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 1t9d_1_B DATA FIRST_RESID 86 DATA SEQUENCE DTSFVGLTGG QIFNEMMSRQ NVDTVFGYPG GAILPVYDAI HNSDKFNFVL DATA SEQUENCE PKHEQGAGHM AEGYARASGK PGVVLVTSGP GATNVVTPMA DAFADGIPMV DATA SEQUENCE VFTGQVPTSA IGTDAFQEAD VVGISRSCTK WNVMVKSVEE LPLRINEAFE DATA SEQUENCE IATSGRPGPV LVDLPKDVTA AILRNPIPXX XXXXXXXXXX XXXXXXXXFV DATA SEQUENCE MQSINKAADL INLAKKPVLY VGAGILNHAD GPRLLKELSD RAQIPVTTTL DATA SEQUENCE QGLGSFDQED PKSLDMLGMH GCATANLAVQ NADLIIAVGA RFDDRVTGNI DATA SEQUENCE SKFAPEARRA AAEGRGGIIH FEVSPKNINK VVQTQIAVEG DATTNLGKMM DATA SEQUENCE SKIFPVKERS EWFAQINKWK KEYPYAYMEE TPGSKIKPQT VIKKLSKVAN DATA SEQUENCE DTGRHVIVTT GVGQHQMWAA QHWTWRNPHT FITSGGLGTM GYGLPAAIGA DATA SEQUENCE QVAKPESLVI DIDGDASFNM TLTELSSAVQ AGTPVKILIL NNEEQGMVTQ DATA SEQUENCE WQSLFYEHRY SHTHQLNPDF IKLAEAMGLK GLRVKKQEEL DAKLKEFVST DATA SEQUENCE KGPVLLEVEV DKKVPVLPMV AGGSGLDEFI NFDPEVERQQ TELRHKRTGG DATA SEQUENCE KH 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 86 D HA 0.000 nan 4.640 nan 0.000 0.175 86 D C 0.000 176.248 176.300 -0.087 0.000 2.045 86 D CA 0.000 53.938 54.000 -0.103 0.000 0.868 86 D CB 0.000 40.695 40.800 -0.175 0.000 0.688 87 T N -0.117 114.377 114.554 -0.100 0.000 3.332 87 T HA 0.287 4.637 4.350 0.000 0.000 0.304 87 T C 1.116 175.779 174.700 -0.062 0.000 0.971 87 T CA 0.662 62.730 62.100 -0.052 0.000 0.954 87 T CB -0.158 68.695 68.868 -0.025 0.000 1.175 87 T HN 0.320 nan 8.240 nan 0.000 0.519 88 S N -0.566 115.033 115.700 -0.167 0.000 2.489 88 S HA 0.192 4.662 4.470 0.000 0.000 0.228 88 S C 1.508 176.114 174.600 0.011 0.000 0.995 88 S CA 0.249 58.359 58.200 -0.149 0.000 0.934 88 S CB -0.734 62.297 63.200 -0.280 0.000 0.771 88 S HN 0.552 nan 8.310 nan 0.000 0.522 89 F N 1.451 121.406 119.950 0.008 0.000 2.656 89 F HA 0.274 4.801 4.527 0.000 0.000 0.291 89 F C 0.676 176.484 175.800 0.014 0.000 1.122 89 F CA -0.655 57.352 58.000 0.012 0.000 1.427 89 F CB 0.220 39.230 39.000 0.017 0.000 1.125 89 F HN -0.041 nan 8.300 nan 0.000 0.583 90 V N 1.403 121.428 119.914 0.186 0.000 2.681 90 V HA 0.021 4.141 4.120 0.000 0.000 0.306 90 V C 1.204 177.353 176.094 0.091 0.000 1.077 90 V CA 1.596 63.963 62.300 0.111 0.000 1.224 90 V CB -0.188 31.674 31.823 0.066 0.000 0.879 90 V HN 0.687 nan 8.190 nan 0.000 0.494 91 G N 3.548 112.390 108.800 0.070 0.000 2.195 91 G HA2 -0.208 3.752 3.960 0.000 0.000 0.246 91 G HA3 -0.208 3.752 3.960 0.000 0.000 0.246 91 G C -0.058 174.871 174.900 0.049 0.000 0.984 91 G CA 0.109 45.240 45.100 0.052 0.000 0.633 91 G HN 0.563 nan 8.290 nan 0.000 0.525 92 L N 1.667 122.927 121.223 0.061 0.000 2.360 92 L HA 0.636 4.976 4.340 0.000 0.000 0.271 92 L C 1.450 178.326 176.870 0.009 0.000 1.057 92 L CA -0.365 54.496 54.840 0.034 0.000 0.803 92 L CB 1.546 43.623 42.059 0.031 0.000 1.207 92 L HN 0.357 nan 8.230 nan 0.000 0.445 93 T N -1.642 112.909 114.554 -0.005 0.000 2.828 93 T HA 0.178 4.528 4.350 0.000 0.000 0.290 93 T C 1.287 175.969 174.700 -0.029 0.000 1.019 93 T CA -0.123 61.972 62.100 -0.009 0.000 1.031 93 T CB 1.407 70.270 68.868 -0.007 0.000 1.001 93 T HN 0.712 nan 8.240 nan 0.000 0.531 94 G N 0.266 109.054 108.800 -0.021 0.000 2.442 94 G HA2 -0.011 3.949 3.960 0.000 0.000 0.219 94 G HA3 -0.011 3.949 3.960 0.000 0.000 0.219 94 G C 1.554 176.439 174.900 -0.024 0.000 1.141 94 G CA 0.604 45.689 45.100 -0.025 0.000 0.763 94 G HN 1.025 nan 8.290 nan 0.000 0.554 95 G N 0.167 108.953 108.800 -0.023 0.000 2.418 95 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 95 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 95 G C 1.792 176.710 174.900 0.030 0.000 1.158 95 G CA 1.011 46.104 45.100 -0.011 0.000 0.771 95 G HN 0.515 nan 8.290 nan 0.000 0.545 96 Q N -0.316 119.476 119.800 -0.013 0.000 2.167 96 Q HA 0.067 4.407 4.340 0.000 0.000 0.202 96 Q C 2.547 178.480 176.000 -0.113 0.000 0.970 96 Q CA 0.683 56.469 55.803 -0.029 0.000 0.855 96 Q CB -0.137 28.585 28.738 -0.026 0.000 0.911 96 Q HN 0.525 nan 8.270 nan 0.000 0.438 97 I N -0.087 120.360 120.570 -0.204 0.000 2.315 97 I HA -0.241 3.929 4.170 0.000 0.000 0.248 97 I C 2.060 177.991 176.117 -0.310 0.000 1.117 97 I CA 0.844 61.848 61.300 -0.494 0.000 1.404 97 I CB -0.192 37.498 38.000 -0.516 0.000 1.071 97 I HN 0.177 nan 8.210 nan 0.000 0.419 98 F N 1.881 121.680 119.950 -0.253 0.000 2.102 98 F HA -0.262 4.265 4.527 0.000 0.000 0.298 98 F C 2.291 177.993 175.800 -0.163 0.000 1.105 98 F CA 1.971 59.835 58.000 -0.227 0.000 1.239 98 F CB -0.564 38.289 39.000 -0.246 0.000 0.991 98 F HN 0.082 nan 8.300 nan 0.000 0.474 99 N N -0.130 118.574 118.700 0.007 0.000 2.069 99 N HA -0.218 4.522 4.740 0.000 0.000 0.191 99 N C 1.709 177.192 175.510 -0.045 0.000 1.031 99 N CA 1.504 54.578 53.050 0.040 0.000 0.852 99 N CB -0.086 38.452 38.487 0.085 0.000 1.018 99 N HN 0.313 nan 8.380 nan 0.000 0.423 100 E N 0.509 120.652 120.200 -0.094 0.000 2.072 100 E HA -0.125 4.225 4.350 0.000 0.000 0.191 100 E C 2.093 178.659 176.600 -0.057 0.000 0.985 100 E CA 0.735 57.114 56.400 -0.033 0.000 0.801 100 E CB -0.249 29.471 29.700 0.034 0.000 0.750 100 E HN 0.480 nan 8.360 nan 0.000 0.452 101 M N 0.031 119.527 119.600 -0.173 0.000 2.159 101 M HA -0.085 4.395 4.480 0.000 0.000 0.263 101 M C 2.096 178.222 176.300 -0.289 0.000 1.063 101 M CA 1.061 56.255 55.300 -0.178 0.000 1.110 101 M CB -0.766 31.713 32.600 -0.201 0.000 1.374 101 M HN 0.101 nan 8.290 nan 0.000 0.411 102 M N -0.853 118.506 119.600 -0.402 0.000 2.149 102 M HA -0.133 4.347 4.480 0.000 0.000 0.261 102 M C 2.417 178.603 176.300 -0.191 0.000 1.064 102 M CA 1.422 56.481 55.300 -0.401 0.000 1.102 102 M CB -1.747 30.546 32.600 -0.512 0.000 1.369 102 M HN 0.302 nan 8.290 nan 0.000 0.408 103 S N 0.138 115.793 115.700 -0.075 0.000 2.368 103 S HA -0.083 4.387 4.470 0.000 0.000 0.224 103 S C 2.034 176.597 174.600 -0.061 0.000 1.029 103 S CA 1.002 59.191 58.200 -0.018 0.000 0.988 103 S CB 0.010 63.218 63.200 0.014 0.000 0.838 103 S HN 0.460 nan 8.310 nan 0.000 0.462 104 R N 0.211 120.663 120.500 -0.080 0.000 2.115 104 R HA 0.077 4.417 4.340 0.000 0.000 0.230 104 R C 1.922 178.128 176.300 -0.157 0.000 1.111 104 R CA 0.951 57.001 56.100 -0.083 0.000 0.976 104 R CB -0.167 30.108 30.300 -0.041 0.000 0.870 104 R HN 0.405 nan 8.270 nan 0.000 0.445 105 Q N 0.361 119.991 119.800 -0.283 0.000 2.415 105 Q HA -0.006 4.334 4.340 0.000 0.000 0.206 105 Q C -0.160 175.688 176.000 -0.254 0.000 0.946 105 Q CA 0.080 55.622 55.803 -0.435 0.000 0.951 105 Q CB -0.203 27.898 28.738 -1.062 0.000 1.026 105 Q HN 0.409 nan 8.270 nan 0.000 0.510 106 N N -0.196 118.420 118.700 -0.140 0.000 2.758 106 N HA -0.160 4.580 4.740 0.000 0.000 0.248 106 N C -1.054 174.449 175.510 -0.012 0.000 1.076 106 N CA -0.197 52.822 53.050 -0.052 0.000 0.696 106 N CB -0.557 37.911 38.487 -0.031 0.000 0.979 106 N HN -0.067 nan 8.380 nan 0.000 0.550 107 V N 1.684 121.576 119.914 -0.038 0.000 2.461 107 V HA 0.110 4.230 4.120 0.000 0.000 0.275 107 V C 0.987 177.120 176.094 0.066 0.000 1.047 107 V CA 0.628 62.930 62.300 0.003 0.000 0.955 107 V CB 1.476 33.233 31.823 -0.110 0.000 0.988 107 V HN 0.429 nan 8.190 nan 0.000 0.471 108 D N 1.530 121.986 120.400 0.093 0.000 2.441 108 D HA 0.134 4.774 4.640 0.000 0.000 0.210 108 D C 0.294 176.638 176.300 0.074 0.000 1.102 108 D CA 0.036 54.112 54.000 0.126 0.000 0.840 108 D CB 0.585 41.461 40.800 0.127 0.000 0.990 108 D HN 0.506 nan 8.370 nan 0.000 0.505 109 T N -0.239 114.255 114.554 -0.100 0.000 2.956 109 T HA 0.554 4.904 4.350 0.000 0.000 0.312 109 T C -1.287 173.101 174.700 -0.520 0.000 1.151 109 T CA -0.684 61.205 62.100 -0.351 0.000 1.024 109 T CB 2.513 70.998 68.868 -0.639 0.000 1.140 109 T HN -0.147 nan 8.240 nan 0.000 0.473 110 V N 3.143 122.692 119.914 -0.609 0.000 2.577 110 V HA 0.598 4.718 4.120 0.000 0.000 0.303 110 V C -1.352 174.176 176.094 -0.944 0.000 1.042 110 V CA -0.907 61.054 62.300 -0.564 0.000 0.872 110 V CB 1.457 33.053 31.823 -0.379 0.000 0.998 110 V HN 0.830 nan 8.190 nan 0.000 0.423 111 F N 2.738 122.443 119.950 -0.409 0.000 2.427 111 F HA 0.902 5.429 4.527 0.000 0.000 0.346 111 F C 0.813 176.456 175.800 -0.262 0.000 1.120 111 F CA -0.278 57.476 58.000 -0.410 0.000 1.033 111 F CB 2.033 40.910 39.000 -0.206 0.000 1.126 111 F HN 0.681 nan 8.300 nan 0.000 0.462 112 G N 1.552 110.291 108.800 -0.102 0.000 2.495 112 G HA2 0.452 4.412 3.960 0.000 0.000 0.294 112 G HA3 0.452 4.412 3.960 0.000 0.000 0.294 112 G C -2.714 172.508 174.900 0.536 0.000 1.397 112 G CA -0.713 44.576 45.100 0.314 0.000 0.790 112 G HN 0.421 nan 8.290 nan 0.000 0.486 113 Y N 1.485 122.005 120.300 0.367 0.000 2.386 113 Y HA 0.613 5.163 4.550 0.000 0.000 0.334 113 Y C -2.244 173.641 175.900 -0.026 0.000 1.002 113 Y CA -1.671 56.538 58.100 0.181 0.000 1.068 113 Y CB 3.104 41.606 38.460 0.070 0.000 1.203 113 Y HN 0.510 nan 8.280 nan 0.000 0.443 114 P HA 0.498 nan 4.420 nan 0.000 0.274 114 P C -0.609 176.492 177.300 -0.330 0.000 1.246 114 P CA 0.053 62.591 63.100 -0.937 0.000 0.795 114 P CB 1.745 32.731 31.700 -1.190 0.000 1.006 115 G N -1.278 107.353 108.800 -0.282 0.000 2.523 115 G HA2 0.427 4.387 3.960 0.000 0.000 0.291 115 G HA3 0.427 4.387 3.960 0.000 0.000 0.291 115 G C 0.661 175.511 174.900 -0.084 0.000 1.450 115 G CA -0.094 44.943 45.100 -0.106 0.000 0.790 115 G HN 0.483 nan 8.290 nan 0.000 0.496 116 G N 0.367 109.145 108.800 -0.037 0.000 2.553 116 G HA2 0.063 4.023 3.960 0.000 0.000 0.218 116 G HA3 0.063 4.023 3.960 0.000 0.000 0.218 116 G C 2.087 176.987 174.900 -0.001 0.000 1.195 116 G CA 2.308 47.408 45.100 -0.001 0.000 0.779 116 G HN 1.623 nan 8.290 nan 0.000 0.577 117 A N -0.089 122.724 122.820 -0.011 0.000 2.024 117 A HA 0.067 4.387 4.320 0.000 0.000 0.220 117 A C 2.168 179.755 177.584 0.004 0.000 1.164 117 A CA 1.508 53.541 52.037 -0.006 0.000 0.643 117 A CB -0.214 18.770 19.000 -0.027 0.000 0.806 117 A HN 0.458 nan 8.150 nan 0.000 0.451 118 I N -0.661 119.921 120.570 0.020 0.000 3.904 118 I HA 0.185 4.355 4.170 0.000 0.000 0.333 118 I C 1.454 177.641 176.117 0.116 0.000 1.361 118 I CA -0.008 61.330 61.300 0.064 0.000 1.116 118 I CB -0.206 37.878 38.000 0.139 0.000 1.028 118 I HN 0.248 nan 8.210 nan 0.000 0.398 119 L N 1.280 122.533 121.223 0.050 0.000 2.079 119 L HA -0.132 4.208 4.340 0.000 0.000 0.210 119 L C -0.348 176.551 176.870 0.049 0.000 1.081 119 L CA 1.496 56.364 54.840 0.046 0.000 0.752 119 L CB -1.777 40.279 42.059 -0.006 0.000 0.896 119 L HN 0.262 nan 8.230 nan 0.000 0.433 120 P HA -0.121 nan 4.420 nan 0.000 0.218 120 P C 1.838 179.127 177.300 -0.019 0.000 1.149 120 P