 0.000 1.083 513 L CA 1.734 56.613 54.840 0.066 0.000 0.752 513 L CB -0.582 41.493 42.059 0.026 0.000 0.899 513 L HN 0.223 nan 8.230 nan 0.000 0.433 514 E N -0.069 120.215 120.200 0.140 0.000 2.077 514 E HA -0.290 4.060 4.350 -0.001 0.000 0.193 514 E C 2.069 178.778 176.600 0.183 0.000 0.989 514 E CA 1.551 58.038 56.400 0.145 0.000 0.800 514 E CB -0.148 29.630 29.700 0.130 0.000 0.746 514 E HN 0.446 nan 8.360 nan 0.000 0.452 515 H N -1.332 117.799 119.070 0.102 0.000 2.352 515 H HA -0.123 4.432 4.556 -0.001 0.000 0.299 515 H C 1.546 176.888 175.328 0.023 0.000 1.097 515 H CA 2.256 58.329 56.048 0.041 0.000 1.311 515 H CB -0.546 29.238 29.762 0.036 0.000 1.377 515 H HN 0.245 nan 8.280 nan 0.000 0.504 516 W N 0.491 121.695 121.300 -0.160 0.000 2.358 516 W HA -0.131 4.528 4.660 -0.001 0.000 0.303 516 W C 2.436 179.124 176.519 0.281 0.000 1.208 516 W CA 1.458 58.776 57.345 -0.046 0.000 1.274 516 W CB -0.406 28.921 29.460 -0.222 0.000 1.138 516 W HN 0.199 nan 8.180 nan 0.000 0.515 517 L N -0.864 120.608 121.223 0.415 0.000 2.046 517 L HA -0.255 4.084 4.340 -0.001 0.000 0.208 517 L C 2.645 179.677 176.870 0.270 0.000 1.077 517 L CA 1.616 56.705 54.840 0.414 0.000 0.747 517 L CB -1.355 40.852 42.059 0.247 0.000 0.896 517 L HN -0.083 nan 8.230 nan 0.000 0.432 518 S N -0.737 115.039 115.700 0.127 0.000 2.382 518 S HA -0.201 4.268 4.470 -0.001 0.000 0.228 518 S C 1.997 176.566 174.600 -0.052 0.000 1.027 518 S CA 2.017 60.235 58.200 0.030 0.000 0.991 518 S CB -0.265 62.951 63.200 0.028 0.000 0.823 518 S HN 0.433 nan 8.310 nan 0.000 0.469 519 T N 0.847 115.336 114.554 -0.109 0.000 2.759 519 T HA -0.053 4.296 4.350 -0.001 0.000 0.269 519 T C 1.771 176.316 174.700 -0.258 0.000 1.042 519 T CA 1.376 63.385 62.100 -0.153 0.000 1.140 519 T CB -0.906 67.811 68.868 -0.252 0.000 0.864 519 T HN 0.583 nan 8.240 nan 0.000 0.455 520 G N 0.720 109.275 108.800 -0.409 0.000 2.598 520 G HA2 0.013 3.972 3.960 -0.001 0.000 0.215 520 G HA3 0.013 3.972 3.960 -0.001 0.000 0.215 520 G C 1.223 175.829 174.900 -0.490 0.000 1.131 520 G CA 0.135 44.613 45.100 -1.037 0.000 0.785 520 G HN 0.474 nan 8.290 nan 0.000 0.539 521 L N -0.063 121.006 121.223 -0.258 0.000 2.591 521 L HA 0.251 4.590 4.340 -0.001 0.000 0.228 521 L C 1.388 178.136 176.870 -0.204 0.000 1.133 521 L CA -0.612 54.125 54.840 -0.171 0.000 0.880 521 L CB -0.062 41.950 42.059 -0.078 0.000 1.033 521 L HN 0.032 nan 8.230 nan 0.000 0.450 522 R N 2.309 122.634 120.500 -0.292 0.000 2.480 522 R HA -0.025 4.314 4.340 -0.001 0.000 0.303 522 R C 0.399 176.510 176.300 -0.315 0.000 0.985 522 R CA 0.053 55.959 56.100 -0.323 0.000 1.051 522 R CB 0.156 30.146 30.300 -0.516 0.000 0.935 522 R HN 0.243 nan 8.270 nan 0.000 0.410 523 S N 4.793 120.365 115.700 -0.214 0.000 2.537 523 S HA 0.061 4.531 4.470 -0.001 0.000 0.286 523 S C 0.042 174.521 174.600 -0.201 0.000 1.299 523 S CA -0.077 58.020 58.200 -0.172 0.000 1.067 523 S CB 0.359 63.491 63.200 -0.113 0.000 0.864 523 S HN 0.838 nan 8.310 nan 0.000 0.494 524 N N -0.518 118.075 118.700 -0.177 0.000 2.778 524 N HA -0.181 4.558 4.740 -0.001 0.000 0.249 524 N C 0.246 175.625 175.510 -0.219 0.000 1.069 524 N CA 1.138 54.093 53.050 -0.159 0.000 0.831 524 N CB -1.941 36.480 38.487 -0.111 0.000 1.142 524 N HN 1.110 nan 8.380 nan 0.000 0.573 525 A N 0.782 123.378 122.820 -0.373 0.000 2.540 525 A HA 0.220 4.539 4.320 -0.001 0.000 0.239 525 A C 0.810 178.239 177.584 -0.258 0.000 1.061 525 A CA 0.282 51.984 52.037 -0.557 0.000 0.758 525 A CB 0.187 18.537 19.000 -1.083 0.000 0.991 525 A HN 0.261 nan 8.150 nan 0.000 0.502 526 R N 2.599 123.047 120.500 -0.088 0.000 2.870 526 R HA 0.259 4.598 4.340 -0.001 0.000 0.254 526 R C -0.855 175.529 176.300 0.139 0.000 1.392 526 R CA -0.116 56.005 56.100 0.035 0.000 1.322 526 R CB -0.029 30.314 30.300 0.071 0.000 1.205 526 R HN 0.668 nan 8.270 nan 0.000 0.597 527 L N 4.382 125.652 121.223 0.079 0.000 2.455 527 L HA 0.167 4.506 4.340 -0.001 0.000 0.272 527 L C -1.511 175.536 176.870 0.294 0.000 1.174 527 L CA -1.707 53.230 54.840 0.161 0.000 0.869 527 L CB 0.011 42.059 42.059 -0.019 0.000 1.130 527 L HN 0.196 nan 8.230 nan 0.000 0.474 528 P HA 0.110 nan 4.420 nan 0.000 0.269 528 P C -0.664 176.874 177.300 0.396 0.000 1.215 528 P CA -0.268 63.051 63.100 0.366 0.000 0.780 528 P CB 0.535 32.458 31.700 0.371 0.000 0.898 529 R N 1.064 121.743 120.500 0.299 0.000 2.539 529 R HA 0.410 4.749 4.340 -0.001 0.000 0.275 529 R C -0.036 176.336 176.300 0.120 0.000 1.077 529 R CA -0.469 55.737 56.100 0.177 0.000 1.097 529 R CB 