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 3lfv_1_A DATA FIRST_RESID 90 DATA SEQUENCE AMEHMASMTR KISASEFDRP LRPIVVKDSE GTVSFLSDXX XXXXXXXXXX DATA SEQUENCE XXXXXXGDQS SRLLELVKDI SSHLDVTALC HKIFLHIHGL ISADRYSLFL DATA SEQUENCE VCEDSSNDKF LISRLFDVAE GSTLEEVSNN CIRLEWNKGI VGHVAALGEP DATA SEQUENCE LNIKDAYEDP RFNAEVDQIT GYKTQSILCM PIKNHREEVV GVAQAINKKS DATA SEQUENCE GNGGTFTEKD EKDFAAYLAF CGIVLHNAQL YETSLLENKR NQVLLDLASL DATA SEQUENCE IFEEQQSLEV ILKKIAATII SFMQVQKCTI FIVDEDCSDS FSSVFHMECE DATA SEQUENCE ELEKSXXXXX XXXXXXXINY MYAQYVKNTM EPLNIPDVSK DKRFPWXXXX DATA SEQUENCE XXXXXXQCIR SLLCTPIKNG KKNKVIGVCQ LVNKMEENTG KVKPFNRNDE DATA SEQUENCE QFLEAFVIFC GLGIQNTQMY EAVERAMAKR N 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 90 A HA 0.000 nan 4.320 nan 0.000 0.244 90 A C 0.000 177.613 177.584 0.048 0.000 1.274 90 A CA 0.000 52.050 52.037 0.021 0.000 0.836 90 A CB 0.000 19.015 19.000 0.025 0.000 0.831 91 M N -0.234 119.398 119.600 0.054 0.000 2.652 91 M HA 0.346 4.826 4.480 -0.000 0.000 0.226 91 M C 0.273 176.616 176.300 0.072 0.000 1.244 91 M CA 0.814 56.162 55.300 0.080 0.000 0.986 91 M CB -0.492 32.144 32.600 0.061 0.000 1.666 91 M HN 0.670 nan 8.290 nan 0.000 0.460 92 E N 0.743 120.986 120.200 0.071 0.000 2.077 92 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 92 E C 1.733 178.400 176.600 0.113 0.000 0.989 92 E CA 1.330 57.770 56.400 0.068 0.000 0.800 92 E CB -0.384 29.349 29.700 0.056 0.000 0.746 92 E HN 0.747 nan 8.360 nan 0.000 0.452 93 H N 0.188 119.272 119.070 0.023 0.000 2.325 93 H HA -0.227 4.329 4.556 -0.000 0.000 0.293 93 H C 2.189 177.556 175.328 0.066 0.000 1.106 93 H CA 1.782 57.852 56.048 0.036 0.000 1.247 93 H CB 0.040 29.821 29.762 0.032 0.000 1.359 93 H HN 0.178 nan 8.280 nan 0.000 0.488 94 M N -0.298 119.359 119.600 0.096 0.000 2.099 94 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 94 M C 2.897 179.179 176.300 -0.030 0.000 1.067 94 M CA 1.329 56.675 55.300 0.076 0.000 1.124 94 M CB -0.169 32.494 32.600 0.104 0.000 1.353 94 M HN 0.355 nan 8.290 nan 0.000 0.410 95 A N -0.464 122.333 122.820 -0.039 0.000 1.927 95 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 95 A C 2.242 179.797 177.584 -0.047 0.000 1.185 95 A CA 2.555 54.556 52.037 -0.061 0.000 0.639 95 A CB -1.125 17.855 19.000 -0.032 0.000 0.820 95 A HN 0.519 nan 8.150 nan 0.000 0.451 96 S N -1.188 114.499 115.700 -0.022 0.000 2.383 96 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 96 S C 2.102 176.683 174.600 -0.031 0.000 1.026 96 S CA 1.597 59.787 58.200 -0.017 0.000 0.981 96 S CB -0.441 62.767 63.200 0.013 0.000 0.818 96 S HN 0.531 nan 8.310 nan 0.000 0.472 97 M N 0.582 120.152 119.600 -0.050 0.000 2.086 97 M HA -0.095 4.385 4.480 -0.000 0.000 0.261 97 M C 2.423 178.763 176.300 0.067 0.000 1.067 97 M CA 1.851 57.166 55.300 0.026 0.000 1.116 97 M CB -1.001 31.682 32.600 0.140 0.000 1.348 97 M HN 0.275 nan 8.290 nan 0.000 0.407 98 T N 0.196 114.729 114.554 -0.034 0.000 2.720 98 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 98 T C 1.798 176.461 174.700 -0.062 0.000 1.037 98 T CA 1.338 63.352 62.100 -0.144 0.000 1.144 98 T CB -0.231 68.464 68.868 -0.289 0.000 0.864 98 T HN 0.367 nan 8.240 nan 0.000 0.444 99 R N 0.784 121.259 120.500 -0.042 0.000 2.115 99 R HA 0.067 4.407 4.340 -0.000 0.000 0.230 99 R C 2.155 178.456 176.300 0.003 0.000 1.111 99 R CA 0.843 56.929 56.100 -0.022 0.000 0.976 99 R CB -0.036 30.253 30.300 -0.019 0.000 0.870 99 R HN 0.281 nan 8.270 nan 0.000 0.445 100 K N 0.236 120.647 120.400 0.019 0.000 2.487 100 K HA 0.137 4.457 4.320 -0.000 0.000 0.192 100 K C 0.130 176.772 176.600 0.070 0.000 1.027 100 K CA 0.455 56.764 56.287 0.037 0.000 1.054 100 K CB 0.365 32.886 32.500 0.035 0.000 0.824 100 K HN 0.142 nan 8.250 nan 0.000 0.510 101 I N 0.193 120.811 120.570 0.080 0.000 2.534 101 I HA 0.039 4.209 4.170 -0.000 0.000 0.288 101 I C -0.919 175.266 176.117 0.113 0.000 1.077 101 I CA -0.493 60.896 61.300 0.149 0.000 1.051 101 I CB 2.344 40.457 38.000 0.189 0.000 1.234 101 I HN -0.207 nan 8.210 nan 0.000 0.425 102 S N 4.766 120.552 115.700 0.144 0.000 2.461 102 S HA 0.427 4.897 4.470 -0.000 0.000 0.322 102 S C 1.068 175.784 174.600 0.193 0.000 1.063 102 S CA -0.037 58.225 58.200 0.102 0.000 1.120 102 S CB 1.285 64.509 63.200 0.041 0.000 0.968 102 S HN 0.774 nan 8.310 nan 0.000 0.467 103 A N 4.061 126.965 122.820 0.140 0.000 1.969 103 A HA -0.189 4.131 4.320 -0.000 0.000 0.223 103 A C 2.497 180.175 177.584 0.157 0.000 1.218 103 A CA 2.686 54.808 52.037 0.140 0.000 0.667 103 A CB -1.480 17.527 19.000 0.011 0.000 0.826 103 A HN 0.967 nan 8.150 nan 0.000 0.472 104 S N -0.747 115.000 115.700 0.078 0.000 2.402 104 S HA -0.256 4.214 4.470 -0.000 0.000 0.233 104 S C 1.831 176.452 174.600 0.034 0.000 1.030 104 S CA 1.944 60.172 58.200 0.046 0.000 1.003 104 S CB -0.398 62.814 63.200 0.019 0.000 0.813 104 S HN 0.691 nan 8.310 nan 0.000 0.477 105 E N -0.771 119.424 120.200 -0.007 0.000 2.158 105 E HA 0.026 4.376 4.350 -0.000 0.000 0.191 105 E C 1.075 177.507 176.600 -0.280 0.000 0.982 105 E CA 0.846 57.139 56.400 -0.179 0.000 0.823 105 E CB -0.108 29.398 29.700 -0.323 0.000 0.766 105 E HN 0.689 nan 8.360 nan 0.000 0.468 106 F N 0.732 120.683 119.950 0.002 0.000 2.802 106 F HA -0.001 4.526 4.527 -0.000 0.000 0.300 106 F C 0.977 176.784 175.800 0.013 0.000 1.168 106 F CA 0.255 58.260 58.000 0.009 0.000 1.433 106 F CB 0.186 39.191 39.000 0.009 0.000 1.115 106 F HN -0.172 nan 8.300 nan 0.000 0.582 107 D N 1.961 122.429 120.400 0.113 0.000 2.713 107 D HA 0.152 4.792 4.640 -0.000 0.000 0.229 107 D C 0.087 176.427 176.300 0.067 0.000 1.136 107 D CA 0.010 54.064 54.000 0.091 0.000 1.010 107 D CB -0.323 40.525 40.800 0.079 0.000 1.084 107 D HN 0.387 nan 8.370 nan 0.000 0.495 108 R N -0.739 119.795 120.500 0.057 0.000 2.712 108 R HA 0.552 4.892 4.340 -0.000 0.000 0.272 108 R C -3.110 173.209 176.300 0.032 0.000 1.032 108 R CA -1.813 54.303 56.100 0.025 0.000 0.874 108 R CB 0.060 30.352 30.300 -0.014 0.000 1.256 108 R HN -0.202 nan 8.270 nan 0.000 0.468 109 P HA 0.038 nan 4.420 nan 0.000 0.258 109 P C -0.849 176.467 177.300 0.027 0.000 1.187 109 P CA 0.337 63.446 63.100 0.017 0.000 0.767 109 P CB 0.291 31.989 31.700 -0.005 0.000 0.770 110 L N 3.517 124.769 121.223 0.049 0.000 2.333 110 L HA 0.525 4.865 4.340 -0.000 0.000 0.269 110 L C 0.987 177.886 176.870 0.048 0.000 1.010 110 L CA -1.306 53.568 54.840 0.057 0.000 0.818 110 L CB 1.768 43.887 42.059 0.100 0.000 1.306 110 L HN 0.210 nan 8.230 nan 0.000 0.430 111 R N 1.566 122.091 120.500 0.041 0.000 2.734 111 R HA 0.159 4.499 4.340 -0.000 0.000 0.266 111 R C -2.223 174.098 176.300 0.036 0.000 1.044 111 R CA -1.215 54.904 56.100 0.032 0.000 1.128 111 R CB 0.055 30.372 30.300 0.028 0.000 1.010 111 R HN 0.330 nan 8.270 nan 0.000 0.461 112 P HA -0.038 nan 4.420 nan 0.000 0.269 112 P C 0.225 177.524 177.300 -0.003 0.000 1.209 112 P CA 0.368 63.471 63.100 0.005 0.000 0.776 112 P CB 0.507 32.195 31.700 -0.019 0.000 0.876 113 I N 1.118 121.682 120.570 -0.010 0.000 2.676 113 I HA -0.095 4.075 4.170 -0.000 0.000 0.259 113 I C 1.371 177.415 176.117 -0.122 0.000 1.194 113 I CA 0.979 62.278 61.300 -0.002 0.000 1.473 113 I CB -0.163 37.852 38.000 0.025 0.000 1.096 113 I HN 0.223 nan 8.210 nan 0.000 0.443 114 V N -2.993 116.795 119.914 -0.209 0.000 3.139 114 V HA 0.773 4.893 4.120 -0.000 0.000 0.310 114 V C -0.446 175.538 176.094 -0.183 0.000 1.260 114 V CA -0.896 61.205 62.300 -0.331 0.000 1.064 114 V CB 2.288 33.802 31.823 -0.515 0.000 1.160 114 V HN -0.289 nan 8.190 nan 0.000 0.470 115 V N 0.080 119.886 119.914 -0.180 0.000 2.859 115 V HA 0.331 4.451 4.120 -0.000 0.000 0.257 115 V C -0.864 175.172 176.094 -0.096 0.000 1.691 115 V CA -0.680 61.557 62.300 -0.106 0.000 0.901 115 V CB 2.071 33.849 31.823 -0.076 0.000 1.246 115 V HN 1.026 nan 8.190 nan 0.000 0.466 116 K N 2.654 123.014 120.400 -0.066 0.000 2.123 116 K HA 0.654 4.974 4.320 -0.000 0.000 0.259 116 K C -1.152 175.428 176.600 -0.033 0.000 0.960 116 K CA -0.777 55.480 56.287 -0.051 0.000 0.872 116 K CB 1.519 33.993 32.500 -0.044 0.000 1.079 116 K HN 0.585 nan 8.250 nan 0.000 0.440 117 D N 0.668 121.052 120.400 -0.025 0.000 2.620 117 D HA 0.159 4.799 4.640 -0.000 0.000 0.252 117 D C -1.257 175.036 176.300 -0.012 0.000 1.207 117 D CA -0.045 53.946 54.000 -0.015 0.000 0.884 117 D CB 1.218 42.012 40.800 -0.010 0.000 1.262 117 D HN 0.482 nan 8.370 nan 0.000 0.552 118 S N 2.965 118.659 115.700 -0.010 0.000 3.551 118 S HA -0.199 4.271 4.470 -0.000 0.000 0.547 118 S C 0.693 175.288 174.600 -0.008 0.000 0.699 118 S CA 1.168 59.363 58.200 -0.007 0.000 1.399 118 S CB -0.724 62.473 63.200 -0.005 0.000 0.922 118 S HN 0.818 nan 8.310 nan 0.000 0.818 119 E N -0.449 119.745 120.200 -0.009 0.000 4.047 119 E HA -0.149 4.201 4.350 -0.000 0.000 0.340 119 E C 0.426 177.018 176.600 -0.012 0.000 0.720 119 E CA 1.509 57.904 56.400 -0.009 0.000 1.320 119 E CB -1.319 28.377 29.700 -0.007 0.000 1.685 119 E HN 2.351 nan 8.360 nan 0.000 0.416 120 G N 0.809 109.599 108.800 -0.016 0.000 2.417 120 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.291 120 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.291 120 G C -0.056 174.828 174.900 -0.027 0.000 1.094 120 G CA 0.399 45.485 45.100 -0.023 0.000 1.146 120 G HN 0.716 nan 8.290 nan 0.000 0.519 121 T N -2.061 112.477 114.554 -0.026 0.000 2.767 121 T HA 0.680 5.030 4.350 -0.000 0.000 0.284 121 T C 0.402 175.076 174.700 -0.043 0.000 0.973 121 T CA -0.823 61.260 62.100 -0.028 0.000 0.996 121 T CB 2.780 71.638 68.868 -0.016 0.000 0.927 121 T HN 0.682 nan 8.240 nan 0.000 0.456 122 V N 2.852 122.730 119.914 -0.059 0.000 2.785 122 V HA 0.771 4.891 4.120 -0.000 0.000 0.300 122 V C 0.344 176.376 176.094 -0.103 0.000 1.062 122 V CA -0.105 62.133 62.300 -0.105 0.000 1.029 122 V CB 1.611 33.353 31.823 -0.135 0.000 1.024 122 V HN 1.192 nan 8.190 nan 0.000 0.477 123 S N 2.397 117.990 115.700 -0.178 0.000 2.579 123 S HA 0.411 4.881 4.470 -0.000 0.000 0.290 123 S C -0.295 174.183 174.600 -0.202 0.000 1.123 123 S CA -0.518 57.630 58.200 -0.086 0.000 0.894 123 S CB 0.688 63.877 63.200 -0.018 0.000 1.095 123 S HN 0.357 nan 8.310 nan 0.000 0.450 124 F N 1.898 121.841 119.950 -0.013 0.000 2.473 124 F HA 0.389 4.916 4.527 -0.000 0.000 0.294 124 F C 0.984 176.789 175.800 0.007 0.000 1.103 124 F CA 0.031 58.031 58.000 0.001 0.000 1.442 124 F CB 0.164 39.179 39.000 0.025 0.000 1.097 124 F HN 0.384 nan 8.300 nan 0.000 0.547 125 L N 0.009 121.337 121.223 0.175 0.000 2.349 125 L HA 0.291 4.631 4.340 -0.000 0.000 0.275 125 L C 0.475 177.377 176.870 0.053 0.000 1.115 125 L CA 0.015 54.917 54.840 0.103 0.000 0.820 125 L CB 0.595 42.706 42.059 0.087 0.000 1.135 125 L HN -0.096 nan 8.230 nan 0.000 0.445 126 S N 2.166 117.891 115.700 0.043 0.000 2.561 126 S HA 0.631 5.101 4.470 -0.000 0.000 0.282 126 S C -0.904 173.707 174.600 0.019 0.000 1.123 126 S CA -0.504 57.711 58.200 0.024 0.000 1.011 126 S CB 1.289 64.504 63.200 0.025 0.000 1.244 126 S HN 0.762 nan 8.310 nan 0.000 0.503 147 D N 0.082 120.485 120.400 0.006 0.000 2.366 147 D HA 0.071 4.711 4.640 -0.000 0.000 0.205 147 D C 2.119 178.417 176.300 -0.002 0.000 1.022 147 D CA 0.808 54.808 54.000 -0.000 0.000 0.868 147 D CB 0.811 41.611 40.800 -0.001 0.000 0.953 147 D HN 0.306 nan 8.370 nan 0.000 0.514 148 Q N 0.412 120.216 119.800 0.007 0.000 2.008 148 Q HA -0.013 4.327 4.340 -0.000 0.000 0.196 148 Q C 2.059 178.066 176.000 0.012 0.000 0.973 148 Q CA 1.581 57.389 55.803 0.010 0.000 0.826 148 Q CB -0.497 28.256 28.738 0.026 0.000 0.894 148 Q HN -0.127 nan 8.270 nan 0.000 0.439 149 S N 0.058 115.772 115.700 0.023 0.000 2.400 149 S HA -0.265 4.204 4.470 -0.000 0.000 0.234 149 S C 1.947 176.547 174.600 -0.000 0.000 1.049 149 S CA 1.590 59.804 58.200 0.024 0.000 1.039 149 S CB -0.753 62.464 63.200 0.028 0.000 0.856 149 S HN 0.662 nan 8.310 nan 0.000 0.465 150 S N 0.895 116.591 115.700 -0.007 0.000 2.368 150 S HA -0.081 4.389 4.470 -0.000 0.000 0.224 150 S C 1.896 176.474 174.600 -0.036 0.000 1.029 150 S CA 1.222 59.409 58.200 -0.020 0.000 0.988 150 S CB -0.263 62.927 63.200 -0.016 0.000 0.838 150 S HN 0.344 nan 8.310 nan 0.000 0.462 151 R N 0.579 121.056 120.500 -0.038 0.000 2.119 151 R HA 0.236 4.576 4.340 -0.000 0.000 0.222 151 R C 2.123 178.375 176.300 -0.080 0.000 1.088 151 R CA 0.940 57.003 56.100 -0.063 0.000 0.984 151 R CB -1.328 28.933 30.300 -0.064 0.000 0.884 151 R HN 0.483 nan 8.270 nan 0.000 0.447 152 L N 0.265 121.459 121.223 -0.048 0.000 2.083 152 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 152 L C 1.760 178.572 176.870 -0.097 0.000 1.083 152 L CA 1.682 56.501 54.840 -0.034 0.000 0.752 152 L CB -0.529 41.553 42.059 0.038 0.000 0.899 152 L HN 0.251 nan 8.230 nan 0.000 0.433 153 L N -1.004 120.158 121.223 -0.103 0.000 2.056 153 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 153 L C 2.514 179.321 176.870 -0.105 0.000 1.078 153 L CA 1.305 56.066 54.840 -0.132 0.000 0.749 153 L CB -0.536 41.469 42.059 -0.090 0.000 0.901 153 L HN 0.322 nan 8.230 nan 0.000 0.433 154 E N 0.107 120.256 120.200 -0.084 0.000 2.077 154 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 154 E C 2.336 178.893 176.600 -0.071 0.000 0.989 154 E CA 1.084 57.441 56.400 -0.072 0.000 0.800 154 E CB -0.056 29.599 29.700 -0.076 0.000 0.746 154 E HN 0.456 nan 8.360 nan 0.000 0.452 155 L N 0.184 121.338 121.223 -0.115 0.000 2.005 155 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 155 L C 2.509 179.455 176.870 0.127 0.000 1.072 155 L CA 0.726 55.500 54.840 -0.110 0.000 0.744 155 L CB -0.495 41.401 42.059 -0.271 0.000 0.895 155 L HN 0.042 nan 8.230 nan 0.000 0.433 156 V N 0.178 120.108 119.914 0.026 0.000 2.332 156 V HA -0.350 3.770 4.120 -0.000 0.000 0.248 156 V C 2.581 178.663 176.094 -0.020 0.000 1.055 156 V CA 1.999 