CA 1.035 64.133 63.100 -0.004 0.000 0.817 120 P CB 0.135 31.826 31.700 -0.015 0.000 0.785 121 V N -2.059 117.825 119.914 -0.049 0.000 2.407 121 V HA -0.205 3.915 4.120 0.000 0.000 0.245 121 V C 2.038 178.055 176.094 -0.128 0.000 1.041 121 V CA 1.528 63.735 62.300 -0.155 0.000 1.040 121 V CB -1.384 30.199 31.823 -0.399 0.000 0.671 121 V HN 0.029 nan 8.190 nan 0.000 0.455 122 Y N 0.709 120.952 120.300 -0.096 0.000 2.333 122 Y HA -0.222 4.328 4.550 0.000 0.000 0.290 122 Y C 2.360 178.220 175.900 -0.067 0.000 1.144 122 Y CA 1.934 59.980 58.100 -0.090 0.000 1.228 122 Y CB -0.272 38.114 38.460 -0.124 0.000 0.985 122 Y HN 0.367 nan 8.280 nan 0.000 0.542 123 D N -0.622 119.813 120.400 0.057 0.000 2.149 123 D HA -0.117 4.523 4.640 0.000 0.000 0.201 123 D C 2.176 178.498 176.300 0.036 0.000 0.972 123 D CA 1.153 55.161 54.000 0.014 0.000 0.835 123 D CB -0.134 40.660 40.800 -0.011 0.000 0.966 123 D HN 0.206 nan 8.370 nan 0.000 0.476 124 A N 0.362 123.196 122.820 0.022 0.000 2.066 124 A HA -0.001 4.319 4.320 0.000 0.000 0.218 124 A C 2.176 179.785 177.584 0.041 0.000 1.157 124 A CA 1.123 53.178 52.037 0.030 0.000 0.670 124 A CB -0.831 18.185 19.000 0.027 0.000 0.804 124 A HN 0.552 nan 8.150 nan 0.000 0.453 125 I N -4.512 116.082 120.570 0.041 0.000 3.956 125 I HA 0.188 4.358 4.170 0.000 0.000 0.333 125 I C 0.756 176.855 176.117 -0.030 0.000 1.302 125 I CA -0.442 60.878 61.300 0.033 0.000 1.122 125 I CB -0.454 37.642 38.000 0.160 0.000 1.013 125 I HN 0.287 nan 8.210 nan 0.000 0.405 126 H N 4.033 123.046 119.070 -0.095 0.000 3.125 126 H HA -0.066 4.490 4.556 0.000 0.000 0.310 126 H C 0.179 175.437 175.328 -0.117 0.000 0.980 126 H CA 0.735 56.722 56.048 -0.102 0.000 1.422 126 H CB 0.460 30.183 29.762 -0.065 0.000 1.432 126 H HN 0.454 nan 8.280 nan 0.000 0.577 127 N N 2.295 120.729 118.700 -0.444 0.000 2.681 127 N HA -0.250 4.490 4.740 0.000 0.000 0.250 127 N C -0.068 175.265 175.510 -0.296 0.000 1.133 127 N CA 1.180 53.985 53.050 -0.409 0.000 0.732 127 N CB -1.129 37.048 38.487 -0.517 0.000 1.107 127 N HN 0.532 nan 8.380 nan 0.000 0.559 128 S N 0.867 116.380 115.700 -0.312 0.000 2.563 128 S HA 0.020 4.490 4.470 0.000 0.000 0.284 128 S C 1.024 175.378 174.600 -0.411 0.000 1.331 128 S CA 0.389 58.358 58.200 -0.385 0.000 1.047 128 S CB 0.599 63.437 63.200 -0.604 0.000 0.859 128 S HN 0.335 nan 8.310 nan 0.000 0.514 129 D N 2.566 122.769 120.400 -0.328 0.000 2.479 129 D HA 0.134 4.774 4.640 0.000 0.000 0.218 129 D C 0.618 176.778 176.300 -0.232 0.000 1.177 129 D CA -0.190 53.663 54.000 -0.245 0.000 0.830 129 D CB 0.056 40.765 40.800 -0.152 0.000 1.014 129 D HN 0.541 nan 8.370 nan 0.000 0.503 130 K N 0.059 120.252 120.400 -0.346 0.000 2.400 130 K HA 0.170 4.490 4.320 0.000 0.000 0.194 130 K C -0.143 176.441 176.600 -0.027 0.000 1.033 130 K CA 0.440 56.629 56.287 -0.164 0.000 1.021 130 K CB 0.253 32.714 32.500 -0.065 0.000 0.808 130 K HN 0.239 nan 8.250 nan 0.000 0.505 131 F N -2.086 117.841 119.950 -0.038 0.000 2.744 131 F HA 0.316 4.843 4.527 0.000 0.000 0.311 131 F C -1.428 174.354 175.800 -0.029 0.000 1.144 131 F CA -1.595 56.381 58.000 -0.040 0.000 0.938 131 F CB 0.456 39.424 39.000 -0.053 0.000 1.292 131 F HN -0.292 nan 8.300 nan 0.000 0.444 132 N N 0.326 119.146 118.700 0.201 0.000 2.493 132 N HA 0.582 5.322 4.740 0.000 0.000 0.275 132 N C -1.909 173.724 175.510 0.205 0.000 1.186 132 N CA -0.580 52.538 53.050 0.112 0.000 0.978 132 N CB 1.338 39.835 38.487 0.017 0.000 1.184 132 N HN 0.562 nan 8.380 nan 0.000 0.487 133 F N 1.400 121.352 119.950 0.003 0.000 2.529 133 F HA 0.481 5.008 4.527 0.000 0.000 0.320 133 F C -1.058 174.688 175.800 -0.090 0.000 1.118 133 F CA -0.703 57.286 58.000 -0.019 0.000 0.915 133 F CB 1.100 40.149 39.000 0.082 0.000 1.161 133 F HN 0.059 nan 8.300 nan 0.000 0.445 134 V N 6.979 126.489 119.914 -0.673 0.000 2.409 134 V HA 0.401 4.521 4.120 0.000 0.000 0.291 134 V C -0.924 175.037 176.094 -0.223 0.000 1.020 134 V CA -0.767 61.340 62.300 -0.322 0.000 0.848 134 V CB 1.491 33.107 31.823 -0.346 0.000 0.990 134 V HN 0.613 nan 8.190 nan 0.000 0.430 135 L N 9.641 130.935 121.223 0.117 0.000 2.287 135 L HA 0.754 5.094 4.340 0.000 0.000 0.287 135 L C -2.181 174.825 176.870 0.226 0.000 1.022 135 L CA -1.178 53.811 54.840 0.247 0.000 0.814 135 L CB 1.726 43.966 42.059 0.302 0.000 1.217 135 L HN 0.457 nan 8.230 nan 0.000 0.420 136 P HA 0.375 nan 4.420 nan 0.000 0.314 136 P C -0.710 176.779 177.300 0.314 0.000 1.306 136 P CA -0.443 62.806 63.100 0.248 0.000 0.782 136 P CB 1.444 33.272 31.700 0.214 0.000 1.337 137 K N -1.764 118.765 120.400 0.215 0.000 2.352 137 K HA 0.118 4.438 4.320 0.000 0.000 0.194 137 K C 0.494 177.113 176.600 0.032 0.000 1.038 137 K CA 0.775 57.175 56.287 0.188 0.000 1.023 137 K CB -0.095 32.482 32.500 0.130 0.000 0.840 137 K HN 0.569 nan 8.250 nan 0.000 0.519 138 H N 0.143 119.161 119.070 -0.088 0.000 2.865 138 H HA 0.178 4.734 4.556 0.000 0.000 0.362 138 H C -0.058 175.186 175.328 -0.140 0.000 1.114 138 H CA -0.103 55.828 56.048 -0.195 0.000 1.208 138 H CB 1.821 31.512 29.762 -0.118 0.000 1.727 138 H HN -0.214 nan 8.280 nan 0.000 0.534 139 E N 2.167 122.327 120.200 -0.067 0.000 2.219 139 E HA -0.216 4.134 4.350 0.000 0.000 0.198 139 E C 1.834 178.508 176.600 0.123 0.000 0.998 139 E CA 1.429 57.856 56.400 0.045 0.000 0.818 139 E CB 0.174 29.842 29.700 -0.053 0.000 0.741 139 E HN 0.630 nan 8.360 nan 0.000 0.477 140 Q N -0.174 119.805 119.800 0.298 0.000 2.170 140 Q HA -0.132 4.208 4.340 0.000 0.000 0.203 140 Q C 2.110 178.038 176.000 -0.119 0.000 0.976 140 Q CA 1.521 57.288 55.803 -0.060 0.000 0.858 140 Q CB -0.269 28.338 28.738 -0.218 0.000 0.907 140 Q HN 0.383 nan 8.270 nan 0.000 0.433 141 G N 0.321 109.130 108.800 0.016 0.000 2.418 141 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 141 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 141 G C 1.454 176.360 174.900 0.010 0.000 1.158 141 G CA 0.828 45.948 45.100 0.034 0.000 0.771 141 G HN 0.487 nan 8.290 nan 0.000 0.545 142 A N 0.931 123.778 122.820 0.046 0.000 1.908 142 A HA 0.122 4.442 4.320 0.000 0.000 0.218 142 A C 2.701 180.233 177.584 -0.087 0.000 1.181 142 A CA 2.191 54.260 52.037 0.054 0.000 0.627 142 A CB -1.121 17.961 19.000 0.137 0.000 0.818 142 A HN 0.533 nan 8.150 nan 0.000 0.445 143 G N -1.280 107.451 108.800 -0.115 0.000 2.433 143 G HA2 -0.265 3.695 3.960 0.000 0.000 0.216 143 G HA3 -0.265 3.695 3.960 0.000 0.000 0.216 143 G C 1.498 176.281 174.900 -0.196 0.000 1.186 143 G CA 1.146 46.137 45.100 -0.182 0.000 0.779 143 G HN 0.639 nan 8.290 nan 0.000 0.543 144 H N -0.075 118.934 119.070 -0.101 0.000 2.423 144 H HA 0.127 4.683 4.556 0.000 0.000 0.297 144 H C 2.691 177.838 175.328 -0.301 0.000 1.075 144 H CA 0.966 56.923 56.048 -0.152 0.000 1.342 144 H CB -0.253 29.420 29.762 -0.148 0.000 1.395 144 H HN 0.336 nan 8.280 nan 0.000 0.530 145 M N -0.126 119.335 119.600 -0.233 0.000 2.086 145 M HA -0.104 4.376 4.480 0.000 0.000 0.261 145 M C 2.673 178.483 176.300 -0.817 0.000 1.067 145 M CA 1.487 56.514 55.300 -0.454 0.000 1.116 145 M CB -0.158 32.190 32.600 -0.420 0.000 1.348 145 M HN 0.238 nan 8.290 nan 0.000 0.407 146 A N 0.214 122.479 122.820 -0.925 0.000 1.933 146 A HA -0.183 4.137 4.320 0.000 0.000 0.218 146 A C 1.889 179.347 177.584 -0.210 0.000 1.175 146 A CA 1.729 53.331 52.037 -0.725 0.000 0.628 146 A CB -0.667 18.126 19.000 -0.345 0.000 0.814 146 A HN 0.554 nan 8.150 nan 0.000 0.444 147 E N -0.708 119.413 120.200 -0.132 0.000 2.047 147 E HA -0.101 4.249 4.350 0.000 0.000 0.191 147 E C 2.198 178.789 176.600 -0.015 0.000 0.987 147 E CA 0.761 57.165 56.400 0.008 0.000 0.799 147 E CB -0.391 29.404 29.700 0.159 0.000 0.752 147 E HN 0.600 nan 8.360 nan 0.000 0.449 148 G N 0.698 109.426 108.800 -0.119 0.000 2.418 148 G HA2 -0.316 3.644 3.960 0.000 0.000 0.217 148 G HA3 -0.316 3.644 3.960 0.000 0.000 0.217 148 G C 1.421 176.304 174.900 -0.029 0.000 1.158 148 G CA 0.928 45.960 45.100 -0.113 0.000 0.771 148 G HN 0.285 nan 8.290 nan 0.000 0.545 149 Y N 2.016 122.235 120.300 -0.135 0.000 2.128 149 Y HA -0.060 4.490 4.550 0.000 0.000 0.284 149 Y C 2.906 178.809 175.900 0.005 0.000 1.154 149 Y CA 1.741 59.829 58.100 -0.021 0.000 1.149 149 Y CB -0.395 38.086 38.460 0.035 0.000 0.976 149 Y HN 0.248 nan 8.280 nan 0.000 0.505 150 A N 0.637 123.477 122.820 0.034 0.000 1.898 150 A HA -0.168 4.152 4.320 0.000 0.000 0.216 150 A C 2.379 179.902 177.584 -0.102 0.000 1.181 150 A CA 2.460 54.476 52.037 -0.035 0.000 0.620 150 A CB -1.347 17.694 19.000 0.069 0.000 0.819 150 A HN 0.516 nan 8.150 nan 0.000 0.442 151 R N -0.706 119.764 120.500 -0.050 0.000 2.148 151 R HA 0.272 4.612 4.340 0.000 0.000 0.227 151 R C 2.287 178.560 176.300 -0.046 0.000 1.103 151 R CA 2.014 58.100 56.100 -0.023 0.000 0.983 151 R CB -1.405 28.905 30.300 0.017 0.000 0.874 151 R HN 0.866 nan 8.270 nan 0.000 0.451 152 A N 0.350 123.112 122.820 -0.098 0.000 1.997 152 A HA 0.063 4.383 4.320 0.000 0.000 0.212 152 A C 2.410 179.875 177.584 -0.197 0.000 1.178 152 A CA 1.564 53.551 52.037 -0.084 0.000 0.698 152 A CB -0.016 18.957 19.000 -0.044 0.000 0.842 152 A HN 0.714 nan 8.150 nan 0.000 0.458 153 S N -2.504 112.996 115.700 -0.334 0.000 2.483 153 S HA 0.392 4.862 4.470 0.000 0.000 0.221 153 S C 1.534 175.952 174.600 -0.304 0.000 1.030 153 S CA 1.238 59.214 58.200 -0.373 0.000 0.925 153 S CB 0.064 62.870 63.200 -0.656 0.000 0.795 153 S HN 1.820 nan 8.310 nan 0.000 0.511 154 G N 1.079 109.712 108.800 -0.280 0.000 2.176 154 G HA2 -0.235 3.725 3.960 0.000 0.000 0.253 154 G HA3 -0.235 3.725 3.960 0.000 0.000 0.253 154 G C -0.098 174.738 174.900 -0.108 0.000 0.979 154 G CA 0.331 45.305 45.100 -0.211 0.000 0.641 154 G HN 0.630 nan 8.290 nan 0.000 0.530 155 K N 1.415 121.757 120.400 -0.096 0.000 2.118 155 K HA 0.554 4.874 4.320 0.000 0.000 0.254 155 K C -2.413 174.269 176.600 0.136 0.000 0.961 155 K CA -2.058 54.256 56.287 0.044 0.000 0.876 155 K CB 2.024 34.592 32.500 0.112 0.000 1.077 155 K HN 0.030 nan 8.250 nan 0.000 0.440 156 P HA -0.008 nan 4.420 nan 0.000 0.271 156 P C -0.333 177.133 177.300 0.276 0.000 1.216 156 P CA -0.203 63.005 63.100 0.180 0.000 0.771 156 P CB 0.677 32.465 31.700 0.147 0.000 0.864 157 G N 2.261 111.193 108.800 0.220 0.000 2.370 157 G HA2 0.415 4.375 3.960 0.000 0.000 0.272 157 G HA3 0.415 4.375 3.960 0.000 0.000 0.272 157 G C -0.534 174.449 174.900 0.139 0.000 1.208 157 G CA -0.355 44.888 45.100 0.240 0.000 0.856 157 G HN 0.363 nan 8.290 nan 0.000 0.500 158 V N 2.894 122.920 119.914 0.187 0.000 2.417 158 V HA 0.431 4.551 