0.145 30.525 30.300 0.133 0.000 1.018 529 R HN 0.463 nan 8.270 nan 0.000 0.483 530 L N 3.366 124.482 121.223 -0.179 0.000 2.329 530 L HA 0.558 4.897 4.340 -0.001 0.000 0.279 530 L C -0.764 175.830 176.870 -0.460 0.000 1.014 530 L CA -0.542 54.188 54.840 -0.183 0.000 0.814 530 L CB 0.958 42.959 42.059 -0.096 0.000 1.257 530 L HN 0.461 nan 8.230 nan 0.000 0.424 531 F N 0.441 120.329 119.950 -0.103 0.000 2.613 531 F HA 0.503 5.029 4.527 -0.001 0.000 0.314 531 F C -0.121 175.663 175.800 -0.026 0.000 1.075 531 F CA -0.756 57.236 58.000 -0.013 0.000 0.945 531 F CB 1.821 40.831 39.000 0.017 0.000 1.310 531 F HN 0.391 nan 8.300 nan 0.000 0.467 532 H N 1.480 120.618 119.070 0.113 0.000 2.589 532 H HA 0.711 5.266 4.556 -0.001 0.000 0.351 532 H C -1.687 173.579 175.328 -0.104 0.000 1.074 532 H CA -0.637 55.397 56.048 -0.024 0.000 1.203 532 H CB 1.944 31.682 29.762 -0.039 0.000 1.558 532 H HN 0.572 nan 8.280 nan 0.000 0.522 533 V N 2.937 122.496 119.914 -0.592 0.000 2.864 533 V HA 0.540 4.659 4.120 -0.001 0.000 0.314 533 V C -0.546 175.112 176.094 -0.727 0.000 1.073 533 V CA -0.986 60.942 62.300 -0.619 0.000 0.956 533 V CB 1.920 33.193 31.823 -0.917 0.000 1.023 533 V HN 0.780 nan 8.190 nan 0.000 0.435 534 N N 1.891 120.241 118.700 -0.583 0.000 2.558 534 N HA 0.406 5.145 4.740 -0.001 0.000 0.285 534 N C -0.395 174.906 175.510 -0.349 0.000 1.112 534 N CA -0.738 52.082 53.050 -0.383 0.000 0.857 534 N CB 1.185 39.597 38.487 -0.125 0.000 1.376 534 N HN 0.896 nan 8.380 nan 0.000 0.526 535 W N 2.134 123.242 121.300 -0.319 0.000 2.937 535 W HA 0.199 4.858 4.660 -0.001 0.000 0.245 535 W C 0.076 176.097 176.519 -0.829 0.000 1.306 535 W CA -0.359 56.553 57.345 -0.720 0.000 1.470 535 W CB 0.120 28.862 29.460 -1.196 0.000 1.132 535 W HN 0.431 nan 8.180 nan 0.000 0.675 536 F N 0.144 120.093 119.950 -0.003 0.000 2.735 536 F HA 0.297 4.823 4.527 -0.001 0.000 0.304 536 F C 0.698 176.607 175.800 0.183 0.000 1.119 536 F CA -0.679 57.305 58.000 -0.027 0.000 1.280 536 F CB -0.580 38.414 39.000 -0.010 0.000 0.994 536 F HN -0.369 nan 8.300 nan 0.000 0.520 537 L N 2.361 123.698 121.223 0.189 0.000 2.514 537 L HA 0.159 4.498 4.340 -0.001 0.000 0.280 537 L C 0.665 177.690 176.870 0.257 0.000 1.223 537 L CA 0.162 55.082 54.840 0.134 0.000 0.864 537 L CB 0.394 42.441 42.059 -0.020 0.000 1.118 537 L HN 0.297 nan 8.230 nan 0.000 0.494 538 R N 0.430 121.018 120.500 0.146 0.000 2.778 538 R HA 0.552 4.891 4.340 -0.001 0.000 0.277 538 R C -1.175 175.142 176.300 0.029 0.000 0.977 538 R CA -1.057 55.098 56.100 0.090 0.000 0.950 538 R CB 1.513 31.822 30.300 0.015 0.000 1.165 538 R HN 0.570 nan 8.270 nan 0.000 0.474 539 D N 0.257 120.666 120.400 0.014 0.000 2.478 539 D HA 0.067 4.706 4.640 -0.001 0.000 0.263 539 D C 0.123 176.416 176.300 -0.012 0.000 1.153 539 D CA -0.805 53.197 54.000 0.004 0.000 1.038 539 D CB 0.305 41.113 40.800 0.014 0.000 1.120 539 D HN 0.659 nan 8.370 nan 0.000 0.564 540 N N -0.614 118.081 118.700 -0.009 0.000 2.258 540 N HA -0.166 4.573 4.740 -0.001 0.000 0.187 540 N C 0.709 176.208 175.510 -0.018 0.000 1.012 540 N CA 0.888 53.931 53.050 -0.012 0.000 0.870 540 N CB 0.084 38.567 38.487 -0.005 0.000 0.977 540 N HN 0.535 nan 8.380 nan 0.000 0.434 541 E N -0.444 119.743 120.200 -0.021 0.000 2.479 541 E HA 0.080 4.430 4.350 -0.001 0.000 0.193 541 E C 0.899 177.470 176.600 -0.048 0.000 1.049 541 E CA -0.003 56.380 56.400 -0.029 0.000 0.870 541 E CB 0.479 30.165 29.700 -0.024 0.000 0.944 541 E HN 0.389 nan 8.360 nan 0.000 0.492 542 G N 2.350 111.114 108.800 -0.059 0.000 2.143 542 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.249 542 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.249 542 G C 0.153 174.950 174.900 -0.171 0.000 0.981 542 G CA -0.045 44.996 45.100 -0.098 0.000 0.665 542 G HN 0.117 nan 8.290 nan 0.000 0.528 543 R N -0.806 119.614 120.500 -0.132 0.000 2.536 543 R HA 0.595 4.934 4.340 -0.001 0.000 0.279 543 R C -0.013 176.222 176.300 -0.108 0.000 1.001 543 R CA -0.825 55.174 56.100 -0.169 0.000 1.027 543 R CB 0.613 30.875 30.300 -0.063 0.000 1.096 543 R HN 0.049 nan 8.270 nan 0.000 0.502 544 F N 0.536 120.521 119.950 0.058 0.000 2.529 544 F HA -0.041 4.486 4.527 -0.001 0.000 0.365 544 F C 1.709 177.541 175.800 0.054 0.000 1.102 544 F CA -0.163 57.880 58.000 0.071 0.000 1.271 544 F CB 0.314 39.367 39.000 0.088 0.000 1.120 544 F HN 0.235 nan 8.300 nan 0.000 0.579 545 V N 2.816 122.898 119.914 0.280 0.000 2.719 545 V HA -0.181 3.938 4.120 -0.001 0.000 0.252 545 V C 0.399 176.634 176.094 0.234 0.000 