64.267 62.300 -0.054 0.000 1.038 156 V CB -0.603 30.969 31.823 -0.418 0.000 0.651 156 V HN 0.439 nan 8.190 nan 0.000 0.450 157 K N -0.346 120.031 120.400 -0.038 0.000 2.103 157 K HA -0.273 4.047 4.320 -0.000 0.000 0.207 157 K C 1.992 178.604 176.600 0.020 0.000 1.048 157 K CA 1.949 58.222 56.287 -0.023 0.000 0.930 157 K CB -0.233 32.248 32.500 -0.031 0.000 0.716 157 K HN 0.476 nan 8.250 nan 0.000 0.444 158 D N 0.639 121.091 120.400 0.086 0.000 2.137 158 D HA -0.104 4.536 4.640 -0.000 0.000 0.202 158 D C 1.839 178.257 176.300 0.197 0.000 0.970 158 D CA 1.159 55.247 54.000 0.148 0.000 0.837 158 D CB 0.020 40.967 40.800 0.245 0.000 0.981 158 D HN 0.445 nan 8.370 nan 0.000 0.475 159 I N -1.794 118.924 120.570 0.247 0.000 2.928 159 I HA 0.004 4.174 4.170 -0.000 0.000 0.266 159 I C 1.869 178.085 176.117 0.166 0.000 1.234 159 I CA 0.475 61.933 61.300 0.263 0.000 1.483 159 I CB -0.120 38.016 38.000 0.227 0.000 1.097 159 I HN -0.220 nan 8.210 nan 0.000 0.455 160 S N 1.311 117.048 115.700 0.063 0.000 2.461 160 S HA -0.067 4.403 4.470 -0.000 0.000 0.228 160 S C 2.047 176.612 174.600 -0.059 0.000 1.005 160 S CA 1.282 59.488 58.200 0.010 0.000 0.942 160 S CB -0.198 62.996 63.200 -0.008 0.000 0.776 160 S HN 0.767 nan 8.310 nan 0.000 0.514 161 S N 0.659 116.263 115.700 -0.159 0.000 2.603 161 S HA 0.057 4.527 4.470 -0.000 0.000 0.220 161 S C 0.233 174.641 174.600 -0.320 0.000 0.967 161 S CA 0.042 58.084 58.200 -0.263 0.000 0.920 161 S CB -0.280 62.724 63.200 -0.327 0.000 0.773 161 S HN 0.450 nan 8.310 nan 0.000 0.529 162 H N 1.428 120.480 119.070 -0.031 0.000 2.685 162 H HA 0.363 4.919 4.556 -0.000 0.000 0.286 162 H C 0.348 175.648 175.328 -0.048 0.000 1.102 162 H CA -0.436 55.594 56.048 -0.030 0.000 1.254 162 H CB 0.831 30.588 29.762 -0.007 0.000 1.397 162 H HN 0.277 nan 8.280 nan 0.000 0.473 163 L N 1.945 123.168 121.223 0.000 0.000 2.627 163 L HA 0.045 4.385 4.340 -0.000 0.000 0.232 163 L C 0.381 177.309 176.870 0.097 0.000 1.150 163 L CA 0.203 55.021 54.840 -0.037 0.000 0.917 163 L CB 0.005 41.848 42.059 -0.359 0.000 1.104 163 L HN 0.393 nan 8.230 nan 0.000 0.445 164 D N -0.905 119.567 120.400 0.120 0.000 2.359 164 D HA 0.138 4.778 4.640 -0.000 0.000 0.230 164 D C 1.101 177.435 176.300 0.057 0.000 1.118 164 D CA -0.253 53.810 54.000 0.106 0.000 0.844 164 D CB 1.559 42.420 40.800 0.103 0.000 1.059 164 D HN -0.200 nan 8.370 nan 0.000 0.493 165 V N 3.297 123.236 119.914 0.041 0.000 2.287 165 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 165 V C 2.261 178.346 176.094 -0.016 0.000 1.053 165 V CA 2.081 64.385 62.300 0.007 0.000 1.027 165 V CB -0.670 31.148 31.823 -0.008 0.000 0.646 165 V HN 0.703 nan 8.190 nan 0.000 0.447 166 T N 0.468 115.021 114.554 -0.002 0.000 2.580 166 T HA -0.273 4.077 4.350 -0.000 0.000 0.265 166 T C 2.028 176.773 174.700 0.075 0.000 1.063 166 T CA 2.108 64.223 62.100 0.026 0.000 1.170 166 T CB -0.576 68.325 68.868 0.055 0.000 0.863 166 T HN 0.595 nan 8.240 nan 0.000 0.418 167 A N 0.795 123.627 122.820 0.020 0.000 1.978 167 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 167 A C 2.246 179.706 177.584 -0.207 0.000 1.170 167 A CA 1.482 53.468 52.037 -0.084 0.000 0.636 167 A CB -0.722 18.177 19.000 -0.169 0.000 0.810 167 A HN 0.432 nan 8.150 nan 0.000 0.448 168 L N -0.505 120.624 121.223 -0.156 0.000 2.072 168 L HA -0.098 4.241 4.340 -0.000 0.000 0.205 168 L C 2.424 179.240 176.870 -0.090 0.000 1.079 168 L CA 2.077 56.834 54.840 -0.138 0.000 0.752 168 L CB -0.967 41.083 42.059 -0.014 0.000 0.906 168 L HN 0.425 nan 8.230 nan 0.000 0.436 169 C N -0.280 118.970 119.300 -0.083 0.000 2.413 169 C HA -0.207 4.253 4.460 -0.000 0.000 0.276 169 C C 2.580 177.492 174.990 -0.129 0.000 1.248 169 C CA 1.226 60.173 59.018 -0.119 0.000 1.742 169 C CB -1.518 26.105 27.740 -0.196 0.000 2.017 169 C HN 0.673 nan 8.230 nan 0.000 0.481 170 H N 0.473 119.489 119.070 -0.090 0.000 2.352 170 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 170 H C 2.252 177.561 175.328 -0.032 0.000 1.097 170 H CA 2.145 58.163 56.048 -0.049 0.000 1.311 170 H CB -0.035 29.676 29.762 -0.084 0.000 1.377 170 H HN 0.398 nan 8.280 nan 0.000 0.504 171 K N 0.713 121.090 120.400 -0.039 0.000 2.062 171 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 171 K C 1.890 178.320 176.600 -0.283 0.000 1.051 171 K CA 1.111 57.277 56.287 -0.202 0.000 0.941 171 K CB -0.215 32.117 32.500 -0.280 0.000 0.719 171 K HN 0.238 nan 8.250 nan 0.000 0.440 172 I N 0.169 120.691 120.570 -0.081 0.000 2.202 172 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 172 I C 1.978 178.220 176.117 0.210 0.000 1.091 172 I CA 0.943 62.305 61.300 0.102 0.000 1.368 172 I CB -0.296 37.771 38.000 0.110 0.000 1.058 172 I HN 0.150 nan 8.210 nan 0.000 0.410 173 F N 1.517 121.479 119.950 0.019 0.000 2.043 173 F HA -0.333 4.194 4.527 -0.000 0.000 0.297 173 F C 2.300 178.196 175.800 0.160 0.000 1.118 173 F CA 2.031 60.075 58.000 0.073 0.000 1.202 173 F CB -0.753 38.254 39.000 0.012 0.000 0.965 173 F HN -0.017 nan 8.300 nan 0.000 0.482 174 L N 0.268 121.548 121.223 0.096 0.000 2.051 174 L HA -0.296 4.044 4.340 -0.000 0.000 0.214 174 L C 2.436 179.339 176.870 0.056 0.000 1.076 174 L CA 2.331 57.148 54.840 -0.037 0.000 0.758 174 L CB -1.292 40.771 42.059 0.007 0.000 0.890 174 L HN 0.365 nan 8.230 nan 0.000 0.433 175 H N -0.586 118.467 119.070 -0.027 0.000 2.353 175 H HA -0.100 4.456 4.556 -0.000 0.000 0.300 175 H C 2.257 177.456 175.328 -0.215 0.000 1.090 175 H CA 1.418 57.380 56.048 -0.143 0.000 1.327 175 H CB -0.154 29.489 29.762 -0.197 0.000 1.383 175 H HN 0.594 nan 8.280 nan 0.000 0.508 176 I N -0.770 119.794 120.570 -0.011 0.000 2.756 176 I HA -0.177 3.993 4.170 -0.000 0.000 0.262 176 I C 1.618 177.429 176.117 -0.510 0.000 1.225 176 I CA 1.245 62.500 61.300 -0.074 0.000 1.472 176 I CB -0.376 37.719 38.000 0.159 0.000 1.094 176 I HN 0.147 nan 8.210 nan 0.000 0.454 177 H N 2.182 120.804 119.070 -0.746 0.000 2.319 177 H HA -0.048 4.508 4.556 -0.000 0.000 0.299 177 H C 2.390 177.509 175.328 -0.348 0.000 1.092 177 H CA 2.132 57.662 56.048 -0.864 0.000 1.302 177 H CB -0.619 28.820 29.762 -0.538 0.000 1.373 177 H HN 0.500 nan 8.280 nan 0.000 0.497 178 G N -0.570 108.162 108.800 -0.113 0.000 2.848 178 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.208 178 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.208 178 G C 1.404 176.263 174.900 -0.070 0.000 1.152 178 G CA 0.028 45.084 45.100 -0.074 0.000 0.789 178 G HN 0.252 nan 8.290 nan 0.000 0.531 179 L N -0.224 120.958 121.223 -0.069 0.000 2.121 179 L HA 0.364 4.704 4.340 -0.000 0.000 0.200 179 L C 1.309 178.200 176.870 0.035 0.000 1.077 179 L CA 0.852 55.690 54.840 -0.004 0.000 0.766 179 L CB -0.101 42.020 42.059 0.102 0.000 0.931 179 L HN 0.260 nan 8.230 nan 0.000 0.452 180 I N -5.277 115.321 120.570 0.046 0.000 3.108 180 I HA 0.342 4.512 4.170 -0.000 0.000 0.312 180 I C -0.254 175.955 176.117 0.153 0.000 1.095 180 I CA -0.665 60.677 61.300 0.070 0.000 1.000 180 I CB 2.054 40.047 38.000 -0.012 0.000 1.229 180 I HN -0.301 nan 8.210 nan 0.000 0.454 181 S N 2.016 117.801 115.700 0.140 0.000 2.399 181 S HA 0.790 5.260 4.470 -0.000 0.000 0.301 181 S C -0.341 174.325 174.600 0.110 0.000 1.093 181 S CA -0.231 58.046 58.200 0.128 0.000 1.077 181 S CB -0.102 63.139 63.200 0.068 0.000 0.980 181 S HN 0.835 nan 8.310 nan 0.000 0.494 182 A N 3.334 126.196 122.820 0.070 0.000 2.609 182 A HA 0.544 4.864 4.320 -0.000 0.000 0.291 182 A C 0.223 177.672 177.584 -0.224 0.000 1.096 182 A CA -0.621 51.360 52.037 -0.094 0.000 0.684 182 A CB 0.958 19.876 19.000 -0.137 0.000 1.282 182 A HN 0.618 nan 8.150 nan 0.000 0.412 183 D N -0.269 120.030 120.400 -0.167 0.000 2.120 183 D HA 0.071 4.711 4.640 -0.000 0.000 0.202 183 D C 0.631 176.862 176.300 -0.114 0.000 0.972 183 D CA 1.431 55.398 54.000 -0.055 0.000 0.837 183 D CB 0.206 41.056 40.800 0.083 0.000 0.989 183 D HN 0.535 nan 8.370 nan 0.000 0.469 184 R N -1.372 118.978 120.500 -0.251 0.000 2.837 184 R HA 0.531 4.871 4.340 -0.000 0.000 0.271 184 R C -1.186 174.824 176.300 -0.483 0.000 0.993 184 R CA -0.808 55.159 56.100 -0.221 0.000 0.931 184 R CB 1.649 31.884 30.300 -0.107 0.000 1.206 184 R HN 0.021 nan 8.270 nan 0.000 0.474 185 Y N -0.599 119.704 120.300 0.005 0.000 2.633 185 Y HA 0.618 5.168 4.550 -0.000 0.000 0.339 185 Y C 0.149 176.218 175.900 0.282 0.000 1.045 185 Y CA -0.861 57.261 58.100 0.037 0.000 1.098 185 Y CB 2.500 40.807 38.460 -0.254 0.000 1.296 185 Y HN 0.711 nan 8.280 nan 0.000 0.494 186 S N 0.709 116.710 115.700 0.501 0.000 2.607 186 S HA 0.775 5.245 4.470 -0.000 0.000 0.273 186 S C -2.109 172.700 174.600 0.348 0.000 1.148 186 S CA -0.823 57.642 58.200 0.442 0.000 0.833 186 S CB 2.159 65.496 63.200 0.228 0.000 1.130 186 S HN 0.673 nan 8.310 nan 0.000 0.470 187 L N 1.107 122.362 121.223 0.053 0.000 2.409 187 L HA 0.806 5.146 4.340 -0.000 0.000 0.272 187 L C -2.049 174.693 176.870 -0.213 0.000 0.980 187 L CA -0.418 54.446 54.840 0.039 0.000 0.826 187 L CB 1.124 43.230 42.059 0.079 0.000 1.268 187 L HN 0.787 nan 8.230 nan 0.000 0.407 188 F N 4.729 124.685 119.950 0.010 0.000 2.492 188 F HA 0.659 5.186 4.527 -0.000 0.000 0.327 188 F C -0.529 175.255 175.800 -0.026 0.000 1.079 188 F CA -0.614 57.377 58.000 -0.014 0.000 0.967 188 F CB 1.996 41.005 39.000 0.015 0.000 1.169 188 F HN 0.342 nan 8.300 nan 0.000 0.472 189 L N 2.967 124.282 121.223 0.153 0.000 2.325 189 L HA 0.595 4.934 4.340 -0.000 0.000 0.281 189 L C -0.960 175.939 176.870 0.048 0.000 1.004 189 L CA -0.600 54.275 54.840 0.057 0.000 0.823 189 L CB 1.435 43.483 42.059 -0.019 0.000 1.236 189 L HN 0.363 nan 8.230 nan 0.000 0.415 190 V N 4.678 124.619 119.914 0.046 0.000 2.540 190 V HA 0.055 4.175 4.120 -0.000 0.000 0.297 190 V C 0.186 176.195 176.094 -0.141 0.000 1.024 190 V CA 0.103 62.414 62.300 0.018 0.000 1.105 190 V CB 0.194 32.081 31.823 0.106 0.000 0.938 190 V HN 0.881 nan 8.190 nan 0.000 0.482 191 C N 4.539 123.611 119.300 -0.380 0.000 2.595 191 C HA 0.772 5.232 4.460 -0.000 0.000 0.338 191 C C 0.055 174.681 174.990 -0.607 0.000 1.219 191 C CA -0.769 57.910 59.018 -0.565 0.000 1.811 191 C CB 1.499 28.688 27.740 -0.918 0.000 2.313 191 C HN 0.960 nan 8.230 nan 0.000 0.499 192 E N 0.792 120.768 120.200 -0.373 0.000 2.331 192 E HA 0.477 4.827 4.350 -0.000 0.000 0.275 192 E C -1.636 174.931 176.600 -0.055 0.000 0.895 192 E CA -0.276 55.998 56.400 -0.210 0.000 0.753 192 E CB 1.653 31.250 29.700 -0.172 0.000 1.216 192 E HN 0.851 nan 8.360 nan 0.000 0.434 193 D N 0.957 121.399 120.400 0.071 0.000 2.569 193 D HA 0.195 4.834 4.640 -0.000 0.000 0.266 193 D C 0.785 177.120 176.300 0.057 0.000 1.164 193 D CA -0.296 53.770 54.000 0.110 0.000 1.071 193 D CB 0.821 41.741 40.800 0.200 0.000 1.183 193 D HN 0.287 nan 8.370 nan 0.000 0.613 194 S N -0.892 114.844 115.700 0.061 0.000 2.442 194 S HA -0.140 4.330 4.470 -0.000 0.000 0.236 194 S C 1.668 176.290 174.600 0.036 0.000 1.007 194 S CA 0.786 59.016 58.200 0.050 0.000 0.965 194 S CB -0.535 62.703 63.200 0.062 0.000 0.773 194 S HN 0.397 nan 8.310 nan 0.000 0.504 195 S N 1.642 117.363 115.700 0.035 0.000 2.527 195 S HA 0.162 4.632 4.470 -0.000 0.000 0.222 195 S C 0.310 174.914 174.600 0.007 0.000 0.985 195 S CA 0.261 58.474 58.200 0.023 0.000 0.921 195 S CB -0.414 62.799 63.200 0.022 0.000 0.772 195 S HN 0.725 nan 8.310 nan 0.000 0.529 196 N N 0.583 119.284 118.700 0.002 0.000 2.952 196 N HA -0.114 4.626 4.740 -0.000 0.000 0.245 196 N C -1.678 173.800 175.510 -0.054 0.000 1.029 196 N CA 0.552 53.580 53.050 -0.036 0.000 0.870 196 N CB -0.926 37.533 38.487 -0.047 0.000 1.121 196 N HN 0.267 nan 8.380 nan 0.000 0.559 197 D N 1.324 121.729 120.400 0.008 0.000 2.308 197 D HA 0.220 4.860 4.640 -0.000 0.000 0.251 197 D C 0.502 176.864 176.300 0.102 0.000 1.127 197 D CA 0.343 54.367 54.000 0.040 0.000 0.876 197 D CB 0.992 41.846 40.800 0.089 0.000 1.176 197 D HN 0.178 nan 8.370 nan 0.000 0.446 198 K N 1.200 121.593 120.400 -0.013 0.000 2.132 198 K HA 0.709 5.029 4.320 -0.000 0.000 0.241 198 K C -0.450 176.380 176.600 0.383 0.000 1.000 198 K CA -0.755 55.488 56.287 -0.073 0.000 0.911 198 K CB 1.214 33.325 32.500 -0.649 0.000 1.093 198 K HN 0.463 nan 8.250 nan 0.000 0.460 199 F N -1.685 118.395 119.950 0.216 0.000 2.767 199 F HA 0.289 4.816 4.527 -0.000 0.000 0.317 199 F C -1.912 174.022 175.800 0.223 0.000 1.119 199 F CA -1.466 56.687 58.000 0.256 0.000 0.971 199 F CB 0.385 39.471 39.000 0.142 0.000 1.251 199 F HN 0.040 nan 8.300 nan 0.000 0.450 200 L N 4.216 125.642 121.223 0.338 0.000 2.360 200 L HA 0.752 5.092 4.340 -0.000 0.000 0.271 200 L C 0.249 177.342 176.870 0.371 0.000 1.057 200 L CA -0.937 54.048 54.840 0.242 0.000 0.803 200 L CB 1.476 43.621 42.059 0.144 0.000 1.207 200 L HN 0.917 nan 8.230 nan 0.000 0.445 201 I N -1.319 119.445 120.570 0.324 0.000 2.969 201 I HA 0.748 4.918 4.170 -0.000 0.000 0.307 201 I C -0.739 175.447 176.117 0.115 0.000 1.149 201 I CA -0.546 60.922 61.300 0.280 0.000 1.008 201 I CB 2.450 40.562 38.000 0.186 0.000 1.232 201 I HN 0.544 nan 8.210 nan 0.000 0.435 202 S N 2.472 118.101 115.700 -0.117 0.000 2.649 202 S HA 0.510 4.980 4.470 -0.000 0.000 0.274 202 S C -0.203 174.076 174.600 -0.535 0.000 1.176 202 S CA -0.775 57.121 58.200 -0.506 0.000 0.988 202 S CB 1.598 64.081 63.200 -1.196 0.000 1.071 202 S HN 0.851 nan 8.310 nan 0.000 0.478 203 R N 3.658 123.787 120.500 -0.619 0.000 2.427 203 R HA 0.352 4.692 4.340 -0.000 0.000 0.262 203 R C -0.196 175.389 176.300 -1.193 0.000 0.943 203 R CA 0.031 55.615 56.100 -0.860 0.000 1.081 203 R CB 0.161 30.162 30.300 -0.498 0.000 1.166 203 R HN 0.451 nan 8.270 nan 0.000 0.534 204 L N 2.899 123.470 121.223 -1.086 0.000 2.506 204 L HA 0.392 4.732 4.340 -0.000 0.000 0.247 204 L C -1.217 175.110 176.870 -0.904 0.000 1.141 204 L CA -0.745 53.374 54.840 -1.203 0.000 0.973 