4.120 0.000 0.000 0.291 158 V C -0.046 176.185 176.094 0.227 0.000 1.024 158 V CA -0.619 61.794 62.300 0.187 0.000 0.861 158 V CB 1.510 33.456 31.823 0.204 0.000 0.985 158 V HN 0.518 nan 8.190 nan 0.000 0.436 159 V N 5.820 125.863 119.914 0.215 0.000 2.628 159 V HA 0.582 4.702 4.120 0.000 0.000 0.306 159 V C -0.716 175.554 176.094 0.293 0.000 1.045 159 V CA -0.677 61.747 62.300 0.207 0.000 0.905 159 V CB 1.964 33.853 31.823 0.110 0.000 0.997 159 V HN 0.660 nan 8.190 nan 0.000 0.436 160 L N 6.594 127.980 121.223 0.271 0.000 2.471 160 L HA 0.766 5.106 4.340 0.000 0.000 0.263 160 L C -0.517 176.558 176.870 0.342 0.000 0.985 160 L CA -0.085 54.927 54.840 0.288 0.000 0.868 160 L CB 1.504 43.687 42.059 0.207 0.000 1.203 160 L HN 0.584 nan 8.230 nan 0.000 0.429 161 V N 0.692 120.759 119.914 0.256 0.000 3.155 161 V HA 0.744 4.864 4.120 0.000 0.000 0.313 161 V C 0.144 176.332 176.094 0.156 0.000 1.162 161 V CA -0.414 62.022 62.300 0.226 0.000 1.048 161 V CB 1.560 33.466 31.823 0.139 0.000 1.092 161 V HN 0.635 nan 8.190 nan 0.000 0.447 162 T N 0.614 115.227 114.554 0.098 0.000 2.833 162 T HA 0.492 4.842 4.350 0.000 0.000 0.292 162 T C 0.677 175.372 174.700 -0.010 0.000 1.031 162 T CA 0.400 62.520 62.100 0.034 0.000 0.937 162 T CB 1.001 69.866 68.868 -0.006 0.000 1.256 162 T HN 1.546 nan 8.240 nan 0.000 0.551 163 S N -0.437 115.235 115.700 -0.047 0.000 2.632 163 S HA 0.600 5.070 4.470 0.000 0.000 0.267 163 S C 1.366 175.900 174.600 -0.111 0.000 1.193 163 S CA -0.014 58.142 58.200 -0.073 0.000 1.003 163 S CB -0.250 62.899 63.200 -0.085 0.000 1.073 163 S HN 1.566 nan 8.310 nan 0.000 0.553 164 G N 1.617 110.344 108.800 -0.121 0.000 2.685 164 G HA2 -0.301 3.659 3.960 0.000 0.000 0.329 164 G HA3 -0.301 3.659 3.960 0.000 0.000 0.329 164 G C -0.941 173.888 174.900 -0.119 0.000 1.271 164 G CA 0.544 45.561 45.100 -0.139 0.000 1.003 164 G HN 0.751 nan 8.290 nan 0.000 0.549 165 P HA -0.073 nan 4.420 nan 0.000 0.218 165 P C 1.933 179.158 177.300 -0.125 0.000 1.148 165 P CA 2.647 65.673 63.100 -0.124 0.000 0.822 165 P CB -0.732 30.885 31.700 -0.138 0.000 0.784 166 G N 0.609 109.340 108.800 -0.115 0.000 2.418 166 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 166 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 166 G C 1.818 176.682 174.900 -0.059 0.000 1.158 166 G CA 1.087 46.134 45.100 -0.088 0.000 0.771 166 G HN 0.392 nan 8.290 nan 0.000 0.545 167 A N 0.715 123.502 122.820 -0.055 0.000 1.898 167 A HA 0.043 4.363 4.320 0.000 0.000 0.214 167 A C 2.643 180.194 177.584 -0.054 0.000 1.183 167 A CA 2.447 54.456 52.037 -0.047 0.000 0.622 167 A CB -1.012 17.958 19.000 -0.051 0.000 0.824 167 A HN 0.503 nan 8.150 nan 0.000 0.444 168 T N -1.790 112.727 114.554 -0.062 0.000 2.833 168 T HA -0.153 4.197 4.350 0.000 0.000 0.269 168 T C 1.447 176.124 174.700 -0.039 0.000 1.054 168 T CA 1.621 63.688 62.100 -0.055 0.000 1.135 168 T CB -0.821 68.013 68.868 -0.057 0.000 0.869 168 T HN 0.589 nan 8.240 nan 0.000 0.466 169 N N 1.064 119.741 118.700 -0.038 0.000 2.520 169 N HA 0.000 4.740 4.740 0.000 0.000 0.185 169 N C 1.544 177.061 175.510 0.011 0.000 1.068 169 N CA 0.919 53.979 53.050 0.016 0.000 0.911 169 N CB -0.031 38.430 38.487 -0.043 0.000 0.961 169 N HN 0.542 nan 8.380 nan 0.000 0.446 170 V N -3.372 116.523 119.914 -0.030 0.000 3.621 170 V HA 0.170 4.290 4.120 0.000 0.000 0.285 170 V C 1.656 177.709 176.094 -0.069 0.000 1.346 170 V CA 0.033 62.299 62.300 -0.057 0.000 1.104 170 V CB 0.011 31.808 31.823 -0.044 0.000 0.913 170 V HN -0.094 nan 8.190 nan 0.000 0.432 171 V N 1.441 121.320 119.914 -0.058 0.000 2.343 171 V HA -0.240 3.880 4.120 0.000 0.000 0.247 171 V C 2.785 178.847 176.094 -0.054 0.000 1.051 171 V CA 3.016 65.280 62.300 -0.061 0.000 1.036 171 V CB -1.145 30.643 31.823 -0.058 0.000 0.654 171 V HN 0.661 nan 8.190 nan 0.000 0.451 172 T N 0.203 114.728 114.554 -0.049 0.000 2.684 172 T HA -0.118 4.232 4.350 0.000 0.000 0.267 172 T C -0.017 174.675 174.700 -0.013 0.000 1.036 172 T CA 2.086 64.173 62.100 -0.021 0.000 1.148 172 T CB -1.166 67.704 68.868 0.002 0.000 0.863 172 T HN 0.432 nan 8.240 nan 0.000 0.436 173 P HA 0.001 nan 4.420 nan 0.000 0.216 173 P C 1.625 178.920 177.300 -0.009 0.000 1.150 173 P CA 1.126 64.141 63.100 -0.142 0.000 0.837 173 P CB -0.128 31.374 31.700 -0.329 0.000 0.786 174 M N -1.221 118.362 119.600 -0.027 0.000 2.099 174 M HA -0.116 4.364 4.480 0.000 0.000 0.262 174 M C 2.189 178.522 176.300 0.054 0.000 1.067 174 M CA 2.030 57.333 55.300 0.005 0.000 1.124 174 M CB -0.991 31.589 32.600 -0.035 0.000 1.353 174 M HN -0.096 nan 8.290 nan 0.000 0.410 175 A N 0.101 122.934 122.820 0.021 0.000 1.933 175 A HA -0.227 4.093 4.320 0.000 0.000 0.218 175 A C 1.925 179.571 177.584 0.103 0.000 1.175 175 A CA 2.018 54.083 52.037 0.046 0.000 0.628 175 A CB -0.898 18.099 19.000 -0.005 0.000 0.814 175 A HN 0.549 nan 8.150 nan 0.000 0.444 176 D N 0.088 120.533 120.400 0.076 0.000 2.097 176 D HA -0.087 4.553 4.640 0.000 0.000 0.195 176 D C 2.081 178.412 176.300 0.052 0.000 0.989 176 D CA 1.459 55.491 54.000 0.054 0.000 0.827 176 D CB -0.095 40.773 40.800 0.113 0.000 0.966 176 D HN 0.332 nan 8.370 nan 0.000 0.456 177 A N -0.160 122.713 122.820 0.089 0.000 2.015 177 A HA -0.110 4.210 4.320 0.000 0.000 0.219 177 A C 2.020 179.650 177.584 0.076 0.000 1.163 177 A CA 0.600 52.681 52.037 0.072 0.000 0.646 177 A CB -0.900 18.143 19.000 0.072 0.000 0.806 177 A HN 0.371 nan 8.150 nan 0.000 0.448 178 F N 0.709 120.646 119.950 -0.021 0.000 2.206 178 F HA 0.051 4.578 4.527 0.000 0.000 0.298 178 F C 2.411 178.197 175.800 -0.023 0.000 1.090 178 F CA 1.068 59.057 58.000 -0.019 0.000 1.323 178 F CB -0.169 38.819 39.000 -0.020 0.000 1.028 178 F HN 0.232 nan 8.300 nan 0.000 0.492 179 A N -0.785 122.085 122.820 0.082 0.000 1.970 179 A HA -0.087 4.233 4.320 0.000 0.000 0.216 179 A C 1.540 179.070 177.584 -0.090 0.000 1.170 179 A CA 1.687 53.718 52.037 -0.010 0.000 0.645 179 A CB -0.540 18.476 19.000 0.028 0.000 0.816 179 A HN 0.357 nan 8.150 nan 0.000 0.447 180 D N -1.052 119.297 120.400 -0.085 0.000 2.369 180 D HA 0.275 4.915 4.640 0.000 0.000 0.211 180 D C 1.057 177.301 176.300 -0.093 0.000 1.077 180 D CA 0.869 54.811 54.000 -0.097 0.000 0.842 180 D CB 0.093 40.828 40.800 -0.107 0.000 0.947 180 D HN 0.488 nan 8.370 nan 0.000 0.509 181 G N 1.729 110.455 108.800 -0.122 0.000 2.314 181 G HA2 -0.288 3.672 3.960 0.000 0.000 0.292 181 G HA3 -0.288 3.672 3.960 0.000 0.000 0.292 181 G C 0.154 175.019 174.900 -0.058 0.000 1.059 181 G CA -0.134 44.896 45.100 -0.116 0.000 0.982 181 G HN 0.359 nan 8.290 nan 0.000 0.505 182 I N 1.797 122.347 120.570 -0.033 0.000 2.331 182 I HA 0.274 4.444 4.170 0.000 0.000 0.292 182 I C -1.639 174.480 176.117 0.004 0.000 0.998 182 I CA -2.531 58.767 61.300 -0.002 0.000 1.267 182 I CB 1.808 39.822 38.000 0.023 0.000 1.386 182 I HN -0.023 nan 8.210 nan 0.000 0.476 183 P HA 0.129 nan 4.420 nan 0.000 0.270 183 P C -0.963 176.341 177.300 0.007 0.000 1.242 183 P CA -0.115 62.987 63.100 0.004 0.000 0.768 183 P CB 1.000 32.709 31.700 0.015 0.000 0.820 184 M N 4.073 123.658 119.600 -0.025 0.000 2.322 184 M HA 0.315 4.795 4.480 0.000 0.000 0.286 184 M C -1.921 174.297 176.300 -0.137 0.000 1.111 184 M CA -0.825 54.447 55.300 -0.046 0.000 0.941 184 M CB 2.355 34.944 32.600 -0.018 0.000 1.671 184 M HN -0.081 nan 8.290 nan 0.000 0.470 185 V N 5.364 125.146 119.914 -0.220 0.000 2.334 185 V HA 0.436 4.556 4.120 0.000 0.000 0.281 185 V C -0.628 175.259 176.094 -0.345 0.000 1.016 185 V CA -0.660 61.388 62.300 -0.420 0.000 0.832 185 V CB 1.422 32.767 31.823 -0.797 0.000 0.999 185 V HN 0.662 nan 8.190 nan 0.000 0.439 186 V N 6.029 125.733 119.914 -0.350 0.000 2.350 186 V HA 0.469 4.589 4.120 0.000 0.000 0.276 186 V C -0.421 175.477 176.094 -0.326 0.000 1.028 186 V CA -0.367 61.804 62.300 -0.214 0.000 0.860 186 V CB 1.015 32.769 31.823 -0.115 0.000 0.990 186 V HN 0.636 nan 8.190 nan 0.000 0.453 187 F N 3.054 123.029 119.950 0.041 0.000 2.415 187 F HA 0.574 5.101 4.527 0.000 0.000 0.348 187 F C 0.768 176.567 175.800 -0.002 0.000 1.119 187 F CA -0.464 57.554 58.000 0.029 0.000 1.069 187 F CB 1.939 40.965 39.000 0.043 0.000 1.124 187 F HN 0.500 nan 8.300 nan 0.000 0.472 188 T N 0.208 114.837 114.554 0.125 0.000 2.812 188 T HA 0.676 5.026 4.350 0.000 0.000 0.282 188 T C 0.119 174.845 174.700 0.044 0.000 0.990 188 T CA -0.960 61.178 62.100 0.063 0.000 0.960 188 T CB 1.394 70.265 68.868 0.005 0.000 0.948 188 T HN 0.787 nan 8.240 nan 0.000 0.438 189 G N 1.490 110.312 108.800 0.036 0.000 2.527 189 G HA2 0.481 4.441 3.960 0.000 0.000 0.248 189 G HA3 0.481 4.441 3.960 0.000 0.000 0.248 189 G C -0.562 174.332 174.900 -0.009 0.000 1.231 189 G CA -0.231 44.876 45.100 0.011 0.000 0.838 189 G HN 0.844 nan 8.290 nan 0.000 0.570 190 Q N -0.300 119.492 119.800 -0.013 0.000 2.456 190 Q HA 0.516 4.856 4.340 0.000 0.000 0.283 190 Q C -0.031 175.958 176.000 -0.018 0.000 1.084 190 Q CA -0.743 55.046 55.803 -0.024 0.000 0.801 190 Q CB 2.004 30.729 28.738 -0.022 0.000 1.434 190 Q HN 0.896 nan 8.270 nan 0.000 0.419 191 V N 0.053 119.954 119.914 -0.021 0.000 3.237 191 V HA 0.521 4.641 4.120 0.000 0.000 0.305 191 V C -2.196 173.899 176.094 0.001 0.000 1.096 191 V CA -1.438 60.859 62.300 -0.005 0.000 1.130 191 V CB -0.311 31.512 31.823 -0.000 0.000 1.048 191 V HN 0.784 nan 8.190 nan 0.000 0.484 192 P HA 0.060 nan 4.420 nan 0.000 0.266 192 P C 1.212 178.515 177.300 0.005 0.000 1.193 192 P CA 0.938 64.043 63.100 0.009 0.000 0.770 192 P CB 0.290 31.998 31.700 0.013 0.000 0.836 193 T N -1.723 112.834 114.554 0.004 0.000 2.849 193 T HA -0.176 4.174 4.350 0.000 0.000 0.270 193 T C 1.467 176.169 174.700 0.003 0.000 1.066 193 T CA 1.669 63.771 62.100 0.002 0.000 1.130 193 T CB -1.045 67.826 68.868 0.005 0.000 0.864 193 T HN 0.443 nan 8.240 nan 0.000 0.481 194 S N 0.678 116.381 115.700 0.006 0.000 2.562 194 S HA 0.519 4.989 4.470 0.000 0.000 0.221 194 S C 1.936 176.540 174.600 0.007 0.000 0.975 194 S CA 0.088 58.291 58.200 0.006 0.000 0.918 194 S CB -0.174 63.030 63.200 0.007 0.000 0.772 194 S HN 0.724 nan 8.310 nan 0.000 0.531 195 A N 0.860 123.686 122.820 0.009 0.000 2.229 195 A HA 0.503 4.823 4.320 0.000 0.000 0.211 195 A C 0.687 178.275 177.584 0.007 0.000 1.193 195 A CA -0.435 51.609 52.037 0.013 0.000 0.879 195 A CB -0.173 18.841 19.000 0.023 0.000 0.911 195 A HN 0.500 nan 8.150 nan 0.000 0.492 196 I N 0.689 121.259 120.570 0.001 0.000 2.775 196 I HA 0.220 4.390 4.170 0.000 0.000 0.290 196 I C 1.549 177.662 176.117 -0.007 0.000 1.203 196 