1.065 545 V CA 0.823 63.232 62.300 0.181 0.000 1.086 545 V CB -0.413 31.477 31.823 0.112 0.000 0.700 545 V HN 0.691 nan 8.190 nan 0.000 0.467 546 W N 2.215 123.518 121.300 0.005 0.000 2.475 546 W HA 0.342 5.001 4.660 -0.001 0.000 0.317 546 W C -2.031 174.444 176.519 -0.074 0.000 1.046 546 W CA -2.098 55.201 57.345 -0.075 0.000 1.215 546 W CB 2.362 31.742 29.460 -0.133 0.000 1.335 546 W HN 0.108 nan 8.180 nan 0.000 0.471 547 P HA -0.002 nan 4.420 nan 0.000 0.223 547 P C 0.982 178.051 177.300 -0.386 0.000 1.151 547 P CA 1.708 64.561 63.100 -0.412 0.000 0.787 547 P CB 0.448 31.878 31.700 -0.450 0.000 0.788 548 G N -0.615 107.689 108.800 -0.826 0.000 2.601 548 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.252 548 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.252 548 G C 0.043 174.726 174.900 -0.363 0.000 1.294 548 G CA -0.186 44.558 45.100 -0.592 0.000 0.912 548 G HN 0.166 nan 8.290 nan 0.000 0.574 549 F N -1.917 117.765 119.950 -0.447 0.000 2.216 549 F HA -0.284 4.242 4.527 -0.001 0.000 0.313 549 F C 2.718 178.291 175.800 -0.379 0.000 1.030 549 F CA 2.857 60.640 58.000 -0.362 0.000 0.956 549 F CB -1.668 37.172 39.000 -0.267 0.000 4.025 549 F HN 1.679 nan 8.300 nan 0.000 0.164 550 G N -0.944 107.778 108.800 -0.131 0.000 2.485 550 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.221 550 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.221 550 G C 1.075 175.766 174.900 -0.348 0.000 1.115 550 G CA 1.382 46.318 45.100 -0.273 0.000 0.751 550 G HN 0.713 nan 8.290 nan 0.000 0.567 551 H N 0.585 119.513 119.070 -0.236 0.000 2.524 551 H HA 0.009 4.564 4.556 -0.001 0.000 0.282 551 H C 2.172 177.429 175.328 -0.118 0.000 1.016 551 H CA 0.898 56.779 56.048 -0.279 0.000 1.270 551 H CB -0.004 29.418 29.762 -0.567 0.000 1.394 551 H HN 0.260 nan 8.280 nan 0.000 0.568 552 N N 1.224 119.846 118.700 -0.130 0.000 2.348 552 N HA -0.109 4.630 4.740 -0.001 0.000 0.185 552 N C 1.978 177.424 175.510 -0.106 0.000 1.019 552 N CA 0.893 53.805 53.050 -0.230 0.000 0.880 552 N CB -0.223 37.749 38.487 -0.858 0.000 0.965 552 N HN 0.347 nan 8.380 nan 0.000 0.437 553 A N 1.294 124.042 122.820 -0.120 0.000 1.978 553 A HA -0.153 4.166 4.320 -0.001 0.000 0.220 553 A C 2.227 179.688 177.584 -0.206 0.000 1.170 553 A CA 1.190 53.130 52.037 -0.161 0.000 0.636 553 A CB -0.377 18.514 19.000 -0.182 0.000 0.810 553 A HN 0.276 nan 8.150 nan 0.000 0.448 554 R N -0.876 119.596 120.500 -0.046 0.000 2.096 554 R HA -0.058 4.281 4.340 -0.001 0.000 0.235 554 R C 1.922 178.260 176.300 0.063 0.000 1.127 554 R CA 1.383 57.490 56.100 0.012 0.000 0.968 554 R CB -0.467 29.976 30.300 0.237 0.000 0.861 554 R HN 0.398 nan 8.270 nan 0.000 0.440 555 V N 1.245 121.230 119.914 0.118 0.000 2.379 555 V HA -0.164 3.955 4.120 -0.001 0.000 0.245 555 V C 2.213 178.386 176.094 0.132 0.000 1.044 555 V CA 1.463 63.852 62.300 0.147 0.000 1.036 555 V CB -0.377 31.567 31.823 0.203 0.000 0.664 555 V HN 0.271 nan 8.190 nan 0.000 0.453 556 L N 0.298 121.545 121.223 0.039 0.000 2.131 556 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 556 L C 2.727 179.544 176.870 -0.087 0.000 1.092 556 L CA 1.541 56.373 54.840 -0.012 0.000 0.759 556 L CB -0.882 41.168 42.059 -0.015 0.000 0.903 556 L HN 0.381 nan 8.230 nan 0.000 0.435 557 A N -0.485 122.146 122.820 -0.314 0.000 1.898 557 A HA -0.259 4.060 4.320 -0.001 0.000 0.216 557 A C 2.006 179.572 177.584 -0.030 0.000 1.181 557 A CA 1.427 53.121 52.037 -0.571 0.000 0.620 557 A CB -0.915 17.470 19.000 -1.024 0.000 0.819 557 A HN 0.611 nan 8.150 nan 0.000 0.442 558 W N 0.723 121.971 121.300 -0.085 0.000 2.355 558 W HA -0.151 4.508 4.660 -0.001 0.000 0.309 558 W C 1.774 178.315 176.519 0.038 0.000 1.206 558 W CA 1.876 59.231 57.345 0.018 0.000 1.284 558 W CB -0.304 29.175 29.460 0.032 0.000 1.145 558 W HN 0.290 nan 8.180 nan 0.000 0.502 559 I N -0.221 120.305 120.570 -0.073 0.000 2.208 559 I HA -0.327 3.843 4.170 -0.001 0.000 0.245 559 I C 2.418 178.407 176.117 -0.214 0.000 1.097 559 I CA 1.655 62.701 61.300 -0.423 0.000 1.363 559 I CB -0.887 36.751 38.000 -0.605 0.000 1.051 559 I HN -0.022 nan 8.210 nan 0.000 0.413 560 F N 1.767 121.628 119.950 -0.149 0.000 2.091 560 F HA -0.221 4.305 4.527 -0.001 0.000 0.299 560 F C 2.358 178.147 175.800 -0.019 0.000 1.103 560 F CA 1.959 59.960 58.000 0.001 0.000 1.228 560 F CB -0.759 38.355 39.000 0.190 0.000 0.984 560 F HN 0.010 nan 8.300 nan 0.000 0.477 561 G N -0.023 108.899 108.800 0.203 0.000 2.432 561 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.219 561 