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 1t9c_1_A DATA FIRST_RESID 85 DATA SEQUENCE MDTSFVGLTG GQIFNEMMSR QNVDTVFGYP GGAILPVYDA IHNSDKFNFV DATA SEQUENCE LPKHEQGAGH MAEGYARASG KPGVVLVTSG PGATNVVTPM ADAFADGIPM DATA SEQUENCE VVFTGQVPTS AIGTDAFQEA DVVGISRSCT KWNVMVKSVE ELPLRINEAF DATA SEQUENCE EIATSGRPGP VLVDLPKDVT AAILRNPIPT KTTLPSXXXX XXXSRAQDEF DATA SEQUENCE VMQSINKAAD LINLAKKPVL YVGAGILNHA DGPRLLKELS DRAQIPVTTT DATA SEQUENCE LQGLGSFDQE DPKSLDMLGM HGCATANLAV QNADLIIAVG ARFDDRVTGN DATA SEQUENCE ISKFAPEARR AAAEGRGGII HFEVSPKNIN KVVQTQIAVE GDATTNLGKM DATA SEQUENCE MSKIFPVKER SEWFAQINKW KKEYPYAYME ETPGSKIKPQ TVIKKLSKVA DATA SEQUENCE NDTGRHVIVT TGVGQHQMWA AQHWTWRNPH TFITSGGLGT MGYGLPAAIG DATA SEQUENCE AQVAKPESLV IDIDGDASFN MTLTELSSAV QAGTPVKILI LNNEEQGMVT DATA SEQUENCE QWQSLFYEHR YSHTHQLNPD FIKLAEAMGL KGLRVKKQEE LDAKLKEFVS DATA SEQUENCE TKGPVLLEVE VDKKVPVLPM VAGGSGLDEF INFDPEVERQ QTELRHKRTG DATA SEQUENCE GKH 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 85 M HA 0.000 nan 4.480 nan 0.000 0.227 85 M C 0.000 176.276 176.300 -0.041 0.000 1.140 85 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 85 M CB 0.000 32.593 32.600 -0.012 0.000 1.302 86 D N 0.347 120.715 120.400 -0.054 0.000 2.502 86 D HA 0.686 5.326 4.640 0.000 0.000 0.249 86 D C 0.397 176.651 176.300 -0.076 0.000 1.092 86 D CA 0.042 53.986 54.000 -0.095 0.000 0.839 86 D CB 1.641 42.343 40.800 -0.163 0.000 1.264 86 D HN 0.708 nan 8.370 nan 0.000 0.511 87 T N -0.761 113.753 114.554 -0.066 0.000 3.040 87 T HA 0.061 4.411 4.350 0.000 0.000 0.266 87 T C 1.565 176.257 174.700 -0.013 0.000 1.005 87 T CA 0.424 62.511 62.100 -0.023 0.000 0.906 87 T CB -0.215 68.650 68.868 -0.006 0.000 1.082 87 T HN 0.242 nan 8.240 nan 0.000 0.531 88 S N 0.861 116.513 115.700 -0.080 0.000 2.440 88 S HA 0.016 4.486 4.470 0.000 0.000 0.238 88 S C 1.420 176.109 174.600 0.148 0.000 1.010 88 S CA 0.461 58.636 58.200 -0.042 0.000 0.972 88 S CB -1.105 62.001 63.200 -0.156 0.000 0.774 88 S HN 0.648 nan 8.310 nan 0.000 0.501 89 F N 1.223 121.178 119.950 0.007 0.000 2.749 89 F HA 0.280 4.807 4.527 0.000 0.000 0.300 89 F C 0.486 176.293 175.800 0.013 0.000 1.103 89 F CA -0.696 57.310 58.000 0.011 0.000 1.342 89 F CB 0.412 39.421 39.000 0.015 0.000 1.098 89 F HN -0.008 nan 8.300 nan 0.000 0.586 90 V N 1.403 121.430 119.914 0.188 0.000 2.509 90 V HA 0.101 4.221 4.120 0.000 0.000 0.297 90 V C 1.068 177.213 176.094 0.086 0.000 1.014 90 V CA 1.586 63.952 62.300 0.111 0.000 1.127 90 V CB 0.024 31.889 31.823 0.070 0.000 0.925 90 V HN 0.659 nan 8.190 nan 0.000 0.480 91 G N 3.899 112.738 108.800 0.064 0.000 2.238 91 G HA2 -0.179 3.782 3.960 0.000 0.000 0.217 91 G HA3 -0.179 3.782 3.960 0.000 0.000 0.217 91 G C 0.020 174.939 174.900 0.031 0.000 0.996 91 G CA -0.102 45.024 45.100 0.043 0.000 0.632 91 G HN 0.540 nan 8.290 nan 0.000 0.503 92 L N 2.051 123.294 121.223 0.032 0.000 2.421 92 L HA 0.599 4.939 4.340 0.000 0.000 0.263 92 L C 1.523 178.381 176.870 -0.019 0.000 1.122 92 L CA -0.179 54.655 54.840 -0.010 0.000 0.804 92 L CB 1.149 43.171 42.059 -0.063 0.000 1.150 92 L HN 0.392 nan 8.230 nan 0.000 0.457 93 T N -1.939 112.597 114.554 -0.031 0.000 2.847 93 T HA 0.223 4.573 4.350 0.000 0.000 0.279 93 T C 1.235 175.912 174.700 -0.037 0.000 0.984 93 T CA -0.186 61.901 62.100 -0.022 0.000 0.988 93 T CB 1.452 70.309 68.868 -0.018 0.000 1.040 93 T HN 0.698 nan 8.240 nan 0.000 0.528 94 G N 0.149 108.939 108.800 -0.017 0.000 2.422 94 G HA2 0.007 3.967 3.960 0.000 0.000 0.218 94 G HA3 0.007 3.967 3.960 0.000 0.000 0.218 94 G C 1.553 176.452 174.900 -0.003 0.000 1.146 94 G CA 0.584 45.679 45.100 -0.008 0.000 0.769 94 G HN 1.014 nan 8.290 nan 0.000 0.547 95 G N 0.344 109.135 108.800 -0.014 0.000 2.418 95 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 95 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 95 G C 1.805 176.722 174.900 0.028 0.000 1.158 95 G CA 1.072 46.166 45.100 -0.009 0.000 0.771 95 G HN 0.527 nan 8.290 nan 0.000 0.545 96 Q N -0.294 119.491 119.800 -0.026 0.000 2.167 96 Q HA 0.072 4.413 4.340 0.000 0.000 0.202 96 Q C 2.557 178.468 176.000 -0.149 0.000 0.970 96 Q CA 0.714 56.481 55.803 -0.059 0.000 0.855 96 Q CB -0.128 28.567 28.738 -0.071 0.000 0.911 96 Q HN 0.516 nan 8.270 nan 0.000 0.438 97 I N 0.034 120.472 120.570 -0.220 0.000 2.315 97 I HA -0.237 3.933 4.170 0.000 0.000 0.248 97 I C 2.101 178.068 176.117 -0.251 0.000 1.117 97 I CA 0.847 61.874 61.300 -0.456 0.000 1.404 97 I CB -0.174 37.572 38.000 -0.424 0.000 1.071 97 I HN 0.160 nan 8.210 nan 0.000 0.419 98 F N 2.201 122.023 119.950 -0.214 0.000 2.069 98 F HA -0.314 4.213 4.527 0.000 0.000 0.298 98 F C 2.285 177.993 175.800 -0.155 0.000 1.113 98 F CA 2.239 60.121 58.000 -0.195 0.000 1.214 98 F CB -0.457 38.411 39.000 -0.221 0.000 0.978 98 F HN 0.053 nan 8.300 nan 0.000 0.474 99 N N 0.346 119.094 118.700 0.080 0.000 2.061 99 N HA -0.222 4.518 4.740 0.000 0.000 0.193 99 N C 1.734 177.210 175.510 -0.057 0.000 1.030 99 N CA 1.935 55.035 53.050 0.082 0.000 0.856 99 N CB -0.287 38.261 38.487 0.101 0.000 1.023 99 N HN 0.312 nan 8.380 nan 0.000 0.424 100 E N -0.269 119.857 120.200 -0.123 0.000 2.110 100 E HA -0.140 4.210 4.350 0.000 0.000 0.193 100 E C 1.835 178.380 176.600 -0.093 0.000 0.988 100 E CA 0.806 57.145 56.400 -0.103 0.000 0.804 100 E CB -0.275 29.331 29.700 -0.158 0.000 0.745 100 E HN 0.510 nan 8.360 nan 0.000 0.458 101 M N -0.177 119.313 119.600 -0.184 0.000 2.296 101 M HA -0.015 4.465 4.480 0.000 0.000 0.265 101 M C 2.028 178.151 176.300 -0.295 0.000 1.064 101 M CA 0.836 56.029 55.300 -0.179 0.000 1.109 101 M CB -0.630 31.859 32.600 -0.185 0.000 1.396 101 M HN 0.086 nan 8.290 nan 0.000 0.430 102 M N 0.183 119.564 119.600 -0.366 0.000 2.086 102 M HA -0.121 4.359 4.480 0.000 0.000 0.261 102 M C 2.357 178.550 176.300 -0.178 0.000 1.067 102 M CA 1.927 57.020 55.300 -0.346 0.000 1.116 102 M CB -1.673 30.734 32.600 -0.321 0.000 1.348 102 M HN 0.401 nan 8.290 nan 0.000 0.407 103 S N -0.217 115.443 115.700 -0.067 0.000 2.423 103 S HA -0.050 4.420 4.470 0.000 0.000 0.231 103 S C 1.928 176.489 174.600 -0.065 0.000 1.014 103 S CA 0.618 58.803 58.200 -0.026 0.000 0.965 103 S CB -0.466 62.739 63.200 0.008 0.000 0.785 103 S HN 0.464 nan 8.310 nan 0.000 0.495 104 R N 0.560 121.005 120.500 -0.091 0.000 2.193 104 R HA 0.169 4.509 4.340 0.000 0.000 0.213 104 R C 1.533 177.741 176.300 -0.153 0.000 1.055 104 R CA 0.751 56.800 56.100 -0.086 0.000 0.995 104 R CB -0.116 30.155 30.300 -0.048 0.000 0.893 104 R HN 0.404 nan 8.270 nan 0.000 0.459 105 Q N 0.240 119.876 119.800 -0.272 0.000 2.246 105 Q HA 0.035 4.375 4.340 0.000 0.000 0.202 105 Q C -0.251 175.593 176.000 -0.260 0.000 0.883 105 Q CA -0.056 55.496 55.803 -0.417 0.000 0.952 105 Q CB 0.020 28.144 28.738 -1.023 0.000 1.078 105 Q HN 0.383 nan 8.270 nan 0.000 0.493 106 N N -0.153 118.463 118.700 -0.139 0.000 2.735 106 N HA -0.165 4.575 4.740 0.000 0.000 0.248 106 N C -1.005 174.497 175.510 -0.012 0.000 1.083 106 N CA -0.181 52.839 53.050 -0.051 0.000 0.703 106 N CB -0.501 37.972 38.487 -0.024 0.000 1.005 106 N HN -0.062 nan 8.380 nan 0.000 0.550 107 V N 1.861 121.747 119.914 -0.046 0.000 2.432 107 V HA 0.104 4.224 4.120 0.000 0.000 0.271 107 V C 0.949 177.074 176.094 0.050 0.000 1.046 107 V CA 0.601 62.898 62.300 -0.004 0.000 0.945 107 V CB 1.450 33.213 31.823 -0.100 0.000 0.992 107 V HN 0.418 nan 8.190 nan 0.000 0.471 108 D N 1.772 122.221 120.400 0.082 0.000 2.441 108 D HA 0.113 4.753 4.640 0.000 0.000 0.210 108 D C 0.346 176.693 176.300 0.077 0.000 1.102 108 D CA 0.056 54.130 54.000 0.123 0.000 0.840 108 D CB 0.585 41.461 40.800 0.127 0.000 0.990 108 D HN 0.486 nan 8.370 nan 0.000 0.505 109 T N -0.179 114.312 114.554 -0.105 0.000 2.993 109 T HA 0.564 4.914 4.350 0.000 0.000 0.312 109 T C -1.273 173.099 174.700 -0.547 0.000 1.115 109 T CA -0.659 61.226 62.100 -0.358 0.000 1.027 109 T CB 2.502 71.001 68.868 -0.614 0.000 1.116 109 T HN -0.147 nan 8.240 nan 0.000 0.464 110 V N 3.279 122.808 119.914 -0.641 0.000 2.638 110 V HA 0.601 4.721 4.120 0.000 0.000 0.306 110 V C -1.360 174.190 176.094 -0.906 0.000 1.052 110 V CA -0.907 61.037 62.300 -0.593 0.000 0.885 110 V CB 1.557 33.092 31.823 -0.481 0.000 0.999 110 V HN 0.834 nan 8.190 nan 0.000 0.424 111 F N 2.781 122.489 119.950 -0.403 0.000 2.427 111 F HA 0.891 5.418 4.527 0.000 0.000 0.346 111 F C 0.795 176.425 175.800 -0.284 0.000 1.120 111 F CA -0.236 57.523 58.000 -0.402 0.000 1.033 111 F CB 2.036 40.910 39.000 -0.210 0.000 1.126 111 F HN 0.676 nan 8.300 nan 0.000 0.462 112 G N 1.631 110.326 108.800 -0.175 0.000 2.550 112 G HA2 0.483 4.443 3.960 0.000 0.000 0.293 112 G HA3 0.483 4.443 3.960 0.000 0.000 0.293 112 G C -2.684 172.551 174.900 0.559 0.000 1.402 112 G CA -0.709 44.557 45.100 0.277 0.000 0.784 112 G HN 0.414 nan 8.290 nan 0.000 0.482 113 Y N 0.553 121.098 120.300 0.408 0.000 2.401 113 Y HA 0.560 5.110 4.550 0.000 0.000 0.330 113 Y C -2.467 173.420 175.900 -0.021 0.000 1.071 113 Y CA -1.510 56.717 58.100 0.213 0.000 1.049 113 Y CB 2.846 41.357 38.460 0.085 0.000 1.239 113 Y HN 0.468 nan 8.280 nan 0.000 0.437 114 P HA 0.441 nan 4.420 nan 0.000 0.270 114 P C -0.585 176.508 177.300 -0.345 0.000 1.223 114 P CA 0.130 62.667 63.100 -0.938 0.000 0.785 114 P CB 0.887 31.997 31.700 -0.983 0.000 0.923 115 G N -0.825 107.792 108.800 -0.305 0.000 2.523 115 G HA2 0.437 4.397 3.960 0.000 0.000 0.291 115 G HA3 0.437 4.397 3.960 0.000 0.000 0.291 115 G C 0.689 175.537 174.900 -0.087 0.000 1.450 115 G CA -0.107 44.925 45.100 -0.113 0.000 0.790 115 G HN 0.532 nan 8.290 nan 0.000 0.496 116 G N 0.351 109.134 108.800 -0.028 0.000 2.514 116 G HA2 0.097 4.057 3.960 0.000 0.000 0.217 116 G HA3 0.097 4.057 3.960 0.000 0.000 0.217 116 G C 2.112 177.014 174.900 0.002 0.000 1.198 116 G CA 2.300 47.404 45.100 0.006 0.000 0.780 116 G HN 1.624 nan 8.290 nan 0.000 0.565 117 A N 0.000 122.819 122.820 -0.002 0.000 1.978 117 A HA 0.012 4.332 4.320 0.000 0.000 0.220 117 A C 2.198 179.786 177.584 0.006 0.000 1.170 117 A CA 1.616 53.653 52.037 -0.001 0.000 0.636 117 A CB -0.245 18.744 19.000 -0.019 0.000 0.810 117 A HN 0.461 nan 8.150 nan 0.000 0.448 118 I N -0.715 119.865 120.570 0.018 0.000 3.875 118 I HA 0.177 4.347 4.170 0.000 0.000 0.329 118 I C 1.517 177.702 176.117 0.113 0.000 1.295 118 I CA -0.018 61.320 61.300 0.064 0.000 1.129 118 I CB -0.226 37.858 38.000 0.141 0.000 1.008 118 I HN 0.258 nan 8.210 nan 0.000 0.413 119 L N 1.305 122.552 121.223 0.040 0.000 2.043 119 L HA -0.147 4.193 4.340 0.000 0.000 0.212 119 L C -0.303 176.595 176.870 0.046 0.000 1.075 119 L CA 1.621 56.482 54.840 0.036 0.000 0.752 119 L CB -1.845 40.204 42.059 -0.018 0.000 0.891 119 L HN 0.242 nan 8.230 nan 0.000 0.432 120 P HA -0.148 nan 4.420 nan 0.000 0.218 120 P C 1.814 179.096 177.300 -0.030 0.000 1.148 120 P CA 1.179 64.273 63.100 -0.011 0.000 0.822 120 P CB 0.093 31.783 31.700 -0.018 0.000 0.784 121 V N -2.325 117.552 119.914 -0.063 0.000 2.488 121 V HA -0.203 3.917 4.120 0.000 0.000 0.246 121 V C 2.058 178.056 176.094 -0.161 0.000 1.046 121 V CA 1.511 63.699 62.300 -0.187 0.000 1.053 121 V CB -1.345 30.207 31.823 -0.452 0.000 0.679 121 V HN 0.033 nan 8.190 nan 0.000 0.458 122 Y N 0.842 121.069 120.300 -0.122 0.000 2.242 122 Y HA -0.229 4.321 4.550 0.000 0.000 0.291 122 Y C 2.418 178.270 175.900 -0.080 0.000 1.137 122 Y CA 2.000 60.032 58.100 -0.113 0.000 1.181 122 Y CB -0.376 37.998 38.460 -0.144 0.000 0.989 122 Y HN 0.356 nan 8.280 nan 0.000 0.527 123 D N -0.497 119.936 120.400 0.055 0.000 2.178 123 D HA -0.167 4.473 4.640 0.000 0.000 0.201 123 D C 2.119 178.434 176.300 0.026 0.000 0.980 123 D CA 1.210 55.213 54.000 0.004 0.000 0.842 123 D CB -0.119 40.667 40.800 -0.024 0.000 0.948 123 D HN 0.266 nan 8.370 nan 0.000 0.472 124 A N 0.274 123.097 122.820 0.005 0.000 2.014 124 A HA 0.016 4.336 4.320 0.000 0.000 0.218 124 A C 2.180 179.773 177.584 0.015 0.000 1.163 124 A CA 1.051 53.094 52.037 0.009 0.000 0.652 124 A CB -0.750 18.254 19.000 0.007 0.000 0.808 124 A HN 0.541 nan 8.150 nan 0.000 0.449 125 I N -3.674 116.898 120.570 0.003 0.000 3.883 125 I HA 0.211 4.381 4.170 0.000 0.000 0.326 125 I C 0.713 176.780 176.117 -0.084 0.000 1.283 125 I CA -0.524 60.765 61.300 -0.018 0.000 1.161 125 I CB -0.602 37.460 38.000 0.103 0.000 1.012 125 I HN 0.213 nan 8.210 nan 0.000 0.421 126 H N 3.275 122.272 119.070 -0.122 0.000 3.145 126 H HA 0.068 4.624 4.556 0.000 0.000 0.288 126 H C 0.597 175.850 175.328 -0.126 0.000 0.969 126 H CA 0.916 56.893 56.048 -0.118 0.000 1.444 126 H CB -0.210 29.506 29.762 -0.078 0.000 1.500 126 H HN 0.459 nan 8.280 nan 0.000 0.552 127 N N 1.911 120.296 118.700 -0.526 0.000 2.778 127 N HA -0.294 4.446 4.740 0.000 0.000 0.249 127 N C -0.587 174.738 175.510 -0.308 0.000 1.069 127 N CA 0.572 53.356 53.050 -0.444 0.000 0.831 127 N CB -0.819 37.359 38.487 -0.514 0.000 1.142 127 N HN 0.549 nan 8.380 nan 0.000 0.573 128 S N 0.029 115.532 115.700 -0.328 0.000 2.549 128 S HA 0.258 4.728 4.470 0.000 0.000 0.286 128 S C 1.103 175.463 174.600 -0.401 0.000 1.314 128 S CA 0.836 58.808 58.200 -0.380 0.000 1.062 128 S CB 0.728 63.596 63.200 -0.553 0.000 0.865 128 S HN 0.338 nan 8.310 nan 0.000 0.498 129 D N 3.414 123.638 120.400 -0.293 0.000 2.339 129 D HA 0.173 4.813 4.640 0.000 0.000 0.217 129 D C 1.534 177.705 176.300 -0.216 0.000 1.050 129 D CA 0.209 54.078 54.000 -0.218 0.000 0.856 129 D CB -0.199 40.520 40.800 -0.136 0.000 0.922 129 D HN 0.723 nan 8.370 nan 0.000 0.518 130 K N -0.903 119.309 120.400 -0.313 0.000 2.211 130 K HA 0.188 4.508 4.320 0.000 0.000 0.203 130 K C -0.090 176.496 176.600 -0.024 0.000 1.050 130 K CA 0.697 56.887 56.287 -0.162 0.000 0.945 130 K CB -0.054 32.397 32.500 -0.082 0.000 0.732 130 K HN 0.667 nan 8.250 nan 0.000 0.451 131 F N -2.319 117.614 119.950 -0.028 0.000 2.744 131 F HA 0.381 4.909 4.527 0.000 0.000 0.311 131 F C -1.419 174.368 175.800 -0.023 0.000 1.144 131 F CA -1.718 56.264 58.000 -0.031 0.000 0.938 131 F CB 0.480 39.456 39.000 -0.040 0.000 1.292 131 F HN -0.327 nan 8.300 nan 0.000 0.444 132 N N 1.251 120.083 118.700 0.219 0.000 2.499 132 N HA 0.329 5.069 4.740 0.000 0.000 0.281 132 N C -1.667 173.949 175.510 0.176 0.000 1.098 132 N CA -0.090 53.033 53.050 0.123 0.000 0.979 132 N CB 1.579 40.081 38.487 0.025 0.000 1.121 132 N HN 0.665 nan 8.380 nan 0.000 0.466 133 F N 1.874 121.850 119.950 0.043 0.000 2.436 133 F HA 0.388 4.916 4.527 0.000 0.000 0.340 133 F C -0.513 175.250 175.800 -0.061 0.000 1.113 133 F CA -0.732 57.279 58.000 0.019 0.000 1.022 133 F CB 1.000 40.060 39.000 0.101 0.000 1.128 133 F HN 0.071 nan 8.300 nan 0.000 0.466 134 V N 7.453 126.968 119.914 -0.666 0.000 2.409 134 V HA 0.350 4.471 4.120 0.000 0.000 0.291 134 V C -0.799 175.159 176.094 -0.225 0.000 1.020 134 V CA -0.793 61.315 62.300 -0.320 0.000 0.848 134 V CB 1.387 32.996 31.823 -0.356 0.000 0.990 134 V HN 0.628 nan 8.190 nan 0.000 0.430 135 L N 9.715 131.010 121.223 0.121 0.000 2.272 135 L HA 0.740 5.080 4.340 0.000 0.000 0.289 135 L C -2.126 174.889 176.870 0.241 0.000 1.032 135 L CA -1.073 53.926 54.840 0.264 0.000 0.810 135 L CB 1.680 43.936 42.059 0.328 0.000 1.205 135 L HN 0.454 nan 8.230 nan 0.000 0.422 136 P HA 0.366 nan 4.420 nan 0.000 0.314 136 P C -0.713 176.766 177.300 0.297 0.000 1.306 136 P CA -0.416 62.828 63.100 0.241 0.000 0.782 136 P CB 1.413 33.231 31.700 0.197 0.000 1.337 137 K N -1.907 118.606 120.400 0.188 0.000 2.354 137 K HA 0.131 4.452 4.320 0.000 0.000 0.194 137 K C 0.494 177.082 176.600 -0.019 0.000 1.045 137 K CA 0.711 57.091 56.287 0.154 0.000 1.026 137 K CB -0.025 32.544 32.500 0.114 0.000 0.866 137 K HN 0.565 nan 8.250 nan 0.000 0.530 138 H N 0.133 119.122 119.070 -0.135 0.000 2.865 138 H HA 0.174 4.730 4.556 0.000 0.000 0.362 138 H C -0.039 175.187 175.328 -0.169 0.000 1.114 138 H CA -0.069 55.843 56.048 -0.226 0.000 1.208 138 H CB 1.912 31.594 29.762 -0.133 0.000 1.727 138 H HN -0.214 nan 8.280 nan 0.000 0.534 139 E N 2.156 122.257 120.200 -0.165 0.000 2.171 139 E HA -0.215 4.135 4.350 0.000 0.000 0.197 139 E C 1.876 178.525 176.600 0.080 0.000 0.997 139 E CA 1.504 57.892 56.400 -0.019 0.000 0.810 139 E CB 0.153 29.792 29.700 -0.101 0.000 0.738 139 E HN 0.621 nan 8.360 nan 0.000 0.467 140 Q N -0.150 119.813 119.800 0.271 0.000 2.135 140 Q HA -0.160 4.180 4.340 0.000 0.000 0.204 140 Q C 2.141 178.060 176.000 -0.135 0.000 0.981 140 Q CA 1.652 57.433 55.803 -0.036 0.000 0.856 140 Q CB -0.336 28.331 28.738 -0.117 0.000 0.902 140 Q HN 0.399 nan 8.270 nan 0.000 0.425 141 G N 0.120 108.926 108.800 0.010 0.000 2.422 141 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 141 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 141 G C 1.436 176.330 174.900 -0.010 0.000 1.146 141 G CA 0.809 45.921 45.100 0.020 0.000 0.769 141 G HN 0.490 nan 8.290 nan 0.000 0.547 142 A N 0.925 123.757 122.820 0.020 0.000 1.902 142 A HA 0.150 4.470 4.320 0.000 0.000 0.217 142 A C 2.692 180.214 177.584 -0.103 0.000 1.181 142 A CA 2.103 54.160 52.037 0.033 0.000 0.623 142 A CB -1.048 18.020 19.000 0.113 0.000 0.818 142 A HN 0.500 nan 8.150 nan 0.000 0.443 143 G N -1.270 107.447 108.800 -0.140 0.000 2.421 143 G HA2 -0.249 3.711 3.960 0.000 0.000 0.216 143 G HA3 -0.249 3.711 3.960 0.000 0.000 0.216 143 G C 1.487 176.260 174.900 -0.212 0.000 1.171 143 G CA 1.119 46.097 45.100 -0.203 0.000 0.775 143 G HN 0.640 nan 8.290 nan 0.000 0.543 144 H N -0.024 118.988 119.070 -0.097 0.000 2.423 144 H HA 0.124 4.680 4.556 0.000 0.000 0.297 144 H C 2.684 177.835 175.328 -0.294 0.000 1.075 144 H CA 0.963 56.931 56.048 -0.133 0.000 1.342 144 H CB -0.264 29.421 29.762 -0.128 0.000 1.395 144 H HN 0.342 nan 8.280 nan 0.000 0.530 145 M N -0.048 119.402 119.600 -0.250 0.000 2.086 145 M HA -0.101 4.379 4.480 0.000 0.000 0.261 145 M C 2.697 178.497 176.300 -0.832 0.000 1.067 145 M CA 1.476 56.488 55.300 -0.480 0.000 1.116 145 M CB -0.173 32.134 32.600 -0.488 0.000 1.348 145 M HN 0.238 nan 8.290 nan 0.000 0.407 146 A N 0.321 122.580 122.820 -0.935 0.000 1.933 146 A HA -0.189 4.131 4.320 0.000 0.000 0.218 146 A C 1.907 179.377 177.584 -0.190 0.000 1.175 146 A CA 1.787 53.403 52.037 -0.702 0.000 0.628 146 A CB -0.682 18.122 19.000 -0.326 0.000 0.814 146 A HN 0.556 nan 8.150 nan 0.000 0.444 147 E N -0.748 119.388 120.200 -0.107 0.000 2.047 147 E HA -0.109 4.241 4.350 0.000 0.000 0.191 147 E C 2.203 178.817 176.600 0.024 0.000 0.987 147 E CA 0.801 57.225 56.400 0.040 0.000 0.799 147 E CB -0.433 29.389 29.700 0.202 0.000 0.752 147 E HN 0.595 nan 8.360 nan 0.000 0.449 148 G N 0.625 109.377 108.800 -0.080 0.000 2.442 148 G HA2 -0.310 3.650 3.960 0.000 0.000 0.219 148 G HA3 -0.310 3.650 3.960 0.000 0.000 0.219 148 G C 1.420 176.314 174.900 -0.010 0.000 1.141 148 G CA 0.932 45.978 45.100 -0.089 0.000 0.763 148 G HN 0.298 nan 8.290 nan 0.000 0.554 149 Y N 1.866 122.094 120.300 -0.120 0.000 2.145 149 Y HA 0.043 4.593 4.550 0.000 0.000 0.286 149 Y C 2.877 178.789 175.900 0.020 0.000 1.145 149 Y CA 1.583 59.681 58.100 -0.003 0.000 1.148 149 Y CB -0.301 38.202 38.460 0.072 0.000 0.981 149 Y HN 0.236 nan 8.280 nan 0.000 0.507 150 A N 0.827 123.718 122.820 0.118 0.000 1.898 150 A HA -0.142 4.178 4.320 0.000 0.000 0.216 150 A C 2.258 179.813 177.584 -0.049 0.000 1.181 150 A CA 1.450 53.510 52.037 0.039 0.000 0.620 150 A CB -0.523 18.543 19.000 0.109 0.000 0.819 150 A HN 0.407 nan 8.150 nan 0.000 0.442 151 R N -0.461 120.031 120.500 -0.013 0.000 2.120 151 R HA -0.053 4.287 4.340 0.000 0.000 0.234 151 R C 2.249 178.539 176.300 -0.017 0.000 1.123 151 R CA 1.385 57.489 56.100 0.006 0.000 0.975 151 R CB -0.769 29.551 30.300 0.034 0.000 0.866 151 R HN 0.540 nan 8.270 nan 0.000 0.446 152 A N 0.235 123.012 122.820 -0.072 0.000 1.975 152 A HA -0.058 4.262 4.320 0.000 0.000 0.215 152 A C 2.098 179.572 177.584 -0.183 0.000 1.170 152 A CA 1.353 53.347 52.037 -0.070 0.000 0.656 152 A CB -0.067 18.905 19.000 -0.047 0.000 0.821 152 A HN 0.399 nan 8.150 nan 0.000 0.449 153 S N -2.827 112.687 115.700 -0.309 0.000 2.497 153 S HA 0.404 4.874 4.470 0.000 0.000 0.221 153 S C 1.501 175.934 174.600 -0.280 0.000 1.037 153 S CA 1.193 59.187 58.200 -0.342 0.000 0.920 153 S CB 0.107 62.971 63.200 -0.560 0.000 0.800 153 S HN 1.813 nan 8.310 nan 0.000 0.505 154 G N 1.147 109.801 108.800 -0.243 0.000 2.176 154 G HA2 -0.234 3.726 3.960 0.000 0.000 0.253 154 G HA3 -0.234 3.726 3.960 0.000 0.000 0.253 154 G C -0.120 174.734 174.900 -0.077 0.000 0.979 154 G CA 0.311 45.304 45.100 -0.178 0.000 0.641 154 G HN 0.628 nan 8.290 nan 0.000 0.530 155 K N 1.404 121.771 120.400 -0.055 0.000 2.156 155 K HA 0.559 4.879 4.320 0.000 0.000 0.250 155 K C -2.411 174.294 176.600 0.175 0.000 0.955 155 K CA -2.073 54.262 56.287 0.080 0.000 0.855 155 K CB 2.092 34.678 32.500 0.145 0.000 1.101 155 K HN 0.035 nan 8.250 nan 0.000 0.434 156 P HA -0.007 nan 4.420 nan 0.000 0.271 156 P C -0.365 177.098 177.300 0.272 0.000 1.216 156 P CA -0.216 62.994 63.100 0.184 0.000 0.771 156 P CB 0.689 32.468 31.700 0.131 0.000 0.864 157 G N 2.175 111.102 108.800 0.212 0.000 2.353 157 G HA2 0.422 4.382 3.960 0.000 0.000 0.284 157 G HA3 0.422 4.382 3.960 0.000 0.000 0.284 157 G C -0.525 174.443 174.900 0.114 0.000 1.172 157 G CA -0.382 44.845 45.100 0.213 0.000 0.854 157 G HN 0.356 nan 8.290 nan 0.000 0.485 158 V N 3.122 123.127 119.914 0.152 0.000 2.398 158 V HA 0.391 4.511 4.120 0.000 0.000 0.286 158 V C 0.008 176.222 176.094 0.200 0.000 1.026 158 V CA -0.605 61.792 62.300 0.162 0.000 0.868 158 V CB 1.435 33.375 31.823 0.195 0.000 0.982 158 V HN 0.506 nan 8.190 nan 0.000 0.443 159 V N 5.996 126.023 119.914 0.188 0.000 2.628 159 V HA 0.559 4.679 4.120 0.000 0.000 0.306 159 V C -0.602 175.654 176.094 0.269 0.000 1.045 159 V CA -0.659 61.751 62.300 0.183 0.000 0.905 159 V CB 1.894 33.772 31.823 0.090 0.000 0.997 159 V HN 0.663 nan 8.190 nan 0.000 0.436 160 L N 6.897 128.271 121.223 0.252 0.000 2.427 160 L HA 0.746 5.086 4.340 0.000 0.000 0.264 160 L C -0.452 176.620 176.870 0.335 0.000 0.989 160 L CA -0.067 54.941 54.840 0.281 0.000 0.865 160 L CB 1.427 43.603 42.059 0.196 0.000 1.209 160 L HN 0.579 nan 8.230 nan 0.000 0.430 161 V N 0.650 120.715 119.914 0.252 0.000 3.181 161 V HA 0.750 4.870 4.120 0.000 0.000 0.314 161 V C 0.128 176.314 176.094 0.154 0.000 1.173 161 V CA -0.449 61.983 62.300 0.219 0.000 1.052 161 V CB 1.562 33.462 31.823 0.128 0.000 1.123 161 V HN 0.618 nan 8.190 nan 0.000 0.454 162 T N 0.529 115.138 114.554 0.092 0.000 2.852 162 T HA 0.519 4.869 4.350 0.000 0.000 0.281 162 T C 0.577 175.270 174.700 -0.011 0.000 0.993 162 T CA 0.362 62.482 62.100 0.032 0.000 0.933 162 T CB 1.119 69.984 68.868 -0.005 0.000 1.187 162 T HN 1.536 nan 8.240 nan 0.000 0.559 163 S N -0.023 115.651 115.700 -0.044 0.000 2.633 163 S HA 0.576 5.046 4.470 0.000 0.000 0.257 163 S C 1.334 175.866 174.600 -0.114 0.000 1.265 163 S CA 0.027 58.182 58.200 -0.073 0.000 0.980 163 S CB -0.202 62.947 63.200 -0.084 0.000 1.017 163 S HN 1.606 nan 8.310 nan 0.000 0.577 164 G N 1.464 110.189 108.800 -0.125 0.000 2.634 164 G HA2 -0.294 3.666 3.960 0.000 0.000 0.318 164 G HA3 -0.294 3.666 3.960 0.000 0.000 0.318 164 G C -1.012 173.813 174.900 -0.124 0.000 1.207 164 G CA 0.421 45.433 45.100 -0.146 0.000 0.987 164 G HN 0.765 nan 8.290 nan 0.000 0.547 165 P HA -0.024 nan 4.420 nan 0.000 0.220 165 P C 1.911 179.132 177.300 -0.132 0.000 1.148 165 P CA 2.507 65.530 63.100 -0.128 0.000 0.803 165 P CB -0.671 30.946 31.700 -0.138 0.000 0.782 166 G N 0.726 109.456 108.800 -0.117 0.000 2.418 166 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 166 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 166 G C 1.812 176.671 174.900 -0.068 0.000 1.158 166 G CA 1.045 46.090 45.100 -0.092 0.000 0.771 166 G HN 0.372 nan 8.290 nan 0.000 0.545 167 A N 0.779 123.562 122.820 -0.063 0.000 1.897 167 A HA 0.027 4.347 4.320 0.000 0.000 0.215 167 A C 2.646 180.192 177.584 -0.063 0.000 1.181 167 A CA 2.524 54.528 52.037 -0.055 0.000 0.620 167 A CB -1.079 17.887 19.000 -0.057 0.000 0.821 167 A HN 0.509 nan 8.150 nan 0.000 0.443 168 T N -1.700 112.812 114.554 -0.070 0.000 2.881 168 T HA -0.135 4.216 4.350 0.000 0.000 0.270 168 T C 1.414 176.086 174.700 -0.047 0.000 1.068 168 T CA 1.485 63.548 62.100 -0.062 0.000 1.131 168 T CB -0.545 68.285 68.868 -0.062 0.000 0.871 168 T HN 0.333 nan 8.240 nan 0.000 0.479 169 N N 1.541 120.210 118.700 -0.051 0.000 2.550 169 N HA 0.007 4.748 4.740 0.000 0.000 0.186 169 N C 1.580 177.087 175.510 -0.005 0.000 1.110 169 N CA 0.973 54.020 53.050 -0.004 0.000 0.912 169 N CB 0.098 38.533 38.487 -0.086 0.000 0.968 169 N HN 0.670 nan 8.380 nan 0.000 0.448 170 V N -3.538 116.350 119.914 -0.043 0.000 3.483 170 V HA 0.230 4.350 4.120 0.000 0.000 0.301 170 V C 1.656 177.706 176.094 -0.074 0.000 1.389 170 V CA 0.011 62.271 62.300 -0.067 0.000 1.101 170 V CB -0.158 31.630 31.823 -0.058 0.000 0.971 170 V HN -0.169 nan 8.190 nan 0.000 0.434 171 V N 1.282 121.159 119.914 -0.062 0.000 2.358 171 V HA -0.209 3.911 4.120 0.000 0.000 0.246 171 V C 2.759 178.821 176.094 -0.053 0.000 1.047 171 V CA 2.960 65.222 62.300 -0.064 0.000 1.035 171 V CB -0.996 30.790 31.823 -0.061 0.000 0.658 171 V HN 0.660 nan 8.190 nan 0.000 0.452 172 T N 0.305 114.834 114.554 -0.042 0.000 2.674 172 T HA -0.109 4.241 4.350 0.000 0.000 0.265 172 T C -0.029 174.675 174.700 0.007 0.000 1.039 172 T CA 2.005 64.100 62.100 -0.008 0.000 1.150 172 T CB -1.159 67.722 68.868 0.022 0.000 0.864 172 T HN 0.421 nan 8.240 nan 0.000 0.427 173 P HA 0.011 nan 4.420 nan 0.000 0.218 173 P C 1.571 178.869 177.300 -0.003 0.000 1.148 173 P CA 1.119 64.159 63.100 -0.100 0.000 0.822 173 P CB -0.119 31.392 31.700 -0.316 0.000 0.784 174 M N -1.370 118.214 119.600 -0.028 0.000 2.156 174 M HA -0.083 4.397 4.480 0.000 0.000 0.264 174 M C 2.159 178.481 176.300 0.037 0.000 1.067 174 M CA 1.848 57.143 55.300 -0.007 0.000 1.131 174 M CB -0.837 31.731 32.600 -0.053 0.000 1.368 174 M HN -0.100 nan 8.290 nan 0.000 0.416 175 A N 0.029 122.855 122.820 0.010 0.000 1.933 175 A HA -0.220 4.100 4.320 0.000 0.000 0.218 175 A C 1.917 179.558 177.584 0.095 0.000 1.175 175 A CA 1.940 53.999 52.037 0.037 0.000 0.628 175 A CB -0.848 18.148 19.000 -0.006 0.000 0.814 175 A HN 0.541 nan 8.150 nan 0.000 0.444 176 D N 0.004 120.445 120.400 0.068 0.000 2.117 176 D HA -0.057 4.583 4.640 0.000 0.000 0.198 176 D C 2.078 178.399 176.300 0.035 0.000 0.982 176 D CA 1.303 55.326 54.000 0.037 0.000 0.828 176 D CB -0.038 40.806 40.800 0.073 0.000 0.967 176 D HN 0.337 nan 8.370 nan 0.000 0.464 177 A N -0.010 122.856 122.820 0.077 0.000 1.969 177 A HA -0.114 4.206 4.320 0.000 0.000 0.218 177 A C 1.994 179.628 177.584 0.082 0.000 1.169 177 A CA 0.592 52.669 52.037 0.066 0.000 0.635 177 A CB -0.892 18.150 19.000 0.070 0.000 0.810 177 A HN 0.349 nan 8.150 nan 0.000 0.445 178 F N 0.860 120.793 119.950 -0.028 0.000 2.146 178 F HA 0.002 4.529 4.527 0.000 0.000 0.298 178 F C 2.487 178.270 175.800 -0.029 0.000 1.096 178 F CA 1.041 59.027 58.000 -0.024 0.000 1.275 178 F CB -0.317 38.669 39.000 -0.025 0.000 1.008 178 F HN 0.238 nan 8.300 nan 0.000 0.480 179 A N -0.661 122.198 122.820 0.066 0.000 1.930 179 A HA -0.138 4.182 4.320 0.000 0.000 0.217 179 A C 1.566 179.087 177.584 -0.105 0.000 1.175 179 A CA 1.882 53.897 52.037 -0.035 0.000 0.627 179 A CB -0.647 18.352 19.000 -0.001 0.000 0.815 179 A HN 0.383 nan 8.150 nan 0.000 0.443 180 D N -1.079 119.265 120.400 -0.094 0.000 2.363 180 D HA 0.293 4.933 4.640 0.000 0.000 0.214 180 D C 1.020 177.265 176.300 -0.092 0.000 1.093 180 D CA 0.828 54.766 54.000 -0.104 0.000 0.837 180 D CB -0.037 40.690 40.800 -0.122 0.000 0.948 180 D HN 0.503 nan 8.370 nan 0.000 0.507 181 G N 1.771 110.503 108.800 -0.114 0.000 2.350 181 G HA2 -0.289 3.671 3.960 0.000 0.000 0.298 181 G HA3 -0.289 3.671 3.960 0.000 0.000 0.298 181 G C 0.145 175.018 174.900 -0.045 0.000 1.037 181 G CA -0.094 44.946 45.100 -0.100 0.000 1.074 181 G HN 0.370 nan 8.290 nan 0.000 0.511 182 I N 1.656 122.214 120.570 -0.020 0.000 2.336 182 I HA 0.298 4.468 4.170 0.000 0.000 0.292 182 I C -1.676 174.451 176.117 0.016 0.000 0.991 182 I CA -2.607 58.698 61.300 0.008 0.000 1.227 182 I CB 1.919 39.936 38.000 0.028 0.000 1.366 182 I HN -0.021 nan 8.210 nan 0.000 0.466 183 P HA 0.163 nan 4.420 nan 0.000 0.271 183 P C -0.965 176.342 177.300 0.011 0.000 1.233 183 P CA -0.162 62.947 63.100 0.015 0.000 0.764 183 P CB 1.179 32.896 31.700 0.028 0.000 0.825 184 M N 3.732 123.314 119.600 -0.030 0.000 2.365 184 M HA 0.306 4.786 4.480 0.000 0.000 0.288 184 M C -2.031 174.172 176.300 -0.161 0.000 1.152 184 M CA -0.772 54.493 55.300 -0.058 0.000 0.948 184 M CB 2.322 34.908 32.600 -0.024 0.000 1.729 184 M HN -0.067 nan 8.290 nan 0.000 0.487 185 V N 5.014 124.775 119.914 -0.255 0.000 2.350 185 V HA 0.463 4.583 4.120 0.000 0.000 0.285 185 V C -0.681 175.185 176.094 -0.381 0.000 1.014 185 V CA -0.687 61.341 62.300 -0.452 0.000 0.831 185 V CB 1.503 32.819 31.823 -0.844 0.000 1.000 185 V HN 0.656 nan 8.190 nan 0.000 0.433 186 V N 5.943 125.634 119.914 -0.372 0.000 2.350 186 V HA 0.455 4.575 4.120 0.000 0.000 0.276 186 V C -0.431 175.459 176.094 -0.340 0.000 1.028 186 V CA -0.319 61.839 62.300 -0.237 0.000 0.860 186 V CB 0.998 32.740 31.823 -0.134 0.000 0.990 186 V HN 0.654 nan 8.190 nan 0.000 0.453 187 F N 3.288 123.267 119.950 0.048 0.000 2.385 187 F HA 0.516 5.043 4.527 0.000 0.000 0.360 187 F C 0.844 176.653 175.800 0.015 0.000 1.122 187 F CA -0.467 57.565 58.000 0.053 0.000 1.090 187 F CB 1.742 40.806 39.000 0.107 0.000 1.150 187 F HN 0.499 nan 8.300 nan 0.000 0.472 188 T N 0.363 114.996 114.554 0.132 0.000 2.807 188 T HA 0.679 5.029 4.350 0.000 0.000 0.279 188 T C 0.246 174.981 174.700 0.057 0.000 0.993 188 T CA -0.952 61.190 62.100 0.070 0.000 0.970 188 T CB 1.495 70.366 68.868 0.005 0.000 0.950 188 T HN 0.731 nan 8.240 nan 0.000 0.441 189 G N 1.321 110.148 108.800 0.045 0.000 2.527 189 G HA2 0.481 4.441 3.960 0.000 0.000 0.248 189 G HA3 0.481 4.441 3.960 0.000 0.000 0.248 189 G C -0.594 174.305 174.900 -0.002 0.000 1.231 189 G CA -0.259 44.853 45.100 0.021 0.000 0.838 189 G HN 0.845 nan 8.290 nan 0.000 0.570 190 Q N -0.463 119.333 119.800 -0.007 0.000 2.456 190 Q HA 0.499 4.839 4.340 0.000 0.000 0.283 190 Q C -0.046 175.945 176.000 -0.015 0.000 1.084 190 Q CA -0.742 55.049 55.803 -0.019 0.000 0.801 190 Q CB 1.982 30.710 28.738 -0.016 0.000 1.434 190 Q HN 0.925 nan 8.270 nan 0.000 0.419 191 V N 0.152 120.054 119.914 -0.020 0.000 3.287 191 V HA 0.519 4.639 4.120 0.000 0.000 0.306 191 V C -2.191 173.905 176.094 0.004 0.000 1.103 191 V CA -1.376 60.922 62.300 -0.003 0.000 1.159 191 V CB -0.361 31.461 31.823 -0.001 0.000 1.036 191 V HN 0.790 nan 8.190 nan 0.000 0.487 192 P HA 0.084 nan 4.420 nan 0.000 0.266 192 P C 1.206 178.511 177.300 0.008 0.000 1.193 192 P CA 0.888 63.995 63.100 0.012 0.000 0.770 192 P CB 0.358 32.067 31.700 0.015 0.000 0.836 193 T N -1.232 113.327 114.554 0.008 0.000 2.778 193 T HA -0.209 4.141 4.350 0.000 0.000 0.269 193 T C 1.627 176.330 174.700 0.006 0.000 1.050 193 T CA 1.808 63.912 62.100 0.006 0.000 1.137 193 T CB -1.160 67.714 68.868 0.009 0.000 0.860 193 T HN 0.452 nan 8.240 nan 0.000 0.468 194 S N 1.325 117.030 115.700 0.008 0.000 2.515 194 S HA 0.388 4.858 4.470 0.000 0.000 0.231 194 S C 2.071 176.676 174.600 0.008 0.000 0.987 194 S CA 0.286 58.491 58.200 0.008 0.000 0.936 194 S CB -0.401 62.804 63.200 0.008 0.000 0.766 194 S HN 0.754 nan 8.310 nan 0.000 0.528 195 A N 0.696 123.522 122.820 0.010 0.000 2.303 195 A HA 0.496 4.816 4.320 0.000 0.000 0.217 195 A C 0.716 178.305 177.584 0.007 0.000 1.205 195 A CA -0.451 51.593 52.037 0.013 0.000 0.875 195 A CB -0.257 18.756 19.000 0.022 0.000 0.910 195 A HN 0.534 nan 8.150 nan 0.000 0.501 196 I N 0.606 121.177 120.570 0.001 0.000 2.683 196 I HA 0.258 4.429 4.170 0.000 0.000 0.286 196 I C 1.492 177.605 176.117 -0.006 0.000 1.175 196 I CA 1.375 62.671 61.300 -0.006 0.000 1.429 196 I CB 0.434 38.428 38.000 -0.009 0.000 1.371 196 I HN 0.455 nan 8.210 nan 0.000 0.569 197 G N 3.899 112.694 108.800 -0.009 0.000 2.141 197 G HA2 -0.264 3.697 3.960 0.000 0.000 0.242 197 G HA3 -0.264 3.697 3.960 0.000 0.000 0.242 197 G C 0.550 175.448 174.900 -0.004 0.000 0.982 197 G CA 0.384 45.479 45.100 -0.009 0.000 0.662 197 G HN 0.783 nan 8.290 nan 0.000 0.527 198 T N -2.335 112.219 114.554 0.000 0.000 3.132 198 T HA 0.411 4.761 4.350 0.000 0.000 0.274 198 T C 0.492 175.197 174.700 0.009 0.000 1.011 198 T CA 0.824 62.927 62.100 0.005 0.000 0.899 198 T CB 0.245 69.118 68.868 0.009 0.000 1.089 198 T HN 0.502 nan 8.240 nan 0.000 0.543 199 D N 1.271 121.673 120.400 0.004 0.000 2.699 199 D HA -0.123 4.517 4.640 0.000 0.000 0.239 199 D C 0.488 176.803 176.300 0.025 0.000 1.136 199 D CA 0.870 54.875 54.000 0.007 0.000 0.668 199 D CB -1.595 39.210 40.800 0.008 0.000 1.060 199 D HN 0.845 nan 8.370 nan 0.000 0.429 200 A N -0.018 122.818 122.820 0.027 0.000 2.346 200 A HA 0.393 4.713 4.320 0.000 0.000 0.252 200 A C 0.366 178.004 177.584 0.089 0.000 1.089 200 A CA -0.395 51.679 52.037 0.061 0.000 0.797 200 A CB 0.260 19.289 19.000 0.049 0.000 1.047 200 A HN 0.214 nan 8.150 nan 0.000 0.494 201 F N 1.059 121.000 119.950 -0.016 0.000 2.590 201 F HA 0.133 4.660 4.527 0.000 0.000 0.389 201 F C 1.169 176.958 175.800 -0.018 0.000 1.049 201 F CA 1.107 59.097 58.000 -0.017 0.000 1.199 201 F CB -0.430 38.560 39.000 -0.017 0.000 1.058 201 F HN 0.774 nan 8.300 nan 0.000 0.556 202 Q N 2.233 121.645 119.800 -0.646 0.000 2.475 202 Q HA -0.301 4.039 4.340 0.000 0.000 0.280 202 Q C -0.244 175.594 176.000 -0.270 0.000 1.234 202 Q CA 1.198 56.659 55.803 -0.570 0.000 0.873 202 Q CB -1.355 26.887 28.738 -0.827 0.000 1.256 202 Q HN 0.859 nan 8.270 nan 0.000 0.475 203 E N -0.041 120.063 120.200 -0.160 0.000 2.191 203 E HA 0.687 5.037 4.350 0.000 0.000 0.278 203 E C -0.947 175.603 176.600 -0.084 0.000 0.972 203 E CA 0.029 56.372 56.400 -0.095 0.000 0.804 203 E CB 1.250 30.920 29.700 -0.051 0.000 1.110 203 E HN 0.307 nan 8.360 nan 0.000 0.394 204 A N 3.723 126.497 122.820 -0.077 0.000 2.515 204 A HA 0.258 4.578 4.320 0.000 0.000 0.298 204 A C -1.132 176.414 177.584 -0.063 0.000 1.059 204 A CA -0.812 51.183 52.037 -0.069 0.000 0.698 204 A CB 1.699 20.653 19.000 -0.078 0.000 1.289 204 A HN 0.692 nan 8.150 nan 0.000 0.404 205 D N 2.458 122.823 120.400 -0.059 0.000 2.551 205 D HA 0.189 4.829 4.640 0.000 0.000 0.223 205 D C 1.467 177.724 176.300 -0.072 0.000 1.144 205 D CA 0.436 54.400 54.000 -0.061 0.000 1.025 205 D CB 0.275 41.042 40.800 -0.055 0.000 1.085 205 D HN 0.514 nan 8.370 nan 0.000 0.506 206 V N 1.312 121.181 119.914 -0.076 0.000 2.515 206 V HA -0.157 3.963 4.120 0.000 0.000 0.250 206 V C 1.977 178.008 176.094 -0.104 0.000 1.058 206 V CA 0.979 63.227 62.300 -0.086 0.000 1.064 206 V CB -0.607 31.167 31.823 -0.082 0.000 0.675 206 V HN 0.259 nan 8.190 nan 0.000 0.461 207 V N 1.833 121.681 119.914 -0.109 0.000 2.427 207 V HA -0.061 4.060 4.120 0.000 0.000 0.248 207 V C 2.846 178.866 176.094 -0.124 0.000 1.051 207 V CA 2.239 64.458 62.300 -0.136 0.000 1.048 207 V CB -1.262 30.479 31.823 -0.138 0.000 0.666 207 V HN 0.663 nan 8.190 nan 0.000 0.456 208 G N -0.344 108.396 108.800 -0.099 0.000 2.394 208 G HA2 -0.152 3.808 3.960 0.000 0.000 0.214 208 G HA3 -0.152 3.808 3.960 0.000 0.000 0.214 208 G C 1.563 176.407 174.900 -0.094 0.000 1.176 208 G CA 0.735 45.782 45.100 -0.088 0.000 0.786 208 G HN 0.464 nan 8.290 nan 0.000 0.533 209 I N 1.857 122.372 120.570 -0.092 0.000 2.208 209 I HA -0.180 3.990 4.170 0.000 0.000 0.245 209 I C 2.760 178.807 176.117 -0.115 0.000 1.097 209 I CA 1.650 62.895 61.300 -0.093 0.000 1.363 209 I CB -0.128 37.822 38.000 -0.084 0.000 1.051 209 I HN 0.330 nan 8.210 nan 0.000 0.413 210 S N 0.448 116.070 115.700 -0.130 0.000 2.575 210 S HA 0.128 4.599 4.470 0.000 0.000 0.215 210 S C 2.199 176.683 174.600 -0.192 0.000 0.966 210 S CA 0.300 58.405 58.200 -0.159 0.000 0.911 210 S CB -0.320 62.791 63.200 -0.149 0.000 0.780 210 S HN 0.407 nan 8.310 nan 0.000 0.514 211 R N 2.387 122.785 120.500 -0.169 0.000 2.096 211 R HA -0.069 4.271 4.340 0.000 0.000 0.240 211 R C 2.526 178.696 176.300 -0.216 0.000 1.139 211 R CA 2.235 58.236 56.100 -0.166 0.000 0.952 211 R CB -2.012 28.215 30.300 -0.122 0.000 0.854 211 R HN 0.860 nan 8.270 nan 0.000 0.436 212 S N -0.697 114.860 115.700 -0.239 0.000 2.561 212 S HA -0.026 4.444 4.470 0.000 0.000 0.225 212 S C 1.659 175.861 174.600 -0.664 0.000 0.977 212 S CA 0.664 58.671 58.200 -0.322 0.000 0.926 212 S CB -0.989 62.090 63.200 -0.202 0.000 0.769 212 S HN 1.017 nan 8.310 nan 0.000 0.533 213 C N 1.056 119.974 119.300 -0.636 0.000 2.976 213 C HA 0.625 5.085 4.460 0.000 0.000 0.274 213 C C 0.565 175.158 174.990 -0.661 0.000 1.487 213 C CA -0.305 58.206 59.018 -0.845 0.000 1.789 213 C CB -1.558 25.964 27.740 -0.364 0.000 2.771 213 C HN 0.531 nan 8.230 nan 0.000 0.551 214 T N -3.105 111.118 114.554 -0.553 0.000 2.903 214 T HA 0.447 4.797 4.350 0.000 0.000 0.299 214 T C 0.240 175.016 174.700 0.125 0.000 1.093 214 T CA -0.528 61.518 62.100 -0.091 0.000 1.002 214 T CB 1.728 70.545 68.868 -0.085 0.000 1.127 214 T HN 0.198 nan 8.240 nan 0.000 0.488 215 K N -0.168 120.433 120.400 0.335 0.000 2.217 215 K HA 0.127 4.447 4.320 0.000 0.000 0.202 215 K C -0.203 176.597 176.600 0.334 0.000 1.051 215 K CA 0.722 57.224 56.287 0.358 0.000 0.952 215 K CB 0.144 32.790 32.500 0.244 0.000 0.736 215 K HN 0.679 nan 8.250 nan 0.000 0.453 216 W N 0.698 122.014 121.300 0.026 0.000 3.319 216 W HA 0.161 4.821 4.660 0.000 0.000 0.300 216 W C -2.181 174.315 176.519 -0.039 0.000 1.244 216 W CA -0.921 56.420 57.345 -0.006 0.000 1.193 216 W CB 0.805 30.266 29.460 0.001 0.000 1.359 216 W HN 0.006 nan 8.180 nan 0.000 0.568 217 N N 2.821 121.080 118.700 -0.735 0.000 2.732 217 N HA 0.790 5.530 4.740 0.000 0.000 0.259 217 N C -2.197 172.627 175.510 -1.144 0.000 1.402 217 N CA -0.606 51.981 53.050 -0.772 0.000 0.829 217 N CB 2.254 40.508 38.487 -0.389 0.000 1.495 217 N HN 0.782 nan 8.380 nan 0.000 0.511 218 V N -0.868 118.587 119.914 -0.764 0.000 3.234 218 V HA 0.554 4.675 4.120 0.000 0.000 0.280 218 V C -1.796 174.135 176.094 -0.272 0.000 1.580 218 V CA -0.886 61.078 62.300 -0.560 0.000 1.032 218 V CB 2.069 33.487 31.823 -0.676 0.000 1.203 218 V HN 0.936 nan 8.190 nan 0.000 0.459 219 M N 4.924 124.430 119.600 -0.157 0.000 2.167 219 M HA 0.603 5.083 4.480 0.000 0.000 0.333 219 M C -1.240 175.049 176.300 -0.018 0.000 1.030 219 M CA -0.660 54.596 55.300 -0.073 0.000 0.963 219 M CB 1.525 34.089 32.600 -0.061 0.000 1.589 219 M HN 0.593 nan 8.290 nan 0.000 0.431 220 V N 6.905 126.834 119.914 0.024 0.000 2.485 220 V HA 0.057 4.177 4.120 0.000 0.000 0.287 220 V C 1.044 177.164 176.094 0.044 0.000 1.022 220 V CA 0.056 62.392 62.300 0.060 0.000 1.067 220 V CB 0.386 32.269 31.823 0.100 0.000 0.967 220 V HN 0.862 nan 8.190 nan 0.000 0.479 221 K N 2.722 123.149 120.400 0.044 0.000 2.262 221 K HA 0.123 4.444 4.320 0.000 0.000 0.200 221 K C 0.767 177.391 176.600 0.039 0.000 1.049 221 K CA 0.657 56.965 56.287 0.034 0.000 0.979 221 K CB 0.379 32.898 32.500 0.031 0.000 0.773 221 K HN 0.813 nan 8.250 nan 0.000 0.474 222 S N -1.549 114.181 115.700 0.051 0.000 2.570 222 S HA 0.209 4.679 4.470 0.000 0.000 0.270 222 S C 0.623 175.261 174.600 0.064 0.000 1.149 222 S CA -0.701 57.530 58.200 0.051 0.000 0.837 222 S CB 1.764 64.993 63.200 0.048 0.000 1.124 222 S HN -0.186 nan 8.310 nan 0.000 0.465 223 V N 1.236 121.184 119.914 0.058 0.000 2.594 223 V HA -0.084 4.036 4.120 0.000 0.000 0.253 223 V C 2.098 178.243 176.094 0.085 0.000 1.069 223 V CA 2.478 64.817 62.300 0.066 0.000 1.082 223 V CB -1.065 30.788 31.823 0.050 0.000 0.680 223 V HN 0.949 nan 8.190 nan 0.000 0.469 224 E N 0.912 121.160 120.200 0.080 0.000 2.160 224 E HA -0.234 4.116 4.350 0.000 0.000 0.195 224 E C 1.959 178.622 176.600 0.105 0.000 0.991 224 E CA 1.702 58.157 56.400 0.091 0.000 0.810 224 E CB -0.159 29.584 29.700 0.072 0.000 0.742 224 E HN 0.962 nan 8.360 nan 0.000 0.466 225 E N -0.108 120.153 120.200 0.103 0.000 2.474 225 E HA 0.014 4.364 4.350 0.000 0.000 0.195 225 E C 1.591 178.279 176.600 0.146 0.000 1.039 225 E CA -0.131 56.340 56.400 0.119 0.000 0.881 225 E CB 0.008 29.773 29.700 0.110 0.000 0.970 225 E HN 0.103 nan 8.360 nan 0.000 0.486 226 L N 2.064 123.374 121.223 0.145 0.000 2.012 226 L HA -0.038 4.302 4.340 0.000 0.000 0.210 226 L C -0.786 176.201 176.870 0.195 0.000 1.073 226 L CA 1.997 56.939 54.840 0.169 0.000 0.748 226 L CB -0.900 41.241 42.059 0.138 0.000 0.891 226 L HN 0.053 nan 8.230 nan 0.000 0.431 227 P HA -0.158 nan 4.420 nan 0.000 0.216 227 P C 1.958 179.367 177.300 0.183 0.000 1.153 227 P CA 1.167 64.389 63.100 0.203 0.000 0.848 227 P CB -0.123 31.737 31.700 0.267 0.000 0.787 228 L N -0.528 120.795 121.223 0.166 0.000 2.017 228 L HA -0.139 4.201 4.340 0.000 0.000 0.208 228 L C 2.183 179.171 176.870 0.197 0.000 1.073 228 L CA 2.019 56.949 54.840 0.149 0.000 0.745 228 L CB -0.821 41.315 42.059 0.128 0.000 0.894 228 L HN -0.218 nan 8.230 nan 0.000 0.432 229 R N -0.033 120.616 120.500 0.249 0.000 2.096 229 R HA -0.049 4.291 4.340 0.000 0.000 0.235 229 R C 2.325 178.861 176.300 0.393 0.000 1.127 229 R CA 1.780 58.092 56.100 0.353 0.000 0.968 229 R CB -1.056 29.435 30.300 0.319 0.000 0.861 229 R HN 0.476 nan 8.270 nan 0.000 0.440 230 I N 1.374 122.170 120.570 0.376 0.000 2.179 230 I HA -0.276 3.894 4.170 0.000 0.000 0.242 230 I C 1.785 178.174 176.117 0.452 0.000 1.088 230 I CA 1.161 62.752 61.300 0.484 0.000 1.357 230 I CB -0.348 37.886 38.000 0.390 0.000 1.051 230 I HN 0.136 nan 8.210 nan 0.000 0.409 231 N N 0.829 119.694 118.700 0.275 0.000 2.166 