204 L CB 0.298 41.603 42.059 -1.256 0.000 1.319 204 L HN 0.010 nan 8.230 nan 0.000 0.455 205 F N -1.707 118.016 119.950 -0.378 0.000 2.539 205 F HA 0.555 5.082 4.527 -0.000 0.000 0.318 205 F C -0.120 175.754 175.800 0.123 0.000 1.135 205 F CA -2.625 55.326 58.000 -0.081 0.000 0.915 205 F CB 0.299 39.228 39.000 -0.119 0.000 1.176 205 F HN -0.017 nan 8.300 nan 0.000 0.440 206 D N 2.769 123.498 120.400 0.549 0.000 2.424 206 D HA 0.397 5.037 4.640 -0.000 0.000 0.244 206 D C 0.280 176.639 176.300 0.099 0.000 1.134 206 D CA 0.457 54.684 54.000 0.380 0.000 0.881 206 D CB 1.775 42.765 40.800 0.318 0.000 1.191 206 D HN 0.583 nan 8.370 nan 0.000 0.445 207 V N -0.884 119.053 119.914 0.039 0.000 3.158 207 V HA 0.841 4.961 4.120 -0.000 0.000 0.315 207 V C 0.149 176.217 176.094 -0.043 0.000 1.148 207 V CA -1.364 60.875 62.300 -0.100 0.000 1.042 207 V CB 1.164 32.880 31.823 -0.178 0.000 1.101 207 V HN 0.549 nan 8.190 nan 0.000 0.448 208 A N 0.310 123.096 122.820 -0.056 0.000 2.531 208 A HA 0.200 4.519 4.320 -0.000 0.000 0.236 208 A C 1.250 178.853 177.584 0.031 0.000 1.062 208 A CA 0.617 52.662 52.037 0.013 0.000 0.760 208 A CB -0.196 18.826 19.000 0.037 0.000 0.995 208 A HN 1.084 nan 8.150 nan 0.000 0.501 209 E N 2.077 122.309 120.200 0.053 0.000 2.019 209 E HA -0.219 4.131 4.350 -0.000 0.000 0.208 209 E C 1.221 177.847 176.600 0.043 0.000 1.030 209 E CA 1.806 58.239 56.400 0.054 0.000 0.856 209 E CB -0.203 29.530 29.700 0.056 0.000 0.781 209 E HN 0.781 nan 8.360 nan 0.000 0.471 210 G N 0.130 108.951 108.800 0.036 0.000 4.464 210 G HA2 0.204 4.164 3.960 -0.000 0.000 0.297 210 G HA3 0.204 4.164 3.960 -0.000 0.000 0.297 210 G C 0.292 175.206 174.900 0.022 0.000 1.342 210 G CA 0.346 45.464 45.100 0.030 0.000 1.335 210 G HN 0.241 nan 8.290 nan 0.000 0.609 211 S N -0.434 115.277 115.700 0.018 0.000 2.631 211 S HA 0.193 4.663 4.470 -0.000 0.000 0.246 211 S C 0.965 175.567 174.600 0.002 0.000 1.068 211 S CA 0.638 58.842 58.200 0.007 0.000 0.995 211 S CB 0.576 63.774 63.200 -0.002 0.000 0.944 211 S HN 0.387 nan 8.310 nan 0.000 0.529 212 T N 0.727 115.287 114.554 0.010 0.000 2.936 212 T HA 0.605 4.955 4.350 -0.000 0.000 0.282 212 T C 0.750 175.465 174.700 0.025 0.000 1.003 212 T CA -0.353 61.754 62.100 0.012 0.000 1.005 212 T CB 1.205 70.088 68.868 0.025 0.000 1.097 212 T HN 0.264 nan 8.240 nan 0.000 0.532 213 L N 1.328 122.570 121.223 0.032 0.000 2.042 213 L HA 0.504 4.844 4.340 -0.000 0.000 0.204 213 L C 0.795 177.688 176.870 0.039 0.000 1.130 213 L CA 0.886 55.745 54.840 0.032 0.000 0.779 213 L CB -0.211 41.867 42.059 0.031 0.000 0.918 213 L HN 0.591 nan 8.230 nan 0.000 0.450 214 E N -0.579 119.651 120.200 0.049 0.000 2.285 214 E HA 0.149 4.498 4.350 -0.000 0.000 0.254 214 E C 0.739 177.395 176.600 0.095 0.000 1.011 214 E CA -0.376 56.059 56.400 0.059 0.000 0.873 214 E CB 1.193 30.920 29.700 0.044 0.000 1.229 214 E HN 0.197 nan 8.360 nan 0.000 0.422 215 E N 0.020 120.284 120.200 0.106 0.000 2.004 215 E HA -0.045 4.304 4.350 -0.000 0.000 0.192 215 E C 0.385 177.098 176.600 0.188 0.000 0.987 215 E CA 0.632 57.134 56.400 0.170 0.000 0.822 215 E CB -0.090 29.698 29.700 0.146 0.000 0.779 215 E HN 0.134 nan 8.360 nan 0.000 0.458 216 V N 2.879 122.828 119.914 0.059 0.000 2.516 216 V HA -0.086 4.034 4.120 -0.000 0.000 0.240 216 V C 0.489 176.619 176.094 0.060 0.000 1.084 216 V CA 0.937 63.250 62.300 0.021 0.000 1.254 216 V CB -1.077 30.742 31.823 -0.007 0.000 1.224 216 V HN 0.265 nan 8.190 nan 0.000 0.480 217 S N 2.226 117.987 115.700 0.101 0.000 2.667 217 S HA 0.217 4.687 4.470 -0.000 0.000 0.251 217 S C 0.586 175.221 174.600 0.059 0.000 1.075 217 S CA -0.144 58.100 58.200 0.074 0.000 1.130 217 S CB -0.900 62.347 63.200 0.080 0.000 0.795 217 S HN 0.881 nan 8.310 nan 0.000 0.462 218 N N 0.136 118.861 118.700 0.041 0.000 2.994 218 N HA -0.143 4.597 4.740 -0.000 0.000 0.246 218 N C -1.130 174.398 175.510 0.030 0.000 1.061 218 N CA 0.426 53.491 53.050 0.025 0.000 0.845 218 N CB -1.385 37.115 38.487 0.022 0.000 1.119 218 N HN 0.676 nan 8.380 nan 0.000 0.551 219 N N 0.018 118.746 118.700 0.047 0.000 2.336 219 N HA 0.608 5.348 4.740 -0.000 0.000 0.290 219 N C -1.814 173.749 175.510 0.088 0.000 1.058 219 N CA -0.443 52.665 53.050 0.097 0.000 0.865 219 N CB 2.261 40.850 38.487 0.170 0.000 1.581 219 N HN 0.138 nan 8.380 nan 0.000 0.480 220 C N 5.038 124.390 119.300 0.087 0.000 2.789 220 C HA 0.426 4.886 4.460 -0.000 0.000 0.367 220 C C -0.512 174.526 174.990 0.080 0.000 1.062 220 C CA -0.582 58.446 59.018 0.016 0.000 1.297 220 C CB -0.860 26.875 27.740 -0.008 0.000 1.794 220 C HN 0.697 nan 8.230 nan 0.000 0.474 221 I N 4.936 125.574 120.570 0.113 0.000 2.754 221 I HA 0.338 4.508 4.170 -0.000 0.000 0.285 221 I C 0.562 176.797 176.117 0.196 0.000 1.166 221 I CA 0.602 62.012 61.300 0.183 0.000 1.417 221 I CB 0.496 38.670 38.000 0.289 0.000 1.382 221 I HN 0.615 nan 8.210 nan 0.000 0.588 222 R N 6.722 127.335 120.500 0.188 0.000 2.518 222 R HA 0.502 4.842 4.340 -0.000 0.000 0.287 222 R C -2.082 174.311 176.300 0.155 0.000 1.135 222 R CA -0.612 55.608 56.100 0.199 0.000 0.967 222 R CB 1.098 31.469 30.300 0.118 0.000 1.212 222 R HN 0.586 nan 8.270 nan 0.000 0.422 223 L N 2.991 124.326 121.223 0.186 0.000 2.329 223 L HA 0.521 4.861 4.340 -0.000 0.000 0.279 223 L C 0.313 177.280 176.870 0.162 0.000 1.014 223 L CA -1.198 53.706 54.840 0.106 0.000 0.814 223 L CB 1.596 43.659 42.059 0.007 0.000 1.257 223 L HN 0.418 nan 8.230 nan 0.000 0.424 224 E N 0.942 121.214 120.200 0.120 0.000 2.391 224 E HA -0.079 4.271 4.350 -0.000 0.000 0.255 224 E C 0.506 177.230 176.600 0.206 0.000 1.187 224 E CA -0.182 56.328 56.400 0.184 0.000 0.941 224 E CB 0.644 30.414 29.700 0.117 0.000 1.010 224 E HN 0.727 nan 8.360 nan 0.000 0.458 225 W N 1.469 122.815 121.300 0.078 0.000 2.358 225 W HA -0.190 4.470 4.660 -0.000 0.000 0.303 225 W C 0.604 177.145 176.519 0.037 0.000 1.208 225 W CA 1.530 58.911 57.345 0.061 0.000 1.274 225 W CB 0.277 29.770 29.460 0.055 0.000 1.138 225 W HN 0.430 nan 8.180 nan 0.000 0.515 226 N N 0.840 119.498 118.700 -0.070 0.000 2.599 226 N HA 0.112 4.852 4.740 -0.000 0.000 0.309 226 N C -1.564 173.922 175.510 -0.040 0.000 1.743 226 N CA -0.030 52.924 53.050 -0.160 0.000 0.918 226 N CB -0.094 38.372 38.487 -0.035 0.000 1.339 226 N HN -0.223 nan 8.380 nan 0.000 0.493 227 K N 0.284 120.645 120.400 -0.065 0.000 2.513 227 K HA 0.645 4.965 4.320 -0.000 0.000 0.251 227 K C -0.140 176.418 176.600 -0.071 0.000 0.939 227 K CA -0.593 55.667 56.287 -0.046 0.000 0.793 227 K CB 1.879 34.370 32.500 -0.016 0.000 1.241 227 K HN 0.341 nan 8.250 nan 0.000 0.431 228 G N 1.657 110.415 108.800 -0.068 0.000 2.781 228 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.683 228 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.683 228 G C 0.744 175.607 174.900 -0.061 0.000 1.390 228 G CA -0.381 44.678 45.100 -0.070 0.000 0.850 228 G HN 0.551 nan 8.290 nan 0.000 0.557 229 I N 0.473 121.024 120.570 -0.031 0.000 2.091 229 I HA -0.246 3.924 4.170 -0.000 0.000 0.239 229 I C 3.097 179.177 176.117 -0.061 0.000 1.061 229 I CA 2.638 63.935 61.300 -0.005 0.000 1.317 229 I CB -0.687 37.343 38.000 0.050 0.000 1.031 229 I HN 0.892 nan 8.210 nan 0.000 0.401 230 V N 0.148 119.968 119.914 -0.156 0.000 2.407 230 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 230 V C 2.317 178.235 176.094 -0.292 0.000 1.055 230 V CA 2.005 64.144 62.300 -0.268 0.000 1.049 230 V CB -1.650 29.837 31.823 -0.560 0.000 0.662 230 V HN 0.467 nan 8.190 nan 0.000 0.455 231 G N -0.466 108.175 108.800 -0.265 0.000 2.505 231 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.220 231 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.220 231 G C 1.535 176.240 174.900 -0.325 0.000 1.145 231 G CA 1.577 46.510 45.100 -0.278 0.000 0.761 231 G HN 0.775 nan 8.290 nan 0.000 0.571 232 H N -0.755 118.143 119.070 -0.286 0.000 2.465 232 H HA 0.216 4.772 4.556 -0.000 0.000 0.289 232 H C 2.518 177.702 175.328 -0.240 0.000 1.022 232 H CA 0.809 56.708 56.048 -0.249 0.000 1.340 232 H CB 0.041 29.715 29.762 -0.148 0.000 1.437 232 H HN 0.098 nan 8.280 nan 0.000 0.539 233 V N 0.951 120.745 119.914 -0.201 0.000 2.255 233 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 233 V C 2.706 178.626 176.094 -0.290 0.000 1.051 233 V CA 1.798 63.965 62.300 -0.220 0.000 1.018 233 V CB -1.339 30.407 31.823 -0.127 0.000 0.641 233 V HN 0.680 nan 8.190 nan 0.000 0.445 234 A N 0.123 122.725 122.820 -0.363 0.000 1.896 234 A HA -0.320 4.000 4.320 -0.000 0.000 0.220 234 A C 2.377 179.632 177.584 -0.549 0.000 1.206 234 A CA 2.976 54.723 52.037 -0.483 0.000 0.647 234 A CB -1.059 17.482 19.000 -0.764 0.000 0.828 234 A HN 0.685 nan 8.150 nan 0.000 0.455 235 A N -1.360 121.016 122.820 -0.739 0.000 2.014 235 A HA 0.169 4.489 4.320 -0.000 0.000 0.218 235 A C 2.104 179.557 177.584 -0.218 0.000 1.163 235 A CA 1.393 53.113 52.037 -0.529 0.000 0.652 235 A CB -0.321 18.337 19.000 -0.571 0.000 0.808 235 A HN 0.482 nan 8.150 nan 0.000 0.449 236 L N -2.438 118.597 121.223 -0.313 0.000 2.286 236 L HA 0.234 4.574 4.340 -0.000 0.000 0.203 236 L C 1.825 178.614 176.870 -0.134 0.000 1.068 236 L CA 0.930 55.636 54.840 -0.222 0.000 0.811 236 L CB -0.415 41.454 42.059 -0.315 0.000 0.989 236 L HN 0.561 nan 8.230 nan 0.000 0.467 237 G N 0.506 109.217 108.800 -0.148 0.000 2.141 237 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.231 237 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.231 237 G C -0.051 174.800 174.900 -0.083 0.000 0.984 237 G CA -0.280 44.764 45.100 -0.094 0.000 0.660 237 G HN 0.277 nan 8.290 nan 0.000 0.525 238 E N 1.098 121.240 120.200 -0.097 0.000 2.179 238 E HA 0.468 4.818 4.350 -0.000 0.000 0.275 238 E C -2.244 174.325 176.600 -0.051 0.000 0.945 238 E CA -1.888 54.474 56.400 -0.064 0.000 0.792 238 E CB 2.153 31.820 29.700 -0.055 0.000 1.125 238 E HN 0.239 nan 8.360 nan 0.000 0.397 239 P HA 0.143 nan 4.420 nan 0.000 0.269 239 P C -0.431 176.873 177.300 0.007 0.000 1.215 239 P CA -0.073 63.025 63.100 -0.002 0.000 0.780 239 P CB 0.848 32.558 31.700 0.016 0.000 0.898 240 L N 2.418 123.652 121.223 0.019 0.000 2.356 240 L HA 0.409 4.749 4.340 -0.000 0.000 0.277 240 L C 0.503 177.393 176.870 0.033 0.000 0.996 240 L CA -0.398 54.459 54.840 0.027 0.000 0.822 240 L CB 1.687 43.765 42.059 0.032 0.000 1.256 240 L HN 0.424 nan 8.230 nan 0.000 0.413 241 N N 4.876 123.601 118.700 0.043 0.000 2.800 241 N HA 0.357 5.097 4.740 -0.000 0.000 0.240 241 N C -0.670 174.887 175.510 0.078 0.000 1.096 241 N CA -0.567 52.525 53.050 0.068 0.000 0.877 241 N CB 0.656 39.189 38.487 0.076 0.000 1.138 241 N HN 0.443 nan 8.380 nan 0.000 0.509 242 I N 0.488 121.104 120.570 0.077 0.000 2.440 242 I HA 0.265 4.435 4.170 -0.000 0.000 0.294 242 I C 0.488 176.637 176.117 0.053 0.000 0.995 242 I CA -0.612 60.715 61.300 0.045 0.000 1.306 242 I CB 1.736 39.737 38.000 0.001 0.000 1.407 242 I HN 0.416 nan 8.210 nan 0.000 0.501 243 K N 1.621 122.032 120.400 0.017 0.000 2.323 243 K HA 0.151 4.471 4.320 -0.000 0.000 0.197 243 K C -0.134 176.449 176.600 -0.028 0.000 1.043 243 K CA 0.247 56.529 56.287 -0.007 0.000 0.997 243 K CB 0.314 32.806 32.500 -0.013 0.000 0.807 243 K HN 0.585 nan 8.250 nan 0.000 0.497 244 D N 0.012 120.394 120.400 -0.031 0.000 2.476 244 D HA 0.287 4.927 4.640 -0.000 0.000 0.251 244 D C 0.233 176.469 176.300 -0.108 0.000 1.291 244 D CA -0.334 53.644 54.000 -0.038 0.000 0.939 244 D CB 1.767 42.567 40.800 0.000 0.000 1.221 244 D HN 0.039 nan 8.370 nan 0.000 0.567 245 A N 3.348 126.007 122.820 -0.268 0.000 1.978 245 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 245 A C 1.460 178.671 177.584 -0.621 0.000 1.170 245 A CA 1.297 52.928 52.037 -0.677 0.000 0.636 245 A CB -0.652 17.456 19.000 -1.487 0.000 0.810 245 A HN 0.700 nan 8.150 nan 0.000 0.448 246 Y N -0.010 120.096 120.300 -0.323 0.000 2.439 246 Y HA -0.077 4.473 4.550 -0.000 0.000 0.292 246 Y C 2.262 178.161 175.900 -0.001 0.000 1.130 246 Y CA 1.235 59.301 58.100 -0.056 0.000 1.254 246 Y CB 0.172 38.628 38.460 -0.007 0.000 1.000 246 Y HN 0.276 nan 8.280 nan 0.000 0.554 247 E N -0.062 120.180 120.200 0.071 0.000 2.347 247 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 247 E C 0.056 176.670 176.600 0.023 0.000 1.008 247 E CA 0.476 56.903 56.400 0.045 0.000 0.852 247 E CB -0.228 29.486 29.700 0.023 0.000 0.783 247 E HN 0.386 nan 8.360 nan 0.000 0.505 248 D N 1.432 121.829 120.400 -0.004 0.000 2.343 248 D HA 0.022 4.662 4.640 -0.000 0.000 0.255 248 D C -1.584 174.746 176.300 0.050 0.000 1.187 248 D CA -1.746 52.261 54.000 0.011 0.000 0.875 248 D CB 1.559 42.355 40.800 -0.006 0.000 1.136 248 D HN -0.102 nan 8.370 nan 0.000 0.469 249 P HA -0.041 nan 4.420 nan 0.000 0.231 249 P C 0.882 178.181 177.300 -0.003 0.000 1.158 249 P CA 0.636 63.740 63.100 0.007 0.000 0.763 249 P CB 0.504 32.191 31.700 -0.022 0.000 0.805 250 R N -2.442 118.064 120.500 0.009 0.000 2.419 250 R HA 0.211 4.551 4.340 -0.000 0.000 0.235 250 R C 0.556 176.878 176.300 0.036 0.000 0.899 250 R CA -0.517 55.573 56.100 -0.017 0.000 1.048 250 R CB 0.007 30.265 30.300 -0.069 0.000 1.182 250 R HN 0.112 nan 8.270 nan 0.000 0.544 251 F N 2.805 122.697 119.950 -0.096 0.000 2.612 251 F HA -0.089 4.438 4.527 -0.000 0.000 0.389 251 F C 0.475 176.206 175.800 -0.115 0.000 1.055 251 F CA 0.617 58.544 58.000 -0.121 0.000 1.232 251 F CB 0.292 39.179 39.000 -0.188 0.000 1.044 251 F HN -0.011 nan 8.300 nan 0.000 0.560 252 N N 5.219 123.527 118.700 -0.654 0.000 2.457 252 N HA 0.357 5.097 4.740 -0.000 0.000 0.250 252 N C 0.037 174.913 175.510 -1.056 0.000 0.982 252 N CA -0.088 52.582 53.050 -0.635 0.000 0.941 252 N CB 1.417 39.704 38.487 -0.333 0.000 1.120 252 N HN 0.785 nan 8.380 nan 0.000 0.505 253 A N 3.585 125.937 122.820 -0.780 0.000 2.275 253 A HA 0.057 4.377 4.320 -0.000 0.000 0.212 253 A C 