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.219 561 G C 1.808 176.623 174.900 -0.142 0.000 1.135 561 G CA 0.412 45.554 45.100 0.070 0.000 0.767 561 G HN 0.162 nan 8.290 nan 0.000 0.550 562 R N 0.273 120.578 120.500 -0.324 0.000 2.075 562 R HA 0.089 4.428 4.340 -0.001 0.000 0.232 562 R C 2.587 178.804 176.300 -0.139 0.000 1.126 562 R CA 0.575 56.483 56.100 -0.319 0.000 0.963 562 R CB -0.859 29.167 30.300 -0.457 0.000 0.858 562 R HN 0.453 nan 8.270 nan 0.000 0.435 563 I N 1.267 121.774 120.570 -0.105 0.000 2.248 563 I HA -0.300 3.869 4.170 -0.001 0.000 0.248 563 I C 1.906 177.954 176.117 -0.116 0.000 1.107 563 I CA 1.453 62.700 61.300 -0.089 0.000 1.373 563 I CB -0.262 37.639 38.000 -0.164 0.000 1.055 563 I HN 0.194 nan 8.210 nan 0.000 0.418 564 Q N 0.358 120.074 119.800 -0.139 0.000 2.444 564 Q HA 0.075 4.414 4.340 -0.001 0.000 0.206 564 Q C 1.399 177.364 176.000 -0.058 0.000 0.948 564 Q CA 0.589 56.336 55.803 -0.095 0.000 0.946 564 Q CB 0.389 29.095 28.738 -0.053 0.000 1.027 564 Q HN 0.682 nan 8.270 nan 0.000 0.513 565 G N 1.514 110.270 108.800 -0.074 0.000 2.143 565 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.249 565 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.249 565 G C -0.047 174.808 174.900 -0.076 0.000 0.981 565 G CA -0.275 44.783 45.100 -0.070 0.000 0.665 565 G HN 0.222 nan 8.290 nan 0.000 0.528 566 R N 0.301 120.753 120.500 -0.080 0.000 2.590 566 R HA 0.283 4.622 4.340 -0.001 0.000 0.274 566 R C -0.093 176.155 176.300 -0.087 0.000 1.061 566 R CA 0.007 56.073 56.100 -0.057 0.000 1.081 566 R CB 0.430 30.714 30.300 -0.026 0.000 0.984 566 R HN 0.188 nan 8.270 nan 0.000 0.448 567 D N 1.776 122.148 120.400 -0.048 0.000 2.688 567 D HA -0.002 4.637 4.640 -0.001 0.000 0.228 567 D C 0.172 176.476 176.300 0.007 0.000 1.116 567 D CA -0.056 53.915 54.000 -0.049 0.000 1.023 567 D CB 0.078 40.866 40.800 -0.021 0.000 1.100 567 D HN 0.548 nan 8.370 nan 0.000 0.487 568 T N -1.047 113.523 114.554 0.027 0.000 3.252 568 T HA 0.622 4.971 4.350 -0.001 0.000 0.286 568 T C 0.306 175.223 174.700 0.363 0.000 1.013 568 T CA -0.452 61.764 62.100 0.192 0.000 0.914 568 T CB 0.441 69.455 68.868 0.244 0.000 1.131 568 T HN 0.210 nan 8.240 nan 0.000 0.529 569 A N 2.011 124.957 122.820 0.211 0.000 2.454 569 A HA 0.896 5.216 4.320 -0.001 0.000 0.302 569 A C -0.417 177.370 177.584 0.339 0.000 1.079 569 A CA -1.415 50.825 52.037 0.338 0.000 0.731 569 A CB 1.542 20.702 19.000 0.267 0.000 1.299 569 A HN 0.608 nan 8.150 nan 0.000 0.413 570 R N 0.907 121.675 120.500 0.446 0.000 2.740 570 R HA 0.772 5.112 4.340 -0.001 0.000 0.282 570 R C -3.135 173.478 176.300 0.522 0.000 0.969 570 R CA -1.885 54.481 56.100 0.443 0.000 0.918 570 R CB 2.008 32.439 30.300 0.218 0.000 1.175 570 R HN 0.406 nan 8.270 nan 0.000 0.464 571 P HA 0.171 nan 4.420 nan 0.000 0.282 571 P C -0.829 176.510 177.300 0.065 0.000 1.249 571 P CA -0.254 62.874 63.100 0.048 0.000 0.806 571 P CB 1.744 33.333 31.700 -0.184 0.000 0.984 572 T N -1.616 112.968 114.554 0.050 0.000 2.865 572 T HA 0.496 4.845 4.350 -0.001 0.000 0.294 572 T C -2.300 172.401 174.700 0.001 0.000 1.119 572 T CA -2.217 59.894 62.100 0.017 0.000 1.007 572 T CB 1.029 69.900 68.868 0.004 0.000 1.225 572 T HN -0.033 nan 8.240 nan 0.000 0.515 573 P HA 0.029 nan 4.420 nan 0.000 0.220 573 P C 1.315 178.509 177.300 -0.177 0.000 1.144 573 P CA 0.907 63.944 63.100 -0.105 0.000 0.800 573 P CB -0.250 31.360 31.700 -0.150 0.000 0.772 574 I N -6.719 113.686 120.570 -0.274 0.000 3.956 574 I HA 0.500 4.670 4.170 -0.001 0.000 0.333 574 I C 0.827 176.771 176.117 -0.288 0.000 1.302 574 I CA -0.044 61.045 61.300 -0.351 0.000 1.122 574 I CB 0.236 37.852 38.000 -0.639 0.000 1.013 574 I HN -0.080 nan 8.210 nan 0.000 0.405 575 G N 0.483 108.984 108.800 -0.499 0.000 2.340 575 G HA2 0.010 3.969 3.960 -0.001 0.000 0.282 575 G HA3 0.010 3.969 3.960 -0.001 0.000 0.282 575 G C -2.033 172.522 174.900 -0.576 0.000 1.312 575 G CA -1.020 43.443 45.100 -1.061 0.000 0.942 575 G HN 0.254 nan 8.290 nan 0.000 0.495 576 W N 0.511 121.645 121.300 -0.277 0.000 2.238 576 W HA 0.511 5.171 4.660 -0.001 0.000 0.321 576 W C 0.851 177.449 176.519 0.132 0.000 1.293 576 W CA 0.027 57.429 57.345 0.095 0.000 1.204 576 W CB 1.481 31.079 29.460 0.229 0.000 1.167 576 W HN 0.594 nan 8.180 nan 0.000 0.553 577 V N 1.207 121.327 119.914 0.342 0.000 2.960 577 V HA 0.662 4.782 4.120 -0.001 0.000 0.315 577 V C -2.591 173.407 176.094 -0.161 0.000 1.087 577 V CA -3.650 58.645 62.300 -0.009 0.000 0.982 577 V CB 1.535 33.263 31.823 -0.158 