231 N HA -0.182 4.558 4.740 0.000 0.000 0.186 231 N C 1.701 177.308 175.510 0.163 0.000 1.019 231 N CA 1.335 54.502 53.050 0.194 0.000 0.856 231 N CB -0.236 38.314 38.487 0.105 0.000 0.993 231 N HN 0.477 nan 8.380 nan 0.000 0.426 232 E N 0.848 121.113 120.200 0.108 0.000 2.072 232 E HA -0.060 4.290 4.350 0.000 0.000 0.191 232 E C 2.019 178.562 176.600 -0.095 0.000 0.985 232 E CA 0.944 57.288 56.400 -0.093 0.000 0.801 232 E CB -0.079 29.467 29.700 -0.257 0.000 0.750 232 E HN 0.321 nan 8.360 nan 0.000 0.452 233 A N 1.146 124.071 122.820 0.176 0.000 1.865 233 A HA -0.193 4.127 4.320 0.000 0.000 0.217 233 A C 1.951 179.558 177.584 0.037 0.000 1.191 233 A CA 1.343 53.506 52.037 0.209 0.000 0.623 233 A CB -0.932 18.188 19.000 0.199 0.000 0.826 233 A HN 0.179 nan 8.150 nan 0.000 0.444 234 F N -0.134 119.861 119.950 0.076 0.000 2.171 234 F HA -0.136 4.391 4.527 0.000 0.000 0.300 234 F C 2.406 178.217 175.800 0.017 0.000 1.090 234 F CA 1.816 59.848 58.000 0.053 0.000 1.293 234 F CB -0.194 38.843 39.000 0.062 0.000 1.013 234 F HN 0.427 nan 8.300 nan 0.000 0.486 235 E N 0.583 120.875 120.200 0.154 0.000 2.072 235 E HA -0.178 4.172 4.350 0.000 0.000 0.191 235 E C 2.244 178.839 176.600 -0.007 0.000 0.985 235 E CA 1.234 57.666 56.400 0.053 0.000 0.801 235 E CB -0.189 29.512 29.700 0.002 0.000 0.750 235 E HN 0.408 nan 8.360 nan 0.000 0.452 236 I N 0.803 121.336 120.570 -0.061 0.000 2.353 236 I HA -0.181 3.989 4.170 0.000 0.000 0.248 236 I C 2.481 178.591 176.117 -0.012 0.000 1.119 236 I CA 0.805 62.058 61.300 -0.077 0.000 1.417 236 I CB -0.203 37.696 38.000 -0.168 0.000 1.078 236 I HN 0.170 nan 8.210 nan 0.000 0.421 237 A N 0.565 123.382 122.820 -0.005 0.000 1.930 237 A HA -0.174 4.146 4.320 0.000 0.000 0.217 237 A C 2.246 179.834 177.584 0.006 0.000 1.175 237 A CA 2.136 54.167 52.037 -0.009 0.000 0.627 237 A CB -0.882 18.070 19.000 -0.080 0.000 0.815 237 A HN 0.494 nan 8.150 nan 0.000 0.443 238 T N -2.245 112.323 114.554 0.024 0.000 3.105 238 T HA 0.309 4.659 4.350 0.000 0.000 0.253 238 T C 0.640 175.354 174.700 0.024 0.000 1.047 238 T CA 0.478 62.599 62.100 0.036 0.000 0.944 238 T CB -0.448 68.462 68.868 0.070 0.000 1.016 238 T HN 0.535 nan 8.240 nan 0.000 0.544 239 S N -0.492 115.215 115.700 0.012 0.000 2.726 239 S HA 0.801 5.271 4.470 0.000 0.000 0.308 239 S C 1.010 175.610 174.600 -0.000 0.000 1.115 239 S CA -0.239 57.965 58.200 0.006 0.000 0.965 239 S CB 1.122 64.320 63.200 -0.003 0.000 1.145 239 S HN 1.003 nan 8.310 nan 0.000 0.532 240 G N 1.517 110.318 108.800 0.001 0.000 2.634 240 G HA2 -0.322 3.639 3.960 0.000 0.000 0.309 240 G HA3 -0.322 3.639 3.960 0.000 0.000 0.309 240 G C -0.123 174.773 174.900 -0.007 0.000 1.265 240 G CA 0.467 45.564 45.100 -0.004 0.000 0.998 240 G HN 1.047 nan 8.290 nan 0.000 0.551 241 R N 1.708 122.195 120.500 -0.023 0.000 2.216 241 R HA 0.455 4.795 4.340 0.000 0.000 0.332 241 R C -2.225 174.053 176.300 -0.037 0.000 1.056 241 R CA -1.447 54.631 56.100 -0.036 0.000 0.901 241 R CB 0.645 30.905 30.300 -0.066 0.000 1.039 241 R HN 0.268 nan 8.270 nan 0.000 0.456 242 P HA 0.093 nan 4.420 nan 0.000 0.269 242 P C -0.581 176.700 177.300 -0.030 0.000 1.211 242 P CA 0.140 63.232 63.100 -0.014 0.000 0.781 242 P CB 0.793 32.491 31.700 -0.002 0.000 0.877 243 G N 0.535 109.333 108.800 -0.005 0.000 2.441 243 G HA2 0.473 4.433 3.960 0.000 0.000 0.294 243 G HA3 0.473 4.433 3.960 0.000 0.000 0.294 243 G C -3.338 171.594 174.900 0.052 0.000 1.393 243 G CA -0.868 44.242 45.100 0.017 0.000 0.796 243 G HN 0.274 nan 8.290 nan 0.000 0.494 244 P HA 0.547 nan 4.420 nan 0.000 0.286 244 P C -0.354 176.980 177.300 0.058 0.000 1.261 244 P CA -0.423 62.710 63.100 0.054 0.000 0.821 244 P CB 1.913 33.652 31.700 0.065 0.000 1.013 245 V N 0.745 120.645 119.914 -0.022 0.000 3.007 245 V HA 0.706 4.826 4.120 0.000 0.000 0.311 245 V C -1.003 175.007 176.094 -0.140 0.000 1.120 245 V CA -1.173 61.122 62.300 -0.008 0.000 0.980 245 V CB 2.032 33.911 31.823 0.094 0.000 1.033 245 V HN 0.508 nan 8.190 nan 0.000 0.429 246 L N 2.988 124.105 121.223 -0.176 0.000 2.386 246 L HA 0.883 5.223 4.340 0.000 0.000 0.271 246 L C -1.356 175.345 176.870 -0.283 0.000 0.993 246 L CA -0.628 54.068 54.840 -0.240 0.000 0.819 246 L CB 2.116 44.060 42.059 -0.190 0.000 1.294 246 L HN 0.683 nan 8.230 nan 0.000 0.414 247 V N 3.330 123.079 119.914 -0.276 0.000 2.409 247 V HA 0.306 4.426 4.120 0.000 0.000 0.290 247 V C -0.802 175.283 176.094 -0.015 0.000 1.017 247 V CA -0.586 61.626 62.300 -0.147 0.000 0.841 247 V CB 1.433 33.214 31.823 -0.071 0.000 1.003 247 V HN 0.662 nan 8.190 nan 0.000 0.426 248 D N 4.341 124.717 120.400 -0.040 0.000 2.312 248 D HA 0.429 5.069 4.640 0.000 0.000 0.252 248 D C -0.460 175.866 176.300 0.043 0.000 1.150 248 D CA 0.148 54.143 54.000 -0.009 0.000 0.870 248 D CB 1.093 41.861 40.800 -0.053 0.000 1.153 248 D HN 0.418 nan 8.370 nan 0.000 0.457 249 L N 5.949 127.208 121.223 0.059 0.000 2.337 249 L HA 0.366 4.706 4.340 0.000 0.000 0.269 249 L C -2.207 174.677 176.870 0.023 0.000 1.018 249 L CA -1.968 52.907 54.840 0.058 0.000 0.876 249 L CB 1.614 43.712 42.059 0.065 0.000 1.236 249 L HN 0.167 nan 8.230 nan 0.000 0.436 250 P HA -0.041 nan 4.420 nan 0.000 0.264 250 P C 0.559 177.864 177.300 0.009 0.000 1.193 250 P CA 0.009 63.115 63.100 0.010 0.000 0.763 250 P CB 0.763 32.470 31.700 0.012 0.000 0.810 251 K N 4.259 124.662 120.400 0.006 0.000 2.152 251 K HA -0.229 4.091 4.320 0.000 0.000 0.206 251 K C 1.073 177.676 176.600 0.006 0.000 1.048 251 K CA 1.992 58.281 56.287 0.004 0.000 0.933 251 K CB -0.298 32.207 32.500 0.008 0.000 0.721 251 K HN 0.458 nan 8.250 nan 0.000 0.447 252 D N 0.294 120.699 120.400 0.009 0.000 2.269 252 D HA -0.117 4.523 4.640 0.000 0.000 0.208 252 D C 1.884 178.191 176.300 0.013 0.000 0.963 252 D CA 0.679 54.685 54.000 0.010 0.000 0.864 252 D CB -0.219 40.587 40.800 0.011 0.000 0.936 252 D HN 0.171 nan 8.370 nan 0.000 0.505 253 V N 1.379 121.302 119.914 0.016 0.000 2.407 253 V HA -0.161 3.959 4.120 0.000 0.000 0.245 253 V C 2.790 178.895 176.094 0.018 0.000 1.041 253 V CA 2.136 64.450 62.300 0.023 0.000 1.040 253 V CB -0.539 31.304 31.823 0.034 0.000 0.671 253 V HN 0.473 nan 8.190 nan 0.000 0.455 254 T N -1.640 112.918 114.554 0.007 0.000 2.985 254 T HA 0.056 4.407 4.350 0.000 0.000 0.266 254 T C 1.734 176.428 174.700 -0.010 0.000 1.076 254 T CA 1.120 63.215 62.100 -0.008 0.000 1.135 254 T CB -0.116 68.729 68.868 -0.039 0.000 0.890 254 T HN 0.394 nan 8.240 nan 0.000 0.480 255 A N 1.371 124.189 122.820 -0.004 0.000 2.081 255 A HA 0.719 5.039 4.320 0.000 0.000 0.214 255 A C 1.584 179.168 177.584 0.000 0.000 1.158 255 A CA 0.308 52.343 52.037 -0.004 0.000 0.724 255 A CB -0.756 18.243 19.000 -0.003 0.000 0.826 255 A HN 0.751 nan 8.150 nan 0.000 0.463 256 A N -0.063 122.761 122.820 0.006 0.000 2.445 256 A HA 0.519 4.839 4.320 0.000 0.000 0.242 256 A C 0.009 177.599 177.584 0.011 0.000 1.075 256 A CA -0.062 51.981 52.037 0.011 0.000 0.777 256 A CB -0.098 18.912 19.000 0.017 0.000 1.013 256 A HN 0.379 nan 8.150 nan 0.000 0.493 257 I N 1.489 122.067 120.570 0.013 0.000 2.385 257 I HA 0.169 4.339 4.170 0.000 0.000 0.294 257 I C -0.145 175.988 176.117 0.028 0.000 0.988 257 I CA -0.635 60.675 61.300 0.016 0.000 1.265 257 I CB 1.528 39.537 38.000 0.015 0.000 1.388 257 I HN 0.615 nan 8.210 nan 0.000 0.480 258 L N 7.645 128.890 121.223 0.037 0.000 2.369 258 L HA 0.214 4.554 4.340 0.000 0.000 0.279 258 L C 0.835 177.737 176.870 0.054 0.000 1.108 258 L CA 0.559 55.433 54.840 0.057 0.000 0.852 258 L CB -0.115 41.998 42.059 0.089 0.000 1.169 258 L HN 0.518 nan 8.230 nan 0.000 0.452 259 R N 3.061 123.588 120.500 0.046 0.000 2.437 259 R HA 0.346 4.687 4.340 0.000 0.000 0.257 259 R C -0.553 175.770 176.300 0.039 0.000 0.927 259 R CA -0.119 56.004 56.100 0.038 0.000 1.078 259 R CB -0.064 30.254 30.300 0.029 0.000 1.161 259 R HN 0.608 nan 8.270 nan 0.000 0.529 260 N N 1.393 120.120 118.700 0.046 0.000 2.225 260 N HA 0.376 5.116 4.740 0.000 0.000 0.298 260 N C -2.845 172.693 175.510 0.047 0.000 1.076 260 N CA -1.668 51.407 53.050 0.041 0.000 0.792 260 N CB 2.556 41.066 38.487 0.038 0.000 1.498 260 N HN -0.223 nan 8.380 nan 0.000 0.474 261 P HA 0.291 nan 4.420 nan 0.000 0.272 261 P C -0.429 176.889 177.300 0.029 0.000 1.223 261 P CA -0.116 63.000 63.100 0.027 0.000 0.784 261 P CB 0.683 32.390 31.700 0.012 0.000 0.923 262 I N -2.341 118.242 120.570 0.021 0.000 2.934 262 I HA 0.621 4.791 4.170 0.000 0.000 0.306 262 I C -2.876 173.242 176.117 0.001 0.000 1.110 262 I CA -3.646 57.670 61.300 0.026 0.000 1.019 262 I CB 2.120 40.155 38.000 0.058 0.000 1.227 262 I HN 0.026 nan 8.210 nan 0.000 0.434 263 P HA 0.044 nan 4.420 nan 0.000 0.262 263 P C 0.459 177.746 177.300 -0.022 0.000 1.182 263 P CA 0.313 63.412 63.100 -0.003 0.000 0.761 263 P CB 0.576 32.282 31.700 0.010 0.000 0.795 264 T N 3.067 117.599 114.554 -0.036 0.000 2.833 264 T HA -0.179 4.172 4.350 0.000 0.000 0.269 264 T C 1.557 176.230 174.700 -0.044 0.000 1.054 264 T CA 1.510 63.575 62.100 -0.059 0.000 1.135 264 T CB -0.306 68.529 68.868 -0.055 0.000 0.869 264 T HN 0.573 nan 8.240 nan 0.000 0.466 265 K N 1.672 122.058 120.400 -0.023 0.000 2.097 265 K HA -0.106 4.214 4.320 0.000 0.000 0.206 265 K C 2.280 178.880 176.600 -0.000 0.000 1.049 265 K CA 1.775 58.054 56.287 -0.012 0.000 0.933 265 K CB -0.920 31.577 32.500 -0.005 0.000 0.717 265 K HN 0.424 nan 8.250 nan 0.000 0.442 266 T N -1.092 113.469 114.554 0.011 0.000 3.098 266 T HA -0.064 4.287 4.350 0.000 0.000 0.266 266 T C 1.672 176.402 174.700 0.050 0.000 1.145 266 T CA 1.171 63.294 62.100 0.038 0.000 1.092 266 T CB -0.465 68.437 68.868 0.056 0.000 0.908 266 T HN 0.490 nan 8.240 nan 0.000 0.526 267 T N -0.793 113.767 114.554 0.009 0.000 3.044 267 T HA 0.475 4.825 4.350 0.000 0.000 0.260 267 T C 0.176 174.869 174.700 -0.012 0.000 1.019 267 T CA -0.635 61.468 62.100 0.005 0.000 0.921 267 T CB -0.242 68.540 68.868 -0.144 0.000 1.053 267 T HN 0.381 nan 8.240 nan 0.000 0.533 268 L N 1.943 123.158 121.223 -0.013 0.000 2.349 268 L HA 0.553 4.893 4.340 0.000 0.000 0.278 268 L C -2.668 174.198 176.870 -0.008 0.000 0.996 268 L CA -2.554 52.274 54.840 -0.019 0.000 0.825 268 L CB 1.881 43.922 42.059 -0.031 0.000 1.243 268 L HN -0.110 nan 8.230 nan 0.000 0.412 269 P HA 0.127 nan 4.420 nan 0.000 0.269 269 P C -0.113 177.184 177.300 -0.006 0.000 1.211 269 P CA 0.324 63.417 63.100 -0.012 0.000 0.781 269 P CB 0.632 32.308 31.700 -0.040 0.000 0.877 279 R N 2.739 123.252 120.500 0.022 0.000 2.092 279 R HA -0.036 4.304 4.340 0.000 0.000 0.231 279 R C 2.012 178.334 176.300 0.037 0.000 1.119 279 R CA 1.847 57.963 56.100 0.027 0.000 0.970 279 R CB -0.766 29.546 30.300 0.020 0.000 0.864 279 R HN 0.746 nan 8.270 nan 0.000 0.440 280 A N 0.567 123.407 122.820 0.033 0.000 1.902 280 A HA -0.214 4.106 4.320 0.000 0.000 0.217 280 A C 2.071 179.704 177.584 0.081 0.000 1.181 280 A CA 1.511 53.574 52.037 0.043 0.000 0.623 280 A CB -0.441 18.568 19.000 0.016 0.000 0.818 280 A HN 0.351 nan 8.150 nan 0.000 0.443 281 Q N 0.484 120.328 119.800 0.073 0.000 2.046 281 Q HA -0.165 4.175 4.340 0.000 0.000 0.200 281 Q C 1.445 177.537 176.000 0.154 0.000 0.975 281 Q CA 2.148 58.026 55.803 0.124 0.000 0.836 281 Q CB -0.395 28.389 28.738 0.076 0.000 0.896 281 Q HN 0.629 nan 8.270 nan 0.000 0.428 282 D N 0.240 120.692 120.400 0.087 0.000 2.123 282 D HA -0.181 4.459 4.640 0.000 0.000 0.196 282 D C 1.626 177.958 176.300 0.054 0.000 0.992 282 D CA 1.437 55.473 54.000 0.059 0.000 0.833 282 D CB -0.048 40.775 40.800 0.039 0.000 0.954 282 D HN 0.532 nan 8.370 nan 0.000 0.455 283 E N -0.341 119.901 120.200 0.071 0.000 2.150 283 E HA -0.137 4.213 4.350 0.000 0.000 0.193 283 E C 1.903 178.550 176.600 0.079 0.000 0.985 283 E CA 0.263 56.699 56.400 0.060 0.000 0.814 283 E CB -0.149 29.589 29.700 0.063 0.000 0.752 283 E HN 0.240 nan 8.360 nan 0.000 0.466 284 F N 1.269 121.211 119.950 -0.013 0.000 2.146 284 F HA -0.167 4.360 4.527 0.000 0.000 0.298 284 F C 2.021 177.805 175.800 -0.027 0.000 1.096 284 F CA 0.947 58.935 58.000 -0.020 0.000 1.275 284 F CB -0.294 38.694 39.000 -0.021 0.000 1.008 284 F HN -0.231 nan 8.300 nan 0.000 0.480 285 V N 0.477 120.271 119.914 -0.200 0.000 2.358 285 V HA -0.306 3.814 4.120 0.000 0.000 0.246 285 V C 2.393 178.343 176.094 -0.239 0.000 1.047 285 V CA 1.996 64.120 62.300 -0.292 0.000 1.035 285 V CB -0.722 31.049 31.823 -0.086 0.000 0.658 285 V HN 0.448 nan 8.190 nan 0.000 0.452 286 M N 0.018 119.541 119.600 -0.128 0.000 2.213 286 M HA -0.176 4.304 4.480 0.000 0.000 0.263 286 M C 2.109 178.338 176.300 -0.120 0.000 1.062 286 M CA 1.736 56.983 55.300 -0.090 0.000 1.105 286 M CB -0.768 31.810 32.600 -0.038 0.000 1.385 286 M HN 0.406 nan 8.290 nan 0.000 0.417 287 Q N -0.843 118.863 119.800 -0.156 0.000 2.079 287 Q HA -0.154 4.186 4.340 0.000 0.000 0.200 287 Q C 1.892 177.765 176.000 -0.211 0.000 0.974 287 Q CA 2.096 57.811 55.803 -0.146 0.000 0.840 287 Q CB -0.133 28.542 28.738 -0.106 0.000 0.898 287 Q HN 0.720 nan 8.270 nan 0.000 0.430 288 S N -0.078 115.403 115.700 -0.365 0.000 2.402 288 S HA -0.096 4.374 4.470 0.000 0.000 0.229 288 S C 1.918 176.368 174.600 -0.249 0.000 1.021 288 S CA 0.814 58.802 58.200 -0.354 0.000 0.974 288 S CB -0.464 62.417 63.200 -0.531 0.000 0.800 288 S HN 0.436 nan 8.310 nan 0.000 0.484 289 I N 2.394 122.839 120.570 -0.207 0.000 2.226 289 I HA -0.167 4.003 4.170 0.000 0.000 0.245 289 I C 2.304 178.371 176.117 -0.082 0.000 1.100 289 I CA 1.103 62.333 61.300 -0.116 0.000 1.374 289 I CB -0.530 37.435 38.000 -0.058 0.000 1.057 289 I HN 0.316 nan 8.210 nan 0.000 0.413 290 N N 1.169 119.816 118.700 -0.089 0.000 2.188 290 N HA -0.150 4.590 4.740 0.000 0.000 0.184 290 N C 1.741 177.204 175.510 -0.079 0.000 1.018 290 N CA 1.210 54.217 53.050 -0.073 0.000 0.858 290 N CB -0.187 38.265 38.487 -0.059 0.000 0.989 290 N HN 0.385 nan 8.380 nan 0.000 0.426 291 K N 0.796 121.142 120.400 -0.090 0.000 2.057 291 K HA 0.044 4.364 4.320 0.000 0.000 0.206 291 K C 2.074 178.629 176.600 -0.074 0.000 1.050 291 K CA 1.094 57.334 56.287 -0.079 0.000 0.935 291 K CB -0.083 32.364 32.500 -0.087 0.000 0.715 291 K HN 0.104 nan 8.250 nan 0.000 0.439 292 A N 1.604 124.371 122.820 -0.087 0.000 1.902 292 A HA -0.119 4.201 4.320 0.000 0.000 0.217 292 A C 2.380 179.950 177.584 -0.022 0.000 1.181 292 A CA 1.832 53.838 52.037 -0.052 0.000 0.623 292 A CB -0.666 18.290 19.000 -0.073 0.000 0.818 292 A HN 0.328 nan 8.150 nan 0.000 0.443 293 A N 0.154 122.946 122.820 -0.046 0.000 1.877 293 A HA -0.189 4.131 4.320 0.000 0.000 0.216 293 A C 1.778 179.270 177.584 -0.153 0.000 1.186 293 A CA 1.870 53.850 52.037 -0.095 0.000 0.620 293 A CB -0.621 18.306 19.000 -0.122 0.000 0.822 293 A HN 0.464 nan 8.150 nan 0.000 0.443 294 D N -0.416 119.907 120.400 -0.129 0.000 2.123 294 D HA -0.135 4.505 4.640 0.000 0.000 0.196 294 D C 1.804 178.058 176.300 -0.076 0.000 0.992 294 D CA 1.154 55.084 54.000 -0.117 0.000 0.833 294 D CB -0.401 40.359 40.800 -0.066 0.000 0.954 294 D HN 0.309 nan 8.370 nan 0.000 0.455 295 L N 0.831 122.023 121.223 -0.051 0.000 2.056 295 L HA -0.055 4.286 4.340 0.000 0.000 0.207 295 L C 2.216 179.073 176.870 -0.022 0.000 1.078 295 L CA 1.147 55.971 54.840 -0.027 0.000 0.749 295 L CB -0.448 41.602 42.059 -0.015 0.000 0.901 295 L HN 0.004 nan 8.230 nan 0.000 0.433 296 I N -0.372 120.184 120.570 -0.024 0.000 2.226 296 I HA -0.287 3.883 4.170 0.000 0.000 0.245 296 I C 1.687 177.787 176.117 -0.028 0.000 1.100 296 I CA 0.978 62.272 61.300 -0.010 0.000 1.374 296 I CB -0.441 37.561 38.000 0.003 0.000 1.057 296 I HN 0.340 nan 8.210 nan 0.000 0.413 297 N N 0.589 119.238 118.700 -0.086 0.000 2.520 297 N HA -0.117 4.623 4.740 0.000 0.000 0.185 297 N C 1.553 177.084 175.510 0.036 0.000 1.068 297 N CA 0.933 53.947 53.050 -0.061 0.000 0.911 297 N CB 0.041 38.352 38.487 -0.294 0.000 0.961 297 N HN 0.271 nan 8.380 nan 0.000 0.446 298 L N 0.161 121.388 121.223 0.006 0.000 2.556 298 L HA 0.344 4.684 4.340 0.000 0.000 0.226 298 L C 0.532 177.397 176.870 -0.009 0.000 1.089 298 L CA 0.107 54.954 54.840 0.012 0.000 0.864 298 L CB -0.264 41.796 42.059 0.001 0.000 1.067 298 L HN -0.107 nan 8.230 nan 0.000 0.477 299 A N -0.322 122.486 122.820 -0.019 0.000 2.462 299 A HA 0.261 4.581 4.320 0.000 0.000 0.243 299 A C 0.926 178.465 177.584 -0.075 0.000 1.076 299 A CA 0.007 52.014 52.037 -0.050 0.000 0.773 299 A CB 0.225 19.202 19.000 -0.038 0.000 1.010 299 A HN 0.177 nan 8.150 nan 0.000 0.493 300 K N 0.911 121.225 120.400 -0.143 0.000 2.365 300 K HA 0.131 4.451 4.320 0.000 0.000 0.195 300 K C -0.037 176.338 176.600 -0.375 0.000 1.079 300 K CA 0.937 57.117 56.287 -0.180 0.000 0.979 300 K CB 0.442 32.848 32.500 -0.157 0.000 0.929 300 K HN 0.707 nan 8.250 nan 0.000 0.523 301 K N 1.897 121.952 120.400 -0.576 0.000 3.084 301 K HA 0.224 4.544 4.320 0.000 0.000 0.172 301 K C -2.696 173.501 176.600 -0.673 0.000 1.078 301 K CA -1.284 54.196 56.287 -1.344 0.000 0.875 301 K CB 1.858 33.336 32.500 -1.703 0.000 1.064 301 K HN -0.014 nan 8.250 nan 0.000 0.597 302 P HA 0.214 nan 4.420 nan 0.000 0.276 302 P C -0.386 177.114 177.300 0.334 0.000 1.244 302 P CA -0.363 62.789 63.100 0.087 0.000 0.801 302 P CB 1.689 33.448 31.700 0.098 0.000 1.006 303 V N 2.594 122.653 119.914 0.243 0.000 2.777 303 V HA 0.263 4.383 4.120 0.000 0.000 0.306 303 V C 0.042 176.226 176.094 0.151 0.000 1.112 303 V CA -0.663 61.779 62.300 0.238 0.000 0.917 303 V CB 2.126 34.100 31.823 0.251 0.000 1.018 303 V HN 0.404 nan 8.190 nan 0.000 0.426 304 L N 4.726 126.000 121.223 0.085 0.000 2.265 304 L HA 0.455 4.795 4.340 0.000 0.000 0.288 304 L C -1.040 175.874 176.870 0.073 0.000 1.058 304 L CA -0.540 54.326 54.840 0.045 0.000 0.809 304 L CB 0.874 42.898 42.059 -0.058 0.000 1.179 304 L HN 0.736 nan 8.230 nan 0.000 0.429 305 Y N 5.486 125.764 120.300 -0.037 0.000 2.491 305 Y HA 0.542 5.092 4.550 0.000 0.000 0.334 305 Y C -0.981 174.869 175.900 -0.084 0.000 0.969 305 Y CA -1.174 56.883 58.100 -0.072 0.000 1.241 305 Y CB 0.793 39.202 38.460 -0.086 0.000 1.105 305 Y HN 0.185 nan 8.280 nan 0.000 0.503 306 V N 6.368 126.182 119.914 -0.167 0.000 2.483 306 V HA 0.861 4.981 4.120 0.000 0.000 0.295 306 V C 0.487 176.438 176.094 -0.238 0.000 1.035 306 V CA -0.079 62.081 62.300 -0.233 0.000 0.896 306 V CB 1.143 32.890 31.823 -0.127 0.000 0.986 306 V HN 0.959 nan 8.190 nan 0.000 0.447 307 G N 1.813 110.462 108.800 -0.252 0.000 3.211 307 G HA2 0.588 4.549 3.960 0.000 0.000 0.262 307 G HA3 0.588 4.549 3.960 0.000 0.000 0.262 307 G C 0.867 175.702 174.900 -0.108 0.000 1.352 307 G CA 0.028 45.021 45.100 -0.180 0.000 1.004 307 G HN 0.858 nan 8.290 nan 0.000 0.559 308 A N -0.813 121.956 122.820 -0.085 0.000 2.032 308 A HA 0.045 4.365 4.320 0.000 0.000 0.221 308 A C 2.517 180.081 177.584 -0.033 0.000 1.165 308 A CA 2.585 54.588 52.037 -0.056 0.000 0.645 308 A CB -1.075 17.893 19.000 -0.052 0.000 0.807 308 A HN 1.325 nan 8.150 nan 0.000 0.453 309 G N -0.209 108.568 108.800 -0.037 0.000 2.450 309 G HA2 -0.211 3.749 3.960 0.000 0.000 0.220 309 G HA3 -0.211 3.749 3.960 0.000 0.000 0.220 309 G C 1.359 176.261 174.900 0.003 0.000 1.130 309 G CA 1.181 46.274 45.100 -0.011 0.000 0.760 309 G HN 0.502 nan 8.290 nan 0.000 0.557 310 I N 0.358 120.914 120.570 -0.023 0.000 2.830 310 I HA 0.099 4.269 4.170 0.000 0.000 0.263 310 I C 2.076 178.205 176.117 0.020 0.000 1.230 310 I CA 0.496 61.786 61.300 -0.015 0.000 1.480 310 I CB 0.045 38.019 38.000 -0.043 0.000 1.095 310 I HN 0.102 nan 8.210 nan 0.000 0.455 311 L N -0.525 120.706 121.223 0.013 0.000 2.592 311 L HA 0.112 4.452 4.340 0.000 0.000 0.227 311 L C 1.167 178.156 176.870 0.197 0.000 1.127 311 L CA 0.299 55.159 54.840 0.032 0.000 0.884 311 L CB -0.583 41.423 42.059 -0.088 0.000 1.065 311 L HN 0.194 nan 8.230 nan 0.000 0.457 312 N N -0.959 117.822 118.700 0.136 0.000 2.362 312 N HA -0.004 4.736 4.740 0.000 0.000 0.204 312 N C -0.214 175.386 175.510 0.149 0.000 1.166 312 N CA -0.036 53.090 53.050 0.128 0.000 0.831 312 N CB 0.209 38.744 38.487 0.080 0.000 1.008 312 N HN 0.281 nan 8.380 nan 0.000 0.472 313 H N -1.480 117.637 119.070 0.077 0.000 2.954 313 H HA 0.377 4.933 4.556 0.000 0.000 0.361 313 H C 0.323 175.700 175.328 0.082 0.000 1.122 313 H CA -0.461 55.623 56.048 0.059 0.000 1.217 313 H CB 1.350 31.133 29.762 0.036 0.000 1.776 313 H HN -0.035 nan 8.280 nan 0.000 0.533 314 A N 2.670 125.503 122.820 0.022 0.000 1.986 314 A HA -0.181 4.139 4.320 0.000 0.000 0.220 314 A C 1.327 179.047 177.584 0.227 0.000 1.171 314 A CA 2.017 54.125 52.037 0.119 0.000 0.640 314 A CB -0.172 18.828 19.000 0.000 0.000 0.811 314 A HN 0.831 nan 8.150 nan 0.000 0.451 315 D N -0.811 119.847 120.400 0.430 0.000 2.339 315 D HA 0.114 4.754 4.640 0.000 0.000 0.217 315 D C 1.847 178.210 176.300 0.105 0.000 1.050 315 D CA 0.775 54.908 54.000 0.220 0.000 0.856 315 D CB -0.356 40.543 40.800 0.165 0.000 0.922 315 D HN 0.405 nan 8.370 nan 0.000 0.518 316 G N 2.580 111.457 108.800 0.129 0.000 2.586 316 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 316 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 316 G C -0.656 174.260 174.900 0.028 0.000 1.216 316 G CA 0.621 45.744 45.100 0.039 0.000 0.786 316 G HN 0.276 nan 8.290 nan 0.000 0.583 317 P HA -0.119 nan 4.420 nan 0.000 0.216 317 P C 2.011 179.345 177.300 0.056 0.000 1.153 317 P CA 1.204 64.338 63.100 0.055 0.000 0.858 317 P CB -0.082 31.643 31.700 0.042 0.000 0.789 318 R N -0.050 120.478 120.500 0.046 0.000 2.073 318 R HA -0.092 4.248 4.340 0.000 0.000 0.234 318 R C 2.162 178.481 176.300 0.031 0.000 1.134 318 R CA 1.452 57.575 56.100 0.038 0.000 0.952 318 R CB -1.065 29.259 30.300 0.040 0.000 0.850 318 R HN 0.225 nan 8.270 nan 0.000 0.433 319 L N 0.885 122.114 121.223 0.010 0.000 2.141 319 L HA -0.180 4.160 4.340 0.000 0.000 0.209 319 L C 2.544 179.409 176.870 -0.008 0.000 1.094 319 L CA 0.409 55.240 54.840 -0.015 0.000 0.763 319 L CB -0.437 41.585 42.059 -0.061 0.000 0.908 319 L HN 0.223 nan 8.230 nan 0.000 0.437 320 L N 0.543 121.771 121.223 0.009 0.000 2.017 320 L HA -0.235 4.105 4.340 0.000 0.000 0.208 320 L C 2.550 179.494 176.870 0.123 0.000 1.073 320 L CA 1.917 56.777 54.840 0.033 0.000 0.745 320 L CB -0.640 41.460 42.059 0.069 0.000 0.894 320 L HN 0.136 nan 8.230 nan 0.000 0.432 321 K N -0.540 119.960 120.400 0.167 0.000 2.097 321 K HA -0.257 4.063 4.320 0.000 0.000 0.206 321 K C 2.158 178.839 176.600 0.135 0.000 1.049 321 K CA 1.752 58.164 56.287 0.207 0.000 0.933 321 K CB -0.244 32.309 32.500 0.089 0.000 0.717 321 K HN 0.581 nan 8.250 nan 0.000 0.442 322 E N 0.429 120.676 120.200 0.078 0.000 2.051 322 E HA -0.223 4.127 4.350 0.000 0.000 0.192 322 E C 2.083 178.721 176.600 0.062 0.000 0.991 322 E CA 1.208 57.644 56.400 0.059 0.000 0.799 322 E CB -0.095 29.625 29.700 0.034 0.000 0.748 322 E HN 0.281 nan 8.360 nan 0.000 0.449 323 L N 0.652 121.901 121.223 0.044 0.000 2.046 323 L HA -0.160 4.180 4.340 0.000 0.000 0.208 323 L C 2.445 179.356 176.870 0.068 0.000 1.077 323 L CA 2.287 57.146 54.840 0.033 0.000 0.747 323 L CB -0.894 41.154 42.059 -0.018 0.000 0.896 323 L HN 0.075 nan 8.230 nan 0.000 0.432 324 S N -0.894 114.864 115.700 0.097 0.000 2.370 324 S HA -0.206 4.264 4.470 0.000 0.000 0.226 324 S C 1.733 176.434 174.600 0.168 0.000 1.033 324 S CA 1.652 59.933 58.200 0.134 0.000 1.011 324 S CB -0.462 62.854 63.200 0.194 0.000 0.852 324 S HN 0.620 nan 8.310 nan 0.000 0.457 325 D N 0.700 121.194 120.400 0.158 0.000 2.103 325 D HA -0.049 4.591 4.640 0.000 0.000 0.199 325 D C 2.183 178.552 176.300 0.115 0.000 0.978 325 D CA 0.811 54.896 54.000 0.142 0.000 0.829 325 D CB -0.446 40.421 40.800 0.112 0.000 0.981 325 D HN 0.416 nan 8.370 nan 0.000 0.464 326 R N 0.604 121.160 120.500 0.094 0.000 2.083 326 R HA -0.072 4.268 4.340 0.000 0.000 0.237 326 R C 1.521 177.873 176.300 0.086 0.000 1.137 326 R CA 1.645 57.794 56.100 0.080 0.000 0.951 326 R CB -0.042 30.297 30.300 0.066 0.000 0.851 326 R HN 0.090 nan 8.270 nan 0.000 0.434 327 A N -0.091 122.785 122.820 0.093 0.000 2.387 327 A HA 0.127 4.447 4.320 0.000 0.000 0.234 327 A C -0.238 177.419 177.584 0.122 0.000 1.253 327 A CA -0.275 51.819 52.037 0.095 0.000 0.894 327 A CB 0.515 19.563 19.000 0.080 0.000 0.963 327 A HN 0.396 nan 8.150 nan 0.000 0.508 328 Q N -0.376 119.517 119.800 0.155 0.000 2.453 328 Q HA -0.179 4.162 4.340 0.000 0.000 0.330 328 Q C -0.738 175.484 176.000 0.371 0.000 1.417 328 Q CA 1.027 56.979 55.803 0.248 0.000 0.902 328 Q CB -1.743 27.042 28.738 0.078 0.000 1.154 328 Q HN 0.751 nan 8.270 nan 0.000 0.395 329 I N 1.006 121.753 120.570 0.294 0.000 2.362 329 I HA 0.309 4.479 4.170 0.000 0.000 0.289 329 I C -2.031 174.186 176.117 0.166 0.000 0.994 329 I CA -2.277 59.185 61.300 0.271 0.000 1.158 329 I CB 1.727 39.824 38.000 0.161 0.000 1.315 329 I HN -0.103 nan 8.210 nan 0.000 0.451 330 P HA 0.127 nan 4.420 nan 0.000 0.271 330 P C -0.853 176.360 177.300 -0.144 0.000 1.218 330 P CA -0.158 62.890 63.100 -0.087 0.000 0.780 330 P CB 0.817 32.423 31.700 -0.158 0.000 0.901 331 V N 2.282 121.990 119.914 -0.343 0.000 2.487 331 V HA 0.506 4.626 4.120 0.000 0.000 0.298 331 V C 0.195 176.108 176.094 -0.303 0.000 1.028 331 V CA -0.280 61.737 62.300 -0.470 0.000 0.860 331 V CB 1.824 32.928 31.823 -1.199 0.000 0.991 331 V HN 0.519 nan 8.190 nan 0.000 0.427 332 T N 3.100 117.570 114.554 -0.140 0.000 2.863 332 T HA 0.744 5.094 4.350 0.000 0.000 0.285 332 T C -0.243 174.463 174.700 0.009 0.000 1.009 332 T CA -0.106 61.970 62.100 -0.039 0.000 0.989 332 T CB 1.551 70.424 68.868 0.007 0.000 1.004 332 T HN 0.987 nan 8.240 nan 0.000 0.455 333 T N 0.656 115.231 114.554 0.036 0.000 2.924 333 T HA 0.718 5.068 4.350 0.000 0.000 0.291 333 T C 0.556 175.296 174.700 0.066 0.000 1.045 333 T CA -0.567 61.556 62.100 0.038 0.000 1.015 333 T CB 1.267 70.147 68.868 0.020 0.000 1.103 333 T HN 0.786 nan 8.240 nan 0.000 0.496 334 T N 0.109 114.695 114.554 0.053 0.000 2.770 334 T HA 0.320 4.670 4.350 0.000 0.000 0.281 334 T C 1.374 176.084 174.700 0.017 0.000 0.981 334 T CA -0.589 61.546 62.100 0.059 0.000 0.955 334 T CB 0.338 69.230 68.868 0.040 0.000 1.060 334 T HN 0.561 nan 8.240 nan 0.000 0.531 335 L N 0.362 121.598 121.223 0.022 0.000 2.083 335 L HA -0.053 4.287 4.340 0.000 0.000 0.209 335 L C 2.503 179.385 176.870 0.020 0.000 1.083 335 L CA 1.700 56.565 54.840 0.041 0.000 0.752 335 L CB -0.818 41.269 42.059 0.047 0.000 0.899 335 L HN 0.587 nan 8.230 nan 0.000 0.433 336 Q N -0.701 119.079 119.800 -0.034 0.000 2.444 336 Q HA 0.116 4.456 4.340 0.000 0.000 0.206 336 Q C 1.737 177.696 176.000 -0.069 0.000 0.948 336 Q CA 0.917 56.679 55.803 -0.069 0.000 0.946 336 Q CB 0.075 28.762 28.738 -0.085 0.000 1.027 336 Q HN 0.630 nan 8.270 nan 0.000 0.513 337 G N -0.294 108.469 108.800 -0.062 0.000 3.126 337 G HA2 0.178 4.138 3.960 0.000 0.000 0.224 337 G HA3 0.178 4.138 3.960 0.000 0.000 0.224 337 G C 0.473 175.329 174.900 -0.072 0.000 1.142 337 G CA -0.331 44.729 45.100 -0.067 0.000 0.759 337 G HN 0.147 nan 8.290 nan 0.000 0.550 338 L N 0.872 122.015 121.223 -0.133 0.000 2.559 338 L HA 0.339 4.679 4.340 0.000 0.000 0.274 338 L C 1.606 178.336 176.870 -0.234 0.000 1.205 338 L CA 1.276 55.948 54.840 -0.281 0.000 0.907 338 L CB 0.677 42.267 42.059 -0.783 0.000 1.153 338 L HN 0.331 nan 8.230 nan 0.000 0.490 339 G N 1.336 110.128 108.800 -0.015 0.000 2.213 339 G HA2 -0.318 3.642 3.960 0.000 0.000 0.226 339 G HA3 -0.318 3.642 3.960 0.000 0.000 0.226 339 G C 0.950 175.882 174.900 0.054 0.000 0.992 339 G CA 0.422 45.577 45.100 0.090 0.000 0.632 339 G HN 0.707 nan 8.290 nan 0.000 0.511 340 S N -1.191 114.532 115.700 0.038 0.000 2.496 340 S HA 0.533 5.003 4.470 0.000 0.000 0.224 340 S C 0.481 175.178 174.600 0.161 0.000 0.996 340 S CA 0.729 58.956 58.200 0.045 0.000 0.927 340 S CB 0.193 63.403 63.200 0.016 0.000 0.774 340 S HN 1.008 nan 8.310 nan 0.000 0.524 341 F N 2.260 122.222 119.950 0.020 0.000 2.547 341 F HA 0.490 5.017 4.527 0.000 0.000 0.316 341 F C -0.894 174.947 175.800 0.068 0.000 1.121 341 F CA -1.550 56.471 58.000 0.035 0.000 0.911 341 F CB 1.757 40.773 39.000 0.026 0.000 1.179 341 F HN -0.069 nan 8.300 nan 0.000 0.443 342 D N 4.218 124.303 120.400 -0.524 0.000 2.363 342 D HA 0.050 4.691 4.640 0.000 0.000 0.263 342 D C 0.642 176.828 176.300 -0.189 0.000 1.258 342 D CA 0.558 54.380 54.000 -0.297 0.000 0.907 342 D CB 0.975 41.574 40.800 -0.334 0.000 1.107 342 D HN 0.678 nan 8.370 nan 0.000 0.495 343 Q N 2.409 122.234 119.800 0.041 0.000 2.488 343 Q HA -0.077 4.264 4.340 0.000 0.000 0.211 343 Q C 0.809 176.833 176.000 0.039 0.000 0.967 343 Q CA 0.563 56.434 55.803 0.113 0.000 0.926 343 Q CB 0.408 29.242 28.738 0.159 0.000 0.992 343 Q HN 0.593 nan 8.270 nan 0.000 0.506 344 E N 0.804 120.991 120.200 -0.023 0.000 2.371 344 E HA -0.047 4.303 4.350 0.000 0.000 0.194 344 E C 0.303 176.884 176.600 -0.031 0.000 1.012 344 E CA 0.254 56.635 56.400 -0.032 0.000 0.860 344 E CB 0.083 29.754 29.700 -0.048 0.000 0.811 344 E HN 0.307 nan 8.360 nan 0.000 0.502 345 D N 1.133 121.500 120.400 -0.055 0.000 2.424 345 D HA -0.005 4.635 4.640 0.000 0.000 0.244 345 D C -1.708 174.621 176.300 0.048 0.000 1.134 345 D CA -1.761 52.222 54.000 -0.028 0.000 0.881 345 D CB 1.723 42.448 40.800 -0.124 0.000 1.191 345 D HN -0.184 nan 8.370 nan 0.000 0.445 346 P HA -0.125 nan 4.420 nan 0.000 0.217 346 P C 0.628 177.894 177.300 -0.056 0.000 1.148 346 P CA 1.395 64.491 63.100 -0.007 0.000 0.828 346 P CB 0.225 31.930 31.700 0.007 0.000 0.783 347 K N -0.664 119.747 120.400 0.019 0.000 2.551 347 K HA 0.089 4.409 4.320 0.000 0.000 0.192 347 K C 0.761 177.378 176.600 0.028 0.000 1.027 347 K CA 0.058 56.311 56.287 -0.057 0.000 1.059 347 K CB -0.148 32.397 32.500 0.076 0.000 0.831 347 K HN 0.052 nan 8.250 nan 0.000 0.508 348 S N 0.864 116.679 115.700 0.191 0.000 2.523 348 S HA 0.198 4.668 4.470 0.000 0.000 0.275 348 S C 0.802 175.412 174.600 0.017 0.000 1.281 348 S CA -0.564 57.764 58.200 0.213 0.000 1.050 348 S CB 0.538 63.947 63.200 0.348 0.000 0.937 348 S HN 0.213 nan 8.310 nan 0.000 0.492 349 L N 3.534 124.737 121.223 -0.034 0.000 2.616 349 L HA 0.301 4.641 4.340 0.000 0.000 0.229 349 L C 0.995 177.852 176.870 -0.022 0.000 1.110 349 L CA 0.047 54.851 54.840 -0.060 0.000 0.884 349 L CB -0.418 41.589 42.059 -0.088 0.000 1.115 349 L HN 0.820 nan 8.230 nan 0.000 0.481 350 D N -0.045 120.383 120.400 0.046 0.000 3.876 350 D HA -0.260 4.380 4.640 0.000 0.000 0.275 350 D C -0.256 176.098 176.300 0.089 0.000 2.055 350 D CA 0.653 54.716 54.000 0.104 0.000 1.173 350 D CB -0.133 40.722 40.800 0.092 0.000 0.929 350 D HN -0.022 nan 8.370 nan 0.000 1.134 351 M N 1.193 120.876 119.600 0.138 0.000 2.233 351 M HA 0.415 4.895 4.480 0.000 0.000 0.350 351 M C 0.162 176.504 176.300 0.069 0.000 1.176 351 M CA -0.303 55.062 55.300 0.108 0.000 1.150 351 M CB 0.556 33.235 32.600 0.133 0.000 1.530 351 M HN 0.360 nan 8.290 nan 0.000 0.459 352 L N 2.661 123.909 121.223 0.043 0.000 2.335 352 L HA 1.104 5.444 4.340 0.000 0.000 0.268 352 L C -0.042 176.831 176.870 0.005 0.000 1.016 352 L CA -0.165 54.674 54.840 -0.001 0.000 0.805 352 L CB 1.488 43.530 42.059 -0.028 0.000 1.311 352 L HN 0.841 nan 8.230 nan 0.000 0.456 353 G N 0.020 108.808 108.800 -0.020 0.000 2.409 353 G HA2 -0.216 3.744 3.960 0.000 0.000 0.421 353 G HA3 -0.216 3.744 3.960 0.000 0.000 0.421 353 G C 0.040 174.921 174.900 -0.031 0.000 1.259 353 G CA 0.018 45.105 45.100 -0.022 0.000 1.011 353 G HN 1.075 nan 8.290 nan 0.000 0.497 354 M N -0.806 118.756 119.600 -0.064 0.000 2.089 354 M HA -0.129 4.351 4.480 0.000 0.000 0.257 354 M C 1.417 177.555 176.300 -0.271 0.000 1.071 354 M CA 2.458 57.655 55.300 -0.172 0.000 1.096 354 M CB -0.222 32.247 32.600 -0.219 0.000 1.330 354 M HN 0.575 nan 8.290 nan 0.000 0.403 355 H N -0.413 118.687 119.070 0.049 0.000 2.475 355 H HA 0.375 4.931 4.556 0.000 0.000 0.276 355 H C 0.363 175.734 175.328 0.071 0.000 1.126 355 H CA 0.256 56.333 56.048 0.049 0.000 1.023 355 H CB -0.472 29.299 29.762 0.015 0.000 1.669 355 H HN 0.418 nan 8.280 nan 0.000 0.573 356 G N 0.096 108.968 108.800 0.121 0.000 2.562 356 G HA2 0.146 4.107 3.960 0.000 0.000 0.275 356 G HA3 0.146 4.107 3.960 0.000 0.000 0.275 356 G C -0.028 174.917 174.900 0.076 0.000 1.196 356 G CA -0.426 44.745 45.100 0.118 0.000 0.908 356 G HN 0.427 nan 8.290 nan 0.000 0.524 357 C N 0.910 120.229 119.300 0.032 0.000 2.634 357 C HA 0.384 4.844 4.460 0.000 0.000 0.418 357 C C 2.156 176.926 174.990 -0.367 0.000 1.373 357 C CA 0.183 59.024 59.018 -0.295 0.000 1.756 357 C CB -0.472 27.041 27.740 -0.379 0.000 2.589 357 C HN 0.909 nan 8.230 nan 0.000 0.602 358 A N 4.660 127.150 122.820 -0.550 0.000 1.978 358 A HA -0.113 4.207 4.320 0.000 0.000 0.220 358 A C 2.156 179.400 177.584 -0.567 0.000 1.170 358 A CA 2.582 54.098 52.037 -0.868 0.000 0.636 358 A CB -0.946 17.277 19.000 -1.296 0.000 0.810 358 A HN 0.965 nan 8.150 nan 0.000 0.448 359 T N 0.114 114.469 114.554 -0.331 0.000 2.777 359 T HA 0.025 4.375 4.350 0.000 0.000 0.266 359 T C 2.224 176.804 174.700 -0.200 0.000 1.040 359 T CA 1.441 63.429 62.100 -0.186 0.000 1.141 359 T CB -0.389 68.462 68.868 -0.030 0.000 0.868 359 T HN 0.606 nan 8.240 nan 0.000 0.444 360 A N 2.418 125.127 122.820 -0.185 0.000 1.873 360 A HA -0.138 4.182 4.320 0.000 0.000 0.215 360 A C 2.277 179.774 177.584 -0.144 0.000 1.186 360 A CA 1.417 53.378 52.037 -0.127 0.000 0.616 360 A CB -0.586 18.362 19.000 -0.086 0.000 0.823 360 A HN 0.363 nan 8.150 nan 0.000 0.442 361 N N 0.161 118.742 118.700 -0.198 0.000 2.120 361 N HA -0.080 4.661 4.740 0.000 0.000 0.188 361 N C 1.671 177.054 175.510 -0.211 0.000 1.024 361 N CA 1.292 54.242 53.050 -0.168 0.000 0.852 361 N CB -0.508 37.883 38.487 -0.159 0.000 1.003 361 N HN 0.492 nan 8.380 nan 0.000 0.424 362 L N 0.655 121.644 121.223 -0.391 0.000 2.046 362 L HA -0.093 4.247 4.340 0.000 0.000 0.208 362 L C 2.383 179.012 176.870 -0.402 0.000 1.077 362 L CA 1.054 55.517 54.840 -0.629 0.000 0.747 362 L CB -0.442 40.731 42.059 -1.477 0.000 0.896 362 L HN 0.111 nan 8.230 nan 0.000 0.432 363 A N -0.501 122.198 122.820 -0.201 0.000 1.902 363 A HA -0.156 4.165 4.320 0.000 0.000 0.217 363 A C 2.317 180.043 177.584 0.238 0.000 1.181 363 A CA 1.762 53.911 52.037 0.187 0.000 0.623 363 A CB -0.793 18.248 19.000 0.070 0.000 0.818 363 A HN 0.199 nan 8.150 nan 0.000 0.443 364 V N 0.006 119.944 119.914 0.040 0.000 2.427 364 V HA -0.212 3.908 4.120 0.000 0.000 0.248 364 V C 2.566 178.596 176.094 -0.106 0.000 1.051 364 V CA 1.893 64.173 62.300 -0.033 0.000 1.048 364 V CB -0.610 31.150 31.823 -0.105 0.000 0.666 364 V HN 0.545 nan 8.190 nan 0.000 0.456 365 Q N -0.317 119.429 119.800 -0.090 0.000 2.311 365 Q HA -0.007 4.333 4.340 0.000 0.000 0.203 365 Q C 1.559 177.557 176.000 -0.004 0.000 0.954 365 Q CA 0.807 56.551 55.803 -0.098 0.000 0.885 365 Q CB -0.218 28.470 28.738 -0.085 0.000 0.963 365 Q HN 0.655 nan 8.270 nan 0.000 0.471 366 N N -0.311 118.468 118.700 0.132 0.000 2.184 366 N HA 0.146 4.886 4.740 0.000 0.000 0.206 366 N C -0.113 175.477 175.510 0.134 0.000 1.151 366 N CA 0.043 53.229 53.050 0.227 0.000 0.878 366 N CB 0.889 39.685 38.487 0.514 0.000 1.014 366 N HN 0.008 nan 8.380 nan 0.000 0.512 367 A N 1.516 124.408 122.820 0.120 0.000 2.407 367 A HA 0.115 4.436 4.320 0.000 0.000 0.248 367 A C 0.972 178.486 177.584 -0.117 0.000 1.082 367 A CA -0.206 51.806 52.037 -0.043 0.000 0.785 367 A CB 0.369 19.438 19.000 0.115 0.000 1.020 367 A HN 0.206 nan 8.150 nan 0.000 0.489 368 D N 0.507 120.791 120.400 -0.194 0.000 2.354 368 D HA 0.117 4.757 4.640 0.000 0.000 0.209 368 D C -0.028 176.225 176.300 -0.078 0.000 1.015 368 D CA 0.266 54.187 54.000 -0.132 0.000 0.867 368 D CB 0.054 40.760 40.800 -0.157 0.000 0.933 368 D HN 0.255 nan 8.370 nan 0.000 0.520 369 L N 0.531 121.719 121.223 -0.058 0.000 2.516 369 L HA 0.453 4.793 4.340 0.000 0.000 0.267 369 L C -1.755 175.148 176.870 0.054 0.000 0.957 369 L CA -0.699 54.142 54.840 0.002 0.000 0.860 369 L CB 2.134 44.195 42.059 0.004 0.000 1.265 369 L HN -0.127 nan 8.230 nan 0.000 0.403 370 I N 6.226 126.849 120.570 0.088 0.000 2.339 370 I HA 0.409 4.579 4.170 0.000 0.000 0.290 370 I C -0.507 175.736 176.117 0.210 0.000 0.994 370 I CA -0.405 60.985 61.300 0.149 0.000 1.191 370 I CB 1.506 39.600 38.000 0.156 0.000 1.343 370 I HN 0.497 nan 8.210 nan 0.000 0.458 371 I N 6.637 127.335 120.570 0.212 0.000 2.310 371 I HA 0.361 4.531 4.170 0.000 0.000 0.287 371 I C 0.512 176.779 176.117 0.250 0.000 1.073 371 I CA -0.345 61.103 61.300 0.246 0.000 1.216 371 I CB 1.002 39.116 38.000 0.190 0.000 1.415 371 I HN 0.562 nan 8.210 nan 0.000 0.480 372 A N 6.695 129.708 122.820 0.322 0.000 2.347 372 A HA 0.590 4.910 4.320 0.000 0.000 0.287 372 A C -0.180 177.543 177.584 0.232 0.000 1.199 372 A CA -0.248 51.892 52.037 0.172 0.000 0.851 372 A CB 0.353 19.480 19.000 0.212 0.000 1.118 372 A HN 0.475 nan 8.150 nan 0.000 0.525 373 V N 2.670 122.568 119.914 -0.025 0.000 2.349 373 V HA 0.573 4.693 4.120 0.000 0.000 0.284 373 V C 1.013 177.058 176.094 -0.083 0.000 1.014 373 V CA 0.365 62.663 62.300 -0.004 0.000 0.826 373 V CB 0.739 32.474 31.823 -0.146 0.000 1.009 373 V HN 1.799 nan 8.190 nan 0.000 0.431 374 G N 4.047 112.855 108.800 0.014 0.000 2.295 374 G HA2 0.073 4.033 3.960 0.000 0.000 0.287 374 G HA3 0.073 4.033 3.960 0.000 0.000 0.287 374 G C 0.111 174.952 174.900 -0.097 0.000 1.055 374 G CA 0.466 45.551 45.100 -0.025 0.000 0.922 374 G HN 1.592 nan 8.290 nan 0.000 0.503 375 A N -0.517 122.230 122.820 -0.122 0.000 2.449 375 A HA 0.874 5.194 4.320 0.000 0.000 0.302 375 A C 0.702 178.285 177.584 -0.002 0.000 1.048 375 A CA -0.048 51.823 52.037 -0.276 0.000 0.708 375 A CB 0.938 19.338 19.000 -1.000 0.000 1.274 375 A HN 1.076 nan 8.150 nan 0.000 0.410 376 R N 0.773 121.314 120.500 0.068 0.000 2.507 376 R HA 0.400 4.740 4.340 0.000 0.000 0.298 376 R C -1.040 175.490 176.300 0.383 0.000 0.999 376 R CA -0.118 56.141 56.100 0.264 0.000 1.082 376 R CB -0.548 29.839 30.300 0.145 0.000 1.246 376 R HN 0.606 nan 8.270 nan 0.000 0.553 377 F N 2.796 122.813 119.950 0.111 0.000 3.027 377 F HA -0.272 4.255 4.527 0.000 0.000 0.276 377 F C 0.139 175.886 175.800 -0.088 0.000 0.967 377 F CA 1.040 59.033 58.000 -0.012 0.000 0.929 377 F CB -1.915 37.009 39.000 -0.127 0.000 0.873 377 F HN 0.466 nan 8.300 nan 0.000 0.787 378 D N 0.700 121.141 120.400 0.068 0.000 2.371 378 D HA 0.069 4.709 4.640 0.000 0.000 0.242 378 D C 1.105 177.384 176.300 -0.036 0.000 1.218 378 D CA 0.321 54.329 54.000 0.013 0.000 0.945 378 D CB 0.757 41.556 40.800 -0.002 0.000 1.137 378 D HN 0.385 nan 8.370 nan 0.000 0.464 379 D N -0.579 119.798 120.400 -0.038 0.000 2.378 379 D HA -0.150 4.490 4.640 0.000 0.000 0.222 379 D C 1.239 177.512 176.300 -0.044 0.000 0.980 379 D CA 0.468 54.438 54.000 -0.049 0.000 0.907 379 D CB 0.037 40.815 40.800 -0.036 0.000 0.899 379 D HN 0.126 nan 8.370 nan 0.000 0.527 380 R N -0.002 120.474 120.500 -0.041 0.000 2.276 380 R HA 0.205 4.545 4.340 0.000 0.000 0.196 380 R C 1.487 177.762 176.300 -0.042 0.000 0.961 380 R CA 0.140 56.221 56.100 -0.032 0.000 1.024 380 R CB 0.075 30.359 30.300 -0.026 0.000 0.940 380 R HN 0.274 nan 8.270 nan 0.000 0.480 381 V N 0.162 120.037 119.914 -0.066 0.000 2.788 381 V HA -0.076 4.044 4.120 0.000 0.000 0.241 381 V C 2.197 178.198 176.094 -0.155 0.000 1.083 381 V CA 1.834 64.076 62.300 -0.097 0.000 1.103 381 V CB 0.216 31.978 31.823 -0.101 0.000 0.800 381 V HN 0.343 nan 8.190 nan 0.000 0.476 382 T N -1.954 112.456 114.554 -0.240 0.000 3.023 382 T HA 0.291 4.641 4.350 0.000 0.000 0.266 382 T C 1.288 175.940 174.700 -0.080 0.000 1.093 382 T CA 0.979 62.851 62.100 -0.381 0.000 1.129 382 T CB -0.076 68.425 68.868 -0.610 0.000 0.899 382 T HN 1.028 nan 8.240 nan 0.000 0.491 383 G N 2.073 110.848 108.800 -0.041 0.000 2.645 383 G HA2 -0.279 3.681 3.960 0.000 0.000 0.246 383 G HA3 -0.279 3.681 3.960 0.000 0.000 0.246 383 G C -0.351 174.558 174.900 0.015 0.000 1.322 383 G CA -0.242 44.867 45.100 0.015 0.000 0.898 383 G HN 0.762 nan 8.290 nan 0.000 0.573 384 N N 0.515 119.238 118.700 0.038 0.000 2.417 384 N HA 0.106 4.846 4.740 0.000 0.000 0.272 384 N C 1.607 177.153 175.510 0.059 0.000 1.304 384 N CA 0.354 53.425 53.050 0.035 0.000 0.906 384 N CB 0.621 39.128 38.487 0.034 0.000 1.135 384 N HN 0.710 nan 8.380 nan 0.000 0.483 385 I N 3.815 124.401 120.570 0.027 0.000 2.248 385 I HA -0.281 3.889 4.170 0.000 0.000 0.248 385 I C 2.153 178.330 176.117 0.099 0.000 1.107 385 I CA 1.613 62.938 61.300 0.042 0.000 1.373 385 I CB -0.446 37.545 38.000 -0.014 0.000 1.055 385 I HN 0.719 nan 8.210 nan 0.000 0.418 386 S N -0.834 114.904 115.700 0.063 0.000 2.515 386 S HA -0.084 4.386 4.470 0.000 0.000 0.231 386 S C 1.756 176.397 174.600 0.067 0.000 0.987 386 S CA 0.645 58.879 58.200 0.057 0.000 0.936 386 S CB -0.448 62.771 63.200 0.030 0.000 0.766 386 S HN 0.535 nan 8.310 nan 0.000 0.528 387 K N -0.106 120.346 120.400 0.087 0.000 2.358 387 K HA 0.288 4.608 4.320 0.000 0.000 0.200 387 K C -0.265 176.400 176.600 0.107 0.000 1.030 387 K CA -0.457 55.873 56.287 0.071 0.000 1.097 387 K CB 0.164 32.693 32.500 0.049 0.000 0.862 387 K HN 0.400 nan 8.250 nan 0.000 0.534 388 F N 2.677 122.623 119.950 -0.006 0.000 2.538 388 F HA 0.162 4.689 4.527 0.000 0.000 0.371 388 F C 0.602 176.404 175.800 0.003 0.000 1.087 388 F CA -0.447 57.551 58.000 -0.004 0.000 1.250 388 F CB 0.317 39.321 39.000 0.007 0.000 1.110 388 F HN 0.239 nan 8.300 nan 0.000 0.570 389 A N 6.545 128.904 122.820 -0.769 0.000 2.312 389 A HA -0.191 4.130 4.320 0.000 0.000 0.286 389 A C -1.704 175.728 177.584 -0.253 0.000 1.425 389 A CA 0.500 52.163 52.037 -0.624 0.000 0.748 389 A CB -1.845 16.607 19.000 -0.912 0.000 1.126 389 A HN 0.691 nan 8.150 nan 