1.587 179.047 177.584 -0.207 0.000 1.201 253 A CA 0.173 51.861 52.037 -0.583 0.000 0.843 253 A CB -0.037 18.847 19.000 -0.192 0.000 0.873 253 A HN 0.839 nan 8.150 nan 0.000 0.492 254 E N 0.120 120.205 120.200 -0.192 0.000 2.038 254 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 254 E C 1.925 178.495 176.600 -0.049 0.000 1.000 254 E CA 1.650 58.000 56.400 -0.083 0.000 0.803 254 E CB -0.365 29.288 29.700 -0.080 0.000 0.750 254 E HN 0.437 nan 8.360 nan 0.000 0.448 255 V N 1.982 121.851 119.914 -0.075 0.000 2.282 255 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 255 V C 1.872 177.990 176.094 0.040 0.000 1.057 255 V CA 2.160 64.444 62.300 -0.028 0.000 1.032 255 V CB -0.632 31.168 31.823 -0.039 0.000 0.645 255 V HN 0.160 nan 8.190 nan 0.000 0.447 256 D N -0.295 120.154 120.400 0.083 0.000 2.104 256 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 256 D C 2.423 178.820 176.300 0.161 0.000 0.994 256 D CA 1.568 55.695 54.000 0.212 0.000 0.830 256 D CB -0.264 40.734 40.800 0.331 0.000 0.959 256 D HN 0.576 nan 8.370 nan 0.000 0.452 257 Q N -0.319 119.549 119.800 0.113 0.000 2.050 257 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 257 Q C 2.273 178.309 176.000 0.060 0.000 0.980 257 Q CA 0.727 56.582 55.803 0.087 0.000 0.840 257 Q CB -0.066 28.711 28.738 0.066 0.000 0.898 257 Q HN 0.254 nan 8.270 nan 0.000 0.424 258 I N 0.238 120.833 120.570 0.042 0.000 2.756 258 I HA -0.182 3.988 4.170 -0.000 0.000 0.262 258 I C 1.795 177.932 176.117 0.033 0.000 1.225 258 I CA 1.421 62.736 61.300 0.026 0.000 1.472 258 I CB 0.167 38.172 38.000 0.008 0.000 1.094 258 I HN 0.319 nan 8.210 nan 0.000 0.454 259 T N -4.611 109.977 114.554 0.058 0.000 3.087 259 T HA 0.358 4.708 4.350 -0.000 0.000 0.283 259 T C 1.377 176.136 174.700 0.099 0.000 0.956 259 T CA 0.295 62.434 62.100 0.066 0.000 0.894 259 T CB 0.538 69.441 68.868 0.057 0.000 1.160 259 T HN 0.313 nan 8.240 nan 0.000 0.532 260 G N 0.902 109.762 108.800 0.100 0.000 2.162 260 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 260 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 260 G C -0.159 174.802 174.900 0.101 0.000 0.976 260 G CA 0.248 45.397 45.100 0.082 0.000 0.655 260 G HN 0.761 nan 8.290 nan 0.000 0.533 261 Y N 0.647 120.978 120.300 0.053 0.000 2.304 261 Y HA 0.581 5.131 4.550 -0.000 0.000 0.327 261 Y C 0.460 176.424 175.900 0.107 0.000 1.209 261 Y CA -0.397 57.743 58.100 0.067 0.000 1.299 261 Y CB 1.085 39.584 38.460 0.066 0.000 1.249 261 Y HN 0.045 nan 8.280 nan 0.000 0.519 262 K N 3.320 123.386 120.400 -0.558 0.000 2.449 262 K HA 0.314 4.634 4.320 -0.000 0.000 0.257 262 K C -1.285 175.221 176.600 -0.156 0.000 0.989 262 K CA -0.362 55.803 56.287 -0.203 0.000 0.916 262 K CB 0.654 33.037 32.500 -0.196 0.000 1.136 262 K HN 0.624 nan 8.250 nan 0.000 0.439 263 T N 4.011 118.731 114.554 0.277 0.000 2.749 263 T HA 0.150 4.500 4.350 -0.000 0.000 0.295 263 T C 0.525 175.315 174.700 0.150 0.000 0.936 263 T CA -0.236 62.044 62.100 0.301 0.000 1.060 263 T CB 1.377 70.470 68.868 0.376 0.000 0.904 263 T HN 0.617 nan 8.240 nan 0.000 0.500 264 Q N 2.190 122.022 119.800 0.054 0.000 2.514 264 Q HA 0.183 4.523 4.340 -0.000 0.000 0.191 264 Q C 0.740 176.715 176.000 -0.040 0.000 0.968 264 Q CA -0.056 55.745 55.803 -0.002 0.000 0.852 264 Q CB 0.460 29.172 28.738 -0.043 0.000 1.051 264 Q HN 0.745 nan 8.270 nan 0.000 0.604 265 S N 0.170 115.853 115.700 -0.028 0.000 2.541 265 S HA 0.620 5.090 4.470 -0.000 0.000 0.283 265 S C -0.346 174.363 174.600 0.181 0.000 1.196 265 S CA -0.766 57.444 58.200 0.017 0.000 1.062 265 S CB 1.102 64.235 63.200 -0.113 0.000 1.009 265 S HN 0.293 nan 8.310 nan 0.000 0.502 266 I N 2.506 123.203 120.570 0.212 0.000 2.466 266 I HA 0.342 4.512 4.170 -0.000 0.000 0.289 266 I C -1.285 174.911 176.117 0.132 0.000 1.026 266 I CA -0.923 60.495 61.300 0.197 0.000 1.078 266 I CB 1.948 39.995 38.000 0.079 0.000 1.249 266 I HN 0.483 nan 8.210 nan 0.000 0.429 267 L N 7.426 128.557 121.223 -0.154 0.000 2.277 267 L HA 0.462 4.802 4.340 -0.000 0.000 0.284 267 L C -0.752 176.084 176.870 -0.055 0.000 1.028 267 L CA -0.221 54.425 54.840 -0.324 0.000 0.835 267 L CB 0.986 42.428 42.059 -1.028 0.000 1.215 267 L HN 0.763 nan 8.230 nan 0.000 0.425 268 C N 7.502 126.830 119.300 0.046 0.000 2.321 268 C HA 0.699 5.159 4.460 -0.000 0.000 0.323 268 C C -0.546 174.497 174.990 0.089 0.000 1.191 268 C CA -0.771 58.310 59.018 0.105 0.000 1.455 268 C CB -0.099 27.679 27.740 0.064 0.000 2.083 268 C HN 0.808 nan 8.230 nan 0.000 0.442 269 M N 8.795 128.465 119.600 0.117 0.000 2.197 269 M HA 0.392 4.872 4.480 -0.000 0.000 0.301 269 M C -2.450 173.824 176.300 -0.044 0.000 0.987 269 M CA -1.557 53.764 55.300 0.034 0.000 0.921 269 M CB 2.303 34.939 32.600 0.060 0.000 1.569 269 M HN 0.477 nan 8.290 nan 0.000 0.431 270 P HA 0.226 nan 4.420 nan 0.000 0.271 270 P C -0.929 176.320 177.300 -0.084 0.000 1.216 270 P CA 0.127 63.187 63.100 -0.067 0.000 0.771 270 P CB 0.508 32.166 31.700 -0.071 0.000 0.864 271 I N 3.676 124.202 120.570 -0.073 0.000 2.312 271 I HA 0.286 4.456 4.170 -0.000 0.000 0.290 271 I C 0.836 176.915 176.117 -0.065 0.000 1.008 271 I CA -0.411 60.837 61.300 -0.087 0.000 1.226 271 I CB 0.753 38.705 38.000 -0.079 0.000 1.371 271 I HN 0.092 nan 8.210 nan 0.000 0.468 272 K N 4.951 125.301 120.400 -0.083 0.000 2.203 272 K HA 0.439 4.759 4.320 -0.000 0.000 0.251 272 K C -0.656 175.890 176.600 -0.090 0.000 0.944 272 K CA -1.004 55.233 56.287 -0.082 0.000 0.829 272 K CB 1.713 34.159 32.500 -0.089 0.000 1.125 272 K HN 0.553 nan 8.250 nan 0.000 0.430 273 N N 0.170 118.801 118.700 -0.115 0.000 2.405 273 N HA -0.010 4.730 4.740 -0.000 0.000 0.269 273 N C 0.926 176.339 175.510 -0.162 0.000 1.249 273 N CA -0.053 52.924 53.050 -0.120 0.000 0.974 273 N CB 0.028 38.348 38.487 -0.279 0.000 1.204 273 N HN 0.705 nan 8.380 nan 0.000 0.565 274 H N -1.516 117.462 119.070 -0.153 0.000 2.421 274 H HA 0.085 4.641 4.556 -0.000 0.000 0.298 274 H C 0.782 176.044 175.328 -0.110 0.000 1.087 274 H CA 1.099 57.079 56.048 -0.113 0.000 1.330 274 H CB -0.133 29.584 29.762 -0.075 0.000 1.388 274 H HN 0.539 nan 8.280 nan 0.000 0.526 275 R N 0.801 120.793 120.500 -0.847 0.000 2.328 275 R HA 0.058 4.398 4.340 -0.000 0.000 0.200 275 R C -0.021 176.108 176.300 -0.284 0.000 0.983 275 R CA 0.670 56.465 56.100 -0.507 0.000 1.062 275 R CB -0.120 29.860 30.300 -0.532 0.000 0.956 275 R HN 0.477 nan 8.270 nan 0.000 0.479 276 E N -0.190 119.868 120.200 -0.237 0.000 3.181 276 E HA -0.201 4.149 4.350 -0.000 0.000 0.293 276 E C -0.899 175.627 176.600 -0.124 0.000 0.936 276 E CA 0.536 56.848 56.400 -0.147 0.000 0.975 276 E CB -0.871 28.763 29.700 -0.109 0.000 1.496 276 E HN 0.516 nan 8.360 nan 0.000 0.429 277 E N 0.053 120.157 120.200 -0.159 0.000 2.343 277 E HA 0.314 4.664 4.350 -0.000 0.000 0.269 277 E C -0.261 176.304 176.600 -0.058 0.000 1.047 277 E CA -0.412 55.927 56.400 -0.102 0.000 0.874 277 E CB 1.461 31.076 29.700 -0.141 0.000 1.033 277 E HN -0.088 nan 8.360 nan 0.000 0.409 278 V N 3.527 123.454 119.914 0.022 0.000 2.461 278 V HA 0.029 4.149 4.120 -0.000 0.000 0.275 278 V C 0.900 177.038 176.094 0.074 0.000 1.047 278 V CA -0.016 62.316 62.300 0.054 0.000 0.955 278 V CB 1.019 32.913 31.823 0.119 0.000 0.988 278 V HN 0.673 nan 8.190 nan 0.000 0.471 279 V N 1.688 121.626 119.914 0.040 0.000 3.502 279 V HA 0.795 4.915 4.120 -0.000 0.000 0.288 279 V C 0.587 176.708 176.094 0.044 0.000 1.461 279 V CA 0.742 63.071 62.300 0.048 0.000 1.029 279 V CB 0.139 31.995 31.823 0.055 0.000 0.843 279 V HN 0.951 nan 8.190 nan 0.000 0.438 280 G N -0.655 108.167 108.800 0.038 0.000 2.489 280 G HA2 0.589 4.549 3.960 -0.000 0.000 0.305 280 G HA3 0.589 4.549 3.960 -0.000 0.000 0.305 280 G C -1.986 172.936 174.900 0.036 0.000 1.311 280 G CA -0.039 45.092 45.100 0.051 0.000 0.813 280 G HN 0.473 nan 8.290 nan 0.000 0.480 281 V N -0.236 119.728 119.914 0.083 0.000 2.777 281 V HA 0.786 4.906 4.120 -0.000 0.000 0.306 281 V C -0.140 176.053 176.094 0.165 0.000 1.112 281 V CA -0.223 62.118 62.300 0.069 0.000 0.917 281 V CB 1.449 33.280 31.823 0.013 0.000 1.018 281 V HN 1.705 nan 8.190 nan 0.000 0.426 282 A N 4.457 127.334 122.820 0.096 0.000 2.371 282 A HA 0.940 5.260 4.320 -0.000 0.000 0.311 282 A C -0.774 177.010 177.584 0.332 0.000 1.068 282 A CA -0.627 51.520 52.037 0.184 0.000 0.744 282 A CB 1.824 20.820 19.000 -0.007 0.000 1.239 282 A HN 0.949 nan 8.150 nan 0.000 0.435 283 Q N 0.957 121.026 119.800 0.448 0.000 2.359 283 Q HA 0.793 5.133 4.340 -0.000 0.000 0.274 283 Q C -0.865 175.301 176.000 0.277 0.000 1.074 283 Q CA -0.895 55.130 55.803 0.371 0.000 0.810 283 Q CB 2.246 31.135 28.738 0.252 0.000 1.342 283 Q HN 1.080 nan 8.270 nan 0.000 0.427 284 A N 2.887 125.697 122.820 -0.017 0.000 2.318 284 A HA 0.702 5.022 4.320 -0.000 0.000 0.324 284 A C -0.987 176.581 177.584 -0.026 0.000 1.170 284 A CA -0.739 51.181 52.037 -0.196 0.000 0.810 284 A CB 0.583 19.284 19.000 -0.499 0.000 1.198 284 A HN 0.688 nan 8.150 nan 0.000 0.484 285 I N 2.453 123.015 120.570 -0.012 0.000 2.354 285 I HA 0.335 4.505 4.170 -0.000 0.000 0.292 285 I C -0.521 175.662 176.117 0.110 0.000 0.989 285 I CA -0.051 61.321 61.300 0.121 0.000 1.188 285 I CB 1.109 39.171 38.000 0.104 0.000 1.342 285 I HN 0.670 nan 8.210 nan 0.000 0.457 286 N N 3.861 122.626 118.700 0.108 0.000 2.556 286 N HA -0.172 4.568 4.740 -0.000 0.000 0.276 286 N C -0.373 175.029 175.510 -0.181 0.000 1.259 286 N CA 0.154 53.175 53.050 -0.049 0.000 0.654 286 N CB -0.539 37.977 38.487 0.050 0.000 0.889 286 N HN 0.550 nan 8.380 nan 0.000 0.547 287 K N 2.051 122.117 120.400 -0.557 0.000 2.405 287 K HA -0.037 4.283 4.320 -0.000 0.000 0.273 287 K C 0.134 176.580 176.600 -0.258 0.000 1.116 287 K CA 0.326 56.264 56.287 -0.582 0.000 1.155 287 K CB 0.288 32.210 32.500 -0.963 0.000 0.858 287 K HN 0.216 nan 8.250 nan 0.000 0.477 288 K N 2.466 122.788 120.400 -0.130 0.000 2.569 288 K HA -0.050 4.270 4.320 -0.000 0.000 0.280 288 K C -0.590 175.959 176.600 -0.085 0.000 0.984 288 K CA 0.821 57.064 56.287 -0.073 0.000 1.064 288 K CB 0.324 32.812 32.500 -0.019 0.000 0.866 288 K HN 0.542 nan 8.250 nan 0.000 0.492 289 S N 0.477 116.136 115.700 -0.068 0.000 2.582 289 S HA 0.255 4.725 4.470 -0.000 0.000 0.296 289 S C 0.205 174.775 174.600 -0.051 0.000 1.118 289 S CA -0.423 57.735 58.200 -0.071 0.000 0.947 289 S CB 1.271 64.408 63.200 -0.104 0.000 1.131 289 S HN 0.770 nan 8.310 nan 0.000 0.453 290 G N 2.151 110.928 108.800 -0.039 0.000 2.985 290 G HA2 0.142 4.102 3.960 -0.000 0.000 0.209 290 G HA3 0.142 4.102 3.960 -0.000 0.000 0.209 290 G C 0.424 175.303 174.900 -0.034 0.000 1.165 290 G CA 0.316 45.397 45.100 -0.032 0.000 0.776 290 G HN 0.820 nan 8.290 nan 0.000 0.541 291 N N -3.016 115.658 118.700 -0.043 0.000 2.193 291 N HA 0.288 5.028 4.740 -0.000 0.000 0.236 291 N C 0.810 176.288 175.510 -0.053 0.000 1.347 291 N CA 0.146 53.171 53.050 -0.042 0.000 0.812 291 N CB 0.370 38.836 38.487 -0.034 0.000 1.297 291 N HN 0.196 nan 8.380 nan 0.000 0.499 292 G N -0.754 108.006 108.800 -0.067 0.000 2.303 292 G HA2 0.013 3.973 3.960 -0.000 0.000 0.260 292 G HA3 0.013 3.973 3.960 -0.000 0.000 0.260 292 G C 0.185 175.028 174.900 -0.095 0.000 1.106 292 G CA -0.286 44.767 45.100 -0.078 0.000 0.900 292 G HN 0.727 nan 8.290 nan 0.000 0.495 293 G N -1.333 107.395 108.800 -0.119 0.000 2.552 293 G HA2 0.791 4.751 3.960 -0.000 0.000 0.324 293 G HA3 0.791 4.751 3.960 -0.000 0.000 0.324 293 G C 0.248 175.031 174.900 -0.194 0.000 1.217 293 G CA 0.405 45.429 45.100 -0.127 0.000 0.989 293 G HN 0.412 nan 8.290 nan 0.000 0.490 294 T N -0.677 113.776 114.554 -0.167 0.000 2.924 294 T HA 0.492 4.842 4.350 -0.000 0.000 0.301 294 T C -0.841 173.695 174.700 -0.274 0.000 1.120 294 T CA 0.016 61.991 62.100 -0.209 0.000 0.940 294 T CB 0.300 69.124 68.868 -0.073 0.000 1.591 294 T HN 0.136 nan 8.240 nan 0.000 0.578 295 F N 1.589 121.519 119.950 -0.033 0.000 2.408 295 F HA 0.350 4.877 4.527 -0.000 0.000 0.344 295 F C 1.124 176.913 175.800 -0.019 0.000 1.112 295 F CA -0.737 57.241 58.000 -0.037 0.000 1.096 295 F CB 0.788 39.760 39.000 -0.048 0.000 1.129 295 F HN 0.339 nan 8.300 nan 0.000 0.486 296 T N 2.973 117.645 114.554 0.197 0.000 2.900 296 T HA -0.002 4.348 4.350 -0.000 0.000 0.307 296 T C 1.478 176.238 174.700 0.100 0.000 1.065 296 T CA -0.389 61.776 62.100 0.109 0.000 1.105 296 T CB 0.711 69.629 68.868 0.084 0.000 0.979 296 T HN 0.650 nan 8.240 nan 0.000 0.544 297 E N 1.122 121.364 120.200 0.071 0.000 2.136 297 E HA -0.257 4.093 4.350 -0.000 0.000 0.202 297 E C 2.172 178.809 176.600 0.062 0.000 1.019 297 E CA 1.396 57.831 56.400 0.059 0.000 0.819 297 E CB -0.008 29.718 29.700 0.044 0.000 0.739 297 E HN 0.499 nan 8.360 nan 0.000 0.458 298 K N 0.690 121.126 120.400 0.061 0.000 2.002 298 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 298 K C 1.682 178.327 176.600 0.075 0.000 1.048 298 K CA 1.591 57.915 56.287 0.062 0.000 0.930 298 K CB -0.097 32.435 32.500 0.053 0.000 0.714 298 K HN 0.065 nan 8.250 nan 0.000 0.438 299 D N 0.858 121.309 120.400 0.084 0.000 2.133 299 D HA -0.217 4.423 4.640 -0.000 0.000 0.192 299 D C 1.684 178.022 176.300 0.064 0.000 1.001 299 D CA 1.236 55.283 54.000 0.079 0.000 0.844 299 D CB -0.154 40.728 40.800 0.136 0.000 0.944 299 D HN 0.438 nan 8.370 nan 0.000 0.447 300 E N 0.118 120.359 120.200 0.068 0.000 2.396 300 E HA -0.165 4.185 4.350 -0.000 0.000 0.200 300 E C 1.752 178.428 176.600 0.126 0.000 1.023 300 E CA 0.820 57.267 56.400 0.078 0.000 0.857 300 E CB 0.247 29.987 29.700 0.066 0.000 0.775 300 E HN 0.051 nan 8.360 nan 0.000 0.525 301 K N -0.640 119.832 120.400 0.120 0.000 2.511 301 K HA -0.009 4.311 4.320 -0.000 0.000 0.209 301 K C 0.618 177.294 176.600 0.127 0.000 1.301 301 K CA 0.301 56.650 56.287 0.105 0.000 0.967 301 K CB 0.578 33.124 32.500 0.076 0.000 1.109 301 K HN -0.002 nan 8.250 nan 0.000 0.561 302 D N 0.872 121.360 120.400 0.146 0.000 2.110 302 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 302 D C 1.606 178.068 176.300 0.271 0.000 0.975 302 D CA 0.753 54.856 54.000 0.172 0.000 0.839 302 D CB -0.473 40.407 40.800 0.133 0.000 0.996 302 D HN 0.107 nan 8.370 nan 0.000 0.464 303 F N 1.562 121.558 119.950 0.077 0.000 2.085 303 F HA -0.359 4.168 4.527 -0.000 0.000 0.299 303 F C 2.250 178.124 175.800 0.122 0.000 1.096 303 F CA 1.527 59.584 58.000 0.095 0.000 1.227 303 F CB 0.215 39.231 39.000 0.027 0.000 0.983 303 F HN -0.028 nan 8.300 nan 0.000 0.482 304 A N -0.354 122.590 122.820 0.207 0.000 1.930 304 A HA 0.000 4.320 4.320 -0.000 0.000 0.215 304 A C 2.248 179.861 177.584 0.049 0.000 1.176 304 A CA 1.172 53.244 52.037 0.057 0.000 0.632 304 A CB -1.271 17.761 19.000 0.054 0.000 0.819 304 A HN 0.460 nan 8.150 nan 0.000 0.445 305 A N -0.877 122.014 122.820 0.118 0.000 1.884 305 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 305 A C 2.182 179.903 177.584 0.228 0.000 1.197 305 A CA 2.014 54.138 52.037 0.145 0.000 0.637 305 A CB -1.000 18.117 19.000 0.195 0.000 0.827 305 A HN 0.807 nan 8.150 nan 0.000 0.450 306 Y N 0.465 120.857 120.300 0.154 0.000 2.242 306 Y HA -0.063 4.487 4.550 0.000 0.000 0.291 306 Y C 1.905 177.884 175.900 0.132 0.000 1.137 306 Y CA 1.561 59.784 58.100 0.206 0.000 1.181 306 Y CB -0.300 38.245 38.460 0.142 0.000 0.989 306 Y HN 0.210 nan 8.280 nan 0.000 0.527 307 L N -0.295 120.855 121.223 -0.121 0.000 2.275 307 L HA -0.155 4.185 4.340 -0.000 0.000 0.215 307 L C 2.634 179.360 176.870 -0.240 0.000 1.119 307 L CA 0.915 55.589 54.840 -0.276 0.000 0.790 307 L CB -0.894 41.006 42.059 -0.266 0.000 0.919 307 L HN 0.334 nan 8.230 nan 0.000 0.443 308 A N -0.116 122.568 122.820 -0.227 0.000 1.968 308 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 308 A C 1.973 179.316 177.584 -0.402 0.000 1.169 308 A CA 1.054 52.903 52.037 -0.313 0.000 0.638 308 A CB -0.540 18.231 19.000 -0.381 0.000 0.812 308 A HN 0.296 nan 8.150 nan 0.000 0.446 309 F N -0.502 119.368 119.950 -0.132 0.000 2.163 309 F HA -0.175 4.353 4.527 0.000 0.000 0.297 309 F C 2.666 178.368 175.800 -0.163 0.000 1.094 309 F CA 1.122 59.050 58.000 -0.120 0.000 1.290 309 F CB -0.786 38.156 39.000 -0.098 0.000 1.017 309 F HN 0.224 nan 8.300 nan 0.000 0.483 310 C N 0.266 119.472 119.300 -0.157 0.000 2.401 310 C HA -0.171 4.289 4.460 -0.000 0.000 0.276 310 C C 3.120 178.066 174.990 -0.073 0.000 1.233 310 C CA 1.404 60.313 59.018 -0.181 0.000 1.753 310 C CB -1.738 25.808 27.740 -0.324 0.000 2.029 310 C HN 0.678 nan 8.230 nan 0.000 0.478 311 G N -0.135 108.616 108.800 -0.081 0.000 2.422 311 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.218 311 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.218 311 G C 1.458 176.383 174.900 0.042 0.000 1.140 311 G CA 0.596 45.678 45.100 -0.030 0.000 0.775 311 G HN 0.535 nan 8.290 nan 0.000 0.545 312 I N 0.256 120.849 120.570 0.038 0.000 2.193 312 I HA -0.111 4.059 4.170 -0.000 0.000 0.240 312 I C 2.768 178.953 176.117 0.113 0.000 1.084 312 I CA 0.446 61.807 61.300 0.102 0.000 1.365 312 I CB -0.181 37.860 38.000 0.068 0.000 1.064 312 I HN 0.013 nan 8.210 nan 0.000 0.410 313 V N 0.905 120.868 119.914 0.081 0.000 2.255 313 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 313 V C 2.403 178.534 176.094 0.061 0.000 1.051 313 V CA 1.788 64.128 62.300 0.068 0.000 1.018 313 V CB -0.660 31.203 31.823 0.066 0.000 0.641 313 V HN 0.346 nan 8.190 nan 0.000 0.445 314 L N -0.536 120.720 121.223 0.056 0.000 1.989 314 L HA -0.264 4.076 4.340 -0.000 0.000 0.211 314 L C 2.700 179.609 176.870 0.065 0.000 1.071 314 L CA 2.242 57.110 54.840 0.047 0.000 0.749 314 L CB -0.896 41.183 42.059 0.033 0.000 0.890 314 L HN 0.491 nan 8.230 nan 0.000 0.431 315 H N 0.177 119.260 119.070 0.022 0.000 2.390 315 H HA -0.193 4.363 4.556 -0.000 0.000 0.298 315 H C 1.961 177.317 175.328 0.047 0.000 1.106 315 H CA 1.932 58.001 56.048 0.035 0.000 1.297 315 H CB 0.227 30.025 29.762 0.060 0.000 1.375 315 H HN 0.370 nan 8.280 nan 0.000 0.509 316 N N 0.561 119.243 118.700 -0.031 0.000 2.106 316 N HA -0.087 4.653 4.740 -0.000 0.000 0.188 316 N C 2.122 177.607 175.510 -0.041 0.000 1.029 316 N CA 1.329 54.341 53.050 -0.064 0.000 0.848 316 N CB -0.636 37.847 38.487 -0.006 0.000 1.007 316 N HN 0.429 nan 8.380 nan 0.000 0.423 317 A N 1.065 123.883 122.820 -0.004 0.000 1.933 317 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 317 A C 2.139 179.744 177.584 0.035 0.000 1.175 317 A CA 1.406 53.467 52.037 0.041 0.000 0.628 317 A CB -0.569 18.456 19.000 0.043 0.000 0.814 317 A HN 0.337 nan 8.150 nan 0.000 0.444 318 Q N -0.018 119.762 119.800 -0.034 0.000 2.046 318 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 318 Q C 2.096 178.049 176.000 -0.079 0.000 0.975 318 Q CA 1.616 57.384 55.803 -0.060 0.000 0.836 318 Q CB -0.301 28.393 28.738 -0.073 0.000 0.896 318 Q HN 0.680 nan 8.270 nan 0.000 0.428 319 L N -0.049 121.084 121.223 -0.150 0.000 2.013 319 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 319 L C 2.614 179.488 176.870 0.007 0.000 1.073 319 L CA 1.843 56.618 54.840 -0.108 0.000 0.753 319 L CB -0.801 41.162 42.059 -0.160 0.000 0.890 319 L HN 0.307 nan 8.230 nan 0.000 0.432 320 Y N 0.944 121.193 120.300 -0.084 0.000 2.207 320 Y HA -0.257 4.293 4.550 -0.000 0.000 0.287 320 Y C 2.481 178.353 175.900 -0.046 0.000 1.156 320 Y CA 1.709 59.778 58.100 -0.051 0.000 1.182 320 Y CB -0.099 38.339 38.460 -0.038 0.000 0.979 320 Y HN 0.216 nan 8.280 nan 0.000 0.521 321 E N -1.352 118.821 120.200 -0.046 0.000 2.216 321 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 321 E C 1.982 178.487 176.600 -0.159 0.000 0.988 321 E CA 1.240 57.553 56.400 -0.144 0.000 0.834 321 E CB -0.054 29.606 29.700 -0.067 0.000 0.772 321 E HN 0.437 nan 8.360 nan 0.000 0.479 322 T N 0.862 115.350 114.554 -0.110 0.000 2.746 322 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 322 T C 2.238 176.885 174.700 -0.089 0.000 1.039 322 T CA 1.607 63.654 62.100 -0.089 0.000 1.142 322 T CB -0.191 68.644 68.868 -0.055 0.000 0.866 322 T HN 0.248 nan 8.240 nan 0.000 0.444 323 S N 2.085 117.716 115.700 -0.116 0.000 2.368 323 S HA 0.005 4.475 4.470 -0.000 0.000 0.224 323 S C 2.106 176.620 174.600 -0.143 0.000 1.029 323 S CA 0.694 58.831 58.200 -0.105 0.000 0.988 323 S CB -0.929 62.215 63.200 -0.094 0.000 0.838 323 S HN 0.399 nan 8.310 nan 0.000 0.462 324 L N 1.053 122.116 121.223 -0.267 0.000 1.997 324 L HA -0.157 4.183 4.340 -0.000 0.000 0.216 324 L C 2.720 179.523 176.870 -0.112 0.000 1.074 324 L CA 1.641 56.343 54.840 -0.230 0.000 0.763 324 L CB -0.854 41.013 42.059 -0.320 0.000 0.890 324 L HN 0.304 nan 8.230 nan 0.000 0.434 325 L N -0.731 120.414 121.223 -0.129 0.000 2.083 325 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 325 L C 2.498 179.443 176.870 0.125 0.000 1.083 325 L CA 1.170 55.952 54.840 -0.096 0.000 0.752 325 L CB -0.452 41.450 42.059 -0.262 0.000 0.899 325 L HN 0.263 nan 8.230 nan 0.000 0.433 326 E N -0.048 120.192 120.200 0.066 0.000 2.110 326 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 326 E C 2.027 178.687 176.600 0.101 0.000 0.988 326 E CA 0.927 57.389 56.400 0.104 0.000 0.804 326 E CB -0.002 29.731 29.700 0.054 0.000 0.745 326 E HN 0.381 nan 8.360 nan 0.000 0.458 327 N N 0.260 118.994 118.700 0.057 0.000 2.216 327 N HA -0.171 4.569 4.740 -0.000 0.000 0.183 327 N C 1.743 177.301 175.510 0.079 0.000 1.017 327 N CA 0.863 53.942 53.050 0.048 0.000 0.861 327 N CB 0.110 38.600 38.487 0.005 0.000 0.986 327 N HN -0.036 nan 8.380 nan 0.000 0.428 328 K N 1.238 121.714 120.400 0.127 0.000 2.155 328 K HA -0.059 4.261 4.320 -0.000 0.000 0.203 328 K C 2.197 178.914 176.600 0.194 0.000 1.052 328 K CA 0.632 57.024 56.287 0.174 0.000 0.948 328 K CB -0.002 32.644 32.500 0.244 0.000 0.728 328 K HN 0.037 nan 8.250 nan 0.000 0.448 329 R N 0.418 121.075 120.500 0.262 0.000 2.083 329 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 329 R C 1.703 178.031 176.300 0.046 0.000 1.137 329 R CA 1.877 58.039 56.100 0.103 0.000 0.951 329 R CB -0.150 30.252 30.300 0.170 0.000 0.851 329 R HN 0.217 nan 8.270 nan 0.000 0.434 330 N N 0.579 119.316 118.700 0.062 0.000 2.142 330 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 330 N C 1.703 177.202 175.510 -0.019 0.000 1.023 330 N CA 1.303 54.368 53.050 0.025 0.000 0.852 330 N CB -0.203 38.312 38.487 0.047 0.000 0.998 330 N HN 0.389 nan 8.380 nan 0.000 0.424 331 Q N 0.291 120.090 119.800 -0.003 0.000 2.061 331 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 331 Q C 2.087 178.048 176.000 -0.065 0.000 0.984 331 Q CA 1.295 57.084 55.803 -0.023 0.000 0.846 331 Q CB -0.180 28.560 28.738 0.004 0.000 0.902 331 Q HN 0.124 nan 8.270 nan 0.000 0.421 332 V N 1.091 120.957 119.914 -0.079 0.000 2.282 332 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 332 V C 2.198 178.158 176.094 -0.223 0.000 1.057 332 V CA 1.707 63.897 62.300 -0.184 0.000 1.032 332 V CB -0.487 31.203 31.823 -0.221 0.000 0.645 332 V HN 0.368 nan 8.190 nan 0.000 0.447 333 L N -1.131 119.988 121.223 -0.174 0.000 2.056 333 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 333 L C 2.325 179.086 176.870 -0.183 0.000 1.078 333 L CA 1.399 56.123 54.840 -0.195 0.000 0.749 333 L CB -0.241 41.739 42.059 -0.131 0.000 0.901 333 L HN 0.305 nan 8.230 nan 0.000 0.433 334 L N -0.736 120.390 121.223 -0.161 0.000 2.046 334 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 334 L C 2.064 178.850 176.870 -0.141 0.000 1.077 334 L CA 1.215 55.946 54.840 -0.182 0.000 0.747 334 L CB -0.573 41.408 42.059 -0.129 0.000 0.896 334 L HN 0.221 nan 8.230 nan 0.000 0.432 335 D N -0.224 120.115 120.400 -0.102 0.000 2.144 335 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 335 D C 2.375 178.652 176.300 -0.038 0.000 0.978 335 D CA 1.030 55.013 54.000 -0.028 0.000 0.833 335 D CB -0.043 40.742 40.800 -0.026 0.000 0.961 335 D HN 0.204 nan 8.370 nan 0.000 0.470 336 L N 0.229 121.376 121.223 -0.127 0.000 2.056 336 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 336 L C 2.497 179.349 176.870 -0.029 0.000 1.078 336 L CA 0.951 55.737 54.840 -0.089 0.000 0.749 336 L CB -0.540 41.386 42.059 -0.221 0.000 0.901 336 L HN -0.004 nan 8.230 nan 0.000 0.433 337 A N -0.164 122.572 122.820 -0.140 0.000 1.903 337 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 337 A C 2.533 180.104 177.584 -0.021 0.000 1.191 337 A CA 2.463 54.358 52.037 -0.236 0.000 0.638 337 A CB -0.829 17.825 19.000 -0.578 0.000 0.823 337 A HN 0.386 nan 8.150 nan 0.000 0.451 338 S N -0.401 115.288 115.700 -0.018 0.000 2.353 338 S HA -0.144 4.326 4.470 -0.000 0.000 0.222 338 S C 1.877 176.492 174.600 0.025 0.000 1.035 338 S CA 1.397 59.613 58.200 0.027 0.000 1.025 338 S CB -0.485 62.716 63.200 0.000 0.000 0.902 338 S HN 0.474 nan 8.310 nan 0.000 0.440 339 L N 1.163 122.398 121.223 0.018 0.000 1.978 339 L HA -0.194 4.146 4.340 -0.000 0.000 0.218 339 L C 2.371 179.226 176.870 -0.026 0.000 1.075 339 L CA 2.141 56.993 54.840 0.022 0.000 0.767 339 L CB -0.820 41.279 42.059 0.067 0.000 0.890 339 L HN 0.505 nan 8.230 nan 0.000 0.434 340 I N -5.368 115.143 120.570 -0.098 0.000 3.226 340 I HA -0.122 4.048 4.170 -0.000 0.000 0.277 340 I C 1.763 177.696 176.117 -0.307 0.000 1.243 340 I CA 0.765 61.943 61.300 -0.203 0.000 1.459 340 I CB -0.250 37.594 38.000 -0.260 0.000 1.093 340 I HN -0.084 nan 8.210 nan 0.000 0.453 341 F N 1.879 121.804 119.950 -0.042 0.000 2.797 341 F HA 0.159 4.686 4.527 -0.000 0.000 0.302 341 F C 2.273 178.038 175.800 -0.058 0.000 1.130 341 F CA 0.425 58.393 58.000 -0.054 0.000 1.387 341 F CB -0.380 38.575 39.000 -0.073 0.000 1.107 341 F HN 0.247 nan 8.300 nan 0.000 0.577 342 E N 1.208 121.447 120.200 0.065 0.000 2.047 342 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 342 E C -0.103 176.495 176.600 -0.004 0.000 0.987 342 E CA 1.199 57.612 56.400 0.022 0.000 0.799 342 E CB 0.084 29.778 29.700 -0.011 0.000 0.752 342 E HN 0.372 nan 8.360 nan 0.000 0.449 343 E N 0.294 120.479 120.200 -0.024 0.000 2.325 343 E HA 0.205 4.555 4.350 -0.000 0.000 0.248 343 E C -1.289 175.269 176.600 -0.070 0.000 0.912 343 E CA -0.152 56.212 56.400 -0.060 0.000 0.782 343 E CB 1.751 31.410 29.700 -0.068 0.000 1.264 343 E HN 0.138 nan 8.360 nan 0.000 0.417 344 Q N 2.120 121.872 119.800 -0.080 0.000 2.715 344 Q HA 0.144 4.484 4.340 -0.000 0.000 0.399 344 Q C 0.017 175.943 176.000 -0.125 0.000 1.017 344 Q CA 0.064 55.835 55.803 -0.053 0.000 1.077 344 Q CB 0.606 29.363 28.738 0.031 0.000 1.350 344 Q HN 0.394 nan 8.270 nan 0.000 0.421 345 Q N -0.725 118.966 119.800 -0.183 0.000 2.313 345 Q HA 0.147 4.486 4.340 -0.000 0.000 0.263 345 Q C 0.100 176.105 176.000 0.009 0.000 0.820 345 Q CA 0.206 55.827 55.803 -0.304 0.000 0.974 345 Q CB 1.489 29.835 28.738 -0.654 0.000 1.156 345 Q HN 0.141 nan 8.270 nan 0.000 0.517 346 S N 0.434 116.124 115.700 -0.016 0.000 2.669 346 S HA 0.233 4.703 4.470 -0.000 0.000 0.315 346 S C 0.663 175.258 174.600 -0.007 0.000 1.106 346 S CA -0.439 57.774 58.200 0.021 0.000 1.107 346 S CB 0.438 63.644 63.200 0.009 0.000 0.990 346 S HN 0.244 nan 8.310 nan 0.000 0.471 347 L N 4.979 126.210 121.223 0.014 0.000 2.095 347 L HA -0.203 4.137 4.340 -0.000 0.000 0.229 347 L C 2.309 179.133 176.870 -0.077 0.000 1.097 347 L CA 2.738 57.567 54.840 -0.018 0.000 0.813 347 L CB -0.804 41.266 42.059 0.017 0.000 0.907 347 L HN 0.911 nan 8.230 nan 0.000 0.445 348 E N -1.566 118.607 120.200 -0.045 0.000 2.072 348 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 348 E C 2.120 178.630 176.600 -0.151 0.000 0.985 348 E CA 1.426 57.780 56.400 -0.076 0.000 0.801 348 E CB -0.095 29.630 29.700 0.041 0.000 0.750 348 E HN 0.327 nan 8.360 nan 0.000 0.452 349 V N 1.263 121.126 119.914 -0.086 0.000 2.231 349 