0.000 1.039 577 V HN 0.256 nan 8.190 nan 0.000 0.437 578 P HA 0.193 nan 4.420 nan 0.000 0.268 578 P C -0.557 176.574 177.300 -0.281 0.000 1.204 578 P CA 0.020 62.716 63.100 -0.673 0.000 0.768 578 P CB 0.200 31.135 31.700 -1.275 0.000 0.842 579 K N 1.867 122.250 120.400 -0.029 0.000 2.436 579 K HA -0.009 4.310 4.320 -0.001 0.000 0.275 579 K C 0.585 177.068 176.600 -0.196 0.000 0.999 579 K CA 0.009 56.262 56.287 -0.057 0.000 0.980 579 K CB 0.270 32.779 32.500 0.015 0.000 0.919 579 K HN 0.492 nan 8.250 nan 0.000 0.484 580 E N 0.614 120.522 120.200 -0.485 0.000 2.480 580 E HA -0.063 4.286 4.350 -0.001 0.000 0.258 580 E C 0.749 177.160 176.600 -0.315 0.000 0.984 580 E CA 0.906 56.813 56.400 -0.823 0.000 0.930 580 E CB 0.104 29.137 29.700 -1.113 0.000 0.936 580 E HN 0.760 nan 8.360 nan 0.000 0.466 581 G N 4.654 113.347 108.800 -0.178 0.000 2.279 581 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.223 581 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.223 581 G C 0.721 175.635 174.900 0.024 0.000 1.015 581 G CA 0.214 45.284 45.100 -0.051 0.000 0.621 581 G HN 0.654 nan 8.290 nan 0.000 0.506 582 D N -0.048 120.374 120.400 0.037 0.000 2.350 582 D HA 0.214 4.853 4.640 -0.001 0.000 0.213 582 D C 0.802 177.214 176.300 0.187 0.000 1.031 582 D CA 0.160 54.245 54.000 0.143 0.000 0.861 582 D CB 0.586 41.515 40.800 0.214 0.000 0.926 582 D HN 0.418 nan 8.370 nan 0.000 0.520 583 L N 1.586 122.860 121.223 0.085 0.000 2.275 583 L HA 0.241 4.580 4.340 -0.001 0.000 0.288 583 L C -0.369 176.590 176.870 0.148 0.000 1.046 583 L CA -0.532 54.370 54.840 0.103 0.000 0.805 583 L CB 1.414 43.508 42.059 0.058 0.000 1.193 583 L HN -0.310 nan 8.230 nan 0.000 0.426 584 D N 4.971 125.463 120.400 0.153 0.000 2.344 584 D HA 0.109 4.749 4.640 -0.001 0.000 0.253 584 D C 0.415 176.803 176.300 0.146 0.000 1.255 584 D CA 0.353 54.431 54.000 0.130 0.000 0.894 584 D CB 0.521 41.383 40.800 0.104 0.000 1.067 584 D HN 0.642 nan 8.370 nan 0.000 0.492 585 L N 2.803 124.104 121.223 0.129 0.000 2.728 585 L HA 0.303 4.642 4.340 -0.001 0.000 0.238 585 L C 1.378 178.277 176.870 0.048 0.000 1.143 585 L CA -0.480 54.427 54.840 0.111 0.000 0.937 585 L CB 0.550 42.701 42.059 0.153 0.000 1.225 585 L HN 0.337 nan 8.230 nan 0.000 0.507 586 G N -0.293 108.538 108.800 0.051 0.000 2.334 586 G HA2 0.355 4.314 3.960 -0.001 0.000 0.261 586 G HA3 0.355 4.314 3.960 -0.001 0.000 0.261 586 G C 1.068 175.977 174.900 0.016 0.000 1.257 586 G CA 0.669 45.790 45.100 0.034 0.000 0.935 586 G HN 0.409 nan 8.290 nan 0.000 0.480 587 G N 1.247 110.045 108.800 -0.003 0.000 2.175 587 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.244 587 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.244 587 G C 0.372 175.225 174.900 -0.079 0.000 0.982 587 G CA 0.188 45.277 45.100 -0.018 0.000 0.641 587 G HN 0.859 nan 8.290 nan 0.000 0.527 588 L N 1.750 122.914 121.223 -0.099 0.000 2.581 588 L HA 0.333 4.672 4.340 -0.001 0.000 0.241 588 L C -2.309 174.515 176.870 -0.077 0.000 1.265 588 L CA -1.711 53.030 54.840 -0.165 0.000 0.954 588 L CB 1.318 43.221 42.059 -0.260 0.000 1.269 588 L HN -0.062 nan 8.230 nan 0.000 0.475 589 P HA 0.324 nan 4.420 nan 0.000 0.279 589 P C 0.899 178.186 177.300 -0.021 0.000 1.239 589 P CA 0.306 63.393 63.100 -0.022 0.000 0.789 589 P CB 1.565 33.255 31.700 -0.017 0.000 0.933 590 G N 1.153 109.954 108.800 0.002 0.000 2.317 590 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.227 590 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.227 590 G C 0.039 174.954 174.900 0.025 0.000 1.042 590 G CA -0.087 45.018 45.100 0.009 0.000 0.623 590 G HN 0.552 nan 8.290 nan 0.000 0.509 591 V N 2.357 122.284 119.914 0.021 0.000 2.540 591 V HA 0.365 4.484 4.120 -0.001 0.000 0.297 591 V C 0.280 176.442 176.094 0.114 0.000 1.024 591 V CA 0.660 62.997 62.300 0.063 0.000 1.105 591 V CB 1.472 33.329 31.823 0.056 0.000 0.938 591 V HN 0.423 nan 8.190 nan 0.000 0.482 592 D N 3.550 124.024 120.400 0.123 0.000 2.427 592 D HA 0.134 4.774 4.640 -0.001 0.000 0.226 592 D C 0.536 176.945 176.300 0.182 0.000 1.076 592 D CA -0.506 53.577 54.000 0.139 0.000 0.849 592 D CB 0.717 41.574 40.800 0.095 0.000 1.052 592 D HN 0.544 nan 8.370 nan 0.000 0.515 593 Y N 3.498 123.873 120.300 0.125 0.000 2.102 593 Y HA -0.338 4.211 4.550 -0.001 0.000 0.280 593 Y C 2.218 178.241 175.900 0.206 0.000 1.178 593 Y CA 2.556 60.771 58.100 0.192 0.000 1.146 593 Y CB -0.029 38.526 38.460 0.158 0.000 0.968 593 Y HN 0.457 nan 8.280 nan 0.000 0.504 594 S N -0.473 115.410 115.700 0.304 0.000 2.419 