I CA 1.530 62.826 61.300 -0.007 0.000 1.433 196 I CB 0.333 38.326 38.000 -0.011 0.000 1.354 196 I HN 0.487 nan 8.210 nan 0.000 0.579 197 G N 3.824 112.617 108.800 -0.010 0.000 2.143 197 G HA2 -0.276 3.684 3.960 0.000 0.000 0.249 197 G HA3 -0.276 3.684 3.960 0.000 0.000 0.249 197 G C 0.556 175.453 174.900 -0.005 0.000 0.981 197 G CA 0.476 45.570 45.100 -0.010 0.000 0.665 197 G HN 0.827 nan 8.290 nan 0.000 0.528 198 T N -2.448 112.105 114.554 -0.000 0.000 3.132 198 T HA 0.411 4.761 4.350 0.000 0.000 0.274 198 T C 0.488 175.194 174.700 0.009 0.000 1.011 198 T CA 0.793 62.896 62.100 0.005 0.000 0.899 198 T CB 0.254 69.127 68.868 0.009 0.000 1.089 198 T HN 0.495 nan 8.240 nan 0.000 0.543 199 D N 1.290 121.694 120.400 0.006 0.000 2.699 199 D HA -0.124 4.516 4.640 0.000 0.000 0.239 199 D C 0.471 176.788 176.300 0.029 0.000 1.136 199 D CA 0.856 54.862 54.000 0.010 0.000 0.668 199 D CB -1.538 39.267 40.800 0.009 0.000 1.060 199 D HN 0.839 nan 8.370 nan 0.000 0.429 200 A N 0.046 122.885 122.820 0.031 0.000 2.346 200 A HA 0.389 4.709 4.320 0.000 0.000 0.252 200 A C 0.382 178.028 177.584 0.103 0.000 1.089 200 A CA -0.401 51.677 52.037 0.067 0.000 0.797 200 A CB 0.277 19.308 19.000 0.053 0.000 1.047 200 A HN 0.213 nan 8.150 nan 0.000 0.494 201 F N 1.176 121.116 119.950 -0.016 0.000 2.612 201 F HA 0.094 4.621 4.527 0.000 0.000 0.389 201 F C 1.240 177.029 175.800 -0.019 0.000 1.055 201 F CA 1.167 59.157 58.000 -0.018 0.000 1.232 201 F CB -0.402 38.588 39.000 -0.017 0.000 1.044 201 F HN 0.786 nan 8.300 nan 0.000 0.560 202 Q N 1.922 121.404 119.800 -0.529 0.000 2.481 202 Q HA -0.309 4.031 4.340 0.000 0.000 0.272 202 Q C -0.171 175.686 176.000 -0.238 0.000 1.157 202 Q CA 1.239 56.741 55.803 -0.502 0.000 0.935 202 Q CB -1.431 26.840 28.738 -0.778 0.000 1.338 202 Q HN 0.858 nan 8.270 nan 0.000 0.494 203 E N -0.118 120.001 120.200 -0.135 0.000 2.191 203 E HA 0.672 5.022 4.350 0.000 0.000 0.278 203 E C -0.868 175.688 176.600 -0.074 0.000 0.972 203 E CA 0.124 56.474 56.400 -0.082 0.000 0.804 203 E CB 1.183 30.858 29.700 -0.041 0.000 1.110 203 E HN 0.305 nan 8.360 nan 0.000 0.394 204 A N 3.539 126.318 122.820 -0.069 0.000 2.539 204 A HA 0.265 4.585 4.320 0.000 0.000 0.296 204 A C -1.157 176.391 177.584 -0.059 0.000 1.073 204 A CA -0.789 51.209 52.037 -0.064 0.000 0.700 204 A CB 1.693 20.650 19.000 -0.072 0.000 1.296 204 A HN 0.677 nan 8.150 nan 0.000 0.405 205 D N 2.277 122.643 120.400 -0.057 0.000 2.558 205 D HA 0.266 4.906 4.640 0.000 0.000 0.221 205 D C 1.063 177.320 176.300 -0.071 0.000 1.143 205 D CA -0.022 53.942 54.000 -0.060 0.000 1.010 205 D CB 0.121 40.888 40.800 -0.055 0.000 1.068 205 D HN 0.115 nan 8.370 nan 0.000 0.511 206 V N 2.299 122.168 119.914 -0.074 0.000 2.490 206 V HA -0.197 3.923 4.120 0.000 0.000 0.250 206 V C 2.503 178.536 176.094 -0.102 0.000 1.061 206 V CA 0.901 63.151 62.300 -0.083 0.000 1.064 206 V CB -0.225 31.551 31.823 -0.078 0.000 0.670 206 V HN 0.380 nan 8.190 nan 0.000 0.461 207 V N 1.002 120.851 119.914 -0.109 0.000 2.427 207 V HA -0.139 3.981 4.120 0.000 0.000 0.248 207 V C 2.533 178.551 176.094 -0.126 0.000 1.051 207 V CA 2.158 64.376 62.300 -0.137 0.000 1.048 207 V CB -1.039 30.698 31.823 -0.144 0.000 0.666 207 V HN 0.611 nan 8.190 nan 0.000 0.456 208 G N -0.458 108.281 108.800 -0.101 0.000 2.396 208 G HA2 -0.136 3.824 3.960 0.000 0.000 0.214 208 G HA3 -0.136 3.824 3.960 0.000 0.000 0.214 208 G C 1.564 176.407 174.900 -0.095 0.000 1.166 208 G CA 0.657 45.703 45.100 -0.092 0.000 0.793 208 G HN 0.465 nan 8.290 nan 0.000 0.533 209 I N 1.867 122.382 120.570 -0.091 0.000 2.226 209 I HA -0.175 3.995 4.170 0.000 0.000 0.245 209 I C 2.870 178.920 176.117 -0.111 0.000 1.100 209 I CA 1.622 62.867 61.300 -0.091 0.000 1.374 209 I CB -0.108 37.844 38.000 -0.081 0.000 1.057 209 I HN 0.318 nan 8.210 nan 0.000 0.413 210 S N 0.328 115.955 115.700 -0.121 0.000 2.593 210 S HA -0.016 4.454 4.470 0.000 0.000 0.217 210 S C 1.885 176.381 174.600 -0.173 0.000 0.966 210 S CA -0.117 57.998 58.200 -0.142 0.000 0.914 210 S CB -0.307 62.815 63.200 -0.130 0.000 0.776 210 S HN 0.337 nan 8.310 nan 0.000 0.523 211 R N 2.283 122.687 120.500 -0.160 0.000 2.094 211 R HA -0.160 4.180 4.340 0.000 0.000 0.239 211 R C 2.313 178.485 176.300 -0.213 0.000 1.137 211 R CA 2.195 58.198 56.100 -0.161 0.000 0.943 211 R CB -0.685 29.539 30.300 -0.127 0.000 0.850 211 R HN 0.621 nan 8.270 nan 0.000 0.433 212 S N -0.772 114.785 115.700 -0.239 0.000 2.515 212 S HA -0.075 4.395 4.470 0.000 0.000 0.231 212 S C 1.589 175.789 174.600 -0.667 0.000 0.987 212 S CA 0.471 58.469 58.200 -0.337 0.000 0.936 212 S CB -0.361 62.704 63.200 -0.226 0.000 0.766 212 S HN 0.593 nan 8.310 nan 0.000 0.528 213 C N 1.244 120.192 119.300 -0.587 0.000 2.849 213 C HA 0.667 5.127 4.460 0.000 0.000 0.271 213 C C 0.436 175.149 174.990 -0.461 0.000 1.519 213 C CA -0.362 58.215 59.018 -0.735 0.000 1.783 213 C CB -1.591 25.957 27.740 -0.320 0.000 2.869 213 C HN 0.522 nan 8.230 nan 0.000 0.527 214 T N -3.282 111.041 114.554 -0.385 0.000 2.956 214 T HA 0.427 4.777 4.350 0.000 0.000 0.312 214 T C 0.178 175.001 174.700 0.205 0.000 1.151 214 T CA -0.521 61.594 62.100 0.026 0.000 1.024 214 T CB 1.572 70.425 68.868 -0.025 0.000 1.140 214 T HN 0.205 nan 8.240 nan 0.000 0.473 215 K N 0.119 120.736 120.400 0.362 0.000 2.283 215 K HA 0.117 4.437 4.320 0.000 0.000 0.202 215 K C -0.144 176.663 176.600 0.345 0.000 1.048 215 K CA 0.812 57.309 56.287 0.351 0.000 0.948 215 K CB 0.132 32.767 32.500 0.225 0.000 0.742 215 K HN 0.700 nan 8.250 nan 0.000 0.458 216 W N 0.607 121.927 121.300 0.033 0.000 3.524 216 W HA 0.138 4.798 4.660 0.000 0.000 0.287 216 W C -2.222 174.277 176.519 -0.033 0.000 1.247 216 W CA -0.890 56.455 57.345 -0.001 0.000 1.197 216 W CB 0.712 30.174 29.460 0.004 0.000 1.323 216 W HN -0.003 nan 8.180 nan 0.000 0.567 217 N N 3.125 121.413 118.700 -0.688 0.000 2.853 217 N HA 0.809 5.549 4.740 0.000 0.000 0.258 217 N C -2.120 172.699 175.510 -1.152 0.000 1.444 217 N CA -0.614 51.984 53.050 -0.752 0.000 0.837 217 N CB 2.328 40.595 38.487 -0.366 0.000 1.489 217 N HN 0.771 nan 8.380 nan 0.000 0.529 218 V N -1.022 118.436 119.914 -0.759 0.000 3.234 218 V HA 0.537 4.657 4.120 0.000 0.000 0.280 218 V C -1.807 174.126 176.094 -0.268 0.000 1.580 218 V CA -0.915 61.050 62.300 -0.559 0.000 1.032 218 V CB 2.083 33.508 31.823 -0.663 0.000 1.203 218 V HN 0.939 nan 8.190 nan 0.000 0.459 219 M N 4.451 123.954 119.600 -0.160 0.000 2.167 219 M HA 0.616 5.096 4.480 0.000 0.000 0.333 219 M C -1.288 174.998 176.300 -0.024 0.000 1.030 219 M CA -0.639 54.615 55.300 -0.077 0.000 0.963 219 M CB 1.544 34.104 32.600 -0.067 0.000 1.589 219 M HN 0.584 nan 8.290 nan 0.000 0.431 220 V N 6.350 126.275 119.914 0.018 0.000 2.521 220 V HA 0.043 4.163 4.120 0.000 0.000 0.286 220 V C 0.689 176.804 176.094 0.035 0.000 1.034 220 V CA 0.238 62.569 62.300 0.052 0.000 1.045 220 V CB 0.815 32.691 31.823 0.087 0.000 0.974 220 V HN 0.901 nan 8.190 nan 0.000 0.480 221 K N 2.425 122.847 120.400 0.037 0.000 2.284 221 K HA 0.121 4.441 4.320 0.000 0.000 0.198 221 K C 0.691 177.310 176.600 0.032 0.000 1.048 221 K CA 0.551 56.854 56.287 0.028 0.000 0.987 221 K CB 0.356 32.871 32.500 0.025 0.000 0.800 221 K HN 0.874 nan 8.250 nan 0.000 0.486 222 S N -1.903 113.823 115.700 0.043 0.000 2.588 222 S HA 0.224 4.694 4.470 0.000 0.000 0.275 222 S C 0.568 175.199 174.600 0.052 0.000 1.130 222 S CA -0.771 57.454 58.200 0.043 0.000 0.855 222 S CB 1.506 64.731 63.200 0.042 0.000 1.116 222 S HN -0.167 nan 8.310 nan 0.000 0.472 223 V N 1.539 121.481 119.914 0.045 0.000 2.490 223 V HA -0.127 3.993 4.120 0.000 0.000 0.250 223 V C 2.363 178.496 176.094 0.065 0.000 1.061 223 V CA 2.447 64.775 62.300 0.047 0.000 1.064 223 V CB -0.966 30.877 31.823 0.034 0.000 0.670 223 V HN 0.952 nan 8.190 nan 0.000 0.461 224 E N 0.024 120.265 120.200 0.069 0.000 2.338 224 E HA -0.282 4.068 4.350 0.000 0.000 0.197 224 E C 1.864 178.521 176.600 0.095 0.000 1.007 224 E CA 1.490 57.941 56.400 0.085 0.000 0.849 224 E CB -0.273 29.469 29.700 0.071 0.000 0.774 224 E HN 0.857 nan 8.360 nan 0.000 0.506 225 E N 0.478 120.732 120.200 0.090 0.000 2.415 225 E HA -0.025 4.325 4.350 0.000 0.000 0.197 225 E C 1.929 178.605 176.600 0.127 0.000 1.007 225 E CA -0.183 56.279 56.400 0.103 0.000 0.890 225 E CB 0.123 29.878 29.700 0.092 0.000 0.891 225 E HN 0.122 nan 8.360 nan 0.000 0.496 226 L N 1.844 123.138 121.223 0.118 0.000 2.013 226 L HA -0.094 4.246 4.340 0.000 0.000 0.212 226 L C -1.067 175.900 176.870 0.163 0.000 1.073 226 L CA 2.107 57.029 54.840 0.137 0.000 0.753 226 L CB -0.984 41.131 42.059 0.094 0.000 0.890 226 L HN 0.099 nan 8.230 nan 0.000 0.432 227 P HA -0.155 nan 4.420 nan 0.000 0.216 227 P C 1.912 179.319 177.300 0.179 0.000 1.153 227 P CA 1.086 64.291 63.100 0.175 0.000 0.848 227 P CB -0.115 31.739 31.700 0.257 0.000 0.787 228 L N -0.550 120.771 121.223 0.163 0.000 2.046 228 L HA -0.116 4.224 4.340 0.000 0.000 0.208 228 L C 2.136 179.114 176.870 0.181 0.000 1.077 228 L CA 1.981 56.909 54.840 0.146 0.000 0.747 228 L CB -0.842 41.292 42.059 0.125 0.000 0.896 228 L HN -0.215 nan 8.230 nan 0.000 0.432 229 R N -0.060 120.578 120.500 0.230 0.000 2.092 229 R HA -0.022 4.318 4.340 0.000 0.000 0.231 229 R C 2.311 178.826 176.300 0.358 0.000 1.119 229 R CA 1.691 57.985 56.100 0.323 0.000 0.970 229 R CB -0.960 29.530 30.300 0.317 0.000 0.864 229 R HN 0.470 nan 8.270 nan 0.000 0.440 230 I N 1.342 122.128 120.570 0.361 0.000 2.252 230 I HA -0.252 3.918 4.170 0.000 0.000 0.245 230 I C 1.679 178.065 176.117 0.449 0.000 1.102 230 I CA 1.077 62.668 61.300 0.484 0.000 1.385 230 I CB -0.335 37.918 38.000 0.422 0.000 1.064 230 I HN 0.134 nan 8.210 nan 0.000 0.414 231 N N 0.808 119.668 118.700 0.266 0.000 2.188 231 N HA -0.158 4.582 4.740 0.000 0.000 0.184 231 N C 1.685 177.277 175.510 0.137 0.000 1.018 231 N CA 1.211 54.371 53.050 0.183 0.000 0.858 231 N CB -0.158 38.390 38.487 0.102 0.000 0.989 231 N HN 0.486 nan 8.380 nan 0.000 0.426 232 E N 0.992 121.233 120.200 0.069 0.000 2.072 232 E HA -0.028 4.322 4.350 0.000 0.000 0.190 232 E C 2.040 178.521 176.600 -0.198 0.000 0.982 232 E CA 0.844 57.161 56.400 -0.138 0.000 0.803 232 E CB -0.062 29.469 29.700 -0.283 0.000 0.755 232 E HN 0.299 nan 8.360 nan 0.000 0.453 233 A N 1.042 123.864 122.820 0.002 0.000 1.892 233 A HA -0.204 4.116 4.320 0.000 0.000 0.218 233 A C 1.933 179.488 177.584 -0.049 0.000 1.188 233 A CA 1.411 53.471 52.037 0.038 0.000 0.631 233 A CB -0.879 18.190 19.000 0.115 0.000 0.822 233 A HN 