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 349 V C 2.428 178.434 176.094 -0.147 0.000 1.054 349 V CA 2.179 64.425 62.300 -0.091 0.000 1.015 349 V CB -0.485 31.303 31.823 -0.059 0.000 0.638 349 V HN 0.439 nan 8.190 nan 0.000 0.444 350 I N -0.921 119.561 120.570 -0.147 0.000 2.394 350 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 350 I C 2.174 178.152 176.117 -0.233 0.000 1.136 350 I CA 1.298 62.502 61.300 -0.160 0.000 1.425 350 I CB 0.037 37.958 38.000 -0.132 0.000 1.079 350 I HN 0.263 nan 8.210 nan 0.000 0.425 351 L N 0.414 121.430 121.223 -0.345 0.000 1.994 351 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 351 L C 2.603 179.044 176.870 -0.716 0.000 1.071 351 L CA 1.485 55.995 54.840 -0.549 0.000 0.745 351 L CB -0.900 40.711 42.059 -0.746 0.000 0.892 351 L HN 0.193 nan 8.230 nan 0.000 0.431 352 K N 0.720 120.602 120.400 -0.863 0.000 2.089 352 K HA -0.268 4.052 4.320 -0.000 0.000 0.210 352 K C 2.169 178.678 176.600 -0.151 0.000 1.048 352 K CA 1.842 57.860 56.287 -0.449 0.000 0.926 352 K CB 0.006 32.420 32.500 -0.144 0.000 0.714 352 K HN 0.217 nan 8.250 nan 0.000 0.448 353 K N 0.258 120.579 120.400 -0.133 0.000 2.026 353 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 353 K C 2.159 178.781 176.600 0.036 0.000 1.048 353 K CA 1.614 57.884 56.287 -0.028 0.000 0.929 353 K CB -0.160 32.319 32.500 -0.035 0.000 0.713 353 K HN 0.109 nan 8.250 nan 0.000 0.439 354 I N 0.790 121.356 120.570 -0.007 0.000 2.264 354 I HA -0.330 3.840 4.170 -0.000 0.000 0.248 354 I C 2.307 178.535 176.117 0.185 0.000 1.111 354 I CA 1.403 62.772 61.300 0.115 0.000 1.382 354 I CB -0.174 37.791 38.000 -0.057 0.000 1.060 354 I HN 0.204 nan 8.210 nan 0.000 0.418 355 A N 0.109 122.974 122.820 0.075 0.000 1.855 355 A HA 0.002 4.322 4.320 -0.000 0.000 0.213 355 A C 2.538 180.190 177.584 0.113 0.000 1.195 355 A CA 1.230 53.339 52.037 0.119 0.000 0.610 355 A CB -1.077 18.035 19.000 0.186 0.000 0.837 355 A HN 0.364 nan 8.150 nan 0.000 0.444 356 A N -0.644 122.234 122.820 0.097 0.000 1.940 356 A HA -0.231 4.089 4.320 -0.000 0.000 0.221 356 A C 2.308 179.939 177.584 0.079 0.000 1.190 356 A CA 2.777 54.856 52.037 0.071 0.000 0.647 356 A CB -1.505 17.532 19.000 0.062 0.000 0.821 356 A HN 0.450 nan 8.150 nan 0.000 0.457 357 T N -0.064 114.573 114.554 0.138 0.000 2.643 357 T HA -0.101 4.249 4.350 -0.000 0.000 0.264 357 T C 1.825 176.637 174.700 0.187 0.000 1.045 357 T CA 1.542 63.761 62.100 0.199 0.000 1.155 357 T CB -0.433 68.544 68.868 0.181 0.000 0.863 357 T HN 0.416 nan 8.240 nan 0.000 0.420 358 I N 0.637 121.311 120.570 0.174 0.000 2.091 358 I HA -0.209 3.961 4.170 -0.000 0.000 0.239 358 I C 2.260 178.418 176.117 0.068 0.000 1.061 358 I CA 1.512 62.901 61.300 0.147 0.000 1.317 358 I CB -0.430 37.692 38.000 0.204 0.000 1.031 358 I HN 0.192 nan 8.210 nan 0.000 0.401 359 I N -0.062 120.535 120.570 0.045 0.000 2.315 359 I HA -0.351 3.819 4.170 -0.000 0.000 0.251 359 I C 2.495 178.566 176.117 -0.076 0.000 1.125 359 I CA 1.422 62.717 61.300 -0.008 0.000 1.392 359 I CB -0.260 37.731 38.000 -0.015 0.000 1.065 359 I HN 0.197 nan 8.210 nan 0.000 0.424 360 S N -0.209 115.419 115.700 -0.120 0.000 2.348 360 S HA -0.009 4.461 4.470 -0.000 0.000 0.219 360 S C 1.663 175.979 174.600 -0.474 0.000 1.033 360 S CA 1.097 59.105 58.200 -0.319 0.000 0.974 360 S CB -0.253 62.687 63.200 -0.433 0.000 0.868 360 S HN 0.307 nan 8.310 nan 0.000 0.459 361 F N 0.930 120.764 119.950 -0.193 0.000 2.615 361 F HA 0.282 4.809 4.527 -0.000 0.000 0.297 361 F C 1.950 177.536 175.800 -0.355 0.000 1.124 361 F CA 0.555 58.367 58.000 -0.313 0.000 1.451 361 F CB -0.102 38.632 39.000 -0.444 0.000 1.103 361 F HN 0.127 nan 8.300 nan 0.000 0.569 362 M N -1.384 118.139 119.600 -0.128 0.000 2.304 362 M HA 0.126 4.606 4.480 -0.000 0.000 0.281 362 M C -0.088 176.168 176.300 -0.074 0.000 1.014 362 M CA 0.323 55.562 55.300 -0.100 0.000 1.054 362 M CB 0.360 32.964 32.600 0.007 0.000 1.551 362 M HN -0.087 nan 8.290 nan 0.000 0.548 363 Q N 1.315 121.059 119.800 -0.093 0.000 2.460 363 Q HA -0.120 4.220 4.340 -0.000 0.000 0.311 363 Q C -0.589 175.366 176.000 -0.075 0.000 1.396 363 Q CA 0.221 55.965 55.803 -0.098 0.000 0.838 363 Q CB -1.561 27.107 28.738 -0.116 0.000 1.140 363 Q HN 0.546 nan 8.270 nan 0.000 0.415 364 V N -3.606 116.295 119.914 -0.022 0.000 2.975 364 V HA 0.338 4.458 4.120 -0.000 0.000 0.318 364 V C 1.046 177.140 176.094 -0.001 0.000 1.077 364 V CA -0.521 61.789 62.300 0.016 0.000 1.000 364 V CB 1.921 33.832 31.823 0.147 0.000 1.066 364 V HN 0.339 nan 8.190 nan 0.000 0.452 365 Q N 0.389 120.195 119.800 0.009 0.000 2.212 365 Q HA 0.244 4.584 4.340 -0.000 0.000 0.199 365 Q C -0.126 175.871 176.000 -0.005 0.000 0.950 365 Q CA 0.940 56.743 55.803 0.000 0.000 0.863 365 Q CB 0.341 29.085 28.738 0.010 0.000 0.944 365 Q HN 0.739 nan 8.270 nan 0.000 0.465 366 K N -0.395 120.004 120.400 -0.002 0.000 2.523 366 K HA 0.427 4.747 4.320 -0.000 0.000 0.257 366 K C -1.752 174.796 176.600 -0.087 0.000 0.932 366 K CA -0.523 55.717 56.287 -0.078 0.000 0.812 366 K CB 2.740 35.241 32.500 0.001 0.000 1.326 366 K HN -0.020 nan 8.250 nan 0.000 0.433 367 C N 1.335 120.513 119.300 -0.204 0.000 2.547 367 C HA 0.728 5.188 4.460 -0.000 0.000 0.313 367 C C -1.064 173.809 174.990 -0.195 0.000 1.191 367 C CA 0.002 58.951 59.018 -0.116 0.000 1.474 367 C CB 1.102 28.829 27.740 -0.022 0.000 2.081 367 C HN 0.814 nan 8.230 nan 0.000 0.476 368 T N 6.442 120.936 114.554 -0.099 0.000 2.949 368 T HA 0.473 4.823 4.350 -0.000 0.000 0.300 368 T C -0.803 173.777 174.700 -0.200 0.000 0.988 368 T CA -0.034 61.952 62.100 -0.190 0.000 0.993 368 T CB 0.763 69.509 68.868 -0.204 0.000 0.984 368 T HN 0.545 nan 8.240 nan 0.000 0.442 369 I N 3.898 124.356 120.570 -0.186 0.000 2.304 369 I HA 0.404 4.574 4.170 -0.000 0.000 0.291 369 I C -0.724 175.227 176.117 -0.277 0.000 1.018 369 I CA -0.401 60.836 61.300 -0.106 0.000 1.260 369 I CB 0.481 38.474 38.000 -0.013 0.000 1.390 369 I HN 0.509 nan 8.210 nan 0.000 0.475 370 F N 7.210 127.042 119.950 -0.196 0.000 2.385 370 F HA 0.460 4.987 4.527 -0.000 0.000 0.360 370 F C 0.096 175.843 175.800 -0.088 0.000 1.122 370 F CA -0.669 57.088 58.000 -0.406 0.000 1.090 370 F CB 0.486 38.830 39.000 -1.094 0.000 1.150 370 F HN 0.185 nan 8.300 nan 0.000 0.472 371 I N 3.960 124.652 120.570 0.203 0.000 2.352 371 I HA 0.173 4.343 4.170 -0.000 0.000 0.290 371 I C -0.084 176.347 176.117 0.525 0.000 1.036 371 I CA -0.379 61.096 61.300 0.292 0.000 1.336 371 I CB 0.839 38.941 38.000 0.171 0.000 1.407 371 I HN 0.240 nan 8.210 nan 0.000 0.497 372 V N 5.816 125.991 119.914 0.436 0.000 2.599 372 V HA -0.059 4.061 4.120 -0.000 0.000 0.300 372 V C 0.683 176.861 176.094 0.139 0.000 1.034 372 V CA -0.094 62.339 62.300 0.221 0.000 1.115 372 V CB 0.482 32.349 31.823 0.073 0.000 0.934 372 V HN 0.682 nan 8.190 nan 0.000 0.485 373 D N 3.533 123.979 120.400 0.077 0.000 2.488 373 D HA -0.027 4.613 4.640 -0.000 0.000 0.238 373 D C 0.993 177.315 176.300 0.036 0.000 1.138 373 D CA 0.385 54.424 54.000 0.065 0.000 0.873 373 D CB 1.057 41.882 40.800 0.042 0.000 1.183 373 D HN 0.707 nan 8.370 nan 0.000 0.458 374 E N 1.626 121.852 120.200 0.043 0.000 2.122 374 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 374 E C 0.867 177.478 176.600 0.019 0.000 0.977 374 E CA 0.640 57.059 56.400 0.033 0.000 0.820 374 E CB 0.414 30.136 29.700 0.037 0.000 0.770 374 E HN 0.477 nan 8.360 nan 0.000 0.462 375 D N -0.237 120.174 120.400 0.018 0.000 2.202 375 D HA -0.065 4.575 4.640 -0.000 0.000 0.214 375 D C 0.515 176.816 176.300 0.002 0.000 0.967 375 D CA 0.520 54.526 54.000 0.010 0.000 0.871 375 D CB -0.344 40.463 40.800 0.012 0.000 1.020 375 D HN 0.094 nan 8.370 nan 0.000 0.474 376 C N 2.932 122.232 119.300 0.000 0.000 2.158 376 C HA 0.303 4.763 4.460 -0.000 0.000 0.350 376 C C 1.448 176.418 174.990 -0.034 0.000 1.064 376 C CA -0.605 58.405 59.018 -0.013 0.000 1.507 376 C CB -1.876 25.858 27.740 -0.010 0.000 1.934 376 C HN 0.198 nan 8.230 nan 0.000 0.479 377 S N 2.638 118.316 115.700 -0.036 0.000 3.033 377 S HA 0.119 4.589 4.470 -0.000 0.000 0.258 377 S C 0.436 174.983 174.600 -0.087 0.000 1.207 377 S CA 0.486 58.657 58.200 -0.048 0.000 1.248 377 S CB -0.523 62.661 63.200 -0.028 0.000 0.932 377 S HN 0.966 nan 8.310 nan 0.000 0.472 378 D N -1.077 119.248 120.400 -0.125 0.000 3.014 378 D HA 0.042 4.682 4.640 -0.000 0.000 0.302 378 D C 0.048 176.221 176.300 -0.211 0.000 1.598 378 D CA 0.193 54.085 54.000 -0.180 0.000 0.887 378 D CB -0.420 40.316 40.800 -0.106 0.000 1.580 378 D HN 0.369 nan 8.370 nan 0.000 0.424 379 S N -1.023 114.558 115.700 -0.199 0.000 2.753 379 S HA 0.804 5.274 4.470 -0.000 0.000 0.302 379 S C -0.508 173.900 174.600 -0.321 0.000 1.104 379 S CA -0.818 57.269 58.200 -0.188 0.000 0.968 379 S CB 0.819 64.013 63.200 -0.010 0.000 1.278 379 S HN 0.036 nan 8.310 nan 0.000 0.549 380 F N 1.371 121.437 119.950 0.193 0.000 2.500 380 F HA 0.380 4.907 4.527 -0.000 0.000 0.349 380 F C 1.680 177.583 175.800 0.171 0.000 1.127 380 F CA -0.546 57.577 58.000 0.205 0.000 0.998 380 F CB 2.006 41.183 39.000 0.295 0.000 1.237 380 F HN 0.847 nan 8.300 nan 0.000 0.439 381 S N 2.493 118.369 115.700 0.294 0.000 2.377 381 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 381 S C 0.713 175.432 174.600 0.199 0.000 1.042 381 S CA 1.492 59.813 58.200 0.200 0.000 1.086 381 S CB -0.316 62.973 63.200 0.148 0.000 0.995 381 S HN 0.565 nan 8.310 nan 0.000 0.428 382 S N -0.670 115.149 115.700 0.198 0.000 2.599 382 S HA 0.799 5.269 4.470 -0.000 0.000 0.287 382 S C -1.112 173.533 174.600 0.075 0.000 1.105 382 S CA -0.848 57.432 58.200 0.133 0.000 0.899 382 S CB 2.086 65.352 63.200 0.109 0.000 1.100 382 S HN 0.381 nan 8.310 nan 0.000 0.482 383 V N 1.970 121.887 119.914 0.004 0.000 2.709 383 V HA 0.632 4.752 4.120 -0.000 0.000 0.308 383 V C -1.540 174.506 176.094 -0.079 0.000 1.062 383 V CA -0.616 61.586 62.300 -0.162 0.000 0.901 383 V CB 1.675 33.321 31.823 -0.296 0.000 1.003 383 V HN 0.921 nan 8.190 nan 0.000 0.425 384 F N 3.827 123.631 119.950 -0.243 0.000 2.493 384 F HA 0.716 5.243 4.527 -0.000 0.000 0.329 384 F C -0.581 175.132 175.800 -0.145 0.000 1.126 384 F CA -0.348 57.566 58.000 -0.145 0.000 0.937 384 F CB 1.446 40.382 39.000 -0.107 0.000 1.146 384 F HN 0.674 nan 8.300 nan 0.000 0.442 385 H N 6.572 125.150 119.070 -0.819 0.000 2.609 385 H HA 0.569 5.125 4.556 -0.000 0.000 0.344 385 H C -1.422 173.592 175.328 -0.523 0.000 1.040 385 H CA -0.721 55.031 56.048 -0.494 0.000 1.216 385 H CB 1.534 31.083 29.762 -0.354 0.000 1.529 385 H HN 0.790 nan 8.280 nan 0.000 0.519 386 M N 4.245 123.501 119.600 -0.574 0.000 2.326 386 M HA 0.375 4.855 4.480 -0.000 0.000 0.306 386 M C -1.242 174.835 176.300 -0.371 0.000 1.054 386 M CA -0.475 54.639 55.300 -0.310 0.000 0.922 386 M CB 1.475 34.063 32.600 -0.019 0.000 1.632 386 M HN 0.669 nan 8.290 nan 0.000 0.436 387 E N 2.075 122.175 120.200 -0.167 0.000 2.250 387 E HA 0.201 4.551 4.350 -0.000 0.000 0.269 387 E C 0.677 177.250 176.600 -0.045 0.000 1.018 387 E CA -0.470 55.883 56.400 -0.077 0.000 0.873 387 E CB 1.777 31.497 29.700 0.035 0.000 1.134 387 E HN 1.008 nan 8.360 nan 0.000 0.403 388 C N 0.500 119.781 119.300 -0.032 0.000 2.456 388 C HA 0.053 4.513 4.460 -0.000 0.000 0.279 388 C C 1.280 176.254 174.990 -0.026 0.000 1.427 388 C CA -0.182 58.817 59.018 -0.032 0.000 1.778 388 C CB -0.581 27.138 27.740 -0.034 0.000 1.842 388 C HN 0.612 nan 8.230 nan 0.000 0.531 389 E N 1.329 121.519 120.200 -0.017 0.000 2.527 389 E HA -0.029 4.321 4.350 -0.000 0.000 0.204 389 E C -0.093 176.499 176.600 -0.013 0.000 1.132 389 E CA 0.571 56.963 56.400 -0.014 0.000 0.905 389 E CB -0.613 29.084 29.700 -0.006 0.000 0.875 389 E HN 0.680 nan 8.360 nan 0.000 0.548 390 E N -0.348 119.843 120.200 -0.015 0.000 3.487 390 E HA -0.214 4.136 4.350 -0.000 0.000 0.335 390 E C -0.490 176.108 176.600 -0.003 0.000 1.700 390 E CA 0.670 57.066 56.400 -0.007 0.000 1.219 390 E CB -0.881 28.816 29.700 -0.005 0.000 0.671 390 E HN 0.173 nan 8.360 nan 0.000 0.348 391 L N 1.975 123.196 121.223 -0.003 0.000 2.724 391 L HA 0.237 4.577 4.340 -0.000 0.000 0.258 391 L C -0.786 176.072 176.870 -0.020 0.000 0.967 391 L CA -0.195 54.644 54.840 -0.002 0.000 0.891 391 L CB 1.520 43.577 42.059 -0.004 0.000 1.456 391 L HN 0.426 nan 8.230 nan 0.000 0.416 392 E N 2.229 122.415 120.200 -0.023 0.000 3.935 392 E HA 0.304 4.654 4.350 -0.000 0.000 0.226 392 E C -1.176 175.366 176.600 -0.097 0.000 1.220 392 E CA -0.657 55.743 56.400 0.001 0.000 1.226 392 E CB 0.904 30.664 29.700 0.100 0.000 1.237 392 E HN 0.491 nan 8.360 nan 0.000 0.417 393 K N -0.587 119.613 120.400 -0.333 0.000 2.316 393 K HA 0.719 5.039 4.320 -0.000 0.000 0.234 393 K C -0.355 175.931 176.600 -0.524 0.000 1.054 393 K CA -0.727 55.388 56.287 -0.288 0.000 0.879 393 K CB 1.637 34.041 32.500 -0.160 0.000 1.252 393 K HN -0.011 nan 8.250 nan 0.000 0.471 408 N N 1.663 120.613 118.700 0.417 0.000 2.407 408 N HA 0.302 5.042 4.740 -0.000 0.000 0.277 408 N C -0.820 174.927 175.510 0.395 0.000 0.995 408 N CA -0.184 53.110 53.050 0.406 0.000 0.903 408 N CB 1.799 40.421 38.487 0.226 0.000 1.218 408 N HN 0.158 nan 8.380 nan 0.000 0.487 409 Y N 1.452 121.793 120.300 0.068 0.000 2.500 409 Y HA 0.109 4.659 4.550 -0.000 0.000 0.246 409 Y C 2.082 177.953 175.900 -0.050 0.000 1.146 409 Y CA -0.396 57.714 58.100 0.016 0.000 1.230 409 Y CB 0.582 39.114 38.460 0.119 0.000 1.214 409 Y HN 0.519 nan 8.280 nan 0.000 0.526 410 M N -1.858 117.772 119.600 0.050 0.000 2.123 410 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 410 M C 1.231 177.560 176.300 0.050 0.000 1.069 410 M CA 1.841 57.151 55.300 0.016 0.000 1.133 410 M CB -1.183 31.370 32.600 -0.077 0.000 1.356 410 M HN 0.100 nan 8.290 nan 0.000 0.415 411 Y N 1.747 122.067 120.300 0.034 0.000 2.165 411 Y HA -0.125 4.425 4.550 -0.000 0.000 