0.000 0.368 390 P HA -0.167 nan 4.420 nan 0.000 0.217 390 P C 1.211 178.476 177.300 -0.059 0.000 1.150 390 P CA 1.377 64.436 63.100 -0.069 0.000 0.832 390 P CB 0.182 31.858 31.700 -0.040 0.000 0.787 391 E N -0.013 120.150 120.200 -0.063 0.000 2.150 391 E HA -0.059 4.291 4.350 0.000 0.000 0.193 391 E C 2.164 178.726 176.600 -0.063 0.000 0.985 391 E CA 1.143 57.513 56.400 -0.051 0.000 0.814 391 E CB -0.659 29.018 29.700 -0.038 0.000 0.752 391 E HN 0.226 nan 8.360 nan 0.000 0.466 392 A N 1.383 124.154 122.820 -0.082 0.000 1.929 392 A HA -0.125 4.195 4.320 0.000 0.000 0.216 392 A C 2.493 180.051 177.584 -0.043 0.000 1.176 392 A CA 2.064 54.063 52.037 -0.064 0.000 0.628 392 A CB -0.640 18.315 19.000 -0.075 0.000 0.816 392 A HN 0.278 nan 8.150 nan 0.000 0.444 393 R N 0.171 120.643 120.500 -0.047 0.000 2.081 393 R HA -0.061 4.279 4.340 0.000 0.000 0.235 393 R C 2.311 178.598 176.300 -0.021 0.000 1.131 393 R CA 1.896 57.982 56.100 -0.024 0.000 0.960 393 R CB -1.050 29.239 30.300 -0.019 0.000 0.856 393 R HN 0.686 nan 8.270 nan 0.000 0.436 394 R N -0.252 120.232 120.500 -0.026 0.000 2.081 394 R HA -0.004 4.336 4.340 0.000 0.000 0.235 394 R C 2.581 178.868 176.300 -0.023 0.000 1.131 394 R CA 1.538 57.625 56.100 -0.021 0.000 0.960 394 R CB -0.474 29.813 30.300 -0.022 0.000 0.856 394 R HN 0.488 nan 8.270 nan 0.000 0.436 395 A N 0.511 123.313 122.820 -0.030 0.000 1.930 395 A HA -0.059 4.261 4.320 0.000 0.000 0.217 395 A C 2.306 179.878 177.584 -0.021 0.000 1.175 395 A CA 1.517 53.536 52.037 -0.030 0.000 0.627 395 A CB -0.661 18.314 19.000 -0.042 0.000 0.815 395 A HN 0.530 nan 8.150 nan 0.000 0.443 396 A N -0.054 122.756 122.820 -0.017 0.000 1.898 396 A HA 0.184 4.505 4.320 0.000 0.000 0.216 396 A C 2.464 180.042 177.584 -0.009 0.000 1.181 396 A CA 1.900 53.931 52.037 -0.010 0.000 0.620 396 A CB -0.960 18.037 19.000 -0.006 0.000 0.819 396 A HN 1.062 nan 8.150 nan 0.000 0.442 397 A N -0.387 122.427 122.820 -0.010 0.000 2.019 397 A HA -0.117 4.203 4.320 0.000 0.000 0.219 397 A C 1.663 179.242 177.584 -0.008 0.000 1.164 397 A CA 1.527 53.559 52.037 -0.008 0.000 0.644 397 A CB -0.344 18.652 19.000 -0.008 0.000 0.805 397 A HN 0.630 nan 8.150 nan 0.000 0.449 398 E N -1.263 118.930 120.200 -0.011 0.000 2.465 398 E HA 0.312 4.662 4.350 0.000 0.000 0.195 398 E C 0.870 177.464 176.600 -0.010 0.000 1.028 398 E CA 0.102 56.495 56.400 -0.010 0.000 0.899 398 E CB -0.020 29.672 29.700 -0.013 0.000 1.032 398 E HN 0.630 nan 8.360 nan 0.000 0.468 399 G N 3.039 111.834 108.800 -0.009 0.000 2.296 399 G HA2 -0.363 3.597 3.960 0.000 0.000 0.282 399 G HA3 -0.363 3.597 3.960 0.000 0.000 0.282 399 G C 0.708 175.602 174.900 -0.010 0.000 1.014 399 G CA 1.051 46.146 45.100 -0.008 0.000 0.812 399 G HN 0.457 nan 8.290 nan 0.000 0.508 400 R N -1.172 119.319 120.500 -0.015 0.000 2.600 400 R HA 0.568 4.908 4.340 0.000 0.000 0.392 400 R C 0.830 177.116 176.300 -0.024 0.000 1.032 400 R CA 0.390 56.479 56.100 -0.018 0.000 1.139 400 R CB 0.548 30.834 30.300 -0.022 0.000 1.400 400 R HN 1.175 nan 8.270 nan 0.000 0.566 401 G N -0.961 107.827 108.800 -0.019 0.000 2.441 401 G HA2 0.435 4.396 3.960 0.000 0.000 0.225 401 G HA3 0.435 4.396 3.960 0.000 0.000 0.225 401 G C -0.333 174.563 174.900 -0.007 0.000 1.200 401 G CA -0.094 44.995 45.100 -0.018 0.000 0.947 401 G HN 0.534 nan 8.290 nan 0.000 0.484 402 G N -1.075 107.723 108.800 -0.003 0.000 2.348 402 G HA2 0.306 4.266 3.960 0.000 0.000 0.199 402 G HA3 0.306 4.266 3.960 0.000 0.000 0.199 402 G C -1.148 173.778 174.900 0.043 0.000 1.235 402 G CA -0.082 45.025 45.100 0.011 0.000 1.264 402 G HN 1.339 nan 8.290 nan 0.000 0.543 403 I N 1.137 121.746 120.570 0.066 0.000 2.533 403 I HA 0.552 4.722 4.170 0.000 0.000 0.290 403 I C -0.382 175.810 176.117 0.124 0.000 1.056 403 I CA -0.702 60.674 61.300 0.128 0.000 1.057 403 I CB 1.980 40.078 38.000 0.162 0.000 1.240 403 I HN 0.391 nan 8.210 nan 0.000 0.423 404 I N 4.959 125.631 120.570 0.171 0.000 2.441 404 I HA 0.352 4.522 4.170 0.000 0.000 0.295 404 I C -0.417 175.860 176.117 0.267 0.000 0.994 404 I CA -0.489 60.894 61.300 0.139 0.000 1.144 404 I CB 1.627 39.706 38.000 0.131 0.000 1.314 404 I HN 0.574 nan 8.210 nan 0.000 0.445 405 H N 6.176 125.262 119.070 0.027 0.000 2.906 405 H HA 0.370 4.926 4.556 0.000 0.000 0.324 405 H C -1.447 173.858 175.328 -0.038 0.000 0.973 405 H CA -0.780 55.339 56.048 0.118 0.000 1.321 405 H CB 1.060 30.911 29.762 0.148 0.000 1.535 405 H HN 0.390 nan 8.280 nan 0.000 0.518 406 F N 3.829 123.848 119.950 0.116 0.000 2.377 406 F HA 0.150 4.677 4.527 0.000 0.000 0.360 406 F C 0.298 175.996 175.800 -0.170 0.000 1.147 406 F CA -0.356 57.621 58.000 -0.039 0.000 1.170 406 F CB 0.700 39.695 39.000 -0.008 0.000 1.339 406 F HN 0.546 nan 8.300 nan 0.000 0.552 407 E N 2.007 122.072 120.200 -0.225 0.000 2.248 407 E HA 0.352 4.702 4.350 0.000 0.000 0.267 407 E C -0.346 176.179 176.600 -0.125 0.000 0.877 407 E CA -0.517 55.711 56.400 -0.287 0.000 0.759 407 E CB 2.051 31.355 29.700 -0.659 0.000 1.182 407 E HN 0.254 nan 8.360 nan 0.000 0.418 408 V N 2.905 122.781 119.914 -0.064 0.000 3.235 408 V HA 0.215 4.335 4.120 0.000 0.000 0.259 408 V C 0.253 176.329 176.094 -0.030 0.000 1.133 408 V CA 1.276 63.560 62.300 -0.028 0.000 1.128 408 V CB 0.316 32.136 31.823 -0.005 0.000 0.757 408 V HN 0.547 nan 8.190 nan 0.000 0.469 409 S N -0.404 115.270 115.700 -0.043 0.000 2.498 409 S HA 0.488 4.958 4.470 0.000 0.000 0.317 409 S C -1.666 172.918 174.600 -0.028 0.000 1.090 409 S CA -1.229 56.953 58.200 -0.030 0.000 1.089 409 S CB 1.751 64.932 63.200 -0.031 0.000 0.997 409 S HN 0.185 nan 8.310 nan 0.000 0.470 410 P HA -0.047 nan 4.420 nan 0.000 0.219 410 P C 1.619 178.919 177.300 0.000 0.000 1.146 410 P CA 1.408 64.504 63.100 -0.007 0.000 0.808 410 P CB 0.072 31.771 31.700 -0.002 0.000 0.779 411 K N -0.229 120.171 120.400 0.001 0.000 2.147 411 K HA -0.122 4.199 4.320 0.000 0.000 0.205 411 K C 1.630 178.240 176.600 0.018 0.000 1.049 411 K CA 1.664 57.956 56.287 0.009 0.000 0.936 411 K CB -1.530 30.974 32.500 0.007 0.000 0.722 411 K HN 0.194 nan 8.250 nan 0.000 0.446 412 N N -0.212 118.503 118.700 0.025 0.000 2.268 412 N HA 0.228 4.968 4.740 0.000 0.000 0.204 412 N C -0.594 174.987 175.510 0.119 0.000 1.124 412 N CA -0.073 53.021 53.050 0.074 0.000 0.838 412 N CB 0.297 38.844 38.487 0.099 0.000 0.994 412 N HN 0.460 nan 8.380 nan 0.000 0.489 413 I N 0.918 121.521 120.570 0.055 0.000 2.325 413 I HA 0.063 4.233 4.170 0.000 0.000 0.291 413 I C 0.073 176.218 176.117 0.045 0.000 1.019 413 I CA -0.191 61.150 61.300 0.069 0.000 1.302 413 I CB 0.270 38.276 38.000 0.011 0.000 1.401 413 I HN 0.148 nan 8.210 nan 0.000 0.485 414 N N 4.101 122.821 118.700 0.034 0.000 2.735 414 N HA -0.226 4.514 4.740 0.000 0.000 0.248 414 N C 1.105 176.589 175.510 -0.042 0.000 1.083 414 N CA 0.557 53.586 53.050 -0.034 0.000 0.703 414 N CB -0.530 37.948 38.487 -0.015 0.000 1.005 414 N HN 0.635 nan 8.380 nan 0.000 0.550 415 K N 0.108 120.485 120.400 -0.040 0.000 2.284 415 K HA 0.092 4.412 4.320 0.000 0.000 0.198 415 K C 1.252 177.818 176.600 -0.058 0.000 1.048 415 K CA 0.937 57.207 56.287 -0.029 0.000 0.987 415 K CB 0.526 33.028 32.500 0.003 0.000 0.800 415 K HN 0.156 nan 8.250 nan 0.000 0.486 416 V N 0.504 120.348 119.914 -0.118 0.000 2.911 416 V HA 0.079 4.199 4.120 0.000 0.000 0.237 416 V C 0.540 176.536 176.094 -0.165 0.000 1.156 416 V CA 0.306 62.526 62.300 -0.133 0.000 1.180 416 V CB 1.328 33.069 31.823 -0.137 0.000 0.932 416 V HN 0.175 nan 8.190 nan 0.000 0.483 417 V N -1.774 117.981 119.914 -0.266 0.000 3.078 417 V HA 0.558 4.678 4.120 0.000 0.000 0.311 417 V C -0.634 175.354 176.094 -0.175 0.000 1.138 417 V CA -0.936 61.248 62.300 -0.193 0.000 1.007 417 V CB 1.840 33.555 31.823 -0.180 0.000 1.045 417 V HN 0.328 nan 8.190 nan 0.000 0.432 418 Q N 1.934 121.681 119.800 -0.089 0.000 2.297 418 Q HA 0.481 4.821 4.340 0.000 0.000 0.267 418 Q C -0.001 175.963 176.000 -0.060 0.000 1.006 418 Q CA 0.046 55.812 55.803 -0.061 0.000 0.896 418 Q CB 1.041 29.762 28.738 -0.029 0.000 1.186 418 Q HN 1.110 nan 8.270 nan 0.000 0.392 419 T N 1.044 115.568 114.554 -0.049 0.000 2.925 419 T HA 0.271 4.621 4.350 0.000 0.000 0.285 419 T C 0.461 175.162 174.700 0.003 0.000 1.021 419 T CA -0.780 61.310 62.100 -0.017 0.000 1.042 419 T CB 1.702 70.574 68.868 0.008 0.000 1.037 419 T HN 0.567 nan 8.240 nan 0.000 0.481 420 Q N 0.819 120.627 119.800 0.012 0.000 2.163 420 Q HA 0.421 4.761 4.340 0.000 0.000 0.198 420 Q C 0.044 176.040 176.000 -0.007 0.000 0.954 420 Q CA 1.121 56.926 55.803 0.004 0.000 0.851 420 Q CB 0.024 28.764 28.738 0.005 0.000 0.928 420 Q HN 0.757 nan 8.270 nan 0.000 0.459 421 I N -0.040 120.523 120.570 -0.013 0.000 2.571 421 I HA 0.558 4.728 4.170 0.000 0.000 0.289 421 I C -1.344 174.727 176.117 -0.077 0.000 1.115 421 I CA -1.152 60.113 61.300 -0.058 0.000 1.045 421 I CB 2.194 40.139 38.000 -0.092 0.000 1.238 421 I HN -0.169 nan 8.210 nan 0.000 0.424 422 A N 6.315 129.078 122.820 -0.096 0.000 2.273 422 A HA 0.738 5.058 4.320 0.000 0.000 0.315 422 A C -0.677 176.764 177.584 -0.239 0.000 1.256 422 A CA -0.502 51.465 52.037 -0.117 0.000 0.851 422 A CB 1.097 20.077 19.000 -0.034 0.000 1.172 422 A HN 0.439 nan 8.150 nan 0.000 0.508 423 V N 4.071 123.748 119.914 -0.395 0.000 2.318 423 V HA 0.173 4.293 4.120 0.000 0.000 0.271 423 V C 0.154 176.094 176.094 -0.258 0.000 1.030 423 V CA -0.375 61.659 62.300 -0.443 0.000 0.844 423 V CB 0.472 31.791 31.823 -0.840 0.000 1.015 423 V HN 0.970 nan 8.190 nan 0.000 0.460 424 E N 3.418 123.531 120.200 -0.145 0.000 2.366 424 E HA 0.602 4.952 4.350 0.000 0.000 0.266 424 E C 0.762 177.350 176.600 -0.020 0.000 1.051 424 E CA 0.500 56.867 56.400 -0.055 0.000 0.884 424 E CB 1.195 30.912 29.700 0.029 0.000 1.006 424 E HN 0.977 nan 8.360 nan 0.000 0.417 425 G N 2.439 111.237 108.800 -0.003 0.000 2.409 425 G HA2 -0.199 3.761 3.960 0.000 0.000 0.421 425 G HA3 -0.199 3.761 3.960 0.000 0.000 0.421 425 G C -1.134 173.790 174.900 0.039 0.000 1.259 425 G CA -0.616 44.497 45.100 0.022 0.000 1.011 425 G HN 0.685 nan 8.290 nan 0.000 0.497 426 D N 0.672 121.101 120.400 0.049 0.000 2.450 426 D HA 0.564 5.204 4.640 0.000 0.000 0.247 426 D C 1.455 177.791 176.300 0.061 0.000 1.162 426 D CA 1.277 55.311 54.000 0.056 0.000 0.879 426 D CB 1.118 41.960 40.800 0.071 0.000 1.163 426 D HN 1.041 nan 8.370 nan 0.000 0.472 427 A N 3.225 126.081 122.820 0.061 0.000 1.858 427 A HA -0.177 4.143 4.320 0.000 0.000 0.216 427 A C 2.159 179.700 177.584 -0.071 0.000 1.190 427 A CA 1.909 53.979 52.037 0.055 0.000 0.617 427 A CB -0.911 18.094 19.000 0.008 0.000 0.827 427 A HN 0.688 nan 8.150 nan 0.000 0.443 428 T N 0.019 114.504 114.554 -0.115 0.000 2.635 428 T HA -0.163 4.187 4.350 0.000 0.000 0.267 428 T C 2.019 176.577 174.700 -0.236 0.000 1.040 428 T CA 2.113 64.079 62.100 -0.223 0.000 1.156 428 T CB -0.751 67.892 68.868 -0.374 0.000 0.863 428 T HN 0.572 nan 8.240 nan 0.000 0.430 429 T N 2.513 116.939 114.554 -0.213 0.000 2.684 429 T HA -0.122 4.228 4.350 0.000 0.000 0.267 429 T C 2.007 176.682 174.700 -0.041 0.000 1.036 429 T CA 1.140 63.165 62.100 -0.125 0.000 1.148 429 T CB -0.383 68.460 68.868 -0.042 0.000 0.863 429 T HN 0.312 nan 8.240 nan 0.000 0.436 430 N N 1.013 119.726 118.700 0.022 0.000 2.331 430 N HA 0.087 4.828 4.740 0.000 0.000 0.180 430 N C 1.834 177.402 175.510 0.097 0.000 1.019 430 N CA 0.572 53.691 53.050 0.115 0.000 0.881 430 N CB -0.366 38.287 38.487 0.276 0.000 0.972 430 N HN 0.360 nan 8.380 nan 0.000 0.435 431 L N 0.080 121.268 121.223 -0.059 0.000 2.093 431 L HA -0.034 4.307 4.340 0.000 0.000 0.208 431 L C 2.361 179.191 176.870 -0.068 0.000 1.085 431 L CA 1.100 55.850 54.840 -0.150 0.000 0.755 431 L CB -0.738 41.165 42.059 -0.261 0.000 0.904 431 L HN 0.185 nan 8.230 nan 0.000 0.435 432 G N 0.045 108.806 108.800 -0.065 0.000 2.422 432 G HA2 -0.228 3.732 3.960 0.000 0.000 0.218 432 G HA3 -0.228 3.732 3.960 0.000 0.000 0.218 432 G C 1.696 176.588 174.900 -0.013 0.000 1.146 432 G CA 0.446 45.521 45.100 -0.042 0.000 0.769 432 G HN 0.301 nan 8.290 nan 0.000 0.547 433 K N -0.633 119.767 120.400 0.000 0.000 2.155 433 K HA 0.161 4.481 4.320 0.000 0.000 0.203 433 K C 2.374 178.984 176.600 0.016 0.000 1.052 433 K CA 0.865 57.158 56.287 0.011 0.000 0.948 433 K CB -0.149 32.360 32.500 0.016 0.000 0.728 433 K HN 0.333 nan 8.250 nan 0.000 0.448 434 M N 0.229 119.847 119.600 0.030 0.000 2.288 434 M HA -0.093 4.388 4.480 0.000 0.000 0.266 434 M C 2.040 178.345 176.300 0.008 0.000 1.072 434 M CA 0.902 56.221 55.300 0.031 0.000 1.132 434 M CB 0.079 32.734 32.600 0.091 0.000 1.386 434 M HN 0.052 nan 8.290 nan 0.000 0.432 435 M N 0.849 120.451 119.600 0.003 0.000 2.147 435 M HA -0.276 4.204 4.480 0.000 0.000 0.253 435 M C 2.257 178.564 176.300 0.012 0.000 1.075 435 M CA 2.704 58.006 55.300 0.003 0.000 1.085 435 M CB -0.705 31.897 32.600 0.002 0.000 1.305 435 M HN 0.528 nan 8.290 nan 0.000 0.409 436 S N -1.379 114.330 115.700 0.016 0.000 2.500 436 S HA -0.133 4.338 4.470 0.000 0.000 0.239 436 S C 1.637 176.256 174.600 0.031 0.000 0.989 436 S CA 1.270 59.488 58.200 0.030 0.000 0.951 436 S CB -0.628 62.589 63.200 0.029 0.000 0.759 436 S HN 0.649 nan 8.310 nan 0.000 0.523 437 K N 0.245 120.641 120.400 -0.006 0.000 2.393 437 K HA 0.294 4.614 4.320 0.000 0.000 0.193 437 K C -0.195 176.299 176.600 -0.176 0.000 1.026 437 K CA -0.050 56.202 56.287 -0.059 0.000 1.064 437 K CB 0.187 32.645 32.500 -0.071 0.000 0.833 437 K HN 0.352 nan 8.250 nan 0.000 0.521 438 I N 2.356 122.867 120.570 -0.098 0.000 2.352 438 I HA 0.094 4.264 4.170 0.000 0.000 0.290 438 I C -0.005 176.122 176.117 0.016 0.000 1.036 438 I CA -0.566 60.660 61.300 -0.123 0.000 1.336 438 I CB -0.156 37.826 38.000 -0.031 0.000 1.407 438 I HN -0.106 nan 8.210 nan 0.000 0.497 439 F N 7.381 127.343 119.950 0.020 0.000 2.504 439 F HA 0.291 4.818 4.527 0.000 0.000 0.369 439 F C -1.623 174.187 175.800 0.017 0.000 1.082 439 F CA -2.823 55.186 58.000 0.015 0.000 1.216 439 F CB -0.613 38.393 39.000 0.010 0.000 1.108 439 F HN 0.259 nan 8.300 nan 0.000 0.554 440 P HA 0.103 nan 4.420 nan 0.000 0.268 440 P C -0.731 176.630 177.300 0.101 0.000 1.204 440 P CA 0.013 63.185 63.100 0.120 0.000 0.768 440 P CB 0.672 32.422 31.700 0.084 0.000 0.842 441 V N 4.409 124.369 119.914 0.077 0.000 2.435 441 V HA 0.189 4.309 4.120 0.000 0.000 0.290 441 V C 1.578 177.683 176.094 0.018 0.000 1.030 441 V CA -0.288 62.041 62.300 0.048 0.000 0.881 441 V CB 1.600 33.450 31.823 0.044 0.000 0.983 441 V HN 0.584 nan 8.190 nan 0.000 0.445 442 K N 3.338 123.737 120.400 -0.003 0.000 2.031 442 K HA 0.148 4.468 4.320 0.000 0.000 0.205 442 K C 0.559 177.131 176.600 -0.047 0.000 1.049 442 K CA 1.732 58.010 56.287 -0.015 0.000 0.939 442 K CB 0.255 32.744 32.500 -0.019 0.000 0.717 442 K HN 0.925 nan 8.250 nan 0.000 0.438 443 E N -0.088 120.060 120.200 -0.088 0.000 2.403 443 E HA 0.371 4.721 4.350 0.000 0.000 0.280 443 E C -1.300 175.153 176.600 -0.244 0.000 1.101 443 E CA -0.751 55.538 56.400 -0.185 0.000 0.856 443 E CB 0.874 30.491 29.700 -0.138 0.000 1.303 443 E HN 0.271 nan 8.360 nan 0.000 0.441 444 R N 1.202 121.418 120.500 -0.473 0.000 2.674 444 R HA 0.350 4.690 4.340 0.000 0.000 0.270 444 R C 0.616 176.734 176.300 -0.303 0.000 1.492 444 R CA -0.034 55.850 56.100 -0.360 0.000 1.624 444 R CB 0.691 30.780 30.300 -0.353 0.000 1.307 444 R HN 0.484 nan 8.270 nan 0.000 0.683 445 S N 1.197 116.805 115.700 -0.153 0.000 2.365 445 S HA -0.225 4.245 4.470 0.000 0.000 0.225 445 S C 1.552 176.184 174.600 0.053 0.000 1.039 445 S CA 1.494 59.671 58.200 -0.038 0.000 1.033 445 S CB 0.095 63.280 63.200 -0.025 0.000 0.887 445 S HN 0.516 nan 8.310 nan 0.000 0.447 446 E N -0.050 120.189 120.200 0.065 0.000 2.031 446 E HA -0.174 4.176 4.350 0.000 0.000 0.193 446 E C 1.870 178.602 176.600 0.220 0.000 0.994 446 E CA 1.055 57.517 56.400 0.104 0.000 0.800 446 E CB -0.243 29.507 29.700 0.084 0.000 0.752 446 E HN 0.671 nan 8.360 nan 0.000 0.447 447 W N 0.395 121.715 121.300 0.033 0.000 2.333 447 W HA -0.263 4.397 4.660 0.000 0.000 0.316 447 W C 1.741 178.399 176.519 0.233 0.000 1.215 447 W CA 0.707 58.122 57.345 0.116 0.000 1.278 447 W CB -0.124 29.439 29.460 0.173 0.000 1.154 447 W HN 0.073 nan 8.180 nan 0.000 0.486 448 F N 0.810 120.769 119.950 0.015 0.000 2.171 448 F HA -0.134 4.393 4.527 0.000 0.000 0.300 448 F C 2.645 178.353 175.800 -0.153 0.000 1.090 448 F CA 1.403 59.322 58.000 -0.134 0.000 1.293 448 F CB -1.663 37.314 39.000 -0.037 0.000 1.013 448 F HN -0.081 nan 8.300 nan 0.000 0.486 449 A N -0.464 122.413 122.820 0.095 0.000 1.873 449 A HA -0.250 4.070 4.320 0.000 0.000 0.215 449 A C 2.157 179.646 177.584 -0.160 0.000 1.186 449 A CA 1.760 53.785 52.037 -0.020 0.000 0.616 449 A CB -0.884 18.113 19.000 -0.004 0.000 0.823 449 A HN 0.340 nan 8.150 nan 0.000 0.442 450 Q N 0.271 119.938 119.800 -0.222 0.000 2.061 450 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 450 Q C 1.734 177.245 176.000 -0.814 0.000 0.984 450 Q CA 2.104 57.584 55.803 -0.538 0.000 0.846 450 Q CB -0.533 27.918 28.738 -0.478 0.000 0.902 450 Q HN 0.677 nan 8.270 nan 0.000 0.421 451 I N 0.543 120.756 120.570 -0.596 0.000 2.286 451 I HA -0.276 3.894 4.170 0.000 0.000 0.248 451 I C 1.716 177.722 176.117 -0.185 0.000 1.115 451 I CA 1.050 62.126 61.300 -0.373 0.000 1.392 451 I CB -0.418 37.289 38.000 -0.488 0.000 1.065 451 I HN 0.287 nan 8.210 nan 0.000 0.418 452 N N 1.228 119.810 118.700 -0.196 0.000 2.309 452 N HA -0.154 4.586 4.740 0.000 0.000 0.182 452 N C 2.043 177.502 175.510 -0.084 0.000 1.018 452 N CA 1.667 54.651 53.050 -0.110 0.000 0.876 452 N CB -0.255 38.183 38.487 -0.082 0.000 0.972 452 N HN 0.412 nan 8.380 nan 0.000 0.434 453 K N 0.600 120.905 120.400 -0.158 0.000 2.097 453 K HA -0.073 4.247 4.320 0.000 0.000 0.205 453 K C 1.828 178.435 176.600 0.011 0.000 1.050 453 K CA 0.891 57.104 56.287 -0.123 0.000 0.938 453 K CB -1.142 31.229 32.500 -0.216 0.000 0.718 453 K HN 0.202 nan 8.250 nan 0.000 0.442 454 W N 1.379 122.681 121.300 0.004 0.000 2.388 454 W HA 0.014 4.674 4.660 0.000 0.000 0.294 454 W C 2.060 178.605 176.519 0.043 0.000 1.212 454 W CA 0.998 58.397 57.345 0.090 0.000 1.271 454 W CB -0.358 29.165 29.460 0.106 0.000 1.126 454 W HN 0.361 nan 8.180 nan 0.000 0.535 455 K N 0.402 120.915 120.400 0.189 0.000 2.097 455 K HA -0.172 4.149 4.320 0.000 0.000 0.206 455 K C 2.426 179.043 176.600 0.028 0.000 1.049 455 K CA 2.312 58.639 56.287 0.067 0.000 0.933 455 K CB -0.331 32.170 32.500 0.002 0.000 0.717 455 K HN 0.091 nan 8.250 nan 0.000 0.442 456 K N 1.319 121.725 120.400 0.009 0.000 2.155 456 K HA -0.125 4.195 4.320 0.000 0.000 0.203 456 K C 1.831 178.399 176.600 -0.054 0.000 1.052 456 K CA 1.665 57.940 56.287 -0.020 0.000 0.948 456 K CB -0.329 32.154 32.500 -0.028 0.000 0.728 456 K HN 0.166 nan 8.250 nan 0.000 0.448 457 E N -0.875 119.266 120.200 -0.098 0.000 2.112 457 E HA 0.005 4.355 4.350 0.000 0.000 0.190 457 E C -0.181 176.140 176.600 -0.465 0.000 0.979 457 E CA 0.875 57.080 56.400 -0.326 0.000 0.814 457 E CB -0.038 29.370 29.700 -0.486 0.000 0.762 457 E HN 0.722 nan 8.360 nan 0.000 0.460 458 Y N 1.395 121.734 120.300 0.066 0.000 2.553 458 Y HA 0.364 4.914 4.550 0.000 0.000 0.369 458 Y C -2.054 173.800 175.900 -0.077 0.000 0.964 458 Y CA -2.384 55.719 58.100 0.006 0.000 1.156 458 Y CB 0.614 39.039 38.460 -0.058 0.000 1.218 458 Y HN 0.074 nan 8.280 nan 0.000 0.630 459 P HA 0.014 nan 4.420 nan 0.000 0.277 459 P C -0.479 176.863 177.300 0.070 0.000 1.271 459 P CA -0.302 62.802 63.100 0.007 0.000 0.795 459 P CB 1.092 32.822 31.700 0.050 0.000 1.101 460 Y N -0.211 120.150 120.300 0.101 0.000 2.889 460 Y HA 0.217 4.767 4.550 0.000 0.000 0.367 460 Y C 1.435 177.482 175.900 0.244 0.000 1.197 460 Y CA -0.854 57.324 58.100 0.129 0.000 1.993 460 Y CB -0.781 37.674 38.460 -0.009 0.000 2.112 460 Y HN 0.323 nan 8.280 nan 0.000 0.413 461 A N 2.117 125.120 122.820 0.305 0.000 2.425 461 A HA 0.428 4.748 4.320 0.000 0.000 0.242 461 A C -0.631 176.819 177.584 -0.224 0.000 1.077 461 A CA 0.033 52.134 52.037 0.107 0.000 0.781 461 A CB 0.039 19.167 19.000 0.214 0.000 1.020 461 A HN 0.701 nan 8.150 nan 0.000 0.494 462 Y N -1.537 118.265 120.300 -0.830 0.000 2.713 462 Y HA 0.603 5.153 4.550 0.000 0.000 0.335 462 Y C -0.780 174.520 175.900 -1.001 0.000 1.222 462 Y CA -1.634 55.687 58.100 -1.299 0.000 1.061 462 Y CB 0.983 39.113 38.460 -0.551 0.000 1.314 462 Y HN 0.543 nan 8.280 nan 0.000 0.453 463 M N 3.023 122.333 119.600 -0.484 0.000 2.266 463 M HA 0.258 4.738 4.480 0.000 0.000 0.340 463 M C -0.671 175.573 176.300 -0.094 0.000 1.486 463 M CA 0.429 55.699 55.300 -0.050 0.000 1.209 463 M CB -0.325 32.405 32.600 0.217 0.000 1.714 463 M HN 0.701 nan 8.290 nan 0.000 0.459 464 E N 2.107 122.136 120.200 -0.286 0.000 2.369 464 E HA 0.119 4.469 4.350 0.000 0.000 0.255 464 E C -0.379 