0.183 nan 8.150 nan 0.000 0.447 234 F N -0.234 119.731 119.950 0.024 0.000 2.186 234 F HA -0.092 4.435 4.527 0.000 0.000 0.299 234 F C 2.393 178.182 175.800 -0.018 0.000 1.090 234 F CA 1.658 59.670 58.000 0.020 0.000 1.307 234 F CB -0.237 38.788 39.000 0.043 0.000 1.019 234 F HN 0.431 nan 8.300 nan 0.000 0.489 235 E N 0.832 121.108 120.200 0.128 0.000 2.051 235 E HA -0.205 4.145 4.350 0.000 0.000 0.192 235 E C 2.278 178.856 176.600 -0.036 0.000 0.991 235 E CA 1.545 57.962 56.400 0.028 0.000 0.799 235 E CB -0.255 29.432 29.700 -0.021 0.000 0.748 235 E HN 0.407 nan 8.360 nan 0.000 0.449 236 I N 1.080 121.583 120.570 -0.112 0.000 2.179 236 I HA -0.245 3.925 4.170 0.000 0.000 0.242 236 I C 2.624 178.708 176.117 -0.055 0.000 1.088 236 I CA 1.037 62.258 61.300 -0.133 0.000 1.357 236 I CB -0.371 37.473 38.000 -0.259 0.000 1.051 236 I HN 0.196 nan 8.210 nan 0.000 0.409 237 A N 0.471 123.264 122.820 -0.044 0.000 2.019 237 A HA -0.196 4.124 4.320 0.000 0.000 0.219 237 A C 2.221 179.798 177.584 -0.011 0.000 1.164 237 A CA 2.261 54.279 52.037 -0.032 0.000 0.644 237 A CB -0.911 18.035 19.000 -0.089 0.000 0.805 237 A HN 0.544 nan 8.150 nan 0.000 0.449 238 T N -2.603 111.955 114.554 0.007 0.000 3.069 238 T HA 0.303 4.653 4.350 0.000 0.000 0.252 238 T C 0.705 175.408 174.700 0.005 0.000 1.053 238 T CA 0.480 62.591 62.100 0.019 0.000 0.964 238 T CB -0.384 68.516 68.868 0.054 0.000 1.005 238 T HN 0.511 nan 8.240 nan 0.000 0.532 239 S N -0.225 115.471 115.700 -0.007 0.000 2.747 239 S HA 0.782 5.252 4.470 0.000 0.000 0.300 239 S C 1.186 175.777 174.600 -0.014 0.000 1.121 239 S CA -0.230 57.964 58.200 -0.010 0.000 0.995 239 S CB 0.864 64.052 63.200 -0.019 0.000 1.113 239 S HN 0.941 nan 8.310 nan 0.000 0.547 240 G N 1.406 110.200 108.800 -0.010 0.000 2.672 240 G HA2 -0.337 3.623 3.960 0.000 0.000 0.324 240 G HA3 -0.337 3.623 3.960 0.000 0.000 0.324 240 G C -0.060 174.830 174.900 -0.016 0.000 1.286 240 G CA 0.610 45.703 45.100 -0.012 0.000 1.004 240 G HN 1.029 nan 8.290 nan 0.000 0.548 241 R N 1.814 122.295 120.500 -0.032 0.000 2.202 241 R HA 0.450 4.790 4.340 0.000 0.000 0.334 241 R C -2.248 174.020 176.300 -0.053 0.000 1.036 241 R CA -1.540 54.531 56.100 -0.047 0.000 0.878 241 R CB 0.718 30.971 30.300 -0.078 0.000 1.067 241 R HN 0.258 nan 8.270 nan 0.000 0.457 242 P HA 0.066 nan 4.420 nan 0.000 0.269 242 P C -0.539 176.729 177.300 -0.053 0.000 1.205 242 P CA 0.172 63.254 63.100 -0.031 0.000 0.780 242 P CB 0.749 32.438 31.700 -0.018 0.000 0.858 243 G N 0.735 109.518 108.800 -0.029 0.000 2.495 243 G HA2 0.482 4.442 3.960 0.000 0.000 0.294 243 G HA3 0.482 4.442 3.960 0.000 0.000 0.294 243 G C -3.344 171.574 174.900 0.031 0.000 1.397 243 G CA -0.895 44.195 45.100 -0.017 0.000 0.790 243 G HN 0.278 nan 8.290 nan 0.000 0.486 244 P HA 0.546 nan 4.420 nan 0.000 0.281 244 P C -0.366 176.980 177.300 0.078 0.000 1.249 244 P CA -0.404 62.734 63.100 0.063 0.000 0.810 244 P CB 1.902 33.653 31.700 0.085 0.000 1.008 245 V N 0.543 120.460 119.914 0.005 0.000 3.049 245 V HA 0.707 4.827 4.120 0.000 0.000 0.309 245 V C -1.201 174.841 176.094 -0.086 0.000 1.148 245 V CA -1.149 61.176 62.300 0.042 0.000 0.990 245 V CB 2.032 33.935 31.823 0.134 0.000 1.039 245 V HN 0.508 nan 8.190 nan 0.000 0.430 246 L N 2.969 124.127 121.223 -0.108 0.000 2.386 246 L HA 0.879 5.219 4.340 0.000 0.000 0.271 246 L C -1.365 175.368 176.870 -0.228 0.000 0.993 246 L CA -0.623 54.102 54.840 -0.192 0.000 0.819 246 L CB 2.109 44.074 42.059 -0.158 0.000 1.294 246 L HN 0.700 nan 8.230 nan 0.000 0.414 247 V N 3.262 123.031 119.914 -0.240 0.000 2.376 247 V HA 0.312 4.433 4.120 0.000 0.000 0.287 247 V C -0.755 175.331 176.094 -0.013 0.000 1.015 247 V CA -0.580 61.651 62.300 -0.116 0.000 0.834 247 V CB 1.452 33.262 31.823 -0.023 0.000 1.001 247 V HN 0.659 nan 8.190 nan 0.000 0.428 248 D N 4.401 124.777 120.400 -0.039 0.000 2.312 248 D HA 0.426 5.066 4.640 0.000 0.000 0.252 248 D C -0.446 175.870 176.300 0.027 0.000 1.150 248 D CA 0.121 54.111 54.000 -0.016 0.000 0.870 248 D CB 1.042 41.807 40.800 -0.059 0.000 1.153 248 D HN 0.427 nan 8.370 nan 0.000 0.457 249 L N 6.022 127.267 121.223 0.038 0.000 2.356 249 L HA 0.373 4.713 4.340 0.000 0.000 0.264 249 L C -2.188 174.686 176.870 0.006 0.000 1.029 249 L CA -1.947 52.912 54.840 0.032 0.000 0.897 249 L CB 1.490 43.563 42.059 0.024 0.000 1.256 249 L HN 0.175 nan 8.230 nan 0.000 0.444 250 P HA -0.027 nan 4.420 nan 0.000 0.266 250 P C 0.582 177.881 177.300 -0.001 0.000 1.195 250 P CA 0.010 63.110 63.100 -0.000 0.000 0.768 250 P CB 0.857 32.558 31.700 0.002 0.000 0.838 251 K N 3.020 123.420 120.400 -0.001 0.000 2.074 251 K HA -0.229 4.091 4.320 0.000 0.000 0.209 251 K C 1.230 177.830 176.600 0.001 0.000 1.048 251 K CA 2.227 58.513 56.287 -0.000 0.000 0.926 251 K CB -0.398 32.105 32.500 0.006 0.000 0.713 251 K HN 0.584 nan 8.250 nan 0.000 0.444 252 D N -0.016 120.387 120.400 0.005 0.000 2.219 252 D HA -0.119 4.521 4.640 0.000 0.000 0.205 252 D C 1.871 178.175 176.300 0.007 0.000 0.970 252 D CA 0.751 54.755 54.000 0.006 0.000 0.851 252 D CB -0.423 40.381 40.800 0.008 0.000 0.943 252 D HN 0.074 nan 8.370 nan 0.000 0.488 253 V N 1.301 121.219 119.914 0.008 0.000 2.379 253 V HA -0.167 3.953 4.120 0.000 0.000 0.245 253 V C 2.760 178.857 176.094 0.006 0.000 1.044 253 V CA 2.140 64.448 62.300 0.012 0.000 1.036 253 V CB -0.823 31.012 31.823 0.020 0.000 0.664 253 V HN 0.490 nan 8.190 nan 0.000 0.453 254 T N -1.805 112.746 114.554 -0.006 0.000 3.055 254 T HA 0.110 4.460 4.350 0.000 0.000 0.265 254 T C 1.615 176.305 174.700 -0.016 0.000 1.111 254 T CA 1.066 63.153 62.100 -0.021 0.000 1.118 254 T CB 0.008 68.846 68.868 -0.050 0.000 0.909 254 T HN 0.405 nan 8.240 nan 0.000 0.501 255 A N 1.027 123.842 122.820 -0.007 0.000 2.147 255 A HA 0.767 5.087 4.320 0.000 0.000 0.211 255 A C 1.523 179.107 177.584 0.001 0.000 1.160 255 A CA 0.210 52.245 52.037 -0.004 0.000 0.781 255 A CB -0.551 18.448 19.000 -0.002 0.000 0.842 255 A HN 0.727 nan 8.150 nan 0.000 0.475 256 A N 0.040 122.862 122.820 0.004 0.000 2.425 256 A HA 0.544 4.864 4.320 0.000 0.000 0.242 256 A C -0.077 177.513 177.584 0.011 0.000 1.077 256 A CA 0.001 52.044 52.037 0.010 0.000 0.781 256 A CB -0.101 18.907 19.000 0.014 0.000 1.020 256 A HN 0.374 nan 8.150 nan 0.000 0.494 257 I N 1.767 122.346 120.570 0.015 0.000 2.377 257 I HA 0.179 4.349 4.170 0.000 0.000 0.293 257 I C -0.266 175.870 176.117 0.030 0.000 0.987 257 I CA -0.741 60.572 61.300 0.020 0.000 1.185 257 I CB 1.572 39.584 38.000 0.020 0.000 1.341 257 I HN 0.601 nan 8.210 nan 0.000 0.455 258 L N 7.929 129.176 121.223 0.041 0.000 2.500 258 L HA 0.166 4.506 4.340 0.000 0.000 0.272 258 L C 1.060 177.964 176.870 0.057 0.000 1.149 258 L CA 0.680 55.555 54.840 0.058 0.000 0.897 258 L CB -0.021 42.092 42.059 0.090 0.000 1.178 258 L HN 0.538 nan 8.230 nan 0.000 0.473 259 R N 2.454 122.982 120.500 0.047 0.000 2.087 259 R HA 0.252 4.592 4.340 0.000 0.000 0.213 259 R C -0.022 176.302 176.300 0.041 0.000 1.137 259 R CA 0.427 56.551 56.100 0.040 0.000 1.022 259 R CB -0.403 29.916 30.300 0.031 0.000 0.920 259 R HN 0.633 nan 8.270 nan 0.000 0.451 260 N N 3.125 121.850 118.700 0.042 0.000 2.488 260 N HA 0.231 4.971 4.740 0.000 0.000 0.274 260 N C -2.459 173.079 175.510 0.047 0.000 1.111 260 N CA -1.378 51.695 53.050 0.038 0.000 0.974 260 N CB 0.570 39.078 38.487 0.034 0.000 1.089 260 N HN -0.078 nan 8.380 nan 0.000 0.465 261 P HA 0.120 nan 4.420 nan 0.000 0.268 261 P C -0.005 177.318 177.300 0.039 0.000 1.204 261 P CA -0.074 63.047 63.100 0.035 0.000 0.768 261 P CB 0.505 32.214 31.700 0.015 0.000 0.842 262 I N 1.017 121.617 120.570 0.049 0.000 2.488 262 I HA 0.537 4.707 4.170 0.000 0.000 0.299 262 I C -2.220 173.915 176.117 0.029 0.000 0.984 262 I CA -2.845 58.487 61.300 0.054 0.000 1.250 262 I CB 0.530 38.586 38.000 0.093 0.000 1.389 262 I HN 0.158 nan 8.210 nan 0.000 0.488 285 V N 2.500 122.293 119.914 -0.202 0.000 2.392 285 V HA -0.347 3.773 4.120 0.000 0.000 0.249 285 V C 3.022 178.962 176.094 -0.257 0.000 1.059 285 V CA 3.322 65.440 62.300 -0.303 0.000 1.051 285 V CB -1.455 30.312 31.823 -0.093 0.000 0.658 285 V HN 0.548 nan 8.190 nan 0.000 0.455 286 M N -0.244 119.270 119.600 -0.143 0.000 2.144 286 M HA -0.219 4.261 4.480 0.000 0.000 0.260 286 M C 2.312 178.530 176.300 -0.137 0.000 1.067 286 M CA 3.188 58.427 55.300 -0.102 0.000 1.095 286 M CB -1.953 30.618 32.600 -0.049 0.000 1.365 286 M HN 0.642 nan 8.290 nan 0.000 0.406 287 Q N -0.612 119.072 119.800 -0.193 0.000 2.083 287 Q HA -0.108 4.232 4.340 0.000 0.000 0.198 287 Q C 2.327 178.179 176.000 -0.247 0.000 0.969 287 Q CA 2.163 57.854 55.803 -0.187 0.000 0.838 287 Q CB -1.374 27.265 28.738 -0.165 0.000 0.900 287 Q HN 0.884 nan 8.270 nan 0.000 0.436 288 S N 0.389 115.843 115.700 -0.410 0.000 2.402 288 S HA -0.011 4.459 4.470 0.000 0.000 0.229 288 S C 2.005 176.457 174.600 -0.245 0.000 1.021 288 S CA 1.166 59.144 58.200 -0.371 0.000 0.974 288 S CB -0.277 62.615 63.200 -0.512 0.000 0.800 288 S HN 0.624 nan 8.310 nan 0.000 0.484 289 I N 1.921 122.370 120.570 -0.203 0.000 2.315 289 I HA -0.150 4.020 4.170 0.000 0.000 0.248 289 I C 2.011 178.082 176.117 -0.078 0.000 1.117 289 I CA 0.807 62.038 61.300 -0.115 0.000 1.404 289 I CB -0.330 37.629 38.000 -0.069 0.000 1.071 289 I HN 0.259 nan 8.210 nan 0.000 0.419 290 N N 1.292 119.938 118.700 -0.089 0.000 2.207 290 N HA -0.131 4.609 4.740 0.000 0.000 0.182 290 N C 2.099 177.573 175.510 -0.061 0.000 1.020 290 N CA 1.690 54.699 53.050 -0.068 0.000 0.858 290 N CB -0.268 38.182 38.487 -0.061 0.000 0.991 290 N HN 0.339 nan 8.380 nan 0.000 0.427 291 K N 1.230 121.585 120.400 -0.075 0.000 2.148 291 K HA 0.180 4.500 4.320 0.000 0.000 0.204 291 K C 2.116 178.688 176.600 -0.046 0.000 1.050 291 K CA 1.283 57.536 56.287 -0.057 0.000 0.942 291 K CB -0.902 31.556 32.500 -0.070 0.000 0.724 291 K HN 0.277 nan 8.250 nan 0.000 0.446 292 A N 0.942 123.724 122.820 -0.064 0.000 1.930 292 A HA 0.330 4.650 4.320 0.000 0.000 0.217 292 A C 2.772 180.367 177.584 0.017 0.000 1.175 292 A CA 1.777 53.794 52.037 -0.034 0.000 0.627 292 A CB -0.681 18.267 19.000 -0.087 0.000 0.815 292 A HN 0.813 nan 8.150 nan 0.000 0.443 293 A N 0.194 123.014 122.820 0.000 0.000 1.930 293 A HA -0.160 4.160 4.320 0.000 0.000 0.217 293 A C 1.758 179.330 177.584 -0.019 0.000 1.175 293 A CA 1.728 53.759 52.037 -0.010 0.000 0.627 293 A CB -0.508 18.459 19.000 -0.056 0.000 0.815 293 A HN 0.483 nan 8.150 nan 0.000 0.443 294 D N 0.123 120.513 120.400 -0.016 0.000 2.097 294 D HA -0.143 