0.286 411 Y C 3.004 178.837 175.900 -0.113 0.000 1.155 411 Y CA 1.223 59.233 58.100 -0.150 0.000 1.164 411 Y CB -1.149 37.147 38.460 -0.275 0.000 0.978 411 Y HN 0.360 nan 8.280 nan 0.000 0.513 412 A N 0.152 122.904 122.820 -0.113 0.000 1.865 412 A HA -0.345 3.975 4.320 -0.000 0.000 0.217 412 A C 2.150 179.770 177.584 0.061 0.000 1.191 412 A CA 2.259 54.092 52.037 -0.340 0.000 0.623 412 A CB -0.961 17.297 19.000 -1.238 0.000 0.826 412 A HN 0.465 nan 8.150 nan 0.000 0.444 413 Q N -1.558 118.347 119.800 0.174 0.000 2.050 413 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 413 Q C 1.882 178.032 176.000 0.251 0.000 0.980 413 Q CA 2.148 58.091 55.803 0.233 0.000 0.840 413 Q CB -0.538 28.323 28.738 0.206 0.000 0.898 413 Q HN 0.777 nan 8.270 nan 0.000 0.424 414 Y N -0.616 119.775 120.300 0.151 0.000 2.040 414 Y HA -0.341 4.209 4.550 -0.000 0.000 0.275 414 Y C 1.928 177.904 175.900 0.126 0.000 1.171 414 Y CA 1.501 59.711 58.100 0.182 0.000 1.123 414 Y CB -0.074 38.612 38.460 0.377 0.000 0.963 414 Y HN 0.018 nan 8.280 nan 0.000 0.493 415 V N 1.064 121.188 119.914 0.351 0.000 2.332 415 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 415 V C 2.317 178.514 176.094 0.172 0.000 1.055 415 V CA 2.387 64.788 62.300 0.168 0.000 1.038 415 V CB -0.751 31.091 31.823 0.031 0.000 0.651 415 V HN 0.388 nan 8.190 nan 0.000 0.450 416 K N -0.023 120.479 120.400 0.170 0.000 2.148 416 K HA -0.189 4.131 4.320 -0.000 0.000 0.204 416 K C 1.874 178.531 176.600 0.095 0.000 1.050 416 K CA 1.660 58.020 56.287 0.123 0.000 0.942 416 K CB -0.081 32.482 32.500 0.106 0.000 0.724 416 K HN 0.446 nan 8.250 nan 0.000 0.446 417 N N -0.195 118.577 118.700 0.120 0.000 2.336 417 N HA -0.054 4.686 4.740 -0.000 0.000 0.177 417 N C 1.589 177.157 175.510 0.097 0.000 1.018 417 N CA 1.112 54.207 53.050 0.075 0.000 0.878 417 N CB -0.380 38.129 38.487 0.037 0.000 0.997 417 N HN 0.107 nan 8.380 nan 0.000 0.433 418 T N 0.925 115.602 114.554 0.204 0.000 2.668 418 T HA 0.005 4.355 4.350 -0.000 0.000 0.262 418 T C 0.924 175.710 174.700 0.143 0.000 1.045 418 T CA 1.457 63.698 62.100 0.235 0.000 1.152 418 T CB -0.013 69.163 68.868 0.513 0.000 0.864 418 T HN 0.286 nan 8.240 nan 0.000 0.419 419 M N -0.228 119.448 119.600 0.127 0.000 3.011 419 M HA -0.138 4.342 4.480 -0.000 0.000 0.216 419 M C -0.747 175.582 176.300 0.049 0.000 0.564 419 M CA 0.481 55.824 55.300 0.072 0.000 0.816 419 M CB -1.910 30.721 32.600 0.052 0.000 2.914 419 M HN 0.323 nan 8.290 nan 0.000 0.348 420 E N 0.318 120.550 120.200 0.054 0.000 2.227 420 E HA 0.589 4.939 4.350 -0.000 0.000 0.268 420 E C -2.385 174.195 176.600 -0.032 0.000 0.907 420 E CA -2.186 54.223 56.400 0.014 0.000 0.786 420 E CB 1.191 30.909 29.700 0.030 0.000 1.191 420 E HN -0.093 nan 8.360 nan 0.000 0.411 421 P HA -0.055 nan 4.420 nan 0.000 0.267 421 P C -1.117 176.108 177.300 -0.124 0.000 1.195 421 P CA -0.056 62.995 63.100 -0.083 0.000 0.773 421 P CB 0.349 32.010 31.700 -0.067 0.000 0.837 422 L N 2.253 123.369 121.223 -0.178 0.000 2.404 422 L HA 0.611 4.951 4.340 -0.000 0.000 0.272 422 L C -1.246 175.500 176.870 -0.207 0.000 0.980 422 L CA -0.412 54.290 54.840 -0.230 0.000 0.836 422 L CB 1.435 43.269 42.059 -0.375 0.000 1.238 422 L HN 0.146 nan 8.230 nan 0.000 0.408 423 N N 6.124 124.740 118.700 -0.140 0.000 2.483 423 N HA 0.477 5.216 4.740 -0.000 0.000 0.267 423 N C -1.669 173.807 175.510 -0.055 0.000 0.998 423 N CA -0.328 52.658 53.050 -0.107 0.000 0.918 423 N CB 1.196 39.652 38.487 -0.052 0.000 1.215 423 N HN 0.701 nan 8.380 nan 0.000 0.500 424 I N 5.281 125.813 120.570 -0.063 0.000 2.390 424 I HA 0.317 4.487 4.170 -0.000 0.000 0.283 424 I C -1.567 174.555 176.117 0.008 0.000 1.016 424 I CA -2.134 59.147 61.300 -0.031 0.000 1.151 424 I CB 2.234 40.185 38.000 -0.081 0.000 1.293 424 I HN 0.299 nan 8.210 nan 0.000 0.458 425 P HA -0.098 nan 4.420 nan 0.000 0.220 425 P C -0.136 177.166 177.300 0.004 0.000 1.148 425 P CA 1.373 64.489 63.100 0.028 0.000 0.803 425 P CB 0.154 31.864 31.700 0.017 0.000 0.782 426 D N -1.901 118.491 120.400 -0.013 0.000 2.452 426 D HA 0.019 4.659 4.640 -0.000 0.000 0.226 426 D C 0.668 176.930 176.300 -0.062 0.000 1.366 426 D CA -0.487 53.487 54.000 -0.043 0.000 0.986 426 D CB 0.825 41.591 40.800 -0.057 0.000 1.420 426 D HN -0.361 nan 8.370 nan 0.000 0.583 427 V N 3.335 123.210 119.914 -0.065 0.000 2.568 427 V HA -0.211 3.909 4.120 -0.000 0.000 0.253 427 V C 2.093 178.106 176.094 -0.136 0.000 1.072 427 V CA 2.938 65.219 62.300 -0.032 0.000 1.084 427 V CB -0.293 31.554 31.823 0.039 0.000 0.676 427 V HN 0.705 nan 8.190 nan 0.000 0.469 428 S N -0.652 114.841 115.700 -0.345 0.000 2.371 428 S HA -0.109 4.361 4.470 -0.000 0.000 0.221 428 S C 1.789 176.202 174.600 -0.311 0.000 1.036 428 S CA 0.647 58.461 58.200 -0.644 0.000 0.965 428 S CB -0.458 62.210 63.200 -0.886 0.000 0.845 428 S HN 0.597 nan 8.310 nan 0.000 0.475 429 K N 2.110 122.395 120.400 -0.192 0.000 2.643 429 K HA 0.099 4.419 4.320 -0.000 0.000 0.193 429 K C 0.130 176.714 176.600 -0.026 0.000 1.027 429 K CA 0.355 56.586 56.287 -0.093 0.000 1.033 429 K CB -0.182 32.276 32.500 -0.069 0.000 0.827 429 K HN 0.522 nan 8.250 nan 0.000 0.500 430 D N 0.290 120.690 120.400 0.000 0.000 2.185 430 D HA 0.113 4.753 4.640 -0.000 0.000 0.247 430 D C 0.328 176.710 176.300 0.136 0.000 1.027 430 D CA -0.289 53.765 54.000 0.089 0.000 0.861 430 D CB 1.430 42.315 40.800 0.141 0.000 1.202 430 D HN -0.274 nan 8.370 nan 0.000 0.453 431 K N 2.270 122.755 120.400 0.141 0.000 2.348 431 K HA 0.148 4.468 4.320 -0.000 0.000 0.194 431 K C 1.717 178.370 176.600 0.090 0.000 1.052 431 K CA 0.129 56.477 56.287 0.102 0.000 1.004 431 K CB 0.274 32.813 32.500 0.065 0.000 0.873 431 K HN 0.413 nan 8.250 nan 0.000 0.523 432 R N -0.659 119.920 120.500 0.131 0.000 2.276 432 R HA 0.109 4.449 4.340 -0.000 0.000 0.203 432 R C -0.305 175.768 176.300 -0.380 0.000 1.017 432 R CA 0.472 56.522 56.100 -0.083 0.000 1.010 432 R CB 0.234 30.531 30.300 -0.005 0.000 0.900 432 R HN -0.087 nan 8.270 nan 0.000 0.469 433 F N 1.620 121.649 119.950 0.132 0.000 2.610 433 F HA 0.288 4.815 4.527 -0.000 0.000 0.355 433 F C -1.947 173.936 175.800 0.139 0.000 1.140 433 F CA -2.893 55.183 58.000 0.127 0.000 1.037 433 F CB 1.465 40.573 39.000 0.180 0.000 1.287 433 F HN -0.172 nan 8.300 nan 0.000 0.457 434 P HA -0.166 nan 4.420 nan 0.000 0.256 434 P C -0.261 177.195 177.300 0.260 0.000 1.173 434 P CA 0.274 63.478 63.100 0.173 0.000 0.768 434 P CB 0.460 32.206 31.700 0.076 0.000 0.758 447 C N -0.056 119.296 119.300 0.087 0.000 0.168 447 C HA -0.211 4.249 4.460 -0.000 0.000 0.017 447 C C 0.310 175.375 174.990 0.125 0.000 0.171 447 C CA -0.241 58.855 59.018 0.130 0.000 0.499 447 C CB -1.289 26.541 27.740 0.150 0.000 3.212 447 C HN 0.918 nan 8.230 nan 0.000 1.118 448 I N 0.919 121.579 120.570 0.150 0.000 2.642 448 I HA 0.182 4.352 4.170 -0.000 0.000 0.273 448 I C 0.976 177.141 176.117 0.079 0.000 1.208 448 I CA -0.466 60.904 61.300 0.117 0.000 1.037 448 I CB 0.633 38.725 38.000 0.153 0.000 1.253 448 I HN 0.548 nan 8.210 nan 0.000 0.504 449 R N 1.712 122.235 120.500 0.038 0.000 2.054 449 R HA 0.097 4.437 4.340 -0.000 0.000 0.223 449 R C 0.881 177.179 176.300 -0.004 0.000 1.176 449 R CA 1.049 57.149 56.100 0.001 0.000 0.934 449 R CB -0.026 30.266 30.300 -0.012 0.000 0.828 449 R HN 0.589 nan 8.270 nan 0.000 0.441 450 S N 0.629 116.343 115.700 0.024 0.000 2.508 450 S HA 0.517 4.987 4.470 -0.000 0.000 0.284 450 S C -0.375 174.321 174.600 0.160 0.000 1.192 450 S CA -0.777 57.475 58.200 0.086 0.000 1.070 450 S CB 1.806 65.051 63.200 0.074 0.000 1.004 450 S HN 0.186 nan 8.310 nan 0.000 0.493 451 L N 3.168 124.434 121.223 0.072 0.000 2.404 451 L HA 0.581 4.921 4.340 -0.000 0.000 0.272 451 L C -1.116 175.569 176.870 -0.308 0.000 0.980 451 L CA -0.508 54.244 54.840 -0.147 0.000 0.836 451 L CB 1.503 43.325 42.059 -0.395 0.000 1.238 451 L HN 0.798 nan 8.230 nan 0.000 0.408 452 L N 4.379 125.132 121.223 -0.783 0.000 2.334 452 L HA 0.721 5.061 4.340 -0.000 0.000 0.276 452 L C -1.350 175.216 176.870 -0.507 0.000 1.014 452 L CA -0.512 53.827 54.840 -0.835 0.000 0.815 452 L CB 1.839 42.965 42.059 -1.554 0.000 1.268 452 L HN 0.815 nan 8.230 nan 0.000 0.428 453 C N 2.509 121.610 119.300 -0.331 0.000 3.094 453 C HA 0.632 5.092 4.460 -0.000 0.000 0.414 453 C C -0.796 174.106 174.990 -0.146 0.000 0.993 453 C CA -0.134 58.759 59.018 -0.208 0.000 1.217 453 C CB 1.262 28.873 27.740 -0.214 0.000 1.603 453 C HN 0.925 nan 8.230 nan 0.000 0.564 454 T N 7.601 122.106 114.554 -0.082 0.000 2.971 454 T HA 0.565 4.915 4.350 -0.000 0.000 0.304 454 T C -2.932 171.761 174.700 -0.013 0.000 1.038 454 T CA -0.554 61.514 62.100 -0.053 0.000 1.007 454 T CB 2.196 71.035 68.868 -0.048 0.000 1.055 454 T HN 0.657 nan 8.240 nan 0.000 0.451 455 P HA 0.282 nan 4.420 nan 0.000 0.268 455 P C -0.779 176.527 177.300 0.010 0.000 1.205 455 P CA -0.278 62.836 63.100 0.024 0.000 0.771 455 P CB 0.508 32.223 31.700 0.026 0.000 0.858 456 I N 2.869 123.455 120.570 0.026 0.000 2.331 456 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 456 I C 0.945 177.069 176.117 0.011 0.000 0.998 456 I CA -0.462 60.839 61.300 0.002 0.000 1.267 456 I CB 0.867 38.867 38.000 0.001 0.000 1.386 456 I HN 0.172 nan 8.210 nan 0.000 0.476 457 K N 4.546 124.941 120.400 -0.009 0.000 2.185 457 K HA 0.385 4.705 4.320 -0.000 0.000 0.240 457 K C -0.234 176.366 176.600 0.001 0.000 0.983 457 K CA -0.706 55.580 56.287 -0.001 0.000 0.873 457 K CB 1.534 34.027 32.500 -0.012 0.000 1.118 457 K HN 0.686 nan 8.250 nan 0.000 0.441 458 N N -1.393 117.313 118.700 0.010 0.000 2.381 458 N HA 0.169 4.909 4.740 -0.000 0.000 0.289 458 N C 1.137 176.655 175.510 0.014 0.000 1.288 458 N CA -0.478 52.582 53.050 0.017 0.000 0.960 458 N CB 0.279 38.779 38.487 0.022 0.000 1.116 458 N HN 0.418 nan 8.380 nan 0.000 0.557 459 G N -0.308 108.506 108.800 0.022 0.000 2.484 459 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 459 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 459 G C 0.082 174.989 174.900 0.011 0.000 1.219 459 G CA 0.435 45.548 45.100 0.022 0.000 0.791 459 G HN 0.565 nan 8.290 nan 0.000 0.550 460 K N 1.501 121.906 120.400 0.010 0.000 2.416 460 K HA 0.131 4.451 4.320 -0.000 0.000 0.283 460 K C -0.280 176.321 176.600 0.001 0.000 1.037 460 K CA -0.049 56.240 56.287 0.004 0.000 0.995 460 K CB 1.282 33.785 32.500 0.005 0.000 0.938 460 K HN 0.139 nan 8.250 nan 0.000 0.475 461 K N 3.322 123.719 120.400 -0.005 0.000 3.006 461 K HA -0.005 4.315 4.320 -0.000 0.000 0.265 461 K C 0.570 177.167 176.600 -0.005 0.000 1.279 461 K CA -0.001 56.280 56.287 -0.010 0.000 1.229 461 K CB -0.308 32.180 32.500 -0.021 0.000 1.555 461 K HN 0.670 nan 8.250 nan 0.000 0.300 462 N N -0.551 118.149 118.700 0.000 0.000 2.159 462 N HA 0.035 4.775 4.740 -0.000 0.000 0.217 462 N C -0.263 175.251 175.510 0.006 0.000 1.223 462 N CA -0.359 52.692 53.050 0.002 0.000 0.896 462 N CB 0.804 39.292 38.487 0.002 0.000 1.064 462 N HN -0.031 nan 8.380 nan 0.000 0.518 463 K N 0.569 120.974 120.400 0.008 0.000 2.551 463 K HA 0.407 4.727 4.320 -0.000 0.000 0.269 463 K C -1.911 174.700 176.600 0.019 0.000 0.949 463 K CA -0.591 55.703 56.287 0.013 0.000 0.849 463 K CB 3.445 35.953 32.500 0.012 0.000 1.411 463 K HN -0.170 nan 8.250 nan 0.000 0.432 464 V N 5.118 125.047 119.914 0.026 0.000 2.350 464 V HA 0.251 4.370 4.120 -0.000 0.000 0.285 464 V C 0.724 176.852 176.094 0.056 0.000 1.014 464 V CA -0.486 61.839 62.300 0.041 0.000 0.831 464 V CB 1.085 32.936 31.823 0.048 0.000 1.000 464 V HN 0.750 nan 8.190 nan 0.000 0.433 465 I N 1.639 122.248 120.570 0.065 0.000 3.941 465 I HA 0.687 4.857 4.170 -0.000 0.000 0.321 465 I C 0.704 176.899 176.117 0.130 0.000 1.284 465 I CA 0.320 61.667 61.300 0.079 0.000 1.226 465 I CB 0.617 38.652 38.000 0.059 0.000 1.045 465 I HN 0.607 nan 8.210 nan 0.000 0.420 466 G N 0.516 109.406 108.800 0.149 0.000 2.495 466 G HA2 0.550 4.510 3.960 -0.000 0.000 0.294 466 G HA3 0.550 4.510 3.960 -0.000 0.000 0.294 466 G C -1.824 173.191 174.900 0.192 0.000 1.397 466 G CA -0.396 44.834 45.100 0.217 0.000 0.790 466 G HN -0.094 nan 8.290 nan 0.000 0.486 467 V N -0.863 119.179 119.914 0.213 0.000 2.876 467 V HA 0.655 4.775 4.120 -0.000 0.000 0.312 467 V C -0.679 175.517 176.094 0.169 0.000 1.085 467 V CA -0.764 61.629 62.300 0.154 0.000 0.945 467 V CB 1.860 33.749 31.823 0.110 0.000 1.017 467 V HN 1.069 nan 8.190 nan 0.000 0.428 468 C N 3.870 123.228 119.300 0.098 0.000 2.345 468 C HA 0.737 5.197 4.460 -0.000 0.000 0.323 468 C C -0.428 174.594 174.990 0.055 0.000 1.276 468 C CA -0.262 58.804 59.018 0.080 0.000 1.543 468 C CB 0.786 28.545 27.740 0.032 0.000 2.211 468 C HN 1.017 nan 8.230 nan 0.000 0.493 469 Q N 5.191 125.041 119.800 0.082 0.000 2.309 469 Q HA 0.647 4.987 4.340 -0.000 0.000 0.270 469 Q C -1.853 174.134 176.000 -0.022 0.000 1.023 469 Q CA -0.565 55.258 55.803 0.033 0.000 0.758 469 Q CB 1.054 29.908 28.738 0.193 0.000 1.247 469 Q HN 0.714 nan 8.270 nan 0.000 0.455 470 L N 3.692 124.841 121.223 -0.124 0.000 2.295 470 L HA 0.548 4.888 4.340 -0.000 0.000 0.285 470 L C -0.630 176.225 176.870 -0.024 0.000 1.035 470 L CA -0.564 54.233 54.840 -0.072 0.000 0.806 470 L CB 1.826 43.795 42.059 -0.150 0.000 1.214 470 L HN 0.455 nan 8.230 nan 0.000 0.426 471 V N 3.290 123.263 119.914 0.099 0.000 2.495 471 V HA 0.471 4.591 4.120 -0.000 0.000 0.298 471 V C -0.498 175.706 176.094 0.184 0.000 1.031 471 V CA -0.793 61.585 62.300 0.130 0.000 0.871 471 V CB 1.582 33.442 31.823 0.062 0.000 0.988 471 V HN 0.859 nan 8.190 nan 0.000 0.432 472 N N 2.790 121.602 118.700 0.187 0.000 2.725 472 N HA -0.130 4.610 4.740 -0.000 0.000 0.256 472 N C -0.099 175.349 175.510 -0.104 0.000 1.087 472 N CA 0.412 53.475 53.050 0.022 0.000 0.690 472 N CB -0.581 37.914 38.487 0.014 0.000 0.891 472 N HN 0.610 nan 8.380 