176.185 176.600 -0.058 0.000 1.172 464 E CA -0.521 55.748 56.400 -0.220 0.000 0.932 464 E CB 0.512 30.014 29.700 -0.331 0.000 1.040 464 E HN 0.532 nan 8.360 nan 0.000 0.454 465 E N 0.719 120.899 120.200 -0.032 0.000 2.437 465 E HA 0.021 4.371 4.350 0.000 0.000 0.263 465 E C -0.457 176.131 176.600 -0.020 0.000 1.030 465 E CA 0.521 56.909 56.400 -0.019 0.000 0.934 465 E CB 0.549 30.235 29.700 -0.022 0.000 0.943 465 E HN 0.418 nan 8.360 nan 0.000 0.444 466 T N -0.227 114.322 114.554 -0.007 0.000 2.906 466 T HA 0.563 4.913 4.350 0.000 0.000 0.295 466 T C -2.693 172.006 174.700 -0.003 0.000 1.075 466 T CA -2.669 59.429 62.100 -0.004 0.000 1.005 466 T CB 1.531 70.404 68.868 0.007 0.000 1.136 466 T HN 0.042 nan 8.240 nan 0.000 0.498 467 P HA 0.221 nan 4.420 nan 0.000 0.260 467 P C 1.222 178.523 177.300 0.000 0.000 1.172 467 P CA 1.688 64.786 63.100 -0.003 0.000 0.760 467 P CB -0.129 31.569 31.700 -0.003 0.000 0.773 468 G N 2.242 111.041 108.800 -0.001 0.000 2.212 468 G HA2 -0.286 3.674 3.960 0.000 0.000 0.266 468 G HA3 -0.286 3.674 3.960 0.000 0.000 0.266 468 G C 0.523 175.425 174.900 0.004 0.000 0.978 468 G CA 0.446 45.546 45.100 0.001 0.000 0.632 468 G HN 0.820 nan 8.290 nan 0.000 0.537 469 S N -0.069 115.634 115.700 0.005 0.000 2.600 469 S HA 0.596 5.066 4.470 0.000 0.000 0.265 469 S C 0.511 175.113 174.600 0.004 0.000 1.325 469 S CA 0.139 58.345 58.200 0.010 0.000 1.002 469 S CB 1.308 64.516 63.200 0.014 0.000 0.921 469 S HN 0.497 nan 8.310 nan 0.000 0.554 470 K N 0.582 120.986 120.400 0.008 0.000 2.219 470 K HA 0.322 4.642 4.320 0.000 0.000 0.258 470 K C 0.013 176.603 176.600 -0.017 0.000 1.008 470 K CA -0.355 55.932 56.287 -0.001 0.000 0.928 470 K CB 0.294 32.799 32.500 0.009 0.000 0.983 470 K HN 0.569 nan 8.250 nan 0.000 0.484 471 I N 2.442 122.993 120.570 -0.031 0.000 2.752 471 I HA -0.081 4.089 4.170 0.000 0.000 0.287 471 I C 0.571 176.640 176.117 -0.080 0.000 1.188 471 I CA 0.336 61.604 61.300 -0.053 0.000 1.427 471 I CB 0.274 38.237 38.000 -0.062 0.000 1.365 471 I HN 0.228 nan 8.210 nan 0.000 0.585 472 K N 8.051 128.387 120.400 -0.107 0.000 2.172 472 K HA 0.261 4.581 4.320 0.000 0.000 0.276 472 K C -1.606 174.794 176.600 -0.333 0.000 1.013 472 K CA -2.018 54.156 56.287 -0.190 0.000 0.913 472 K CB 1.045 33.478 32.500 -0.112 0.000 1.055 472 K HN 0.279 nan 8.250 nan 0.000 0.461 473 P HA -0.191 nan 4.420 nan 0.000 0.215 473 P C 0.591 177.474 177.300 -0.694 0.000 1.153 473 P CA 1.527 64.308 63.100 -0.532 0.000 0.853 473 P CB 0.485 31.794 31.700 -0.653 0.000 0.788 474 Q N -0.470 118.630 119.800 -1.167 0.000 2.124 474 Q HA -0.080 4.261 4.340 0.000 0.000 0.202 474 Q C 2.338 177.780 176.000 -0.929 0.000 0.977 474 Q CA 2.043 57.022 55.803 -1.373 0.000 0.850 474 Q CB -1.509 25.823 28.738 -2.343 0.000 0.901 474 Q HN 0.244 nan 8.270 nan 0.000 0.429 475 T N -0.003 114.178 114.554 -0.623 0.000 2.821 475 T HA -0.090 4.260 4.350 0.000 0.000 0.267 475 T C 1.892 176.466 174.700 -0.211 0.000 1.046 475 T CA 1.143 63.086 62.100 -0.262 0.000 1.139 475 T CB -0.192 68.616 68.868 -0.101 0.000 0.871 475 T HN 0.055 nan 8.240 nan 0.000 0.454 476 V N 1.912 121.696 119.914 -0.217 0.000 2.343 476 V HA -0.135 3.985 4.120 0.000 0.000 0.247 476 V C 2.471 178.516 176.094 -0.081 0.000 1.051 476 V CA 1.163 63.385 62.300 -0.129 0.000 1.036 476 V CB -0.580 31.175 31.823 -0.114 0.000 0.654 476 V HN 0.428 nan 8.190 nan 0.000 0.451 477 I N 0.191 120.708 120.570 -0.089 0.000 2.179 477 I HA -0.215 3.955 4.170 0.000 0.000 0.242 477 I C 2.424 178.508 176.117 -0.056 0.000 1.088 477 I CA 1.702 63.025 61.300 0.038 0.000 1.357 477 I CB -1.284 36.776 38.000 0.099 0.000 1.051 477 I HN 0.371 nan 8.210 nan 0.000 0.409 478 K N 0.899 121.217 120.400 -0.137 0.000 2.063 478 K HA -0.186 4.134 4.320 0.000 0.000 0.208 478 K C 2.146 178.633 176.600 -0.188 0.000 1.048 478 K CA 1.412 57.605 56.287 -0.155 0.000 0.928 478 K CB -0.136 32.296 32.500 -0.114 0.000 0.713 478 K HN 0.314 nan 8.250 nan 0.000 0.442 479 K N 0.564 120.879 120.400 -0.142 0.000 2.025 479 K HA -0.118 4.202 4.320 0.000 0.000 0.207 479 K C 2.101 178.618 176.600 -0.138 0.000 1.049 479 K CA 0.825 57.038 56.287 -0.124 0.000 0.933 479 K CB -0.175 32.275 32.500 -0.083 0.000 0.714 479 K HN -0.006 nan 8.250 nan 0.000 0.438 480 L N 1.171 122.335 121.223 -0.099 0.000 2.046 480 L HA -0.161 4.179 4.340 0.000 0.000 0.208 480 L C 2.348 179.030 176.870 -0.313 0.000 1.077 480 L CA 1.694 56.510 54.840 -0.039 0.000 0.747 480 L CB -0.836 41.328 42.059 0.174 0.000 0.896 480 L HN 0.070 nan 8.230 nan 0.000 0.432 481 S N -0.780 114.484 115.700 -0.727 0.000 2.374 481 S HA -0.293 4.177 4.470 0.000 0.000 0.227 481 S C 2.172 176.268 174.600 -0.840 0.000 1.037 481 S CA 1.860 59.110 58.200 -1.584 0.000 1.024 481 S CB -0.313 61.981 63.200 -1.509 0.000 0.861 481 S HN 0.510 nan 8.310 nan 0.000 0.456 482 K N 0.933 121.040 120.400 -0.489 0.000 2.001 482 K HA 0.032 4.352 4.320 0.000 0.000 0.208 482 K C 1.912 178.386 176.600 -0.210 0.000 1.048 482 K CA 1.927 58.033 56.287 -0.301 0.000 0.932 482 K CB -1.018 31.357 32.500 -0.208 0.000 0.715 482 K HN 0.259 nan 8.250 nan 0.000 0.437 483 V N 1.221 121.040 119.914 -0.159 0.000 2.287 483 V HA -0.277 3.843 4.120 0.000 0.000 0.248 483 V C 2.410 178.467 176.094 -0.062 0.000 1.053 483 V CA 2.119 64.371 62.300 -0.079 0.000 1.027 483 V CB -1.040 30.768 31.823 -0.024 0.000 0.646 483 V HN 0.526 nan 8.190 nan 0.000 0.447 484 A N 0.546 123.324 122.820 -0.069 0.000 1.858 484 A HA -0.302 4.019 4.320 0.000 0.000 0.216 484 A C 2.084 179.655 177.584 -0.021 0.000 1.190 484 A CA 2.363 54.407 52.037 0.011 0.000 0.617 484 A CB -0.942 18.164 19.000 0.176 0.000 0.827 484 A HN 0.655 nan 8.150 nan 0.000 0.443 485 N N 0.062 118.694 118.700 -0.113 0.000 2.149 485 N HA -0.176 4.564 4.740 0.000 0.000 0.188 485 N C 0.969 176.441 175.510 -0.062 0.000 1.019 485 N CA 1.826 54.820 53.050 -0.093 0.000 0.857 485 N CB -0.310 38.067 38.487 -0.184 0.000 0.997 485 N HN 0.368 nan 8.380 nan 0.000 0.426 486 D N -1.083 119.272 120.400 -0.074 0.000 2.309 486 D HA -0.107 4.533 4.640 0.000 0.000 0.212 486 D C 1.763 178.048 176.300 -0.025 0.000 0.968 486 D CA 1.385 55.355 54.000 -0.050 0.000 0.882 486 D CB -0.641 40.126 40.800 -0.055 0.000 0.918 486 D HN 0.583 nan 8.370 nan 0.000 0.503 487 T N -3.148 111.397 114.554 -0.015 0.000 2.962 487 T HA 0.034 4.384 4.350 0.000 0.000 0.270 487 T C 1.878 176.583 174.700 0.008 0.000 1.088 487 T CA 1.348 63.448 62.100 -0.001 0.000 1.127 487 T CB -0.156 68.716 68.868 0.006 0.000 0.883 487 T HN 0.220 nan 8.240 nan 0.000 0.493 488 G N 1.482 110.288 108.800 0.010 0.000 2.179 488 G HA2 -0.270 3.691 3.960 0.000 0.000 0.260 488 G HA3 -0.270 3.691 3.960 0.000 0.000 0.260 488 G C 0.304 175.230 174.900 0.043 0.000 0.977 488 G CA 0.147 45.259 45.100 0.021 0.000 0.641 488 G HN 0.732 nan 8.290 nan 0.000 0.533 489 R N -0.008 120.521 120.500 0.049 0.000 2.583 489 R HA 0.449 4.789 4.340 0.000 0.000 0.268 489 R C 0.354 176.721 176.300 0.111 0.000 1.101 489 R CA -0.665 55.482 56.100 0.078 0.000 1.180 489 R CB 0.435 30.773 30.300 0.063 0.000 1.128 489 R HN 0.377 nan 8.270 nan 0.000 0.568 490 H N 1.152 120.257 119.070 0.057 0.000 2.690 490 H HA 0.163 4.719 4.556 0.000 0.000 0.314 490 H C -1.068 174.316 175.328 0.092 0.000 1.069 490 H CA -0.156 55.937 56.048 0.076 0.000 1.436 490 H CB 0.650 30.452 29.762 0.066 0.000 1.462 490 H HN 0.096 nan 8.280 nan 0.000 0.511 491 V N 8.076 127.812 119.914 -0.298 0.000 2.459 491 V HA 0.308 4.428 4.120 0.000 0.000 0.295 491 V C 0.359 176.352 176.094 -0.168 0.000 1.029 491 V CA -0.665 61.567 62.300 -0.114 0.000 0.874 491 V CB 1.576 33.459 31.823 0.100 0.000 0.985 491 V HN 0.626 nan 8.190 nan 0.000 0.438 492 I N 4.558 125.101 120.570 -0.046 0.000 2.465 492 I HA 0.537 4.707 4.170 0.000 0.000 0.291 492 I C -0.836 175.289 176.117 0.014 0.000 1.014 492 I CA -0.832 60.475 61.300 0.011 0.000 1.093 492 I CB 2.260 40.296 38.000 0.060 0.000 1.267 492 I HN 0.272 nan 8.210 nan 0.000 0.431 493 V N 4.522 124.462 119.914 0.043 0.000 2.448 493 V HA 0.527 4.647 4.120 0.000 0.000 0.295 493 V C 0.213 176.357 176.094 0.084 0.000 1.025 493 V CA -0.423 61.892 62.300 0.024 0.000 0.859 493 V CB 1.929 33.705 31.823 -0.079 0.000 0.988 493 V HN 0.891 nan 8.190 nan 0.000 0.431 494 T N 0.871 115.446 114.554 0.035 0.000 2.940 494 T HA 0.928 5.278 4.350 0.000 0.000 0.288 494 T C -0.206 174.529 174.700 0.058 0.000 1.045 494 T CA -0.236 61.858 62.100 -0.011 0.000 1.018 494 T CB 2.236 71.069 68.868 -0.058 0.000 1.151 494 T HN 0.921 nan 8.240 nan 0.000 0.529 495 T N -2.222 112.374 114.554 0.071 0.000 2.762 495 T HA 0.757 5.107 4.350 0.000 0.000 0.301 495 T C 0.371 175.201 174.700 0.217 0.000 1.299 495 T CA -0.371 61.834 62.100 0.175 0.000 1.005 495 T CB 1.192 70.169 68.868 0.182 0.000 1.377 495 T HN 1.068 nan 8.240 nan 0.000 0.504 496 G N -0.411 108.636 108.800 0.411 0.000 2.641 496 G HA2 0.623 4.584 3.960 0.000 0.000 0.239 496 G HA3 0.623 4.584 3.960 0.000 0.000 0.239 496 G C -1.033 173.990 174.900 0.206 0.000 1.402 496 G CA -0.735 44.570 45.100 0.341 0.000 1.046 496 G HN 0.910 nan 8.290 nan 0.000 0.565 497 V N 0.002 120.003 119.914 0.145 0.000 2.540 497 V HA 0.820 4.941 4.120 0.000 0.000 0.302 497 V C 0.726 176.776 176.094 -0.073 0.000 1.035 497 V CA 0.777 63.042 62.300 -0.057 0.000 0.873 497 V CB 0.584 32.365 31.823 -0.071 0.000 0.992 497 V HN 1.686 nan 8.190 nan 0.000 0.428 498 G N 3.641 112.281 108.800 -0.268 0.000 2.302 498 G HA2 -0.023 3.937 3.960 0.000 0.000 0.264 498 G HA3 -0.023 3.937 3.960 0.000 0.000 0.264 498 G C 0.050 174.700 174.900 -0.417 0.000 1.335 498 G CA -0.005 44.955 45.100 -0.233 0.000 0.982 498 G HN 0.435 nan 8.290 nan 0.000 0.473 499 Q N -0.739 118.834 119.800 -0.380 0.000 2.084 499 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 499 Q C 2.224 177.839 176.000 -0.641 0.000 0.978 499 Q CA 2.438 57.787 55.803 -0.757 0.000 0.844 499 Q CB -0.301 27.889 28.738 -0.913 0.000 0.898 499 Q HN 0.862 nan 8.270 nan 0.000 0.426 500 H N -0.126 118.896 119.070 -0.080 0.000 2.387 500 H HA -0.149 4.407 4.556 0.000 0.000 0.299 500 H C 2.018 177.426 175.328 0.134 0.000 1.099 500 H CA 1.515 57.679 56.048 0.194 0.000 1.315 500 H CB -0.325 29.527 29.762 0.151 0.000 1.380 500 H HN 0.261 nan 8.280 nan 0.000 0.513 501 Q N 0.190 119.568 119.800 -0.703 0.000 2.046 501 Q HA -0.141 4.200 4.340 0.000 0.000 0.200 501 Q C 1.906 177.860 176.000 -0.077 0.000 0.975 501 Q CA 1.661 57.273 55.803 -0.318 0.000 0.836 501 Q CB 0.066 28.546 28.738 -0.430 0.000 0.896 501 Q HN 0.465 nan 8.270 nan 0.000 0.428 502 M N -0.719 118.740 119.600 -0.236 0.000 2.117 502 M HA -0.171 4.309 4.480 0.000 0.000 0.262 502 M C 1.849 178.093 176.300 -0.093 0.000 1.065 502 M CA 1.123 56.297 55.300 -0.210 0.000 1.114 502 M CB -1.110 31.213 32.600 -0.462 0.000 1.361 502 M HN 0.412 nan 8.290 nan 0.000 0.408 503 W N 0.465 121.735 121.300 -0.050 0.000 2.402 503 W HA 0.018 4.678 4.660 0.000 0.000 0.286 503 W C 2.653 179.219 176.519 0.079 0.000 1.221 503 W CA 1.319 58.670 57.345 0.010 0.000 1.257 503 W CB -1.284 28.172 29.460 -0.007 0.000 1.120 503 W HN 0.284 nan 8.180 nan 0.000 0.551 504 A N 0.538 123.554 122.820 0.327 0.000 1.898 504 A HA -0.007 4.313 4.320 0.000 0.000 0.216 504 A C 2.249 180.006 177.584 0.288 0.000 1.181 504 A CA 2.562 54.792 52.037 0.322 0.000 0.620 504 A CB -1.014 18.191 19.000 0.342 0.000 0.819 504 A HN 0.102 nan 8.150 nan 0.000 0.442 505 A N -0.615 122.321 122.820 0.194 0.000 1.877 505 A HA -0.197 4.123 4.320 0.000 0.000 0.216 505 A C 2.156 179.847 177.584 0.179 0.000 1.186 505 A CA 1.677 53.779 52.037 0.109 0.000 0.620 505 A CB -0.552 18.495 19.000 0.078 0.000 0.822 505 A HN 0.654 nan 8.150 nan 0.000 0.443 506 Q N -1.320 118.442 119.800 -0.063 0.000 2.020 506 Q HA -0.110 4.230 4.340 0.000 0.000 0.198 506 Q C 1.791 177.507 176.000 -0.474 0.000 0.974 506 Q CA 1.362 56.862 55.803 -0.505 0.000 0.829 506 Q CB -0.212 27.811 28.738 -1.191 0.000 0.894 506 Q HN 0.779 nan 8.270 nan 0.000 0.433 507 H N -1.716 117.293 119.070 -0.103 0.000 2.548 507 H HA 0.009 4.565 4.556 0.000 0.000 0.265 507 H C 0.255 175.536 175.328 -0.079 0.000 0.969 507 H CA 0.047 56.053 56.048 -0.070 0.000 1.155 507 H CB 0.188 29.883 29.762 -0.112 0.000 1.394 507 H HN 0.282 nan 8.280 nan 0.000 0.570 508 W N 2.308 123.458 121.300 -0.249 0.000 2.237 508 W HA 0.123 4.783 4.660 0.000 0.000 0.335 508 W C -0.539 175.520 176.519 -0.767 0.000 1.230 508 W CA 0.019 56.999 57.345 -0.608 0.000 1.253 508 W CB 1.083 29.903 29.460 -1.067 0.000 1.129 508 W HN -0.235 nan 8.180 nan 0.000 0.590 509 T N 5.420 119.504 114.554 -0.783 0.000 2.832 509 T HA 0.142 4.492 4.350 0.000 0.000 0.313 509 T C -0.775 173.715 174.700 -0.350 0.000 1.035 509 T CA -0.079 61.754 62.100 -0.445 0.000 0.950 509 T CB -0.249 68.414 68.868 -0.342 0.000 0.984 509 T HN 0.217 nan 8.240 nan 0.000 0.486 510 W N 2.978 124.377 121.300 0.165 0.000 2.287 510 W HA 0.405 5.065 4.660 0.000 0.000 0.313 510 W C 1.370 177.934 176.519 0.074 0.000 1.267 510 W CA -0.799 56.634 57.345 0.147 0.000 1.201 510 W CB 0.779 30.278 29.460 0.064 0.000 1.196 510 W HN 0.543 nan 8.180 nan 0.000 0.536 511 R N 1.203 121.877 120.500 0.290 0.000 2.676 511 R HA 0.113 4.453 4.340 0.000 0.000 0.241 511 R C -0.441 175.936 176.300 0.130 0.000 0.964 511 R CA -0.285 55.899 56.100 0.140 0.000 1.054 511 R CB 0.327 30.666 30.300 0.065 0.000 1.603 511 R HN 0.477 nan 8.270 nan 0.000 0.577 512 N N 2.043 120.857 118.700 0.191 0.000 2.314 512 N HA 0.339 5.079 4.740 0.000 0.000 0.304 512 N C -2.946 172.648 175.510 0.139 0.000 1.073 512 N CA -1.796 51.350 53.050 0.160 0.000 0.822 512 N CB 2.167 40.762 38.487 0.180 0.000 1.280 512 N HN -0.249 nan 8.380 nan 0.000 0.489 513 P HA 0.020 nan 4.420 nan 0.000 0.271 513 P C -0.870 176.419 177.300 -0.019 0.000 1.216 513 P CA 0.475 63.516 63.100 -0.097 0.000 0.771 513 P CB 0.266 31.902 31.700 -0.107 0.000 0.864 514 H N 0.280 119.407 119.070 0.095 0.000 2.886 514 H HA -0.108 4.448 4.556 0.000 0.000 0.294 514 H C 0.497 175.896 175.328 0.119 0.000 1.246 514 H CA 1.337 57.436 56.048 0.085 0.000 1.142 514 H CB -2.464 27.345 29.762 0.079 0.000 1.358 514 H HN 0.532 nan 8.280 nan 0.000 0.406 515 T N -3.870 110.786 114.554 0.170 0.000 3.040 515 T HA 0.257 4.607 4.350 0.000 0.000 0.266 515 T C 0.076 174.897 174.700 0.202 0.000 1.005 515 T CA -0.245 61.961 62.100 0.177 0.000 0.906 515 T CB 0.399 69.383 68.868 0.194 0.000 1.082 515 T HN 0.124 nan 8.240 nan 0.000 0.531 516 F N 2.332 122.181 119.950 -0.168 0.000 2.445 516 F HA 0.658 5.185 4.527 0.000 0.000 0.348 516 F C -1.304 174.385 175.800 -0.185 0.000 1.125 516 F CA -2.824 54.967 58.000 -0.349 0.000 0.983 516 F CB 1.043 39.495 39.000 -0.914 0.000 1.198 516 F HN 0.035 nan 8.300 nan 0.000 0.436 517 I N 5.722 126.099 120.570 -0.323 0.000 2.405 517 I HA 0.318 4.488 4.170 0.000 0.000 0.280 517 I C -0.177 175.748 176.117 -0.320 0.000 1.027 517 I CA -0.244 60.910 61.300 -0.244 0.000 1.161 517 I CB 1.547 39.513 38.000 -0.057 0.000 1.300 517 I HN 0.503 nan 8.210 nan 0.000 0.463 518 T N 3.220 117.489 114.554 -0.475 0.000 2.900 518 T HA 0.301 4.651 4.350 0.000 0.000 0.303 518 T C -0.774 173.615 174.700 -0.519 0.000 1.142 518 T CA -0.424 61.397 62.100 -0.465 0.000 1.007 518 T CB 1.999 70.346 68.868 -0.869 0.000 1.156 518 T HN 0.400 nan 8.240 nan 0.000 0.490 519 S N 1.808 117.104 115.700 -0.674 0.000 2.400 519 S HA 0.509 4.979 4.470 0.000 0.000 0.295 519 S C 1.135 175.502 174.600 -0.389 0.000 1.113 519 S CA 0.098 57.865 58.200 -0.723 0.000 1.064 519 S CB -0.022 62.661 63.200 -0.862 0.000 0.990 519 S HN 0.869 nan 8.310 nan 0.000 0.502 520 G N 3.869 112.488 108.800 -0.301 0.000 2.662 520 G HA2 0.202 4.162 3.960 0.000 0.000 0.207 520 G HA3 0.202 4.162 3.960 0.000 0.000 0.207 520 G C 1.233 176.043 174.900 -0.150 0.000 1.154 520 G CA 0.410 45.392 45.100 -0.196 0.000 0.837 520 G HN 0.781 nan 8.290 nan 0.000 0.580 521 G N 0.839 109.555 108.800 -0.139 0.000 2.404 521 G HA2 -0.053 3.907 3.960 0.000 0.000 0.215 521 G HA3 -0.053 3.907 3.960 0.000 0.000 0.215 521 G C 1.671 176.517 174.900 -0.091 0.000 1.174 521 G CA 1.091 46.132 45.100 -0.098 0.000 0.780 521 G HN 0.341 nan 8.290 nan 0.000 0.537 522 L N 0.509 121.670 121.223 -0.104 0.000 2.307 522 L HA 0.389 4.729 4.340 0.000 0.000 0.211 522 L C 1.695 178.496 176.870 -0.115 0.000 1.099 522 L CA 1.404 56.192 54.840 -0.086 0.000 0.816 522 L CB -0.249 41.773 42.059 -0.061 0.000 0.952 522 L HN 0.432 nan 8.230 nan 0.000 0.455 523 G N 0.972 109.675 108.800 -0.162 0.000 2.370 523 G HA2 -0.263 3.698 3.960 0.000 0.000 0.295 523 G HA3 -0.263 3.698 3.960 0.000 0.000 0.295 523 G C 0.138 174.950 174.900 -0.146 0.000 1.045 523 G CA 0.499 45.498 45.100 -0.169 0.000 1.199 523 G HN 0.340 nan 8.290 nan 0.000 0.513 524 T N 2.403 116.851 114.554 -0.177 0.000 2.739 524 T HA 0.473 4.823 4.350 0.000 0.000 0.298 524 T C 1.228 175.869 174.700 -0.097 0.000 0.929 524 T CA -0.123 61.905 62.100 -0.120 0.000 1.014 524 T CB 0.535 69.342 68.868 -0.102 0.000 0.914 524 T HN 0.431 nan 8.240 nan 0.000 0.509 525 M N 2.486 122.055 119.600 -0.052 0.000 2.248 525 M HA 0.337 4.817 4.480 0.000 0.000 0.345 525 M C 1.512 177.798 176.300 -0.023 0.000 1.243 525 M CA 0.879 56.171 55.300 -0.013 0.000 1.090 525 M CB 0.334 32.934 32.600 -0.000 0.000 1.683 525 M HN 0.971 nan 8.290 nan 0.000 0.450 526 G N 1.385 110.180 108.800 -0.008 0.000 2.195 526 G HA2 -0.307 3.654 3.960 0.000 0.000 0.224 526 G HA3 -0.307 3.654 3.960 0.000 0.000 0.224 526 G C 0.409 175.252 174.900 -0.095 0.000 0.990 526 G CA 0.246 45.319 45.100 -0.045 0.000 0.639 526 G HN 0.789 nan 8.290 nan 0.000 0.514 527 Y N 1.830 121.946 120.300 -0.306 0.000 2.224 527 Y HA 0.128 4.678 4.550 0.000 0.000 0.289 527 Y C 2.618 178.401 175.900 -0.196 0.000 1.146 527 Y CA 2.671 60.509 58.100 -0.436 0.000 1.182 527 Y CB -0.578 37.647 38.460 -0.392 0.000 0.983 527 Y HN 0.277 nan 8.280 nan 0.000 0.524 528 G N 0.870 109.658 108.800 -0.020 0.000 2.631 528 G HA2 -0.378 3.582 3.960 0.000 0.000 0.219 528 G HA3 -0.378 3.582 3.960 0.000 0.000 0.219 528 G C 1.607 176.464 174.900 -0.071 0.000 1.214 528 G CA 1.513 46.597 45.100 -0.026 0.000 0.785 528 G HN 0.461 nan 8.290 nan 0.000 0.596 529 L N 2.550 123.770 121.223 -0.005 0.000 1.976 529 L HA 0.034 4.375 4.340 0.000 0.000 0.209 529 L C 0.427 177.270 176.870 -0.045 0.000 1.071 529 L CA 2.458 57.313 54.840 0.026 0.000 0.746 529 L CB -1.176 40.924 42.059 0.069 0.000 0.890 529 L HN 0.196 nan 8.230 nan 0.000 0.432 530 P HA -0.173 nan 4.420 nan 0.000 0.217 530 P C 1.433 178.626 177.300 -0.179 0.000 1.150 530 P CA 2.148 65.198 63.100 -0.083 0.000 0.832 530 P CB -0.203 31.483 31.700 -0.024 0.000 0.787 531 A N 0.653 123.250 122.820 -0.371 0.000 1.933 531 A HA -0.065 4.255 4.320 0.000 0.000 0.218 531 A C 2.524 179.970 177.584 -0.231 0.000 1.175 531 A CA 2.200 53.946 52.037 -0.485 0.000 0.628 531 A CB -1.527 16.841 19.000 -1.053 0.000 0.814 531 A HN 0.243 nan 8.150 nan 0.000 0.444 532 A N -0.103 122.626 122.820 -0.152 0.000 1.930 532 A HA -0.049 4.271 4.320 0.000 0.000 0.217 532 A C 2.106 179.691 177.584 0.002 0.000 1.175 532 A CA 1.440 53.447 52.037 -0.049 0.000 0.627 532 A CB -0.565 18.429 19.000 -0.010 0.000 0.815 532 A HN 0.499 nan 8.150 nan 0.000 0.443 533 I N -0.357 120.219 120.570 0.009 0.000 2.179 533 I HA -0.202 3.968 4.170 0.000 0.000 0.242 533 I C 2.708 178.897 176.117 0.120 0.000 1.088 533 I CA 1.196 62.538 61.300 0.069 0.000 1.357 533 I CB -0.628 37.418 38.000 0.076 0.000 1.051 533 I HN 0.397 nan 8.210 nan 0.000 0.409 534 G N 0.389 109.226 108.800 0.061 0.000 2.418 534 G HA2 -0.215 3.745 3.960 0.000 0.000 0.217 534 G HA3 -0.215 3.745 3.960 0.000 0.000 0.217 534 G C 1.861 176.884 174.900 0.205 0.000 1.158 534 G CA 0.784 45.960 45.100 0.127 0.000 0.771 534 G HN 0.487 nan 8.290 nan 0.000 0.545 535 A N 0.230 123.095 122.820 0.075 0.000 1.933 535 A HA -0.086 4.235 4.320 0.000 0.000 0.218 535 A C 2.295 179.935 177.584 0.093 0.000 1.175 535 A CA 2.211 54.283 52.037 0.059 0.000 0.628 535 A CB -0.403 18.608 19.000 0.018 0.000 0.814 535 A HN 0.424 nan 8.150 nan 0.000 0.444 536 Q N -0.278 119.584 119.800 0.104 0.000 2.167 536 Q HA -0.068 4.272 4.340 0.000 0.000 0.202 536 Q C 1.786 177.868 176.000 0.137 0.000 0.970 536 Q CA 1.825 57.691 55.803 0.105 0.000 0.855 536 Q CB -0.419 28.372 28.738 0.088 0.000 0.911 536 Q HN 0.341 nan 8.270 nan 0.000 0.438 537 V N 0.482 120.520 119.914 0.206 0.000 2.358 537 V HA -0.230 3.890 4.120 0.000 0.000 0.246 537 V C 2.221 178.481 176.094 0.277 0.000 1.047 537 V CA 1.672 64.121 62.300 0.249 0.000 1.035 537 V CB -1.097 30.932 31.823 0.344 0.000 0.658 537 V HN 0.517 nan 8.190 nan 0.000 0.452 538 A N -0.859 122.128 122.820 0.279 0.000 1.898 538 A HA -0.098 4.222 4.320 0.000 0.000 0.216 538 A C 1.415 179.010 177.584 0.019 0.000 1.181 538 A CA 1.299 53.365 52.037 0.050 0.000 0.620 538 A CB -0.073 18.755 19.000 -0.287 