4.497 4.640 0.000 0.000 0.195 294 D C 1.972 178.290 176.300 0.031 0.000 0.989 294 D CA 1.042 55.048 54.000 0.010 0.000 0.827 294 D CB -0.446 40.360 40.800 0.011 0.000 0.966 294 D HN 0.407 nan 8.370 nan 0.000 0.456 295 L N 0.711 121.948 121.223 0.023 0.000 2.079 295 L HA -0.182 4.158 4.340 0.000 0.000 0.210 295 L C 2.517 179.411 176.870 0.041 0.000 1.081 295 L CA 0.834 55.691 54.840 0.029 0.000 0.752 295 L CB -0.189 41.886 42.059 0.026 0.000 0.896 295 L HN 0.040 nan 8.230 nan 0.000 0.433 296 I N -0.465 120.136 120.570 0.052 0.000 2.252 296 I HA -0.280 3.890 4.170 0.000 0.000 0.245 296 I C 2.005 178.162 176.117 0.067 0.000 1.102 296 I CA 0.954 62.292 61.300 0.064 0.000 1.385 296 I CB -0.436 37.609 38.000 0.076 0.000 1.064 296 I HN 0.343 nan 8.210 nan 0.000 0.414 297 N N 0.826 119.572 118.700 0.078 0.000 2.364 297 N HA -0.151 4.589 4.740 0.000 0.000 0.183 297 N C 1.754 177.337 175.510 0.121 0.000 1.022 297 N CA 1.108 54.249 53.050 0.152 0.000 0.883 297 N CB -0.121 38.520 38.487 0.256 0.000 0.965 297 N HN 0.276 nan 8.380 nan 0.000 0.438 298 L N 0.781 122.047 121.223 0.072 0.000 2.307 298 L HA 0.298 4.638 4.340 0.000 0.000 0.211 298 L C 0.621 177.490 176.870 -0.000 0.000 1.099 298 L CA 0.258 55.119 54.840 0.036 0.000 0.816 298 L CB -0.560 41.515 42.059 0.027 0.000 0.952 298 L HN -0.076 nan 8.230 nan 0.000 0.455 299 A N 0.044 122.863 122.820 -0.002 0.000 2.565 299 A HA 0.107 4.427 4.320 0.000 0.000 0.237 299 A C 1.056 178.588 177.584 -0.087 0.000 1.053 299 A CA 0.264 52.274 52.037 -0.045 0.000 0.755 299 A CB 0.113 19.099 19.000 -0.023 0.000 0.980 299 A HN 0.302 nan 8.150 nan 0.000 0.506 300 K N 1.542 121.843 120.400 -0.164 0.000 2.350 300 K HA 0.146 4.466 4.320 0.000 0.000 0.196 300 K C 0.806 177.149 176.600 -0.428 0.000 1.084 300 K CA 1.422 57.579 56.287 -0.216 0.000 0.967 300 K CB 0.313 32.699 32.500 -0.189 0.000 0.950 300 K HN 0.748 nan 8.250 nan 0.000 0.512 301 K N 2.857 122.877 120.400 -0.632 0.000 3.146 301 K HA 0.261 4.581 4.320 0.000 0.000 0.168 301 K C -2.838 173.325 176.600 -0.727 0.000 1.075 301 K CA -1.585 53.824 56.287 -1.463 0.000 0.843 301 K CB 0.545 31.929 32.500 -1.860 0.000 1.002 301 K HN -0.041 nan 8.250 nan 0.000 0.597 302 P HA 0.544 nan 4.420 nan 0.000 0.276 302 P C -0.587 176.930 177.300 0.360 0.000 1.244 302 P CA -0.542 62.613 63.100 0.092 0.000 0.801 302 P CB 1.956 33.711 31.700 0.092 0.000 1.006 303 V N 3.488 123.563 119.914 0.268 0.000 2.777 303 V HA 0.343 4.463 4.120 0.000 0.000 0.306 303 V C -1.025 175.171 176.094 0.171 0.000 1.112 303 V CA -0.996 61.462 62.300 0.263 0.000 0.917 303 V CB 1.859 33.847 31.823 0.275 0.000 1.018 303 V HN 0.329 nan 8.190 nan 0.000 0.426 304 L N 6.829 128.115 121.223 0.105 0.000 2.260 304 L HA 0.417 4.757 4.340 0.000 0.000 0.289 304 L C -0.983 175.937 176.870 0.083 0.000 1.057 304 L CA -0.554 54.322 54.840 0.061 0.000 0.811 304 L CB 0.994 43.029 42.059 -0.039 0.000 1.184 304 L HN 0.794 nan 8.230 nan 0.000 0.429 305 Y N 5.622 125.906 120.300 -0.027 0.000 2.700 305 Y HA 0.447 4.997 4.550 0.000 0.000 0.333 305 Y C -0.666 175.183 175.900 -0.085 0.000 1.036 305 Y CA -1.130 56.930 58.100 -0.067 0.000 1.287 305 Y CB 0.418 38.832 38.460 -0.076 0.000 1.132 305 Y HN 0.188 nan 8.280 nan 0.000 0.510 306 V N 5.809 125.628 119.914 -0.159 0.000 2.481 306 V HA 0.808 4.928 4.120 0.000 0.000 0.286 306 V C 0.653 176.591 176.094 -0.260 0.000 1.042 306 V CA 0.014 62.179 62.300 -0.226 0.000 0.928 306 V CB 0.983 32.731 31.823 -0.125 0.000 0.986 306 V HN 0.890 nan 8.190 nan 0.000 0.462 307 G N 1.832 110.472 108.800 -0.267 0.000 3.251 307 G HA2 0.578 4.538 3.960 0.000 0.000 0.248 307 G HA3 0.578 4.538 3.960 0.000 0.000 0.248 307 G C 0.818 175.648 174.900 -0.116 0.000 1.320 307 G CA -0.010 44.966 45.100 -0.207 0.000 0.982 307 G HN 0.853 nan 8.290 nan 0.000 0.575 308 A N -0.853 121.911 122.820 -0.092 0.000 2.070 308 A HA 0.127 4.447 4.320 0.000 0.000 0.220 308 A C 2.440 180.004 177.584 -0.034 0.000 1.159 308 A CA 2.309 54.312 52.037 -0.058 0.000 0.656 308 A CB -0.915 18.052 19.000 -0.055 0.000 0.800 308 A HN 1.180 nan 8.150 nan 0.000 0.453 309 G N -0.067 108.709 108.800 -0.040 0.000 2.432 309 G HA2 -0.185 3.775 3.960 0.000 0.000 0.219 309 G HA3 -0.185 3.775 3.960 0.000 0.000 0.219 309 G C 1.360 176.263 174.900 0.005 0.000 1.135 309 G CA 1.137 46.230 45.100 -0.011 0.000 0.767 309 G HN 0.477 nan 8.290 nan 0.000 0.550 310 I N 0.399 120.957 120.570 -0.021 0.000 2.614 310 I HA 0.084 4.254 4.170 0.000 0.000 0.258 310 I C 2.086 178.216 176.117 0.021 0.000 1.189 310 I CA 0.561 61.852 61.300 -0.014 0.000 1.462 310 I CB 0.032 38.006 38.000 -0.043 0.000 1.092 310 I HN 0.091 nan 8.210 nan 0.000 0.442 311 L N -0.436 120.797 121.223 0.016 0.000 2.591 311 L HA 0.098 4.438 4.340 0.000 0.000 0.228 311 L C 1.183 178.166 176.870 0.189 0.000 1.133 311 L CA 0.316 55.180 54.840 0.039 0.000 0.880 311 L CB -0.629 41.396 42.059 -0.057 0.000 1.033 311 L HN 0.204 nan 8.230 nan 0.000 0.450 312 N N -1.033 117.746 118.700 0.131 0.000 2.314 312 N HA -0.010 4.730 4.740 0.000 0.000 0.200 312 N C -0.133 175.459 175.510 0.138 0.000 1.135 312 N CA -0.024 53.097 53.050 0.118 0.000 0.835 312 N CB 0.310 38.839 38.487 0.070 0.000 0.989 312 N HN 0.166 nan 8.380 nan 0.000 0.478 313 H N -0.458 118.655 119.070 0.072 0.000 2.966 313 H HA 0.259 4.815 4.556 0.000 0.000 0.347 313 H C 0.190 175.564 175.328 0.076 0.000 1.048 313 H CA -0.510 55.571 56.048 0.055 0.000 1.295 313 H CB 1.630 31.412 29.762 0.033 0.000 1.744 313 H HN 0.005 nan 8.280 nan 0.000 0.513 314 A N 3.381 126.289 122.820 0.147 0.000 1.958 314 A HA -0.193 4.127 4.320 0.000 0.000 0.221 314 A C 1.261 179.003 177.584 0.263 0.000 1.178 314 A CA 2.053 54.202 52.037 0.187 0.000 0.642 314 A CB -0.056 18.979 19.000 0.060 0.000 0.816 314 A HN 0.734 nan 8.150 nan 0.000 0.453 315 D N -0.925 119.740 120.400 0.442 0.000 2.339 315 D HA 0.127 4.767 4.640 0.000 0.000 0.217 315 D C 1.776 178.100 176.300 0.041 0.000 1.050 315 D CA 0.758 54.858 54.000 0.167 0.000 0.856 315 D CB -0.287 40.567 40.800 0.091 0.000 0.922 315 D HN 0.424 nan 8.370 nan 0.000 0.518 316 G N 2.686 111.533 108.800 0.079 0.000 2.545 316 G HA2 -0.236 3.724 3.960 0.000 0.000 0.217 316 G HA3 -0.236 3.724 3.960 0.000 0.000 0.217 316 G C -0.647 174.256 174.900 0.006 0.000 1.218 316 G CA 0.582 45.685 45.100 0.006 0.000 0.787 316 G HN 0.263 nan 8.290 nan 0.000 0.571 317 P HA -0.111 nan 4.420 nan 0.000 0.216 317 P C 1.920 179.239 177.300 0.033 0.000 1.153 317 P CA 1.351 64.472 63.100 0.034 0.000 0.858 317 P CB -0.083 31.630 31.700 0.022 0.000 0.789 318 R N -0.070 120.445 120.500 0.024 0.000 2.070 318 R HA -0.109 4.231 4.340 0.000 0.000 0.233 318 R C 2.214 178.521 176.300 0.011 0.000 1.137 318 R CA 1.517 57.627 56.100 0.017 0.000 0.945 318 R CB -0.970 29.342 30.300 0.019 0.000 0.845 318 R HN 0.157 nan 8.270 nan 0.000 0.430 319 L N 0.881 122.098 121.223 -0.011 0.000 2.083 319 L HA -0.188 4.152 4.340 0.000 0.000 0.209 319 L C 2.546 179.407 176.870 -0.015 0.000 1.083 319 L CA 0.511 55.334 54.840 -0.029 0.000 0.752 319 L CB -0.517 41.496 42.059 -0.077 0.000 0.899 319 L HN 0.291 nan 8.230 nan 0.000 0.433 320 L N 0.607 121.831 121.223 0.002 0.000 2.012 320 L HA -0.247 4.093 4.340 0.000 0.000 0.210 320 L C 2.593 179.538 176.870 0.125 0.000 1.073 320 L CA 1.930 56.793 54.840 0.037 0.000 0.748 320 L CB -0.657 41.449 42.059 0.078 0.000 0.891 320 L HN 0.157 nan 8.230 nan 0.000 0.431 321 K N -0.574 119.913 120.400 0.145 0.000 2.057 321 K HA -0.262 4.058 4.320 0.000 0.000 0.207 321 K C 2.144 178.811 176.600 0.112 0.000 1.049 321 K CA 1.788 58.172 56.287 0.161 0.000 0.931 321 K CB -0.233 32.289 32.500 0.037 0.000 0.714 321 K HN 0.575 nan 8.250 nan 0.000 0.440 322 E N 0.411 120.648 120.200 0.063 0.000 2.038 322 E HA -0.223 4.127 4.350 0.000 0.000 0.195 322 E C 2.065 178.698 176.600 0.054 0.000 1.000 322 E CA 1.250 57.677 56.400 0.046 0.000 0.803 322 E CB -0.103 29.610 29.700 0.021 0.000 0.750 322 E HN 0.281 nan 8.360 nan 0.000 0.448 323 L N 0.492 121.739 121.223 0.040 0.000 2.131 323 L HA -0.123 4.217 4.340 0.000 0.000 0.210 323 L C 2.362 179.276 176.870 0.074 0.000 1.092 323 L CA 1.968 56.829 54.840 0.035 0.000 0.759 323 L CB -0.628 41.424 42.059 -0.012 0.000 0.903 323 L HN 0.061 nan 8.230 nan 0.000 0.435 324 S N -0.979 114.787 115.700 0.110 0.000 2.355 324 S HA -0.169 4.301 4.470 0.000 0.000 0.222 324 S C 1.713 176.416 174.600 0.172 0.000 1.031 324 S CA 1.431 59.724 58.200 0.155 0.000 0.993 324 S CB -0.362 62.988 63.200 0.250 0.000 0.859 324 S HN 0.588 nan 8.310 nan 0.000 0.453 325 D N 0.698 121.190 120.400 0.154 0.000 2.149 325 D HA -0.051 4.589 4.640 0.000 0.000 0.201 325 D C 2.174 178.544 176.300 0.115 0.000 0.972 325 D CA 0.611 54.693 54.000 0.135 0.000 0.835 325 D CB -0.304 40.556 40.800 0.101 0.000 0.966 325 D HN 0.399 nan 8.370 nan 0.000 0.476 326 R N 0.798 121.355 120.500 0.095 0.000 2.070 326 R HA -0.061 4.279 4.340 0.000 0.000 0.233 326 R C 1.554 177.911 176.300 0.094 0.000 1.137 326 R CA 1.583 57.733 56.100 0.082 0.000 0.945 326 R CB -0.036 30.301 30.300 0.062 0.000 0.845 326 R HN 0.045 nan 8.270 nan 0.000 0.430 327 A N 0.250 123.132 122.820 0.102 0.000 2.423 327 A HA 0.126 4.446 4.320 0.000 0.000 0.246 327 A C -0.326 177.338 177.584 0.135 0.000 1.278 327 A CA -0.290 51.811 52.037 0.107 0.000 0.903 327 A CB 0.481 19.539 19.000 0.097 0.000 0.997 327 A HN 0.405 nan 8.150 nan 0.000 0.510 328 Q N -0.313 119.591 119.800 0.173 0.000 2.448 328 Q HA -0.181 4.159 4.340 0.000 0.000 0.356 328 Q C -0.747 175.469 176.000 0.360 0.000 1.430 328 Q CA 1.079 57.051 55.803 0.282 0.000 1.011 328 Q CB -1.641 27.231 28.738 0.223 0.000 1.203 328 Q HN 0.744 nan 8.270 nan 0.000 0.351 329 I N 2.258 123.000 120.570 0.287 0.000 2.362 329 I HA 0.313 4.483 4.170 0.000 0.000 0.289 329 I C -1.778 174.455 176.117 0.193 0.000 0.994 329 I CA -2.204 59.261 61.300 0.275 0.000 1.158 329 I CB 1.874 39.980 38.000 0.176 0.000 1.315 329 I HN -0.026 nan 8.210 nan 0.000 0.451 330 P HA 0.079 nan 4.420 nan 0.000 0.268 330 P C -0.733 176.505 177.300 -0.102 0.000 1.205 330 P CA -0.024 63.075 63.100 -0.001 0.000 0.771 330 P CB 1.428 33.112 31.700 -0.026 0.000 0.858 331 V N 3.045 122.756 119.914 -0.338 0.000 2.448 331 V HA 0.402 4.522 4.120 0.000 0.000 0.295 331 V C 0.628 176.524 176.094 -0.330 0.000 1.025 331 V CA -0.252 61.762 62.300 -0.476 0.000 0.859 331 V CB 1.631 32.764 31.823 -1.150 0.000 0.988 331 V HN 0.636 nan 8.190 nan 0.000 0.431 332 T N 3.269 117.736 114.554 -0.145 0.000 2.885 332 T HA 0.756 5.106 4.350 0.000 0.000 0.285 332 T C -0.221 174.477 174.700 -0.002 0.000 1.019 332 T CA -0.113 61.960 62.100 -0.045 0.000 1.010 332 T CB 1.520 70.394 68.868 0.011 0.000 1.022 332 T HN 0.981 nan 8.240 nan 0.000 0.466 333 T N 0.414 114.984 114.554 0.027 0.000 2.916 333 T HA 0.706 5.056 4.350 0.000 0.000 0.292 333 T C 0.430 175.163 174.700 0.054 0.000 1.055 333 T CA -0.634 61.483 62.100 0.028 0.000 1.009 333 T CB 1.273 70.149 68.868 0.013 0.000 1.118 333 T HN 0.778 nan 8.240 nan 0.000 0.497 334 T N 0.106 114.682 114.554 0.036 0.000 2.770 334 T HA 0.343 4.693 4.350 0.000 0.000 0.281 334 T C 1.386 176.092 174.700 0.010 0.000 0.981 334 T CA -0.631 61.495 62.100 0.043 0.000 0.955 334 T CB 0.438 69.318 68.868 0.019 0.000 1.060 334 T HN 0.570 nan 8.240 nan 0.000 0.531 335 L N 0.464 121.697 121.223 0.017 0.000 2.042 335 L HA -0.083 4.257 4.340 0.000 0.000 0.210 335 L C 2.490 179.373 176.870 0.021 0.000 1.076 335 L CA 1.756 56.619 54.840 0.038 0.000 0.749 335 L CB -0.816 41.263 42.059 0.033 0.000 0.893 335 L HN 0.607 nan 8.230 nan 0.000 0.432 336 Q N -0.780 118.999 119.800 -0.036 0.000 2.444 336 Q HA 0.116 4.456 4.340 0.000 0.000 0.206 336 Q C 1.832 177.794 176.000 -0.063 0.000 0.948 336 Q CA 0.911 56.674 55.803 -0.067 0.000 0.946 336 Q CB 0.008 28.696 28.738 -0.084 0.000 1.027 336 Q HN 0.635 nan 8.270 nan 0.000 0.513 337 G N -0.122 108.643 108.800 -0.058 0.000 2.887 337 G HA2 0.138 4.098 3.960 0.000 0.000 0.211 337 G HA3 0.138 4.098 3.960 0.000 0.000 0.211 337 G C 0.612 175.474 174.900 -0.063 0.000 1.152 337 G CA -0.342 44.721 45.100 -0.062 0.000 0.769 337 G HN 0.161 nan 8.290 nan 0.000 0.541 338 L N 0.818 121.971 121.223 -0.116 0.000 2.578 338 L HA 0.283 4.623 4.340 0.000 0.000 0.279 338 L C 1.652 178.405 176.870 -0.195 0.000 1.227 338 L CA 1.263 55.951 54.840 -0.253 0.000 0.900 338 L CB 0.435 42.031 42.059 -0.771 0.000 1.144 338 L HN 0.365 nan 8.230 nan 0.000 0.496 339 G N 1.375 110.179 108.800 0.007 0.000 2.254 339 G HA2 -0.326 3.634 3.960 0.000 0.000 0.225 339 G HA3 -0.326 3.634 3.960 0.000 0.000 0.225 339 G C 0.981 175.915 174.900 0.056 0.000 1.003 339 G CA 0.425 45.582 45.100 0.096 0.000 0.622 339 G HN 0.712 nan 8.290 nan 0.000 0.507 340 S N -1.069 114.653 115.700 0.037 0.000 2.461 340 S HA 0.511 4.981 4.470 0.000 0.000 0.228 340 S C 0.555 175.246 174.600 0.152 0.000 1.005 340 S CA 0.892 59.116 58.200 0.040 0.000 0.942 340 S CB 0.152 63.361 63.200 0.015 0.000 0.776 340 S HN 1.050 nan 8.310 nan 0.000 0.514 341 F N 2.001 121.962 119.950 0.019 0.000 2.551 341 F HA 0.515 5.042 4.527 0.000 0.000 0.316 341 F C -0.926 174.913 175.800 0.065 0.000 1.089 341 F CA -1.455 56.565 58.000 0.033 0.000 0.915 341 F CB 1.780 40.795 39.000 0.025 0.000 1.186 341 F HN -0.065 nan 8.300 nan 0.000 0.456 342 D N 3.825 123.894 120.400 -0.551 0.000 2.346 342 D HA 0.088 4.728 4.640 0.000 0.000 0.260 342 D C 0.537 176.753 176.300 -0.141 0.000 1.252 342 D CA 0.435 54.259 54.000 -0.293 0.000 0.895 342 D CB 0.964 41.559 40.800 -0.341 0.000 1.097 342 D HN 0.631 nan 8.370 nan 0.000 0.489 343 Q N 2.430 122.279 119.800 0.081 0.000 2.515 343 Q HA -0.077 4.263 4.340 0.000 0.000 0.212 343 Q C 0.802 176.838 176.000 0.061 0.000 0.970 343 Q CA 0.548 56.440 55.803 0.148 0.000 0.941 343 Q CB 0.412 29.256 28.738 0.178 0.000 0.998 343 Q HN 0.614 nan 8.270 nan 0.000 0.518 344 E N 0.833 121.029 120.200 -0.008 0.000 2.230 344 E HA -0.057 4.293 4.350 0.000 0.000 0.192 344 E C 0.451 177.035 176.600 -0.027 0.000 0.987 344 E CA 0.261 56.645 56.400 -0.027 0.000 0.841 344 E CB 0.045 29.715 29.700 -0.049 0.000 0.783 344 E HN 0.299 nan 8.360 nan 0.000 0.481 345 D N 1.397 121.769 120.400 -0.048 0.000 2.458 345 D HA -0.024 4.616 4.640 0.000 0.000 0.243 345 D C -1.736 174.590 176.300 0.044 0.000 1.146 345 D CA -1.606 52.380 54.000 -0.024 0.000 0.877 345 D CB 1.582 42.321 40.800 -0.101 0.000 1.176 345 D HN -0.179 nan 8.370 nan 0.000 0.461 346 P HA -0.115 nan 4.420 nan 0.000 0.219 346 P C 0.754 177.989 177.300 -0.109 0.000 1.146 346 P CA 1.272 64.335 63.100 -0.062 0.000 0.808 346 P CB 0.234 31.878 31.700 -0.092 0.000 0.779 347 K N -0.769 119.612 120.400 -0.032 0.000 2.525 347 K HA 0.054 4.374 4.320 0.000 0.000 0.192 347 K C 0.827 177.429 176.600 0.004 0.000 1.029 347 K CA 0.131 56.376 56.287 -0.070 0.000 1.029 347 K CB -0.183 32.363 32.500 0.076 0.000 0.814 347 K HN 0.046 nan 8.250 nan 0.000 0.503 348 S N 0.927 116.729 115.700 0.171 0.000 2.505 348 S HA 0.145 4.615 4.470 0.000 0.000 0.276 348 S C 0.846 175.452 174.600 0.010 0.000 1.274 348 S CA -0.453 57.847 58.200 0.168 0.000 1.053 348 S CB 0.433 63.837 63.200 0.340 0.000 0.919 348 S HN 0.188 nan 8.310 nan 0.000 0.490 349 L N 3.902 125.098 121.223 -0.046 0.000 2.585 349 L HA 0.263 4.603 4.340 0.000 0.000 0.226 349 L C 1.118 177.975 176.870 -0.022 0.000 1.113 349 L CA 0.155 54.962 54.840 -0.054 0.000 0.876 349 L CB -0.401 41.616 42.059 -0.070 0.000 1.072 349 L HN 0.823 nan 8.230 nan 0.000 0.468 350 D N -0.354 120.067 120.400 0.035 0.000 3.717 350 D HA -0.256 4.384 4.640 0.000 0.000 0.256 350 D C -0.322 176.028 176.300 0.084 0.000 1.849 350 D CA 0.623 54.679 54.000 0.094 0.000 1.170 350 D CB -0.270 40.578 40.800 0.081 0.000 0.828 350 D HN -0.044 nan 8.370 nan 0.000 1.027 351 M N 1.448 121.125 119.600 0.128 0.000 2.249 351 M HA 0.445 4.925 4.480 0.000 0.000 0.351 351 M C 0.158 176.501 176.300 0.072 0.000 1.180 351 M CA -0.460 54.901 55.300 0.102 0.000 1.127 351 M CB 0.666 33.338 32.600 0.120 0.000 1.546 351 M HN 0.377 nan 8.290 nan 0.000 0.461 352 L N 2.815 124.067 121.223 0.049 0.000 2.347 352 L HA 1.095 5.435 4.340 0.000 0.000 0.268 352 L C 0.028 176.911 176.870 0.020 0.000 1.019 352 L CA -0.143 54.706 54.840 0.015 0.000 0.806 352 L CB 1.396 43.452 42.059 -0.006 0.000 1.339 352 L HN 0.835 nan 8.230 nan 0.000 0.463 353 G N -0.059 108.741 108.800 0.000 0.000 2.447 353 G HA2 -0.248 3.712 3.960 0.000 0.000 0.220 353 G HA3 -0.248 3.712 3.960 0.000 0.000 0.220 353 G C 0.085 174.976 174.900 -0.016 0.000 1.261 353 G CA 0.095 45.192 45.100 -0.004 0.000 1.000 353 G HN 1.078 nan 8.290 nan 0.000 0.515 354 M N -0.843 118.729 119.600 -0.048 0.000 2.103 354 M HA -0.137 4.343 4.480 0.000 0.000 0.255 354 M C 1.429 177.576 176.300 -0.256 0.000 1.074 354 M CA 2.516 57.725 55.300 -0.153 0.000 1.090 354 M CB -0.224 32.261 32.600 -0.192 0.000 1.325 354 M HN 0.574 nan 8.290 nan 0.000 0.403 355 H N -0.326 118.767 119.070 0.039 0.000 2.467 355 H HA 0.377 4.933 4.556 0.000 0.000 0.275 355 H C 0.295 175.650 175.328 0.044 0.000 1.131 355 H CA 0.252 56.317 56.048 0.029 0.000 0.989 355 H CB -0.448 29.304 29.762 -0.018 0.000 1.696 355 H HN 0.423 nan 8.280 nan 0.000 0.574 356 G N 0.068 108.937 108.800 0.114 0.000 2.562 356 G HA2 0.169 4.129 3.960 0.000 0.000 0.275 356 G HA3 0.169 4.129 3.960 0.000 0.000 0.275 356 G C -0.053 174.902 174.900 0.092 0.000 1.196 356 G CA -0.440 44.727 45.100 0.113 0.000 0.908 356 G HN 0.431 nan 8.290 nan 0.000 0.524 357 C N 0.901 120.244 119.300 0.072 0.000 2.642 357 C HA 0.408 4.868 4.460 0.000 0.000 0.420 357 C C 2.157 176.963 174.990 -0.307 0.000 1.349 357 C CA 0.191 59.105 59.018 -0.172 0.000 1.821 357 C CB -0.414 27.155 27.740 -0.285 0.000 2.637 357 C HN 0.923 nan 8.230 nan 0.000 0.605 358 A N 4.764 127.288 122.820 -0.493 0.000 1.940 358 A HA -0.116 4.204 4.320 0.000 0.000 0.219 358 A C 2.185 179.438 177.584 -0.551 0.000 1.176 358 A CA 2.641 54.166 52.037 -0.855 0.000 0.631 358 A CB -1.128 17.115 19.000 -1.262 0.000 0.814 358 A HN 0.972 nan 8.150 nan 0.000 0.446 359 T N 0.251 114.617 114.554 -0.314 0.000 2.708 359 T HA -0.047 4.303 4.350 0.000 0.000 0.266 359 T C 2.245 176.810 174.700 -0.224 0.000 1.037 359 T CA 1.693 63.680 62.100 -0.189 0.000 1.146 359 T CB -0.504 68.356 68.868 -0.015 0.000 0.865 359 T HN 0.632 nan 8.240 nan 0.000 0.435 360 A N 2.484 125.194 122.820 -0.183 0.000 1.883 360 A HA -0.188 4.132 4.320 0.000 0.000 0.217 360 A C 2.272 179.766 177.584 -0.150 0.000 1.186 360 A CA 1.703 53.663 52.037 -0.127 0.000 0.624 360 A CB -0.699 18.253 19.000 -0.081 0.000 0.822 360 A HN 0.393 nan 8.150 nan 0.000 0.444 361 N N 0.064 118.646 118.700 -0.195 0.000 2.120 361 N HA -0.075 4.665 4.740 0.000 0.000 0.188 361 N C 1.664 177.043 175.510 -0.218 0.000 1.024 361 N CA 1.312 54.265 53.050 -0.161 0.000 0.852 361 N CB -0.504 37.903 38.487 -0.133 0.000 1.003 361 N HN 0.516 nan 8.380 nan 0.000 0.424 362 L N 0.560 121.537 121.223 -0.412 0.000 2.056 362 L HA -0.081 4.259 4.340 0.000 0.000 0.207 362 L C 2.412 178.990 176.870 -0.486 0.000 1.078 362 L CA 1.016 55.460 54.840 -0.660 0.000 0.749 362 L CB -0.487 40.673 42.059 -1.498 0.000 0.901 362 L HN 0.102 nan 8.230 nan 0.000 0.433 363 A N -0.177 122.455 122.820 -0.313 0.000 1.883 363 A HA -0.167 4.153 4.320 0.000 0.000 0.217 363 A C 2.329 180.029 177.584 0.193 0.000 1.186 363 A CA 1.918 54.017 52.037 0.104 0.000 0.624 363 A CB -0.899 18.132 19.000 0.052 0.000 0.822 363 A HN 0.185 nan 8.150 nan 0.000 0.444 364 V N 0.109 120.035 119.914 0.020 0.000 2.407 364 V HA -0.252 3.868 4.120 0.000 0.000 0.248 364 V C 2.642 178.665 176.094 -0.118 0.000 1.055 364 V CA 2.018 64.291 62.300 -0.045 0.000 1.049 364 V CB -0.721 31.031 31.823 -0.119 0.000 0.662 364 V HN 0.551 nan 8.190 nan 0.000 0.455 365 Q N -0.245 119.489 119.800 -0.109 0.000 2.230 365 Q HA -0.039 4.301 4.340 0.000 0.000 0.202 365 Q C 1.708 177.699 176.000 -0.014 0.000 0.963 365 Q CA 0.880 56.615 55.803 -0.113 0.000 0.866 365 Q CB -0.302 28.380 28.738 -0.093 0.000 0.931 365 Q HN 0.656 nan 8.270 nan 0.000 0.452 366 N N -0.127 118.645 118.700 0.120 0.000 2.236 366 N HA 0.125 4.865 4.740 0.000 0.000 0.196 366 N C -0.037 175.565 175.510 0.153 0.000 1.114 366 N CA 0.086 53.271 53.050 0.226 0.000 0.859 366 N CB 0.670 39.466 38.487 0.515 0.000 0.982 366 N HN 0.027 nan 8.380 nan 0.000 0.493 367 A N 1.539 124.445 122.820 0.142 0.000 2.425 367 A HA 0.102 4.422 4.320 0.000 0.000 0.249 367 A C 1.019 178.551 177.584 -0.087 0.000 1.084 367 A CA -0.239 51.803 52.037 0.008 0.000 0.781 367 A CB 0.354 19.440 19.000 0.143 0.000 1.019 367 A HN 0.226 nan 8.150 nan 0.000 0.490 368 D N 0.713 121.015 120.400 -0.164 0.000 2.354 368 D HA 0.105 4.745 4.640 0.000 0.000 0.209 368 D C -0.065 176.196 176.300 -0.065 0.000 1.015 368 D CA 0.246 54.175 54.000 -0.118 0.000 0.867 368 D CB 0.123 40.831 40.800 -0.152 0.000 0.933 368 D HN 0.267 nan 8.370 nan 0.000 0.520 369 L N 0.673 121.871 121.223 -0.042 0.000 2.528 369 L HA 0.435 4.775 4.340 0.000 0.000 0.267 369 L C -1.809 175.104 176.870 0.071 0.000 0.961 369 L CA -0.637 54.213 54.840 0.018 0.000 0.866 369 L CB 2.065 44.136 