594 S HA -0.234 4.235 4.470 -0.001 0.000 0.233 594 S C 1.681 176.308 174.600 0.045 0.000 1.016 594 S CA 1.412 59.730 58.200 0.196 0.000 0.974 594 S CB -0.505 62.810 63.200 0.192 0.000 0.786 594 S HN 0.708 nan 8.310 nan 0.000 0.492 595 Q N 0.453 120.263 119.800 0.016 0.000 2.245 595 Q HA 0.231 4.570 4.340 -0.001 0.000 0.201 595 Q C 2.011 177.916 176.000 -0.157 0.000 0.955 595 Q CA 0.744 56.523 55.803 -0.040 0.000 0.870 595 Q CB -0.274 28.464 28.738 0.001 0.000 0.945 595 Q HN 0.571 nan 8.270 nan 0.000 0.461 596 L N -0.918 120.142 121.223 -0.272 0.000 2.313 596 L HA 0.006 4.345 4.340 -0.001 0.000 0.214 596 L C 0.322 176.524 176.870 -1.113 0.000 1.119 596 L CA 0.608 55.051 54.840 -0.661 0.000 0.809 596 L CB 0.254 41.851 42.059 -0.769 0.000 0.933 596 L HN 0.088 nan 8.230 nan 0.000 0.449 597 F N 0.377 120.106 119.950 -0.367 0.000 2.542 597 F HA 0.325 4.851 4.527 -0.001 0.000 0.323 597 F C -2.055 173.662 175.800 -0.139 0.000 1.411 597 F CA -2.251 55.567 58.000 -0.303 0.000 1.124 597 F CB 0.034 38.745 39.000 -0.481 0.000 1.331 597 F HN -0.146 nan 8.300 nan 0.000 0.560 598 P HA 0.114 nan 4.420 nan 0.000 0.269 598 P C -0.402 176.964 177.300 0.111 0.000 1.209 598 P CA -0.192 62.918 63.100 0.015 0.000 0.776 598 P CB 1.490 33.145 31.700 -0.075 0.000 0.876 599 M N 2.118 121.802 119.600 0.141 0.000 1.949 599 M HA 0.233 4.712 4.480 -0.001 0.000 0.234 599 M C -0.981 175.457 176.300 0.231 0.000 0.855 599 M CA -0.144 55.283 55.300 0.212 0.000 0.800 599 M CB 0.288 32.977 32.600 0.148 0.000 1.697 599 M HN 0.175 nan 8.290 nan 0.000 0.357 600 E N 1.763 122.151 120.200 0.313 0.000 2.073 600 E HA 0.214 4.564 4.350 -0.001 0.000 0.269 600 E C 0.558 177.373 176.600 0.358 0.000 0.917 600 E CA -0.330 56.217 56.400 0.246 0.000 0.757 600 E CB 1.571 31.349 29.700 0.131 0.000 1.111 600 E HN 0.509 nan 8.360 nan 0.000 0.410 601 K N 2.959 123.513 120.400 0.257 0.000 2.032 601 K HA -0.181 4.139 4.320 -0.001 0.000 0.209 601 K C 1.887 178.608 176.600 0.202 0.000 1.048 601 K CA 1.791 58.221 56.287 0.238 0.000 0.927 601 K CB -0.246 32.340 32.500 0.144 0.000 0.712 601 K HN 0.657 nan 8.250 nan 0.000 0.441 602 G N 0.734 109.618 108.800 0.140 0.000 2.476 602 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.218 602 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.218 602 G C 1.365 176.300 174.900 0.059 0.000 1.164 602 G CA 0.998 46.150 45.100 0.087 0.000 0.768 602 G HN 0.457 nan 8.290 nan 0.000 0.560 603 F N 0.038 119.941 119.950 -0.078 0.000 2.102 603 F HA -0.060 4.466 4.527 -0.001 0.000 0.298 603 F C 2.373 177.986 175.800 -0.313 0.000 1.105 603 F CA 1.630 59.478 58.000 -0.255 0.000 1.239 603 F CB -0.174 38.573 39.000 -0.421 0.000 0.991 603 F HN 0.223 nan 8.300 nan 0.000 0.474 604 W N 0.982 122.298 121.300 0.026 0.000 2.436 604 W HA -0.034 4.625 4.660 -0.001 0.000 0.284 604 W C 2.346 178.799 176.519 -0.110 0.000 1.225 604 W CA 1.067 58.374 57.345 -0.064 0.000 1.271 604 W CB -0.397 29.121 29.460 0.096 0.000 1.114 604 W HN 0.047 nan 8.180 nan 0.000 0.559 605 E N 0.287 120.552 120.200 0.109 0.000 2.077 605 E HA -0.266 4.083 4.350 -0.001 0.000 0.193 605 E C 1.848 178.421 176.600 -0.045 0.000 0.989 605 E CA 1.572 57.999 56.400 0.045 0.000 0.800 605 E CB -0.164 29.560 29.700 0.041 0.000 0.746 605 E HN 0.147 nan 8.360 nan 0.000 0.452 606 E N 1.200 121.312 120.200 -0.147 0.000 2.072 606 E HA -0.220 4.129 4.350 -0.001 0.000 0.191 606 E C 1.844 178.280 176.600 -0.272 0.000 0.985 606 E CA 1.329 57.607 56.400 -0.204 0.000 0.801 606 E CB -0.023 29.528 29.700 -0.248 0.000 0.750 606 E HN 0.074 nan 8.360 nan 0.000 0.452 607 E N -0.461 119.459 120.200 -0.467 0.000 2.077 607 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 607 E C 1.942 178.477 176.600 -0.108 0.000 0.989 607 E CA 1.532 57.675 56.400 -0.428 0.000 0.800 607 E CB -0.599 28.664 29.700 -0.728 0.000 0.746 607 E HN 0.386 nan 8.360 nan 0.000 0.452 608 C N 0.184 119.490 119.300 0.009 0.000 2.429 608 C HA -0.023 4.437 4.460 -0.001 0.000 0.277 608 C C 2.562 177.570 174.990 0.029 0.000 1.262 608 C CA 0.811 59.878 59.018 0.081 0.000 1.733 608 C CB -0.919 26.887 27.740 0.110 0.000 2.010 608 C HN 0.444 nan 8.230 nan 0.000 0.483 609 R N 0.324 120.819 120.500 -0.008 0.000 2.081 609 R HA -0.166 4.173 4.340 -0.001 0.000 0.235 609 R C 2.361 178.652 176.300 -0.016 0.000 1.131 609 R CA 1.452 57.546 56.100 -0.010 0.000 0.960 609 R CB -0.364 29.921 30.300 -0.025 0.000 0.856 609 R HN 0.680 nan 8.270 nan 0.000 0.436 610 Q N 0.358 120.135 119.800 -0.038 0.000 2.084 610 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 