0.000 0.819 538 A HN 0.400 nan 8.150 nan 0.000 0.442 539 K N -0.591 119.836 120.400 0.045 0.000 2.562 539 K HA 0.305 4.625 4.320 0.000 0.000 0.206 539 K C -2.534 174.107 176.600 0.068 0.000 1.033 539 K CA -1.861 54.450 56.287 0.041 0.000 1.029 539 K CB 1.162 33.696 32.500 0.057 0.000 1.393 539 K HN 0.095 nan 8.250 nan 0.000 0.539 540 P HA -0.139 nan 4.420 nan 0.000 0.219 540 P C 0.441 177.774 177.300 0.055 0.000 1.146 540 P CA 1.206 64.344 63.100 0.063 0.000 0.808 540 P CB 0.489 32.223 31.700 0.056 0.000 0.779 541 E N -1.423 118.808 120.200 0.051 0.000 2.474 541 E HA 0.088 4.438 4.350 0.000 0.000 0.194 541 E C 0.412 177.060 176.600 0.080 0.000 1.041 541 E CA 0.163 56.594 56.400 0.053 0.000 0.874 541 E CB -0.234 29.489 29.700 0.038 0.000 0.914 541 E HN 0.125 nan 8.360 nan 0.000 0.498 542 S N 0.708 116.476 115.700 0.112 0.000 2.592 542 S HA 0.251 4.721 4.470 0.000 0.000 0.271 542 S C -0.257 174.401 174.600 0.097 0.000 1.326 542 S CA -0.691 57.610 58.200 0.169 0.000 1.024 542 S CB 0.714 64.085 63.200 0.284 0.000 0.921 542 S HN 0.163 nan 8.310 nan 0.000 0.527 543 L N 4.007 125.276 121.223 0.076 0.000 2.283 543 L HA 0.446 4.786 4.340 0.000 0.000 0.287 543 L C -0.995 175.891 176.870 0.026 0.000 1.073 543 L CA 0.005 54.862 54.840 0.028 0.000 0.822 543 L CB 0.149 42.220 42.059 0.020 0.000 1.186 543 L HN 0.362 nan 8.230 nan 0.000 0.436 544 V N 7.362 127.285 119.914 0.014 0.000 2.347 544 V HA 0.440 4.560 4.120 0.000 0.000 0.280 544 V C 0.246 176.340 176.094 -0.001 0.000 1.021 544 V CA -0.349 61.962 62.300 0.018 0.000 0.847 544 V CB 1.133 32.976 31.823 0.034 0.000 0.990 544 V HN 0.615 nan 8.190 nan 0.000 0.444 545 I N 3.888 124.465 120.570 0.011 0.000 2.406 545 I HA 0.389 4.559 4.170 0.000 0.000 0.290 545 I C -0.656 175.496 176.117 0.058 0.000 0.999 545 I CA -0.462 60.862 61.300 0.040 0.000 1.124 545 I CB 2.006 40.053 38.000 0.078 0.000 1.289 545 I HN 0.540 nan 8.210 nan 0.000 0.441 546 D N 7.955 128.409 120.400 0.091 0.000 2.412 546 D HA 0.329 4.969 4.640 0.000 0.000 0.224 546 D C -0.447 175.910 176.300 0.095 0.000 1.093 546 D CA -0.214 53.834 54.000 0.080 0.000 0.850 546 D CB 0.762 41.605 40.800 0.071 0.000 1.046 546 D HN 0.330 nan 8.370 nan 0.000 0.507 547 I N 3.950 124.590 120.570 0.118 0.000 2.269 547 I HA 0.174 4.344 4.170 0.000 0.000 0.293 547 I C 0.401 176.602 176.117 0.140 0.000 1.106 547 I CA -0.329 61.055 61.300 0.140 0.000 1.248 547 I CB 0.443 38.570 38.000 0.211 0.000 1.444 547 I HN 0.300 nan 8.210 nan 0.000 0.497 548 D N 4.119 124.469 120.400 -0.084 0.000 2.384 548 D HA 0.567 5.208 4.640 0.000 0.000 0.250 548 D C -0.025 175.778 176.300 -0.828 0.000 1.029 548 D CA -0.167 53.625 54.000 -0.348 0.000 0.990 548 D CB 2.422 43.116 40.800 -0.177 0.000 1.175 548 D HN 0.491 nan 8.370 nan 0.000 0.532 549 G N -0.414 107.735 108.800 -1.084 0.000 2.441 549 G HA2 0.255 4.215 3.960 0.000 0.000 0.334 549 G HA3 0.255 4.215 3.960 0.000 0.000 0.334 549 G C 0.741 175.493 174.900 -0.247 0.000 1.161 549 G CA -0.461 44.230 45.100 -0.681 0.000 0.935 549 G HN 0.489 nan 8.290 nan 0.000 0.488 550 D N 0.399 120.736 120.400 -0.105 0.000 2.117 550 D HA -0.132 4.508 4.640 0.000 0.000 0.198 550 D C 2.251 178.642 176.300 0.152 0.000 0.982 550 D CA 1.232 55.248 54.000 0.027 0.000 0.828 550 D CB -0.414 40.499 40.800 0.189 0.000 0.967 550 D HN 0.362 nan 8.370 nan 0.000 0.464 551 A N 0.879 123.761 122.820 0.103 0.000 1.897 551 A HA -0.078 4.242 4.320 0.000 0.000 0.215 551 A C 2.507 180.140 177.584 0.081 0.000 1.181 551 A CA 1.642 53.738 52.037 0.098 0.000 0.620 551 A CB -0.578 18.459 19.000 0.060 0.000 0.821 551 A HN 0.246 nan 8.150 nan 0.000 0.443 552 S N -1.035 114.707 115.700 0.070 0.000 2.356 552 S HA -0.132 4.338 4.470 0.000 0.000 0.223 552 S C 1.661 176.301 174.600 0.068 0.000 1.032 552 S CA 1.466 59.705 58.200 0.065 0.000 1.005 552 S CB -0.502 62.756 63.200 0.097 0.000 0.867 552 S HN 0.596 nan 8.310 nan 0.000 0.449 553 F N 2.816 122.715 119.950 -0.085 0.000 2.161 553 F HA -0.136 4.391 4.527 0.000 0.000 0.300 553 F C 1.758 177.553 175.800 -0.008 0.000 1.089 553 F CA 1.305 59.251 58.000 -0.091 0.000 1.282 553 F CB -0.750 38.117 39.000 -0.221 0.000 1.010 553 F HN 0.168 nan 8.300 nan 0.000 0.485 554 N N -0.522 118.216 118.700 0.065 0.000 2.223 554 N HA -0.208 4.532 4.740 0.000 0.000 0.185 554 N C 1.920 177.379 175.510 -0.085 0.000 1.016 554 N CA 1.532 54.592 53.050 0.016 0.000 0.863 554 N CB -0.146 38.413 38.487 0.120 0.000 0.983 554 N HN 0.234 nan 8.380 nan 0.000 0.429 555 M N -0.262 119.293 119.600 -0.074 0.000 2.106 555 M HA -0.107 4.373 4.480 0.000 0.000 0.259 555 M C 1.211 177.425 176.300 -0.143 0.000 1.068 555 M CA 1.507 56.755 55.300 -0.087 0.000 1.100 555 M CB -0.892 31.673 32.600 -0.058 0.000 1.351 555 M HN 0.313 nan 8.290 nan 0.000 0.404 556 T N -2.551 111.884 114.554 -0.198 0.000 3.288 556 T HA 0.345 4.695 4.350 0.000 0.000 0.293 556 T C 1.012 175.531 174.700 -0.302 0.000 1.008 556 T CA -0.403 61.572 62.100 -0.207 0.000 0.929 556 T CB -0.534 68.255 68.868 -0.132 0.000 1.152 556 T HN 0.216 nan 8.240 nan 0.000 0.517 557 L N -0.662 120.283 121.223 -0.464 0.000 2.349 557 L HA 0.137 4.477 4.340 0.000 0.000 0.220 557 L C 2.183 178.905 176.870 -0.247 0.000 1.130 557 L CA 1.559 56.025 54.840 -0.622 0.000 0.791 557 L CB -1.991 39.656 42.059 -0.687 0.000 0.918 557 L HN 0.260 nan 8.230 nan 0.000 0.444 558 T N -0.600 113.868 114.554 -0.142 0.000 2.977 558 T HA -0.104 4.246 4.350 0.000 0.000 0.271 558 T C 1.564 176.258 174.700 -0.011 0.000 1.105 558 T CA 1.064 63.137 62.100 -0.045 0.000 1.116 558 T CB -0.374 68.486 68.868 -0.014 0.000 0.878 558 T HN 0.476 nan 8.240 nan 0.000 0.509 559 E N 0.926 121.106 120.200 -0.034 0.000 2.516 559 E HA 0.094 4.444 4.350 0.000 0.000 0.199 559 E C 1.998 178.623 176.600 0.043 0.000 1.069 559 E CA 0.065 56.475 56.400 0.016 0.000 0.876 559 E CB -0.232 29.472 29.700 0.006 0.000 0.843 559 E HN 0.543 nan 8.360 nan 0.000 0.530 560 L N 1.002 122.250 121.223 0.041 0.000 2.046 560 L HA -0.208 4.133 4.340 0.000 0.000 0.208 560 L C 2.457 179.382 176.870 0.092 0.000 1.077 560 L CA 1.649 56.545 54.840 0.094 0.000 0.747 560 L CB -0.528 41.609 42.059 0.131 0.000 0.896 560 L HN 0.157 nan 8.230 nan 0.000 0.432 561 S N -1.764 113.984 115.700 0.081 0.000 2.423 561 S HA -0.125 4.345 4.470 0.000 0.000 0.231 561 S C 2.016 176.669 174.600 0.088 0.000 1.014 561 S CA 1.169 59.419 58.200 0.082 0.000 0.965 561 S CB -0.286 62.961 63.200 0.078 0.000 0.785 561 S HN 0.312 nan 8.310 nan 0.000 0.495 562 S N 2.350 118.106 115.700 0.093 0.000 2.383 562 S HA 0.141 4.611 4.470 0.000 0.000 0.227 562 S C 2.307 176.968 174.600 0.101 0.000 1.026 562 S CA 0.904 59.168 58.200 0.106 0.000 0.981 562 S CB -0.707 62.561 63.200 0.113 0.000 0.818 562 S HN 0.774 nan 8.310 nan 0.000 0.472 563 A N 1.199 124.076 122.820 0.094 0.000 1.902 563 A HA -0.028 4.292 4.320 0.000 0.000 0.217 563 A C 2.320 179.954 177.584 0.084 0.000 1.181 563 A CA 1.393 53.484 52.037 0.091 0.000 0.623 563 A CB -0.816 18.239 19.000 0.092 0.000 0.818 563 A HN 0.343 nan 8.150 nan 0.000 0.443 564 V N -0.108 119.854 119.914 0.082 0.000 2.307 564 V HA -0.300 3.820 4.120 0.000 0.000 0.245 564 V C 2.722 178.858 176.094 0.070 0.000 1.045 564 V CA 2.269 64.612 62.300 0.073 0.000 1.024 564 V CB -0.826 31.040 31.823 0.071 0.000 0.651 564 V HN 0.784 nan 8.190 nan 0.000 0.449 565 Q N 0.057 119.903 119.800 0.077 0.000 2.124 565 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 565 Q C 2.039 178.086 176.000 0.078 0.000 0.977 565 Q CA 1.861 57.711 55.803 0.077 0.000 0.850 565 Q CB -0.248 28.543 28.738 0.088 0.000 0.901 565 Q HN 0.638 nan 8.270 nan 0.000 0.429 566 A N -0.362 122.508 122.820 0.084 0.000 2.169 566 A HA 0.237 4.557 4.320 0.000 0.000 0.212 566 A C 1.481 179.108 177.584 0.071 0.000 1.153 566 A CA 0.829 52.914 52.037 0.081 0.000 0.756 566 A CB -0.455 18.603 19.000 0.096 0.000 0.813 566 A HN 0.641 nan 8.150 nan 0.000 0.471 567 G N -0.055 108.785 108.800 0.067 0.000 2.176 567 G HA2 -0.216 3.744 3.960 0.000 0.000 0.252 567 G HA3 -0.216 3.744 3.960 0.000 0.000 0.252 567 G C 0.283 175.219 174.900 0.060 0.000 1.024 567 G CA 0.594 45.728 45.100 0.058 0.000 0.755 567 G HN 1.414 nan 8.290 nan 0.000 0.507 568 T N -0.619 113.977 114.554 0.069 0.000 2.762 568 T HA 0.618 4.968 4.350 0.000 0.000 0.303 568 T C -1.560 173.174 174.700 0.057 0.000 0.977 568 T CA -1.631 60.511 62.100 0.069 0.000 0.961 568 T CB 2.312 71.232 68.868 0.086 0.000 0.944 568 T HN 0.146 nan 8.240 nan 0.000 0.481 569 P HA 0.120 nan 4.420 nan 0.000 0.238 569 P C 0.643 177.948 177.300 0.009 0.000 1.714 569 P CA -0.331 62.785 63.100 0.026 0.000 0.908 569 P CB -0.669 31.040 31.700 0.016 0.000 1.893 570 V N -1.306 118.624 119.914 0.027 0.000 2.843 570 V HA 0.241 4.361 4.120 0.000 0.000 0.305 570 V C 0.370 176.461 176.094 -0.005 0.000 1.065 570 V CA -0.215 62.096 62.300 0.018 0.000 1.116 570 V CB 0.262 32.115 31.823 0.050 0.000 0.968 570 V HN 0.003 nan 8.190 nan 0.000 0.487 571 K N 5.037 125.406 120.400 -0.052 0.000 2.334 571 K HA 0.538 4.858 4.320 0.000 0.000 0.265 571 K C -0.785 175.939 176.600 0.205 0.000 1.039 571 K CA -0.598 55.613 56.287 -0.127 0.000 0.920 571 K CB 1.193 33.284 32.500 -0.682 0.000 1.160 571 K HN 0.610 nan 8.250 nan 0.000 0.451 572 I N 4.172 124.922 120.570 0.301 0.000 2.312 572 I HA 0.217 4.387 4.170 0.000 0.000 0.291 572 I C 0.062 176.242 176.117 0.106 0.000 1.031 572 I CA -1.035 60.366 61.300 0.169 0.000 1.293 572 I CB 0.383 38.398 38.000 0.025 0.000 1.403 572 I HN 0.355 nan 8.210 nan 0.000 0.484 573 L N 8.671 129.911 121.223 0.028 0.000 2.287 573 L HA 0.565 4.906 4.340 0.000 0.000 0.287 573 L C -0.533 176.161 176.870 -0.293 0.000 1.022 573 L CA -0.013 54.708 54.840 -0.198 0.000 0.814 573 L CB 0.963 42.987 42.059 -0.058 0.000 1.217 573 L HN 0.370 nan 8.230 nan 0.000 0.420 574 I N 6.603 126.925 120.570 -0.414 0.000 2.354 574 I HA 0.253 4.423 4.170 0.000 0.000 0.286 574 I C -0.540 175.398 176.117 -0.298 0.000 1.007 574 I CA -0.478 60.539 61.300 -0.472 0.000 1.167 574 I CB 1.319 38.847 38.000 -0.786 0.000 1.320 574 I HN 0.460 nan 8.210 nan 0.000 0.458 575 L N 6.130 127.228 121.223 -0.207 0.000 2.375 575 L HA 0.205 4.545 4.340 0.000 0.000 0.276 575 L C 0.262 177.097 176.870 -0.057 0.000 1.162 575 L CA -0.245 54.543 54.840 -0.086 0.000 0.991 575 L CB -0.338 41.740 42.059 0.031 0.000 1.315 575 L HN 0.543 nan 8.230 nan 0.000 0.431 576 N N 2.734 121.405 118.700 -0.048 0.000 2.402 576 N HA 0.016 4.756 4.740 0.000 0.000 0.252 576 N C 0.506 176.060 175.510 0.074 0.000 1.118 576 N CA -0.210 52.861 53.050 0.036 0.000 0.945 576 N CB 0.531 39.086 38.487 0.112 0.000 1.147 576 N HN 0.440 nan 8.380 nan 0.000 0.495 577 N N 2.132 120.888 118.700 0.094 0.000 2.204 577 N HA 0.047 4.787 4.740 0.000 0.000 0.219 577 N C -0.728 174.853 175.510 0.119 0.000 1.151 577 N CA -0.222 52.892 53.050 0.106 0.000 0.867 577 N CB -0.271 38.293 38.487 0.128 0.000 1.043 577 N HN 0.529 nan 8.380 nan 0.000 0.516 578 E N 0.255 120.534 120.200 0.132 0.000 2.269 578 E HA -0.279 4.071 4.350 0.000 0.000 0.223 578 E C -0.845 175.846 176.600 0.152 0.000 1.244 578 E CA 1.076 57.566 56.400 0.151 0.000 0.713 578 E CB -1.533 28.256 29.700 0.148 0.000 1.178 578 E HN 0.884 nan 8.360 nan 0.000 0.370 579 E N -1.155 119.091 120.200 0.076 0.000 2.422 579 E HA 0.273 4.623 4.350 0.000 0.000 0.280 579 E C -0.788 175.772 176.600 -0.068 0.000 1.091 579 E CA -0.958 55.401 56.400 -0.069 0.000 0.849 579 E CB 0.875 30.497 29.700 -0.132 0.000 1.353 579 E HN 0.043 nan 8.360 nan 0.000 0.449 580 Q N 0.822 120.528 119.800 -0.157 0.000 2.963 580 Q HA 0.218 4.558 4.340 0.000 0.000 0.262 580 Q C 0.947 176.907 176.000 -0.067 0.000 1.318 580 Q CA 0.361 56.120 55.803 -0.073 0.000 1.089 580 Q CB 0.036 28.727 28.738 -0.078 0.000 1.424 580 Q HN 0.806 nan 8.270 nan 0.000 0.560 581 G N 2.500 111.287 108.800 -0.022 0.000 2.556 581 G HA2 -0.377 3.583 3.960 0.000 0.000 0.220 581 G HA3 -0.377 3.583 3.960 0.000 0.000 0.220 581 G C 1.174 176.083 174.900 0.016 0.000 1.156 581 G CA 1.113 46.215 45.100 0.002 0.000 0.766 581 G HN 0.635 nan 8.290 nan 0.000 0.583 582 M N 0.174 119.773 119.600 -0.001 0.000 2.080 582 M HA -0.112 4.368 4.480 0.000 0.000 0.260 582 M C 2.510 178.891 176.300 0.136 0.000 1.068 582 M CA 1.800 57.119 55.300 0.032 0.000 1.109 582 M CB -0.106 32.468 32.600 -0.044 0.000 1.342 582 M HN 0.123 nan 8.290 nan 0.000 0.405 583 V N 0.308 120.260 119.914 0.064 0.000 2.379 583 V HA -0.209 3.912 4.120 0.000 0.000 0.245 583 V C 2.592 178.810 176.094 0.206 0.000 1.044 583 V CA 2.117 64.480 62.300 0.105 0.000 1.036 583 V CB -1.644 30.191 31.823 0.020 0.000 0.664 583 V HN 0.730 nan 8.190 nan 0.000 0.453 584 T N -1.462 113.165 114.554 0.122 0.000 2.881 584 T HA -0.305 4.045 4.350 0.000 0.000 0.270 584 T C 1.820 176.700 174.700 0.301 0.000 1.068 584 T CA 1.793 64.007 62.100 0.190 0.000 1.131 584 T CB -0.322 68.455 68.868 -0.151 0.000 0.871 584 T HN 0.540 nan 8.240 nan 0.000 0.479 585 Q N -0.573 119.374 119.800 0.245 0.000 2.046 585 Q HA -0.099 4.241 4.340 0.000 0.000 0.200 585 Q C 1.914 178.053 176.000 0.231 0.000 0.975 585 Q CA 1.504 57.438 55.803 0.220 0.000 0.836 585 Q CB -0.287 28.571 28.738 0.201 0.000 0.896 585 Q HN 0.695 nan 8.270 nan 0.000 0.428 586 W N 1.051 122.461 121.300 0.184 0.000 2.402 586 W HA -0.081 4.580 4.660 0.000 0.000 0.286 586 W C 2.241 178.981 176.519 0.369 0.000 1.221 586 W CA 1.025 58.561 57.345 0.318 0.000 1.257 586 W CB -0.125 29.538 29.460 0.338 0.000 1.120 586 W HN 0.320 nan 8.180 nan 0.000 0.551 587 Q N -0.694 119.400 119.800 0.491 0.000 2.123 587 Q HA -0.130 4.210 4.340 0.000 0.000 0.199 587 Q C 2.230 178.294 176.000 0.107 0.000 0.966 587 Q CA 1.747 57.783 55.803 0.388 0.000 0.845 587 Q CB -0.353 28.557 28.738 0.287 0.000 0.907 587 Q HN 0.129 nan 8.270 nan 0.000 0.439 588 S N 0.880 116.613 115.700 0.055 0.000 2.368 588 S HA -0.123 4.347 4.470 0.000 0.000 0.224 588 S C 1.769 176.062 174.600 -0.511 0.000 1.029 588 S CA 0.845 58.834 58.200 -0.352 0.000 0.988 588 S CB -0.152 63.010 63.200 -0.063 0.000 0.838 588 S HN 0.227 nan 8.310 nan 0.000 0.462 589 L N 0.309 121.316 121.223 -0.361 0.000 2.068 589 L HA 0.229 4.569 4.340 0.000 0.000 0.204 589 L C 1.303 177.726 176.870 -0.745 0.000 1.076 589 L CA 1.811 56.271 54.840 -0.634 0.000 0.753 589 L CB -0.419 41.068 42.059 -0.953 0.000 0.910 589 L HN 0.273 nan 8.230 nan 0.000 0.439 590 F N -3.035 116.771 119.950 -0.240 0.000 2.720 590 F HA 0.181 4.708 4.527 0.000 0.000 0.301 590 F C 0.368 175.761 175.800 -0.679 0.000 1.103 590 F CA -0.130 57.611 58.000 -0.432 0.000 1.291 590 F CB 0.169 38.873 39.000 -0.493 0.000 1.086 590 F HN -0.075 nan 8.300 nan 0.000 0.592 591 Y N 0.165 120.500 120.300 0.058 0.000 2.672 591 Y HA 0.242 4.792 4.550 0.000 0.000 0.272 591 Y C 0.052 175.910 175.900 -0.070 0.000 1.055 591 Y CA -1.296 56.814 58.100 0.016 0.000 1.151 591 Y CB -0.718 37.765 38.460 0.039 0.000 1.190 591 Y HN 0.054 nan 8.280 nan 0.000 0.574 592 E N 0.054 120.233 120.200 -0.035 0.000 2.238 592 E HA -0.335 4.015 4.350 0.000 0.000 0.219 592 E C -0.642 175.998 176.600 0.066 0.000 1.275 592 E CA 1.096 57.508 56.400 0.019 0.000 0.714 592 E CB -1.702 28.035 29.700 0.062 0.000 1.154 592 E HN 0.833 nan 8.360 nan 0.000 0.363 593 H N -2.805 116.176 119.070 -0.148 0.000 2.899 593 H HA -0.180 4.376 4.556 0.000 0.000 0.282 593 H C -0.099 174.789 175.328 -0.732 0.000 1.198 593 H CA 1.369 57.159 56.048 -0.429 0.000 1.140 593 H CB -1.289 28.362 29.762 -0.185 0.000 1.317 593 H HN 0.307 nan 8.280 nan 0.000 0.375 594 R N 1.007 121.281 120.500 -0.377 0.000 2.235 594 R HA 0.222 4.562 4.340 0.000 0.000 0.338 594 R C -0.689 175.436 176.300 -0.291 0.000 1.087 594 R CA -0.370 55.575 56.100 -0.258 0.000 0.948 594 R CB 0.363 30.633 30.300 -0.051 0.000 1.099 594 R HN 0.309 nan 8.270 nan 0.000 0.483 595 Y N 1.152 121.522 120.300 0.117 0.000 2.627 595 Y HA 0.052 4.602 4.550 0.000 0.000 0.347 595 Y C 0.883 176.803 175.900 0.033 0.000 1.099 595 Y CA -0.390 57.767 58.100 0.096 0.000 1.408 595 Y CB 0.812 39.381 38.460 0.182 0.000 1.247 595 Y HN 0.405 nan 8.280 nan 0.000 0.506 596 S N 4.576 120.313 115.700 0.061 0.000 2.400 596 S HA 0.099 4.569 4.470 0.000 0.000 0.295 596 S C 0.166 174.751 174.600 -0.026 0.000 1.113 596 S CA -0.403 57.738 58.200 -0.097 0.000 1.064 596 S CB -0.393 62.760 63.200 -0.078 0.000 0.990 596 S HN 0.796 nan 8.310 nan 0.000 0.502 597 H N 1.979 121.126 119.070 0.128 0.000 2.741 597 H HA -0.126 4.430 4.556 0.000 0.000 0.305 597 H C 0.894 176.261 175.328 0.065 0.000 1.169 597 H CA 1.312 57.421 56.048 0.101 0.000 1.144 597 H CB -2.426 27.369 29.762 0.055 0.000 1.397 597 H HN 0.720 nan 8.280 nan 0.000 0.409 598 T N -3.151 111.471 114.554 0.112 0.000 3.176 598 T HA 0.270 4.620 4.350 0.000 0.000 0.263 598 T C 0.201 174.696 174.700 -0.342 0.000 1.021 598 T CA -0.290 61.758 62.100 -0.088 0.000 0.905 598 T CB 0.137 68.920 68.868 -0.141 0.000 1.057 598 T HN 0.416 nan 8.240 nan 0.000 0.558 599 H N 2.483 121.587 119.070 0.057 0.000 2.860 599 H HA 0.450 5.006 4.556 0.000 0.000 0.312 599 H C -0.265 175.114 175.328 0.086 0.000 0.995 599 H CA -0.898 55.183 56.048 0.055 0.000 1.311 599 H CB 1.041 30.847 29.762 0.073 0.000 1.478 599 H HN 0.197 nan 8.280 nan 0.000 0.508 600 Q N 2.966 122.854 119.800 0.147 0.000 2.235 600 Q HA 0.255 4.595 4.340 0.000 0.000 0.256 600 Q C -0.875 175.191 176.000 0.110 0.000 0.951 600 Q CA -1.261 54.614 55.803 0.119 0.000 0.890 600 Q CB 2.321 31.113 28.738 0.089 0.000 1.279 600 Q HN 0.544 nan 8.270 nan 0.000 0.444 601 L N 2.877 124.148 121.223 0.080 0.000 2.325 601 L HA 0.300 4.640 4.340 0.000 0.000 0.284 601 L C -0.732 176.146 176.870 0.013 0.000 1.089 601 L CA 0.339 55.207 54.840 0.046 0.000 0.836 601 L CB -0.180 41.899 42.059 0.033 0.000 1.184 601 L HN 0.671 nan 8.230 nan 0.000 0.444 602 N N 6.204 124.888 118.700 -0.025 0.000 2.515 602 N HA 0.457 5.197 4.740 0.000 0.000 0.279 602 N C -2.250 173.097 175.510 -0.273 0.000 1.164 602 N CA -1.191 51.773 53.050 -0.143 0.000 0.982 602 N CB 0.521 38.873 38.487 -0.225 0.000 1.170 602 N HN 0.562 nan 8.380 nan 0.000 0.474 603 P HA 0.071 nan 4.420 nan 0.000 0.282 603 P C -1.150 175.854 177.300 -0.494 0.000 1.287 603 P CA -0.330 62.594 63.100 -0.294 0.000 0.792 603 P CB 0.631 32.240 31.700 -0.152 0.000 1.163 604 D N 0.147 120.391 120.400 -0.261 0.000 2.344 604 D HA 0.054 4.694 4.640 0.000 0.000 0.253 604 D C 0.876 177.104 176.300 -0.120 0.000 1.255 604 D CA -0.215 53.663 54.000 -0.203 0.000 0.894 604 D CB -0.146 40.609 40.800 -0.074 0.000 1.067 604 D HN 0.175 nan 8.370 nan 0.000 0.492 605 F N 2.574 122.550 119.950 0.044 0.000 2.202 605 F HA -0.208 4.319 4.527 0.000 0.000 0.301 605 F C 2.066 177.889 175.800 0.037 0.000 1.082 605 F CA 0.154 58.185 58.000 0.051 0.000 1.313 605 F CB -0.007 38.983 39.000 -0.017 0.000 1.024 605 F HN 0.392 nan 8.300 nan 0.000 0.495 606 I N 0.378 121.058 120.570 0.183 0.000 2.286 606 I HA -0.212 3.958 4.170 0.000 0.000 0.245 606 I C 2.059 178.235 176.117 0.097 0.000 1.104 606 I CA 1.449 62.818 61.300 0.115 0.000 1.397 606 I CB -0.659 37.385 38.000 0.072 0.000 1.072 606 I HN -0.038 nan 8.210 nan 0.000 0.417 607 K N -0.238 120.207 120.400 0.076 0.000 2.148 607 K HA -0.128 4.192 4.320 0.000 0.000 0.204 607 K C 2.037 178.686 176.600 0.082 0.000 1.050 607 K CA 0.978 57.301 56.287 0.061 0.000 0.942 607 K CB -0.319 32.202 32.500 0.035 0.000 0.724 607 K HN 0.154 nan 8.250 nan 0.000 0.446 608 L N 1.246 122.538 121.223 0.115 0.000 1.994 608 L HA -0.136 4.205 4.340 0.000 0.000 0.208 608 L C 2.234 179.198 176.870 0.157 0.000 1.071 608 L CA 1.889 56.817 54.840 0.147 0.000 0.745 608 L CB -0.713 41.487 42.059 0.236 0.000 0.892 608 L HN 0.104 nan 8.230 nan 0.000 0.431 609 A N -0.371 122.555 122.820 0.177 0.000 1.908 609 A HA -0.259 4.061 4.320 0.000 0.000 0.218 609 A C 2.249 179.901 177.584 0.113 0.000 1.181 609 A CA 1.905 54.035 52.037 0.155 0.000 0.627 609 A CB -0.877 18.206 19.000 0.138 0.000 0.818 609 A HN 0.650 nan 8.150 nan 0.000 0.445 610 E N 1.027 121.283 120.200 0.094 0.000 2.106 610 E HA -0.062 4.288 4.350 0.000 0.000 0.192 610 E C 1.912 178.554 176.600 0.069 0.000 0.984 610 E CA 1.758 58.202 56.400 0.074 0.000 0.806 610 E CB -0.844 28.894 29.700 0.064 0.000 0.750 610 E HN 0.442 nan 8.360 nan 0.000 0.458 611 A N 0.834 123.697 122.820 0.072 0.000 1.969 611 A HA -0.046 4.274 4.320 0.000 0.000 0.218 611 A C 2.217 179.841 177.584 0.068 0.000 1.169 611 A CA 1.613 53.688 52.037 0.063 0.000 0.635 611 A CB -0.403 18.634 19.000 0.061 0.000 0.810 611 A HN 0.272 nan 8.150 nan 0.000 0.445 612 M N -1.619 118.031 119.600 0.083 0.000 2.595 612 M HA 0.112 4.593 4.480 0.000 0.000 0.248 612 M C 1.470 177.817 176.300 0.079 0.000 1.119 612 M CA 1.120 56.471 55.300 0.085 0.000 1.079 612 M CB -0.516 32.148 32.600 0.106 0.000 1.472 612 M HN 0.765 nan 8.290 nan 0.000 0.501 613 G N 1.642 110.486 108.800 0.074 0.000 