nan 0.000 0.553 473 K N 0.550 120.687 120.400 -0.439 0.000 2.543 473 K HA 0.010 4.330 4.320 -0.000 0.000 0.279 473 K C 0.632 177.024 176.600 -0.346 0.000 1.001 473 K CA 0.838 56.722 56.287 -0.672 0.000 1.088 473 K CB 0.240 31.877 32.500 -1.440 0.000 0.863 473 K HN 0.449 nan 8.250 nan 0.000 0.488 474 M N 2.335 121.791 119.600 -0.240 0.000 2.528 474 M HA 0.193 4.673 4.480 -0.000 0.000 0.321 474 M C 0.132 176.347 176.300 -0.141 0.000 1.153 474 M CA -0.707 54.498 55.300 -0.157 0.000 0.951 474 M CB 1.912 34.446 32.600 -0.110 0.000 1.705 474 M HN 0.491 nan 8.290 nan 0.000 0.451 475 E N 1.872 122.005 120.200 -0.112 0.000 2.384 475 E HA -0.005 4.345 4.350 -0.000 0.000 0.266 475 E C -0.620 175.935 176.600 -0.075 0.000 1.012 475 E CA 0.006 56.352 56.400 -0.089 0.000 0.901 475 E CB 0.769 30.422 29.700 -0.077 0.000 0.967 475 E HN 0.489 nan 8.360 nan 0.000 0.435 476 E N 3.986 124.147 120.200 -0.065 0.000 2.376 476 E HA -0.069 4.281 4.350 -0.000 0.000 0.266 476 E C -0.351 176.220 176.600 -0.049 0.000 1.009 476 E CA -0.142 56.224 56.400 -0.058 0.000 0.902 476 E CB 0.439 30.112 29.700 -0.045 0.000 0.972 476 E HN 0.518 nan 8.360 nan 0.000 0.439 477 N N 3.397 122.067 118.700 -0.050 0.000 2.309 477 N HA -0.103 4.637 4.740 -0.000 0.000 0.293 477 N C 0.925 176.412 175.510 -0.039 0.000 1.327 477 N CA 0.418 53.441 53.050 -0.046 0.000 1.054 477 N CB 0.324 38.785 38.487 -0.044 0.000 1.474 477 N HN 0.531 nan 8.380 nan 0.000 0.486 478 T N -1.438 113.091 114.554 -0.041 0.000 2.978 478 T HA 0.125 4.475 4.350 -0.000 0.000 0.262 478 T C 1.467 176.143 174.700 -0.039 0.000 1.063 478 T CA 0.879 62.957 62.100 -0.037 0.000 1.140 478 T CB 0.322 69.166 68.868 -0.039 0.000 0.886 478 T HN 0.512 nan 8.240 nan 0.000 0.470 479 G N 1.198 109.970 108.800 -0.047 0.000 2.232 479 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.226 479 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.226 479 G C 0.116 174.986 174.900 -0.051 0.000 0.996 479 G CA 0.081 45.152 45.100 -0.048 0.000 0.626 479 G HN 0.727 nan 8.290 nan 0.000 0.509 480 K N 1.114 121.483 120.400 -0.051 0.000 2.586 480 K HA 0.245 4.565 4.320 -0.000 0.000 0.280 480 K C 0.701 177.259 176.600 -0.069 0.000 0.972 480 K CA 0.575 56.830 56.287 -0.053 0.000 1.040 480 K CB 0.365 32.833 32.500 -0.053 0.000 0.870 480 K HN 0.209 nan 8.250 nan 0.000 0.497 481 V N 5.112 124.986 119.914 -0.066 0.000 2.546 481 V HA 0.292 4.412 4.120 -0.000 0.000 0.284 481 V C 0.365 176.401 176.094 -0.098 0.000 1.050 481 V CA -0.212 62.037 62.300 -0.085 0.000 0.981 481 V CB 1.097 32.882 31.823 -0.062 0.000 0.990 481 V HN 0.855 nan 8.190 nan 0.000 0.474 482 K N 4.913 125.228 120.400 -0.142 0.000 2.469 482 K HA 0.694 5.014 4.320 -0.000 0.000 0.268 482 K C -3.268 173.216 176.600 -0.193 0.000 1.027 482 K CA -1.966 54.237 56.287 -0.140 0.000 0.893 482 K CB 2.457 34.878 32.500 -0.132 0.000 1.460 482 K HN 0.345 nan 8.250 nan 0.000 0.449 483 P HA 0.228 nan 4.420 nan 0.000 0.281 483 P C -0.758 176.449 177.300 -0.155 0.000 1.249 483 P CA -0.387 62.657 63.100 -0.094 0.000 0.810 483 P CB 0.216 31.911 31.700 -0.008 0.000 1.008 484 F N 1.949 121.879 119.950 -0.032 0.000 2.578 484 F HA 0.056 4.583 4.527 -0.000 0.000 0.381 484 F C 1.613 177.405 175.800 -0.013 0.000 1.069 484 F CA 0.627 58.614 58.000 -0.023 0.000 1.231 484 F CB -0.288 38.697 39.000 -0.026 0.000 1.086 484 F HN 0.360 nan 8.300 nan 0.000 0.564 485 N N 1.917 120.691 118.700 0.123 0.000 2.681 485 N HA 0.325 5.065 4.740 -0.000 0.000 0.311 485 N C 0.912 176.483 175.510 0.103 0.000 1.303 485 N CA -0.699 52.404 53.050 0.088 0.000 0.926 485 N CB 0.400 38.916 38.487 0.047 0.000 1.136 485 N HN 0.469 nan 8.380 nan 0.000 0.592 486 R N -0.904 119.641 120.500 0.075 0.000 2.115 486 R HA 0.016 4.356 4.340 -0.000 0.000 0.230 486 R C 0.776 177.129 176.300 0.088 0.000 1.111 486 R CA 1.043 57.184 56.100 0.070 0.000 0.976 486 R CB -0.432 29.897 30.300 0.049 0.000 0.870 486 R HN 0.553 nan 8.270 nan 0.000 0.445 487 N N 0.878 119.635 118.700 0.096 0.000 2.205 487 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 487 N C 0.966 176.562 175.510 0.144 0.000 1.015 487 N CA 1.458 54.578 53.050 0.118 0.000 0.862 487 N CB -0.128 38.427 38.487 0.114 0.000 0.986 487 N HN 0.246 nan 8.380 nan 0.000 0.429 488 D N 0.307 120.797 120.400 0.149 0.000 2.123 488 D HA -0.080 4.560 4.640 -0.000 0.000 0.200 488 D C 1.515 177.932 176.300 0.194 0.000 0.976 488 D CA 0.793 54.913 54.000 0.200 0.000 0.831 488 D CB -0.173 40.824 40.800 0.328 0.000 0.974 488 D HN 0.465 nan 8.370 nan 0.000 0.469 489 E N 0.928 121.210 120.200 0.138 0.000 2.072 489 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 489 E C 2.172 178.825 176.600 0.088 0.000 0.985 489 E CA 0.608 57.057 56.400 0.082 0.000 0.801 489 E CB -0.097 29.630 29.700 0.045 0.000 0.750 489 E HN 0.335 nan 8.360 nan 0.000 0.452 490 Q N 0.057 119.918 119.800 0.101 0.000 2.061 490 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 490 Q C 1.994 178.064 176.000 0.116 0.000 0.984 490 Q CA 1.572 57.426 55.803 0.086 0.000 0.846 490 Q CB -0.211 28.584 28.738 0.095 0.000 0.902 490 Q HN 0.242 nan 8.270 nan 0.000 0.421 491 F N 0.584 120.554 119.950 0.034 0.000 2.084 491 F HA -0.222 4.305 4.527 -0.000 0.000 0.296 491 F C 2.020 177.873 175.800 0.089 0.000 1.111 491 F CA 0.967 58.989 58.000 0.035 0.000 1.224 491 F CB -0.234 38.761 39.000 -0.009 0.000 0.991 491 F HN 0.061 nan 8.300 nan 0.000 0.471 492 L N 0.884 122.321 121.223 0.356 0.000 2.079 492 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 492 L C 2.279 179.227 176.870 0.130 0.000 1.081 492 L CA 1.938 56.945 54.840 0.280 0.000 0.752 492 L CB -1.074 41.097 42.059 0.188 0.000 0.896 492 L HN 0.302 nan 8.230 nan 0.000 0.433 493 E N -0.962 119.273 120.200 0.057 0.000 2.118 493 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 493 E C 1.966 178.528 176.600 -0.063 0.000 0.992 493 E CA 1.268 57.657 56.400 -0.018 0.000 0.804 493 E CB -0.050 29.627 29.700 -0.038 0.000 0.741 493 E HN 0.650 nan 8.360 nan 0.000 0.458 494 A N 0.114 122.899 122.820 -0.058 0.000 1.943 494 A HA -0.058 4.262 4.320 -0.000 0.000 0.213 494 A C 1.797 179.398 177.584 0.028 0.000 1.181 494 A CA 0.256 52.250 52.037 -0.071 0.000 0.653 494 A CB -0.480 18.505 19.000 -0.025 0.000 0.833 494 A HN 0.358 nan 8.150 nan 0.000 0.451 495 F N 1.596 121.458 119.950 -0.147 0.000 2.102 495 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 495 F C 2.322 178.123 175.800 0.002 0.000 1.105 495 F CA 2.018 59.991 58.000 -0.044 0.000 1.239 495 F CB -0.491 38.472 39.000 -0.061 0.000 0.991 495 F HN 0.130 nan 8.300 nan 0.000 0.474 496 V N -1.157 118.690 119.914 -0.112 0.000 2.759 496 V HA -0.180 3.940 4.120 -0.000 0.000 0.256 496 V C 2.314 178.291 176.094 -0.195 0.000 1.080 496 V CA 1.506 63.673 62.300 -0.221 0.000 1.101 496 V CB -1.142 30.616 31.823 -0.108 0.000 0.698 496 V HN 0.412 nan 8.190 nan 0.000 0.477 497 I N -0.087 120.355 120.570 -0.213 0.000 2.118 497 I HA -0.241 3.929 4.170 -0.000 0.000 0.241 497 I C 2.538 178.515 176.117 -0.233 0.000 1.070 497 I CA 2.442 63.581 61.300 -0.267 0.000 1.327 497 I CB -0.488 37.268 38.000 -0.407 0.000 1.034 497 I HN 0.278 nan 8.210 nan 0.000 0.405 498 F N 0.024 119.969 119.950 -0.009 0.000 2.163 498 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 498 F C 2.798 178.435 175.800 -0.271 0.000 1.094 498 F CA 0.726 58.713 58.000 -0.022 0.000 1.290 498 F CB -0.837 38.154 39.000 -0.016 0.000 1.017 498 F HN 0.160 nan 8.300 nan 0.000 0.483 499 C N 0.574 119.687 119.300 -0.312 0.000 2.385 499 C HA -0.221 4.239 4.460 -0.000 0.000 0.275 499 C C 3.114 178.003 174.990 -0.168 0.000 1.207 499 C CA 1.270 60.062 59.018 -0.376 0.000 1.760 499 C CB -1.780 25.664 27.740 -0.494 0.000 2.051 499 C HN 0.691 nan 8.230 nan 0.000 0.467 500 G N 0.436 109.178 108.800 -0.096 0.000 2.453 500 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.215 500 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.215 500 G C 1.491 176.415 174.900 0.040 0.000 1.201 500 G CA 0.809 45.893 45.100 -0.027 0.000 0.784 500 G HN 0.537 nan 8.290 nan 0.000 0.545 501 L N 0.915 122.205 121.223 0.111 0.000 2.034 501 L HA -0.181 4.159 4.340 -0.000 0.000 0.217 501 L C 3.119 180.144 176.870 0.259 0.000 1.077 501 L CA 1.531 56.502 54.840 0.219 0.000 0.769 501 L CB -0.929 41.365 42.059 0.391 0.000 0.890 501 L HN 0.377 nan 8.230 nan 0.000 0.435 502 G N -0.000 108.920 108.800 0.200 0.000 2.404 502 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.215 502 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.215 502 G C 1.556 176.482 174.900 0.043 0.000 1.174 502 G CA 0.508 45.669 45.100 0.101 0.000 0.780 502 G HN 0.268 nan 8.290 nan 0.000 0.537 503 I N 0.873 121.440 120.570 -0.004 0.000 2.315 503 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 503 I C 2.844 178.984 176.117 0.038 0.000 1.117 503 I CA 1.538 62.837 61.300 -0.002 0.000 1.404 503 I CB -0.458 37.530 38.000 -0.020 0.000 1.071 503 I HN 0.367 nan 8.210 nan 0.000 0.419 504 Q N 1.688 121.520 119.800 0.053 0.000 2.119 504 Q HA -0.203 4.137 4.340 -0.000 0.000 0.201 504 Q C 1.540 177.584 176.000 0.073 0.000 0.972 504 Q CA 1.887 57.726 55.803 0.060 0.000 0.847 504 Q CB -0.081 28.692 28.738 0.057 0.000 0.903 504 Q HN 0.481 nan 8.270 nan 0.000 0.433 505 N N -0.502 118.254 118.700 0.093 0.000 2.457 505 N HA -0.033 4.707 4.740 -0.000 0.000 0.180 505 N C 1.131 176.709 175.510 0.114 0.000 1.050 505 N CA 1.430 54.541 53.050 0.102 0.000 0.906 505 N CB 0.226 38.784 38.487 0.117 0.000 0.968 505 N HN 0.213 nan 8.380 nan 0.000 0.445 506 T N 0.125 114.737 114.554 0.097 0.000 2.978 506 T HA -0.031 4.319 4.350 -0.000 0.000 0.262 506 T C 1.635 176.409 174.700 0.122 0.000 1.063 506 T CA 0.755 62.917 62.100 0.103 0.000 1.140 506 T CB -0.044 68.853 68.868 0.049 0.000 0.886 506 T HN 0.252 nan 8.240 nan 0.000 0.470 507 Q N 0.343 120.195 119.800 0.088 0.000 2.119 507 Q HA -0.026 4.313 4.340 -0.000 0.000 0.201 507 Q C 2.320 178.363 176.000 0.071 0.000 0.972 507 Q CA 0.991 56.839 55.803 0.074 0.000 0.847 507 Q CB -0.219 28.555 28.738 0.059 0.000 0.903 507 Q HN 0.383 nan 8.270 nan 0.000 0.433 508 M N -0.415 119.232 119.600 0.079 0.000 2.065 508 M HA -0.223 4.257 4.480 -0.000 0.000 0.259 508 M C 2.152 178.487 176.300 0.060 0.000 1.069 508 M CA 1.643 56.982 55.300 0.064 0.000 1.110 508 M CB -1.207 31.437 32.600 0.074 0.000 1.328 508 M HN 0.253 nan 8.290 nan 0.000 0.405 509 Y N 1.445 121.757 120.300 0.020 0.000 2.181 509 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 509 Y C 2.221 178.130 175.900 0.016 0.000 1.146 509 Y CA 1.856 59.966 58.100 0.017 0.000 1.164 509 Y CB -0.225 38.246 38.460 0.018 0.000 0.982 509 Y HN 0.363 nan 8.280 nan 0.000 0.515 510 E N -0.108 120.136 120.200 0.073 0.000 2.153 510 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 510 E C 2.338 178.900 176.600 -0.063 0.000 0.988 510 E CA 0.731 57.138 56.400 0.012 0.000 0.811 510 E CB -0.265 29.483 29.700 0.080 0.000 0.746 510 E HN 0.598 nan 8.360 nan 0.000 0.466 511 A N 1.276 124.068 122.820 -0.047 0.000 1.845 511 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 511 A C 2.567 180.098 177.584 -0.088 0.000 1.195 511 A CA 1.721 53.731 52.037 -0.046 0.000 0.616 511 A CB -0.904 18.085 19.000 -0.019 0.000 0.832 511 A HN 0.139 nan 8.150 nan 0.000 0.443 512 V N -0.058 119.774 119.914 -0.135 0.000 2.469 512 V HA -0.248 3.872 4.120 -0.000 0.000 0.251 512 V C 2.451 178.429 176.094 -0.195 0.000 1.064 512 V CA 2.385 64.592 62.300 -0.156 0.000 1.066 512 V CB -1.059 30.657 31.823 -0.179 0.000 0.667 512 V HN 0.606 nan 8.190 nan 0.000 0.461 513 E N 0.706 120.734 120.200 -0.288 0.000 2.077 513 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 513 E C 2.392 178.927 176.600 -0.107 0.000 0.989 513 E CA 1.473 57.735 56.400 -0.229 0.000 0.800 513 E CB -0.271 29.276 29.700 -0.255 0.000 0.746 513 E HN 0.492 nan 8.360 nan 0.000 0.452 514 R N -0.526 119.926 120.500 -0.080 0.000 2.073 514 R HA -0.021 4.319 4.340 -0.000 0.000 0.234 514 R C 2.006 178.282 176.300 -0.041 0.000 1.134 514 R CA 1.224 57.298 56.100 -0.042 0.000 0.952 514 R CB -0.368 29.916 30.300 -0.026 0.000 0.850 514 R HN 0.159 nan 8.270 nan 0.000 0.433 515 A N 0.083 122.872 122.820 -0.052 0.000 2.258 515 A HA -0.052 4.268 4.320 -0.000 0.000 0.206 515 A C 1.617 179.177 177.584 -0.040 0.000 1.222 515 A CA 0.691 52.704 52.037 -0.040 0.000 0.822 515 A CB -0.234 18.741 19.000 -0.041 0.000 0.804 515 A HN 0.330 nan 8.150 nan 0.000 0.483 516 M N -2.465 117.108 119.600 -0.046 0.000 2.260 516 M HA 0.278 4.758 4.480 -0.000 0.000 0.295 516 M C 1.611 177.895 176.300 -0.026 0.000 1.042 516 M CA 0.900 56.177 55.300 -0.038 0.000 1.116 516 M CB 0.456 33.026 32.600 -0.050 0.000 1.796 516 M HN 0.314 nan 8.290 nan 0.000 0.617 517 A N 0.713 123.518 122.820 -0.025 0.000 2.206 517 A HA -0.028 4.292 4.320 -0.000 0.000 0.211 517 A C 1.935 179.513 177.584 -0.010 0.000 1.158 517 A CA 0.928 52.956 52.037 -0.014 0.000 0.761 517 A CB -0.326 18.668 19.000 -0.011 0.000 0.801 517 A HN 0.475 nan 8.150 nan 0.000 0.473 518 K N -0.490 119.902 120.400 -0.013 0.000 2.044 518 K HA -0.034 4.286 4.320 -0.000 0.000 0.204 518 K C 2.203 178.798 176.600 -0.008 0.000 1.045 518 K CA 0.594 56.876 56.287 -0.009 0.000 0.951 518 K CB -0.101 32.393 32.500 -0.010 0.000 0.738 518 K HN 0.289 nan 8.250 nan 0.000 0.443 519 R N 1.147 121.641 120.500 -0.010 0.000 2.061 519 R HA -0.016 4.324 4.340 -0.000 0.000 0.230 519 R C 1.085 177.381 176.300 -0.006 0.000 1.140 519 R CA 1.064 57.160 56.100 -0.008 0.000 0.940 519 R CB -1.144 29.150 30.300 -0.010 0.000 0.839 519 R HN 0.358 nan 8.270 nan 0.000 0.429 520 N N 0.000 118.696 118.700 -0.007 0.000 1.763 520 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 520 N CA 0.000 53.047 53.050 -0.005 0.000 0.885 520 N CB 0.000 38.483 38.487 -0.006 0.000 1.341 520 N HN 0.000 nan 8.380 nan 0.000 0.667