610 Q C 2.272 178.268 176.000 -0.007 0.000 0.978 610 Q CA 1.178 56.974 55.803 -0.012 0.000 0.844 610 Q CB -0.056 28.659 28.738 -0.037 0.000 0.898 610 Q HN 0.355 nan 8.270 nan 0.000 0.426 611 L N 0.118 121.311 121.223 -0.050 0.000 2.093 611 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 611 L C 2.667 179.371 176.870 -0.278 0.000 1.085 611 L CA 1.053 55.760 54.840 -0.222 0.000 0.755 611 L CB -0.317 41.637 42.059 -0.175 0.000 0.904 611 L HN 0.180 nan 8.230 nan 0.000 0.435 612 R N 0.277 120.749 120.500 -0.047 0.000 2.075 612 R HA -0.217 4.122 4.340 -0.001 0.000 0.232 612 R C 2.229 178.552 176.300 0.038 0.000 1.126 612 R CA 1.725 57.859 56.100 0.056 0.000 0.963 612 R CB -0.115 30.227 30.300 0.071 0.000 0.858 612 R HN 0.343 nan 8.270 nan 0.000 0.435 613 E N -0.674 119.532 120.200 0.010 0.000 2.077 613 E HA -0.254 4.095 4.350 -0.001 0.000 0.193 613 E C 1.743 178.345 176.600 0.004 0.000 0.989 613 E CA 1.277 57.685 56.400 0.014 0.000 0.800 613 E CB -0.251 29.459 29.700 0.017 0.000 0.746 613 E HN 0.420 nan 8.360 nan 0.000 0.452 614 Y N 0.348 120.531 120.300 -0.195 0.000 2.097 614 Y HA -0.303 4.247 4.550 -0.001 0.000 0.282 614 Y C 1.778 177.642 175.900 -0.060 0.000 1.152 614 Y CA 2.081 60.001 58.100 -0.300 0.000 1.136 614 Y CB -0.743 37.229 38.460 -0.813 0.000 0.975 614 Y HN 0.162 nan 8.280 nan 0.000 0.498 615 Y N -0.649 119.572 120.300 -0.132 0.000 2.181 615 Y HA -0.182 4.368 4.550 -0.001 0.000 0.288 615 Y C 2.742 178.601 175.900 -0.068 0.000 1.146 615 Y CA 0.390 58.413 58.100 -0.128 0.000 1.164 615 Y CB -0.772 37.654 38.460 -0.057 0.000 0.982 615 Y HN 0.240 nan 8.280 nan 0.000 0.515 616 G N -0.044 108.824 108.800 0.113 0.000 2.421 616 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.216 616 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.216 616 G C 1.468 176.370 174.900 0.003 0.000 1.171 616 G CA 1.009 46.142 45.100 0.055 0.000 0.775 616 G HN 0.246 nan 8.290 nan 0.000 0.543 617 E N 0.888 121.067 120.200 -0.036 0.000 2.046 617 E HA -0.055 4.294 4.350 -0.001 0.000 0.190 617 E C 2.305 178.835 176.600 -0.117 0.000 0.982 617 E CA 1.050 57.413 56.400 -0.063 0.000 0.800 617 E CB -0.298 29.371 29.700 -0.052 0.000 0.756 617 E HN 0.508 nan 8.360 nan 0.000 0.449 618 N N -1.051 117.524 118.700 -0.208 0.000 2.409 618 N HA 0.050 4.789 4.740 -0.001 0.000 0.174 618 N C 1.178 176.431 175.510 -0.429 0.000 1.037 618 N CA 0.423 53.263 53.050 -0.351 0.000 0.898 618 N CB 0.142 38.288 38.487 -0.569 0.000 1.010 618 N HN 0.018 nan 8.380 nan 0.000 0.445 619 F N -0.163 119.647 119.950 -0.233 0.000 2.637 619 F HA 0.377 4.903 4.527 -0.001 0.000 0.284 619 F C 1.929 177.655 175.800 -0.124 0.000 1.105 619 F CA 0.397 58.293 58.000 -0.174 0.000 1.356 619 F CB -0.344 38.558 39.000 -0.164 0.000 1.096 619 F HN -0.007 nan 8.300 nan 0.000 0.616 620 G N 1.342 110.193 108.800 0.085 0.000 2.634 620 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.309 620 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.309 620 G C 1.371 176.288 174.900 0.028 0.000 1.265 620 G CA 0.716 45.835 45.100 0.030 0.000 0.998 620 G HN 0.657 nan 8.290 nan 0.000 0.551 621 A N -0.942 121.880 122.820 0.004 0.000 2.172 621 A HA 0.151 4.470 4.320 -0.001 0.000 0.216 621 A C 1.851 179.437 177.584 0.004 0.000 1.154 621 A CA 2.265 54.300 52.037 -0.003 0.000 0.701 621 A CB -0.294 18.698 19.000 -0.013 0.000 0.789 621 A HN 0.553 nan 8.150 nan 0.000 0.465 622 D N -0.982 119.432 120.400 0.024 0.000 2.355 622 D HA 0.072 4.711 4.640 -0.001 0.000 0.218 622 D C 0.376 176.724 176.300 0.079 0.000 1.004 622 D CA 0.070 54.097 54.000 0.045 0.000 0.880 622 D CB -0.116 40.701 40.800 0.029 0.000 0.911 622 D HN 0.384 nan 8.370 nan 0.000 0.528 623 L N 2.119 123.371 121.223 0.047 0.000 2.410 623 L HA 0.214 4.553 4.340 -0.001 0.000 0.273 623 L C -2.254 174.548 176.870 -0.113 0.000 1.144 623 L CA -1.196 53.572 54.840 -0.121 0.000 0.863 623 L CB 0.425 42.328 42.059 -0.261 0.000 1.140 623 L HN -0.248 nan 8.230 nan 0.000 0.463 624 P HA 0.097 nan 4.420 nan 0.000 0.268 624 P C -0.060 177.188 177.300 -0.087 0.000 1.205 624 P CA -0.296 62.766 63.100 -0.064 0.000 0.771 624 P CB 0.616 32.298 31.700 -0.030 0.000 0.858 625 R N 2.956 123.426 120.500 -0.050 0.000 2.103 625 R HA -0.190 4.149 4.340 -0.001 0.000 0.242 625 R C 1.105 177.374 176.300 -0.052 0.000 1.142 625 R CA 2.014 58.084 56.100 -0.050 0.000 0.960 625 R CB -1.281 29.003 30.300 -0.027 0.000 0.858 625 R HN 0.396 nan 8.270 nan 0.000 0.439 626 D N -0.597 119.787 120.400 -0.028 0.000 2.178 626 D HA -0.109 