2.163 613 G HA2 -0.177 3.784 3.960 0.000 0.000 0.213 613 G HA3 -0.177 3.784 3.960 0.000 0.000 0.213 613 G C -0.004 174.938 174.900 0.070 0.000 0.991 613 G CA 0.273 45.413 45.100 0.067 0.000 0.653 613 G HN 0.487 nan 8.290 nan 0.000 0.518 614 L N -2.863 118.408 121.223 0.080 0.000 2.256 614 L HA 0.902 5.243 4.340 0.000 0.000 0.261 614 L C 0.314 177.232 176.870 0.080 0.000 1.022 614 L CA -1.527 53.361 54.840 0.081 0.000 0.828 614 L CB 1.214 43.329 42.059 0.093 0.000 1.374 614 L HN 0.022 nan 8.230 nan 0.000 0.436 615 K N 0.032 120.479 120.400 0.079 0.000 2.350 615 K HA 0.518 4.838 4.320 0.000 0.000 0.279 615 K C -0.281 176.373 176.600 0.090 0.000 1.027 615 K CA 0.058 56.392 56.287 0.078 0.000 0.969 615 K CB 0.862 33.408 32.500 0.077 0.000 0.954 615 K HN 0.915 nan 8.250 nan 0.000 0.474 616 G N 4.185 113.031 108.800 0.077 0.000 2.530 616 G HA2 0.590 4.550 3.960 0.000 0.000 0.316 616 G HA3 0.590 4.550 3.960 0.000 0.000 0.316 616 G C -1.292 173.640 174.900 0.053 0.000 1.298 616 G CA -0.723 44.420 45.100 0.071 0.000 0.948 616 G HN 0.529 nan 8.290 nan 0.000 0.486 617 L N 1.194 122.436 121.223 0.031 0.000 2.388 617 L HA 0.731 5.071 4.340 0.000 0.000 0.264 617 L C -0.052 176.799 176.870 -0.031 0.000 0.998 617 L CA -1.052 53.792 54.840 0.007 0.000 0.817 617 L CB 2.919 44.986 42.059 0.012 0.000 1.338 617 L HN 0.548 nan 8.230 nan 0.000 0.414 618 R N 1.356 121.842 120.500 -0.024 0.000 2.673 618 R HA 0.840 5.181 4.340 0.000 0.000 0.281 618 R C -2.158 174.119 176.300 -0.037 0.000 0.991 618 R CA -0.542 55.539 56.100 -0.031 0.000 0.896 618 R CB 2.752 33.053 30.300 0.002 0.000 1.201 618 R HN 0.422 nan 8.270 nan 0.000 0.457 619 V N 4.710 124.594 119.914 -0.050 0.000 2.808 619 V HA 0.409 4.529 4.120 0.000 0.000 0.308 619 V C -0.605 175.466 176.094 -0.037 0.000 1.099 619 V CA -0.389 61.884 62.300 -0.044 0.000 0.920 619 V CB 1.980 33.765 31.823 -0.062 0.000 1.014 619 V HN 1.013 nan 8.190 nan 0.000 0.425 620 K N 3.807 124.192 120.400 -0.025 0.000 2.538 620 K HA 0.427 4.747 4.320 0.000 0.000 0.215 620 K C 0.079 176.667 176.600 -0.019 0.000 1.345 620 K CA -0.474 55.802 56.287 -0.019 0.000 0.985 620 K CB 0.732 33.228 32.500 -0.007 0.000 1.116 620 K HN 0.454 nan 8.250 nan 0.000 0.582 621 K N 2.007 122.396 120.400 -0.019 0.000 2.185 621 K HA 0.216 4.536 4.320 0.000 0.000 0.269 621 K C 0.368 176.954 176.600 -0.023 0.000 0.987 621 K CA -0.327 55.949 56.287 -0.017 0.000 0.865 621 K CB 1.764 34.256 32.500 -0.013 0.000 1.090 621 K HN 0.074 nan 8.250 nan 0.000 0.450 622 Q N 1.530 121.316 119.800 -0.023 0.000 2.096 622 Q HA -0.312 4.028 4.340 0.000 0.000 0.208 622 Q C 2.198 178.183 176.000 -0.025 0.000 0.993 622 Q CA 2.499 58.286 55.803 -0.026 0.000 0.862 622 Q CB -0.176 28.548 28.738 -0.023 0.000 0.915 622 Q HN 0.848 nan 8.270 nan 0.000 0.416 623 E N 1.262 121.450 120.200 -0.019 0.000 2.333 623 E HA -0.203 4.147 4.350 0.000 0.000 0.198 623 E C 1.311 177.901 176.600 -0.016 0.000 1.007 623 E CA 1.420 57.809 56.400 -0.017 0.000 0.845 623 E CB -0.387 29.305 29.700 -0.013 0.000 0.766 623 E HN 0.579 nan 8.360 nan 0.000 0.507 624 E N -1.290 118.899 120.200 -0.018 0.000 2.476 624 E HA 0.161 4.511 4.350 0.000 0.000 0.199 624 E C 1.778 178.365 176.600 -0.022 0.000 1.021 624 E CA 0.002 56.392 56.400 -0.017 0.000 0.907 624 E CB 0.243 29.934 29.700 -0.015 0.000 0.974 624 E HN 0.359 nan 8.360 nan 0.000 0.489 625 L N 2.013 123.218 121.223 -0.030 0.000 1.990 625 L HA -0.236 4.104 4.340 0.000 0.000 0.213 625 L C 1.499 178.353 176.870 -0.027 0.000 1.072 625 L CA 2.019 56.837 54.840 -0.038 0.000 0.755 625 L CB -0.347 41.684 42.059 -0.047 0.000 0.889 625 L HN 0.013 nan 8.230 nan 0.000 0.432 626 D N -0.214 120.172 120.400 -0.023 0.000 2.104 626 D HA -0.207 4.433 4.640 0.000 0.000 0.194 626 D C 2.160 178.460 176.300 -0.001 0.000 0.994 626 D CA 1.723 55.714 54.000 -0.015 0.000 0.830 626 D CB -0.329 40.460 40.800 -0.018 0.000 0.959 626 D HN 0.519 nan 8.370 nan 0.000 0.452 627 A N 1.201 124.021 122.820 -0.000 0.000 1.902 627 A HA -0.178 4.142 4.320 0.000 0.000 0.217 627 A C 2.082 179.680 177.584 0.023 0.000 1.181 627 A CA 1.330 53.373 52.037 0.010 0.000 0.623 627 A CB -0.222 18.781 19.000 0.005 0.000 0.818 627 A HN 0.007 nan 8.150 nan 0.000 0.443 628 K N -0.122 120.285 120.400 0.013 0.000 2.057 628 K HA -0.003 4.317 4.320 0.000 0.000 0.206 628 K C 1.899 178.535 176.600 0.060 0.000 1.050 628 K CA 1.018 57.315 56.287 0.018 0.000 0.935 628 K CB -0.651 31.833 32.500 -0.026 0.000 0.715 628 K HN 0.553 nan 8.250 nan 0.000 0.439 629 L N 0.630 121.883 121.223 0.050 0.000 2.083 629 L HA -0.187 4.153 4.340 0.000 0.000 0.209 629 L C 2.397 179.370 176.870 0.172 0.000 1.083 629 L CA 1.082 55.997 54.840 0.126 0.000 0.752 629 L CB -0.314 41.786 42.059 0.069 0.000 0.899 629 L HN 0.057 nan 8.230 nan 0.000 0.433 630 K N 0.364 120.820 120.400 0.093 0.000 2.002 630 K HA -0.211 4.110 4.320 0.000 0.000 0.209 630 K C 2.036 178.686 176.600 0.084 0.000 1.048 630 K CA 1.417 57.745 56.287 0.069 0.000 0.930 630 K CB -0.170 32.352 32.500 0.037 0.000 0.714 630 K HN 0.189 nan 8.250 nan 0.000 0.438 631 E N -0.809 119.447 120.200 0.094 0.000 2.085 631 E HA -0.219 4.132 4.350 0.000 0.000 0.194 631 E C 1.863 178.550 176.600 0.146 0.000 0.994 631 E CA 1.087 57.544 56.400 0.095 0.000 0.801 631 E CB -0.201 29.550 29.700 0.085 0.000 0.743 631 E HN 0.243 nan 8.360 nan 0.000 0.453 632 F N 1.124 121.078 119.950 0.007 0.000 2.043 632 F HA -0.257 4.270 4.527 0.000 0.000 0.297 632 F C 2.103 177.915 175.800 0.019 0.000 1.121 632 F CA 1.568 59.574 58.000 0.010 0.000 1.199 632 F CB -0.774 38.230 39.000 0.006 0.000 0.968 632 F HN -0.115 nan 8.300 nan 0.000 0.478 633 V N 0.209 120.090 119.914 -0.056 0.000 2.427 633 V HA -0.236 3.884 4.120 0.000 0.000 0.248 633 V C 2.368 178.402 176.094 -0.101 0.000 1.051 633 V CA 1.963 64.160 62.300 -0.172 0.000 1.048 633 V CB -1.034 30.766 31.823 -0.038 0.000 0.666 633 V HN 0.581 nan 8.190 nan 0.000 0.456 634 S N -1.926 113.755 115.700 -0.032 0.000 2.593 634 S HA 0.034 4.504 4.470 0.000 0.000 0.217 634 S C 0.900 175.492 174.600 -0.014 0.000 0.966 634 S CA -0.014 58.176 58.200 -0.017 0.000 0.914 634 S CB -0.411 62.792 63.200 0.005 0.000 0.776 634 S HN 0.484 nan 8.310 nan 0.000 0.523 635 T N 3.558 118.100 114.554 -0.019 0.000 2.916 635 T HA 0.201 4.551 4.350 0.000 0.000 0.303 635 T C -0.065 174.625 174.700 -0.016 0.000 1.025 635 T CA 0.103 62.202 62.100 -0.002 0.000 1.142 635 T CB 0.519 69.399 68.868 0.021 0.000 0.947 635 T HN 0.324 nan 8.240 nan 0.000 0.544 636 K N 2.255 122.656 120.400 0.002 0.000 2.201 636 K HA 0.563 4.883 4.320 0.000 0.000 0.278 636 K C 0.700 177.306 176.600 0.011 0.000 1.027 636 K CA -0.312 55.977 56.287 0.003 0.000 0.909 636 K CB 1.262 33.768 32.500 0.010 0.000 1.062 636 K HN 0.929 nan 8.250 nan 0.000 0.465 637 G N 3.166 111.972 108.800 0.010 0.000 2.663 637 G HA2 -0.142 3.818 3.960 0.000 0.000 0.686 637 G HA3 -0.142 3.818 3.960 0.000 0.000 0.686 637 G C -2.963 171.950 174.900 0.021 0.000 1.288 637 G CA -1.252 43.861 45.100 0.022 0.000 0.836 637 G HN 0.429 nan 8.290 nan 0.000 0.584 638 P HA 0.493 nan 4.420 nan 0.000 0.271 638 P C -0.343 176.997 177.300 0.066 0.000 1.218 638 P CA 0.020 63.149 63.100 0.049 0.000 0.780 638 P CB 1.836 33.576 31.700 0.067 0.000 0.901 639 V N 4.026 123.992 119.914 0.087 0.000 3.048 639 V HA 0.517 4.637 4.120 0.000 0.000 0.303 639 V C -1.658 174.578 176.094 0.237 0.000 1.214 639 V CA -1.048 61.339 62.300 0.146 0.000 0.984 639 V CB 2.217 34.132 31.823 0.152 0.000 1.054 639 V HN 0.499 nan 8.190 nan 0.000 0.430 640 L N 6.036 127.370 121.223 0.185 0.000 2.341 640 L HA 0.812 5.152 4.340 0.000 0.000 0.278 640 L C -1.584 175.284 176.870 -0.003 0.000 1.005 640 L CA -0.793 54.105 54.840 0.097 0.000 0.818 640 L CB 1.662 43.723 42.059 0.004 0.000 1.259 640 L HN 0.791 nan 8.230 nan 0.000 0.418 641 L N 4.691 125.777 121.223 -0.229 0.000 2.372 641 L HA 0.487 4.827 4.340 0.000 0.000 0.274 641 L C -0.738 175.896 176.870 -0.393 0.000 0.988 641 L CA -0.017 54.573 54.840 -0.416 0.000 0.833 641 L CB 1.737 43.207 42.059 -0.982 0.000 1.236 641 L HN 0.712 nan 8.230 nan 0.000 0.410 642 E N 4.397 124.451 120.200 -0.243 0.000 2.174 642 E HA 0.543 4.893 4.350 0.000 0.000 0.282 642 E C -1.674 174.834 176.600 -0.153 0.000 0.992 642 E CA -0.697 55.584 56.400 -0.198 0.000 0.803 642 E CB 1.565 31.240 29.700 -0.042 0.000 1.090 642 E HN 0.550 nan 8.360 nan 0.000 0.396 643 V N 4.893 124.713 119.914 -0.155 0.000 2.378 643 V HA 0.190 4.310 4.120 0.000 0.000 0.288 643 V C -0.283 175.773 176.094 -0.062 0.000 1.016 643 V CA -0.758 61.474 62.300 -0.114 0.000 0.840 643 V CB 1.441 33.183 31.823 -0.135 0.000 0.994 643 V HN 0.754 nan 8.190 nan 0.000 0.431 644 E N 3.373 123.554 120.200 -0.031 0.000 2.257 644 E HA 0.391 4.741 4.350 0.000 0.000 0.278 644 E C -0.298 176.293 176.600 -0.014 0.000 1.049 644 E CA -0.123 56.276 56.400 -0.001 0.000 0.876 644 E CB 1.562 31.268 29.700 0.010 0.000 1.035 644 E HN 0.641 nan 8.360 nan 0.000 0.419 645 V N 0.195 120.107 119.914 -0.003 0.000 3.046 645 V HA 0.408 4.528 4.120 0.000 0.000 0.316 645 V C 0.022 176.121 176.094 0.010 0.000 1.104 645 V CA -1.260 61.028 62.300 -0.020 0.000 1.006 645 V CB 1.936 33.731 31.823 -0.046 0.000 1.058 645 V HN 0.423 nan 8.190 nan 0.000 0.440 646 D N 1.316 121.713 120.400 -0.005 0.000 2.419 646 D HA 0.226 4.866 4.640 0.000 0.000 0.236 646 D C 0.008 176.348 176.300 0.067 0.000 1.165 646 D CA 0.468 54.486 54.000 0.029 0.000 0.882 646 D CB 0.620 41.429 40.800 0.016 0.000 1.201 646 D HN 0.698 nan 8.370 nan 0.000 0.443 647 K N 1.752 122.209 120.400 0.095 0.000 2.168 647 K HA 0.329 4.649 4.320 0.000 0.000 0.239 647 K C 0.112 176.790 176.600 0.130 0.000 0.999 647 K CA -0.951 55.407 56.287 0.118 0.000 0.900 647 K CB 0.931 33.506 32.500 0.125 0.000 1.111 647 K HN 0.194 nan 8.250 nan 0.000 0.452 648 K N -0.383 120.088 120.400 0.119 0.000 3.012 648 K HA -0.149 4.171 4.320 0.000 0.000 0.259 648 K C -0.868 175.838 176.600 0.177 0.000 0.989 648 K CA 0.388 56.748 56.287 0.122 0.000 0.728 648 K CB -2.192 30.374 32.500 0.109 0.000 1.260 648 K HN 0.365 nan 8.250 nan 0.000 0.480 649 V N 2.414 122.468 119.914 0.232 0.000 2.364 649 V HA 0.229 4.349 4.120 0.000 0.000 0.272 649 V C -1.313 175.018 176.094 0.394 0.000 1.036 649 V CA -1.386 61.087 62.300 0.289 0.000 0.880 649 V CB 1.398 33.362 31.823 0.236 0.000 0.991 649 V HN 0.104 nan 8.190 nan 0.000 0.460 650 P HA 0.256 nan 4.420 nan 0.000 0.277 650 P C -0.583 176.905 177.300 0.314 0.000 1.240 650 P CA -0.244 63.007 63.100 0.252 0.000 0.798 650 P CB 1.587 33.401 31.700 0.191 0.000 0.979 651 V N 4.022 123.969 119.914 0.055 0.000 2.461 651 V HA 0.248 4.368 4.120 0.000 0.000 0.275 651 V C 0.676 176.825 176.094 0.092 0.000 1.047 651 V CA 0.117 62.363 62.300 -0.090 0.000 0.955 651 V CB 0.082 31.429 31.823 -0.794 0.000 0.988 651 V HN 0.395 nan 8.190 nan 0.000 0.471 652 L N 6.736 128.111 121.223 0.254 0.000 2.376 652 L HA 0.606 4.946 4.340 0.000 0.000 0.258 652 L C -2.391 174.677 176.870 0.330 0.000 1.013 652 L CA -1.904 53.125 54.840 0.316 0.000 0.822 652 L CB 2.994 45.271 42.059 0.364 0.000 1.388 652 L HN 0.396 nan 8.230 nan 0.000 0.413 653 P HA 0.189 nan 4.420 nan 0.000 0.273 653 P C -1.299 176.164 177.300 0.271 0.000 1.250 653 P CA -0.386 62.849 63.100 0.225 0.000 0.793 653 P CB 1.302 32.987 31.700 -0.025 0.000 1.011 654 M N 0.500 120.235 119.600 0.225 0.000 2.324 654 M HA 0.350 4.830 4.480 0.000 0.000 0.288 654 M C -2.029 174.317 176.300 0.077 0.000 1.097 654 M CA -0.837 54.542 55.300 0.132 0.000 0.928 654 M CB 2.131 34.830 32.600 0.165 0.000 1.648 654 M HN -0.048 nan 8.290 nan 0.000 0.460 655 V N 3.996 123.906 119.914 -0.008 0.000 2.376 655 V HA 0.917 5.037 4.120 0.000 0.000 0.287 655 V C -0.469 175.623 176.094 -0.003 0.000 1.015 655 V CA -0.387 61.927 62.300 0.023 0.000 0.834 655 V CB 1.015 32.861 31.823 0.038 0.000 1.001 655 V HN 0.924 nan 8.190 nan 0.000 0.428 656 A N 3.458 126.291 122.820 0.022 0.000 2.556 656 A HA 1.004 5.324 4.320 0.000 0.000 0.294 656 A C 0.507 178.134 177.584 0.071 0.000 1.091 656 A CA 0.110 52.183 52.037 0.060 0.000 0.704 656 A CB 1.597 20.620 19.000 0.038 0.000 1.300 656 A HN 1.984 nan 8.150 nan 0.000 0.406 657 G N 0.472 109.310 108.800 0.063 0.000 2.536 657 G HA2 0.075 4.035 3.960 0.000 0.000 0.280 657 G HA3 0.075 4.035 3.960 0.000 0.000 0.280 657 G C 1.108 176.021 174.900 0.022 0.000 1.152 657 G CA 0.769 45.882 45.100 0.023 0.000 0.970 657 G HN 2.195 nan 8.290 nan 0.000 0.549 658 G N 0.299 109.110 108.800 0.018 0.000 3.284 658 G HA2 0.461 4.421 3.960 0.000 0.000 0.236 658 G HA3 0.461 4.421 3.960 0.000 0.000 0.236 658 G C 0.693 175.601 174.900 0.013 0.000 1.158 658 G CA 1.351 46.459 45.100 0.013 0.000 0.774 658 G HN 1.023 nan 8.290 nan 0.000 0.545 659 S N -0.013 115.696 115.700 0.016 0.000 2.576 659 S HA 0.512 4.982 4.470 0.000 0.000 0.276 659 S C 0.890 175.501 174.600 0.018 0.000 1.339 659 S CA -0.123 58.081 58.200 0.007 0.000 1.039 659 S CB 1.485 64.687 63.200 0.003 0.000 0.902 659 S HN 0.386 nan 8.310 nan 0.000 0.516 660 G N 0.483 109.290 108.800 0.011 0.000 2.528 660 G HA2 0.427 4.387 3.960 0.000 0.000 0.289 660 G HA3 0.427 4.387 3.960 0.000 0.000 0.289 660 G C 0.775 175.701 174.900 0.043 0.000 1.192 660 G CA -0.801 44.319 45.100 0.033 0.000 0.921 660 G HN 0.706 nan 8.290 nan 0.000 0.512 661 L N 0.087 121.351 121.223 0.068 0.000 2.261 661 L HA -0.072 4.268 4.340 0.000 0.000 0.216 661 L C 2.046 178.977 176.870 0.103 0.000 1.114 661 L CA 1.406 56.290 54.840 0.074 0.000 0.777 661 L CB -0.151 41.949 42.059 0.068 0.000 0.910 661 L HN 0.683 nan 8.230 nan 0.000 0.440 662 D N -0.939 119.482 120.400 0.034 0.000 2.339 662 D HA -0.084 4.557 4.640 0.000 0.000 0.217 662 D C 0.527 176.697 176.300 -0.217 0.000 1.050 662 D CA 0.168 54.161 54.000 -0.012 0.000 0.856 662 D CB -0.015 40.737 40.800 -0.081 0.000 0.922 662 D HN 0.355 nan 8.370 nan 0.000 0.518 663 E N 0.736 120.845 120.200 -0.152 0.000 3.012 663 E HA 0.194 4.544 4.350 0.000 0.000 0.228 663 E C -0.554 175.924 176.600 -0.204 0.000 1.184 663 E CA -0.654 55.596 56.400 -0.251 0.000 1.407 663 E CB -0.052 29.574 29.700 -0.124 0.000 1.438 663 E HN 0.289 nan 8.360 nan 0.000 0.435 664 F N -0.972 118.918 119.950 -0.100 0.000 2.378 664 F HA 0.535 5.062 4.527 0.000 0.000 0.325 664 F C 0.151 175.920 175.800 -0.051 0.000 1.097 664 F CA -1.444 56.508 58.000 -0.079 0.000 1.079 664 F CB 0.411 39.349 39.000 -0.105 0.000 1.240 664 F HN -0.145 nan 8.300 nan 0.000 0.519 665 I N 1.928 122.633 120.570 0.224 0.000 2.365 665 I HA 0.195 4.365 4.170 0.000 0.000 0.291 665 I C -0.128 176.181 176.117 0.320 0.000 1.004 665 I CA -0.169 61.227 61.300 0.160 0.000 1.311 665 I CB 0.899 38.949 38.000 0.083 0.000 1.401 665 I HN 0.746 nan 8.210 nan 0.000 0.491 666 N N 4.430 123.311 118.700 0.302 0.000 2.384 666 N HA 0.344 5.084 4.740 0.000 0.000 0.301 666 N C -0.767 174.919 175.510 0.293 0.000 1.133 666 N CA -0.761 52.511 53.050 0.369 0.000 0.853 666 N CB 1.496 40.255 38.487 0.452 0.000 1.241 666 N HN 0.356 nan 8.380 nan 0.000 0.502 667 F N 2.152 122.230 119.950 0.214 0.000 2.572 667 F HA 0.131 4.658 4.527 0.000 0.000 0.370 667 F C -0.238 175.648 175.800 0.142 0.000 1.103 667 F CA 0.301 58.409 58.000 0.180 0.000 1.286 667 F CB 0.474 39.596 39.000 0.204 0.000 1.105 667 F HN 0.351 nan 8.300 nan 0.000 0.583 668 D N 8.303 128.125 120.400 -0.964 0.000 2.478 668 D HA 0.199 4.840 4.640 0.000 0.000 0.240 668 D C -2.089 173.672 176.300 -0.898 0.000 1.364 668 D CA -1.680 51.865 54.000 -0.758 0.000 0.987 668 D CB 2.109 42.740 40.800 -0.282 0.000 1.328 668 D HN 0.245 nan 8.370 nan 0.000 0.584 669 P HA -0.182 nan 4.420 nan 0.000 0.216 669 P C 1.139 178.345 177.300 -0.157 0.000 1.150 669 P CA 1.018 63.908 63.100 -0.349 0.000 0.843 669 P CB 0.720 32.375 31.700 -0.074 0.000 0.787 670 E N -0.158 119.952 120.200 -0.150 0.000 2.072 670 E HA -0.101 4.249 4.350 0.000 0.000 0.191 670 E C 2.046 178.605 176.600 -0.069 0.000 0.985 670 E CA 0.905 57.258 56.400 -0.079 0.000 0.801 670 E CB -0.228 29.433 29.700 -0.066 0.000 0.750 670 E HN -0.048 nan 8.360 nan 0.000 0.452 671 V N 1.312 121.166 119.914 -0.101 0.000 2.343 671 V HA -0.248 3.872 4.120 0.000 0.000 0.247 671 V C 2.388 178.462 176.094 -0.033 0.000 1.051 671 V CA 2.189 64.450 62.300 -0.065 0.000 1.036 671 V CB -0.581 31.197 31.823 -0.075 0.000 0.654 671 V HN 0.380 nan 8.190 nan 0.000 0.451 672 E N 0.320 120.494 120.200 -0.042 0.000 2.085 672 E HA -0.284 4.066 4.350 0.000 0.000 0.194 672 E C 2.504 179.131 176.600 0.044 0.000 0.994 672 E CA 1.368 57.794 56.400 0.043 0.000 0.801 672 E CB -0.167 29.605 29.700 0.120 0.000 0.743 672 E HN 0.359 nan 8.360 nan 0.000 0.453 673 R N 0.417 120.932 120.500 0.025 0.000 2.075 673 R HA -0.159 4.181 4.340 0.000 0.000 0.232 673 R C 2.196 178.504 176.300 0.014 0.000 1.126 673 R CA 1.937 58.055 56.100 0.030 0.000 0.963 673 R CB -0.184 30.131 30.300 0.025 0.000 0.858 673 R HN 0.389 nan 8.270 nan 0.000 0.435 674 Q N -0.307 119.493 119.800 0.000 0.000 2.079 674 Q HA -0.150 4.190 4.340 0.000 0.000 0.200 674 Q C 2.183 178.173 176.000 -0.018 0.000 0.974 674 Q CA 1.148 56.947 55.803 -0.008 0.000 0.840 674 Q CB -0.062 28.669 28.738 -0.012 0.000 0.898 674 Q HN 0.290 nan 8.270 nan 0.000 0.430 675 Q N -0.068 119.731 119.800 -0.001 0.000 2.170 675 Q HA -0.110 4.230 4.340 0.000 0.000 0.203 675 Q C 2.080 178.048 176.000 -0.053 0.000 0.976 675 Q CA 1.469 57.280 55.803 0.013 0.000 0.858 675 Q CB -0.223 28.568 28.738 0.088 0.000 0.907 675 Q HN 0.409 nan 8.270 nan 0.000 0.433 676 T N 1.187 115.709 114.554 -0.053 0.000 2.737 676 T HA -0.134 4.217 4.350 0.000 0.000 0.265 676 T C 1.639 176.155 174.700 -0.307 0.000 1.038 676 T CA 1.368 63.370 62.100 -0.163 0.000 1.144 676 T CB -0.069 68.773 68.868 -0.044 0.000 0.866 676 T HN 0.395 nan 8.240 nan 0.000 0.434 677 E N 0.697 120.838 120.200 -0.099 0.000 2.051 677 E HA -0.103 4.247 4.350 0.000 0.000 0.192 677 E C 2.153 178.704 176.600 -0.082 0.000 0.991 677 E CA 0.811 57.204 56.400 -0.011 0.000 0.799 677 E CB -0.290 29.424 29.700 0.024 0.000 0.748 677 E HN 0.196 nan 8.360 nan 0.000 0.449 678 L N 1.485 122.625 121.223 -0.139 0.000 2.127 678 L HA -0.177 4.163 4.340 0.000 0.000 0.211 678 L C 2.336 178.992 176.870 -0.358 0.000 1.089 678 L CA 1.691 56.410 54.840 -0.202 0.000 0.757 678 L CB -0.304 41.635 42.059 -0.200 0.000 0.899 678 L HN -0.050 nan 8.230 nan 0.000 0.434 679 R N -1.883 118.346 120.500 -0.451 0.000 2.066 679 R HA -0.165 4.175 4.340 0.000 0.000 0.232 679 R C 2.321 178.550 176.300 -0.118 0.000 1.131 679 R CA 1.327 57.186 56.100 -0.401 0.000 0.955 679 R CB -0.312 29.870 30.300 -0.196 0.000 0.851 679 R HN 0.495 nan 8.270 nan 0.000 0.432 680 H N 0.660 119.731 119.070 0.002 0.000 2.387 680 H HA -0.080 4.476 4.556 0.000 0.000 0.299 680 H C 1.871 177.202 175.328 0.005 0.000 1.099 680 H CA 1.423 57.485 56.048 0.024 0.000 1.315 680 H CB 0.010 29.781 29.762 0.015 0.000 1.380 680 H HN 0.273 nan 8.280 nan 0.000 0.513 681 K N 0.639 121.089 120.400 0.084 0.000 2.001 681 K HA -0.053 4.268 4.320 0.000 0.000 0.208 681 K C 2.449 179.065 176.600 0.026 0.000 1.048 681 K CA 0.752 57.063 56.287 0.040 0.000 0.932 681 K CB -0.005 32.499 32.500 0.006 0.000 0.715 681 K HN 0.157 nan 8.250 nan 0.000 0.437 682 R N 0.456 120.951 120.500 -0.008 0.000 2.105 682 R HA -0.096 4.244 4.340 0.000 0.000 0.239 682 R C 2.139 178.471 176.300 0.053 0.000 1.135 682 R CA 1.833 57.938 56.100 0.008 0.000 0.967 682 R CB -0.448 29.838 30.300 -0.023 0.000 0.861 682 R HN 0.359 nan 8.270 nan 0.000 0.442 683 T N -2.662 111.952 114.554 0.101 0.000 3.219 683 T HA 0.177 4.527 4.350 0.000 0.000 0.249 683 T C 1.171 175.927 174.700 0.094 0.000 1.099 683 T CA 0.327 62.518 62.100 0.153 0.000 0.988 683 T CB 0.514 69.569 68.868 0.311 0.000 0.999 683 T HN 0.398 nan 8.240 nan 0.000 0.550 684 G N 0.905 109.744 108.800 0.064 0.000 2.225 684 G HA2 0.055 4.015 3.960 0.000 0.000 0.267 684 G HA3 0.055 4.015 3.960 0.000 0.000 0.267 684 G C 1.070 175.984 174.900 0.024 0.000 1.024 684 G CA 0.302 45.424 45.100 0.037 0.000 0.784 684 G HN 1.799 nan 8.290 nan 0.000 0.507 685 G N -1.171 107.661 108.800 0.053 0.000 2.162 685 G HA2 -0.330 3.630 3.960 0.000 0.000 0.260 685 G HA3 -0.330 3.630 3.960 0.000 0.000 0.260 685 G C 1.084 175.964 174.900 -0.033 0.000 0.976 685 G CA 1.421 46.536 45.100 0.025 0.000 0.655 685 G HN 0.880 nan 8.290 nan 0.000 0.533 686 K N -0.671 119.686 120.400 -0.072 0.000 2.228 686 K HA 0.089 4.409 4.320 0.000 0.000 0.202 686 K C 0.922 177.146 176.600 -0.627 0.000 1.051 686 K CA 0.925 57.019 56.287 -0.323 0.000 0.960 686 K CB 0.043 32.336 32.500 -0.345 0.000 0.743 686 K HN 0.639 nan 8.250 nan 0.000 0.458 687 H N 0.000 119.149 119.070 0.132 0.000 2.539 687 H HA 0.000 4.556 4.556 0.000 0.000 0.296 687 H CA 0.000 56.135 56.048 0.145 0.000 1.023 687 H CB 0.000 29.806 29.762 0.074 0.000 1.292 687 H HN 0.000 nan 8.280 nan 0.000 0.496