4.530 4.640 -0.001 0.000 0.201 626 D C 1.824 178.104 176.300 -0.033 0.000 0.980 626 D CA 1.325 55.319 54.000 -0.010 0.000 0.842 626 D CB -0.025 40.800 40.800 0.041 0.000 0.948 626 D HN 0.145 nan 8.370 nan 0.000 0.472 627 V N 0.792 120.663 119.914 -0.071 0.000 2.323 627 V HA -0.221 3.898 4.120 -0.001 0.000 0.244 627 V C 2.323 178.332 176.094 -0.142 0.000 1.041 627 V CA 1.288 63.531 62.300 -0.095 0.000 1.025 627 V CB -0.384 31.288 31.823 -0.251 0.000 0.656 627 V HN 0.139 nan 8.190 nan 0.000 0.451 628 M N 1.207 120.695 119.600 -0.186 0.000 2.149 628 M HA -0.126 4.353 4.480 -0.001 0.000 0.261 628 M C 1.999 178.241 176.300 -0.097 0.000 1.064 628 M CA 2.161 57.391 55.300 -0.117 0.000 1.102 628 M CB -0.860 31.685 32.600 -0.093 0.000 1.369 628 M HN 0.271 nan 8.290 nan 0.000 0.408 629 A N -0.470 122.289 122.820 -0.102 0.000 1.933 629 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 629 A C 2.016 179.496 177.584 -0.173 0.000 1.175 629 A CA 1.750 53.724 52.037 -0.104 0.000 0.628 629 A CB -0.711 18.245 19.000 -0.073 0.000 0.814 629 A HN 0.550 nan 8.150 nan 0.000 0.444 630 E N -0.409 119.644 120.200 -0.245 0.000 2.077 630 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 630 E C 1.983 178.122 176.600 -0.769 0.000 0.989 630 E CA 1.170 57.277 56.400 -0.488 0.000 0.800 630 E CB -0.588 28.795 29.700 -0.529 0.000 0.746 630 E HN 0.537 nan 8.360 nan 0.000 0.452 631 L N 1.764 122.627 121.223 -0.601 0.000 2.046 631 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 631 L C 1.905 178.683 176.870 -0.153 0.000 1.077 631 L CA 1.877 56.548 54.840 -0.280 0.000 0.747 631 L CB -0.387 41.778 42.059 0.176 0.000 0.896 631 L HN 0.027 nan 8.230 nan 0.000 0.432 632 E N -0.654 119.471 120.200 -0.124 0.000 2.110 632 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 632 E C 2.080 178.614 176.600 -0.109 0.000 0.988 632 E CA 0.956 57.307 56.400 -0.082 0.000 0.804 632 E CB -0.508 29.152 29.700 -0.067 0.000 0.745 632 E HN 0.696 nan 8.360 nan 0.000 0.458 633 G N 1.312 110.013 108.800 -0.166 0.000 2.402 633 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.216 633 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.216 633 G C 1.542 176.343 174.900 -0.164 0.000 1.162 633 G CA 0.491 45.489 45.100 -0.169 0.000 0.777 633 G HN 0.148 nan 8.290 nan 0.000 0.539 634 L N 0.800 121.902 121.223 -0.200 0.000 2.046 634 L HA -0.001 4.338 4.340 -0.001 0.000 0.208 634 L C 2.627 179.459 176.870 -0.062 0.000 1.077 634 L CA 2.139 56.898 54.840 -0.135 0.000 0.747 634 L CB -0.708 41.292 42.059 -0.099 0.000 0.896 634 L HN 0.378 nan 8.230 nan 0.000 0.432 635 E N -0.768 119.409 120.200 -0.039 0.000 2.058 635 E HA -0.296 4.053 4.350 -0.001 0.000 0.194 635 E C 2.057 178.647 176.600 -0.016 0.000 0.997 635 E CA 1.398 57.796 56.400 -0.003 0.000 0.801 635 E CB -0.105 29.597 29.700 0.004 0.000 0.746 635 E HN 0.505 nan 8.360 nan 0.000 0.450 636 E N 1.149 121.325 120.200 -0.041 0.000 2.072 636 E HA -0.140 4.209 4.350 -0.001 0.000 0.191 636 E C 1.894 178.467 176.600 -0.045 0.000 0.985 636 E CA 1.246 57.621 56.400 -0.042 0.000 0.801 636 E CB 0.033 29.700 29.700 -0.055 0.000 0.750 636 E HN 0.098 nan 8.360 nan 0.000 0.452 637 R N -0.306 120.156 120.500 -0.064 0.000 2.096 637 R HA -0.075 4.264 4.340 -0.001 0.000 0.235 637 R C 2.386 178.661 176.300 -0.042 0.000 1.127 637 R CA 1.411 57.471 56.100 -0.067 0.000 0.968 637 R CB -0.413 29.831 30.300 -0.094 0.000 0.861 637 R HN 0.132 nan 8.270 nan 0.000 0.440 638 V N 0.898 120.796 119.914 -0.026 0.000 2.427 638 V HA -0.218 3.901 4.120 -0.001 0.000 0.248 638 V C 2.419 178.532 176.094 0.031 0.000 1.051 638 V CA 1.545 63.857 62.300 0.020 0.000 1.048 638 V CB -0.576 31.291 31.823 0.074 0.000 0.666 638 V HN 0.300 nan 8.190 nan 0.000 0.456 639 R N 0.440 120.949 120.500 0.016 0.000 2.127 639 R HA -0.177 4.162 4.340 -0.001 0.000 0.238 639 R C 1.905 178.212 176.300 0.010 0.000 1.134 639 R CA 1.511 57.620 56.100 0.014 0.000 0.975 639 R CB -0.043 30.259 30.300 0.003 0.000 0.865 639 R HN 0.462 nan 8.270 nan 0.000 0.447 640 K N -0.015 120.385 120.400 0.000 0.000 2.374 640 K HA 0.097 4.416 4.320 -0.001 0.000 0.196 640 K C 0.656 177.259 176.600 0.006 0.000 1.023 640 K CA -0.107 56.179 56.287 -0.003 0.000 1.103 640 K CB 0.408 32.898 32.500 -0.017 0.000 0.848 640 K HN 0.274 nan 8.250 nan 0.000 0.528 641 M N 0.000 119.611 119.600 0.018 0.000 2.572 641 M HA 0.000 4.479 4.480 -0.001 0.000 0.227 641 M CA 0.000 55.318 55.300 0.030 0.000 0.988 641 M CB 0.000 32.623 32.600 0.038 0.000 1.302 641 M HN 0.000 nan 8.290 nan 0.000 0.411