42.059 0.020 0.000 1.248 369 L HN -0.127 nan 8.230 nan 0.000 0.404 370 I N 6.361 126.994 120.570 0.105 0.000 2.355 370 I HA 0.393 4.563 4.170 0.000 0.000 0.288 370 I C -0.425 175.833 176.117 0.235 0.000 0.999 370 I CA -0.442 60.958 61.300 0.166 0.000 1.163 370 I CB 1.433 39.531 38.000 0.163 0.000 1.316 370 I HN 0.505 nan 8.210 nan 0.000 0.454 371 I N 6.500 127.212 120.570 0.237 0.000 2.281 371 I HA 0.315 4.485 4.170 0.000 0.000 0.293 371 I C 0.657 176.948 176.117 0.290 0.000 1.085 371 I CA -0.263 61.204 61.300 0.279 0.000 1.257 371 I CB 0.887 39.017 38.000 0.217 0.000 1.430 371 I HN 0.567 nan 8.210 nan 0.000 0.489 372 A N 7.054 130.096 122.820 0.371 0.000 2.302 372 A HA 0.561 4.881 4.320 0.000 0.000 0.295 372 A C -0.182 177.555 177.584 0.256 0.000 1.235 372 A CA -0.284 51.890 52.037 0.228 0.000 0.876 372 A CB 0.287 19.455 19.000 0.280 0.000 1.133 372 A HN 0.493 nan 8.150 nan 0.000 0.533 373 V N 2.718 122.620 119.914 -0.021 0.000 2.326 373 V HA 0.567 4.687 4.120 0.000 0.000 0.281 373 V C 1.064 177.105 176.094 -0.088 0.000 1.015 373 V CA 0.366 62.659 62.300 -0.011 0.000 0.823 373 V CB 0.690 32.420 31.823 -0.156 0.000 1.009 373 V HN 1.750 nan 8.190 nan 0.000 0.436 374 G N 4.080 112.893 108.800 0.022 0.000 2.323 374 G HA2 0.058 4.018 3.960 0.000 0.000 0.292 374 G HA3 0.058 4.018 3.960 0.000 0.000 0.292 374 G C 0.124 174.960 174.900 -0.108 0.000 1.040 374 G CA 0.468 45.555 45.100 -0.021 0.000 0.942 374 G HN 1.568 nan 8.290 nan 0.000 0.506 375 A N -0.486 122.249 122.820 -0.142 0.000 2.475 375 A HA 0.876 5.197 4.320 0.000 0.000 0.301 375 A C 0.747 178.311 177.584 -0.033 0.000 1.059 375 A CA -0.039 51.803 52.037 -0.324 0.000 0.710 375 A CB 0.950 19.280 19.000 -1.118 0.000 1.288 375 A HN 1.037 nan 8.150 nan 0.000 0.408 376 R N 0.757 121.284 120.500 0.046 0.000 2.468 376 R HA 0.382 4.722 4.340 0.000 0.000 0.280 376 R C -1.028 175.513 176.300 0.403 0.000 0.963 376 R CA -0.077 56.187 56.100 0.273 0.000 1.083 376 R CB -0.476 29.918 30.300 0.157 0.000 1.200 376 R HN 0.638 nan 8.270 nan 0.000 0.541 377 F N 2.967 122.991 119.950 0.123 0.000 3.027 377 F HA -0.263 4.264 4.527 0.000 0.000 0.276 377 F C 0.124 175.877 175.800 -0.079 0.000 0.967 377 F CA 1.032 59.033 58.000 0.002 0.000 0.929 377 F CB -1.940 36.991 39.000 -0.115 0.000 0.873 377 F HN 0.453 nan 8.300 nan 0.000 0.787 378 D N 0.774 121.219 120.400 0.075 0.000 2.361 378 D HA 0.046 4.686 4.640 0.000 0.000 0.239 378 D C 1.077 177.360 176.300 -0.028 0.000 1.200 378 D CA 0.332 54.344 54.000 0.021 0.000 0.915 378 D CB 0.776 41.578 40.800 0.004 0.000 1.170 378 D HN 0.429 nan 8.370 nan 0.000 0.444 379 D N -0.249 120.132 120.400 -0.032 0.000 2.384 379 D HA -0.169 4.471 4.640 0.000 0.000 0.222 379 D C 1.237 177.513 176.300 -0.040 0.000 0.976 379 D CA 0.503 54.476 54.000 -0.045 0.000 0.915 379 D CB 0.015 40.796 40.800 -0.032 0.000 0.896 379 D HN 0.145 nan 8.370 nan 0.000 0.523 380 R N 0.054 120.533 120.500 -0.035 0.000 2.297 380 R HA 0.190 4.530 4.340 0.000 0.000 0.197 380 R C 1.411 177.691 176.300 -0.033 0.000 0.943 380 R CA 0.144 56.228 56.100 -0.026 0.000 1.038 380 R CB 0.126 30.415 30.300 -0.019 0.000 0.957 380 R HN 0.292 nan 8.270 nan 0.000 0.484 381 V N -0.021 119.858 119.914 -0.058 0.000 2.806 381 V HA -0.078 4.042 4.120 0.000 0.000 0.239 381 V C 2.208 178.220 176.094 -0.137 0.000 1.113 381 V CA 1.777 64.028 62.300 -0.081 0.000 1.137 381 V CB 0.107 31.882 31.823 -0.081 0.000 0.865 381 V HN 0.323 nan 8.190 nan 0.000 0.482 382 T N -1.750 112.645 114.554 -0.265 0.000 2.995 382 T HA 0.246 4.596 4.350 0.000 0.000 0.269 382 T C 1.345 176.002 174.700 -0.071 0.000 1.091 382 T CA 1.102 62.929 62.100 -0.455 0.000 1.128 382 T CB -0.207 68.219 68.868 -0.737 0.000 0.891 382 T HN 1.056 nan 8.240 nan 0.000 0.492 383 G N 2.119 110.896 108.800 -0.038 0.000 2.569 383 G HA2 -0.296 3.664 3.960 0.000 0.000 0.259 383 G HA3 -0.296 3.664 3.960 0.000 0.000 0.259 383 G C -0.291 174.618 174.900 0.016 0.000 1.263 383 G CA -0.145 44.966 45.100 0.018 0.000 0.928 383 G HN 0.753 nan 8.290 nan 0.000 0.572 384 N N 1.303 120.027 118.700 0.040 0.000 2.429 384 N HA 0.149 4.889 4.740 0.000 0.000 0.271 384 N C 1.993 177.541 175.510 0.063 0.000 1.272 384 N CA 0.531 53.602 53.050 0.035 0.000 0.921 384 N CB 0.099 38.605 38.487 0.032 0.000 1.128 384 N HN 0.476 nan 8.380 nan 0.000 0.481 385 I N 2.097 122.683 120.570 0.027 0.000 2.248 385 I HA -0.372 3.798 4.170 0.000 0.000 0.248 385 I C 2.152 178.328 176.117 0.098 0.000 1.107 385 I CA 1.345 62.667 61.300 0.037 0.000 1.373 385 I CB -0.332 37.658 38.000 -0.017 0.000 1.055 385 I HN 0.578 nan 8.210 nan 0.000 0.418 386 S N 0.408 116.145 115.700 0.063 0.000 2.453 386 S HA -0.079 4.391 4.470 0.000 0.000 0.231 386 S C 1.659 176.299 174.600 0.067 0.000 1.005 386 S CA 0.561 58.794 58.200 0.056 0.000 0.949 386 S CB -0.243 62.974 63.200 0.029 0.000 0.774 386 S HN 0.473 nan 8.310 nan 0.000 0.510 387 K N 0.105 120.556 120.400 0.085 0.000 2.372 387 K HA 0.288 4.608 4.320 0.000 0.000 0.200 387 K C -0.422 176.243 176.600 0.108 0.000 1.022 387 K CA -0.437 55.892 56.287 0.070 0.000 1.125 387 K CB 0.127 32.656 32.500 0.047 0.000 0.855 387 K HN 0.391 nan 8.250 nan 0.000 0.524 388 F N 2.463 122.408 119.950 -0.008 0.000 2.456 388 F HA 0.231 4.758 4.527 0.000 0.000 0.358 388 F C 0.563 176.362 175.800 -0.001 0.000 1.095 388 F CA -0.723 57.274 58.000 -0.006 0.000 1.216 388 F CB 0.439 39.441 39.000 0.004 0.000 1.125 388 F HN 0.238 nan 8.300 nan 0.000 0.549 389 A N 6.694 129.049 122.820 -0.776 0.000 2.312 389 A HA -0.192 4.128 4.320 0.000 0.000 0.286 389 A C -1.761 175.678 177.584 -0.241 0.000 1.425 389 A CA 0.515 52.194 52.037 -0.597 0.000 0.748 389 A CB -1.845 16.659 19.000 -0.825 0.000 1.126 389 A HN 0.678 nan 8.150 nan 0.000 0.368 390 P HA -0.175 nan 4.420 nan 0.000 0.216 390 P C 1.263 178.529 177.300 -0.057 0.000 1.153 390 P CA 1.379 64.439 63.100 -0.067 0.000 0.848 390 P CB 0.154 31.830 31.700 -0.040 0.000 0.787 391 E N 0.068 120.233 120.200 -0.058 0.000 2.153 391 E HA -0.110 4.240 4.350 0.000 0.000 0.194 391 E C 2.174 178.740 176.600 -0.057 0.000 0.988 391 E CA 1.332 57.704 56.400 -0.045 0.000 0.811 391 E CB -0.769 28.911 29.700 -0.032 0.000 0.746 391 E HN 0.230 nan 8.360 nan 0.000 0.466 392 A N 1.239 124.014 122.820 -0.076 0.000 1.929 392 A HA -0.141 4.179 4.320 0.000 0.000 0.216 392 A C 2.486 180.046 177.584 -0.040 0.000 1.176 392 A CA 2.211 54.212 52.037 -0.060 0.000 0.628 392 A CB -0.655 18.301 19.000 -0.074 0.000 0.816 392 A HN 0.290 nan 8.150 nan 0.000 0.444 393 R N -0.072 120.402 120.500 -0.043 0.000 2.092 393 R HA 0.001 4.341 4.340 0.000 0.000 0.231 393 R C 2.282 178.571 176.300 -0.019 0.000 1.119 393 R CA 1.572 57.658 56.100 -0.023 0.000 0.970 393 R CB -1.015 29.274 30.300 -0.018 0.000 0.864 393 R HN 0.581 nan 8.270 nan 0.000 0.440 394 R N -0.041 120.445 120.500 -0.024 0.000 2.075 394 R HA 0.034 4.374 4.340 0.000 0.000 0.232 394 R C 2.540 178.827 176.300 -0.022 0.000 1.126 394 R CA 1.510 57.598 56.100 -0.020 0.000 0.963 394 R CB -0.543 29.745 30.300 -0.021 0.000 0.858 394 R HN 0.488 nan 8.270 nan 0.000 0.435 395 A N 0.705 123.508 122.820 -0.029 0.000 1.933 395 A HA -0.093 4.227 4.320 0.000 0.000 0.218 395 A C 2.309 179.882 177.584 -0.019 0.000 1.175 395 A CA 1.713 53.732 52.037 -0.030 0.000 0.628 395 A CB -0.574 18.402 19.000 -0.041 0.000 0.814 395 A HN 0.475 nan 8.150 nan 0.000 0.444 396 A N -0.300 122.512 122.820 -0.014 0.000 1.969 396 A HA 0.228 4.548 4.320 0.000 0.000 0.218 396 A C 2.406 179.986 177.584 -0.006 0.000 1.169 396 A CA 1.768 53.801 52.037 -0.007 0.000 0.635 396 A CB -0.798 18.201 19.000 -0.003 0.000 0.810 396 A HN 1.020 nan 8.150 nan 0.000 0.445 397 A N -0.302 122.513 122.820 -0.008 0.000 2.015 397 A HA -0.080 4.240 4.320 0.000 0.000 0.219 397 A C 1.701 179.281 177.584 -0.007 0.000 1.163 397 A CA 1.391 53.424 52.037 -0.007 0.000 0.646 397 A CB -0.290 18.705 19.000 -0.007 0.000 0.806 397 A HN 0.611 nan 8.150 nan 0.000 0.448 398 E N -1.279 118.915 120.200 -0.010 0.000 2.463 398 E HA 0.287 4.637 4.350 0.000 0.000 0.193 398 E C 0.868 177.463 176.600 -0.009 0.000 1.041 398 E CA 0.132 56.526 56.400 -0.010 0.000 0.879 398 E CB 0.022 29.713 29.700 -0.014 0.000 0.997 398 E HN 0.650 nan 8.360 nan 0.000 0.478 399 G N 2.975 111.771 108.800 -0.007 0.000 2.249 399 G HA2 -0.350 3.610 3.960 0.000 0.000 0.273 399 G HA3 -0.350 3.610 3.960 0.000 0.000 0.273 399 G C 0.595 175.492 174.900 -0.005 0.000 1.036 399 G CA 0.838 45.936 45.100 -0.004 0.000 0.824 399 G HN 0.432 nan 8.290 nan 0.000 0.504 400 R N -1.106 119.388 120.500 -0.011 0.000 2.629 400 R HA 0.583 4.923 4.340 0.000 0.000 0.408 400 R C 0.876 177.164 176.300 -0.019 0.000 1.057 400 R CA 0.208 56.299 56.100 -0.015 0.000 1.119 400 R CB 0.609 30.895 30.300 -0.023 0.000 1.403 400 R HN 1.224 nan 8.270 nan 0.000 0.576 401 G N -0.910 107.883 108.800 -0.012 0.000 2.399 401 G HA2 0.435 4.395 3.960 0.000 0.000 0.256 401 G HA3 0.435 4.395 3.960 0.000 0.000 0.256 401 G C -0.395 174.506 174.900 0.002 0.000 1.236 401 G CA -0.086 45.008 45.100 -0.009 0.000 0.914 401 G HN 0.542 nan 8.290 nan 0.000 0.482 402 G N -1.151 107.652 108.800 0.005 0.000 2.317 402 G HA2 0.335 4.295 3.960 0.000 0.000 0.196 402 G HA3 0.335 4.295 3.960 0.000 0.000 0.196 402 G C -1.159 173.770 174.900 0.048 0.000 1.255 402 G CA -0.109 45.001 45.100 0.017 0.000 1.243 402 G HN 1.337 nan 8.290 nan 0.000 0.535 403 I N 1.095 121.705 120.570 0.066 0.000 2.498 403 I HA 0.562 4.732 4.170 0.000 0.000 0.290 403 I C -0.334 175.859 176.117 0.128 0.000 1.032 403 I CA -0.741 60.633 61.300 0.125 0.000 1.073 403 I CB 1.953 40.033 38.000 0.133 0.000 1.251 403 I HN 0.386 nan 8.210 nan 0.000 0.426 404 I N 5.013 125.692 120.570 0.181 0.000 2.404 404 I HA 0.340 4.510 4.170 0.000 0.000 0.293 404 I C -0.460 175.824 176.117 0.278 0.000 0.992 404 I CA -0.469 60.923 61.300 0.153 0.000 1.149 404 I CB 1.561 39.651 38.000 0.151 0.000 1.315 404 I HN 0.583 nan 8.210 nan 0.000 0.446 405 H N 6.249 125.351 119.070 0.054 0.000 2.708 405 H HA 0.386 4.942 4.556 0.000 0.000 0.320 405 H C -1.351 173.968 175.328 -0.015 0.000 0.991 405 H CA -0.800 55.335 56.048 0.145 0.000 1.243 405 H CB 1.085 30.947 29.762 0.167 0.000 1.446 405 H HN 0.409 nan 8.280 nan 0.000 0.502 406 F N 3.945 124.022 119.950 0.212 0.000 2.406 406 F HA 0.142 4.669 4.527 0.000 0.000 0.358 406 F C 0.276 176.023 175.800 -0.088 0.000 1.161 406 F CA -0.428 57.588 58.000 0.028 0.000 1.185 406 F CB 0.553 39.574 39.000 0.035 0.000 1.421 406 F HN 0.549 nan 8.300 nan 0.000 0.576 407 E N 1.519 121.613 120.200 -0.178 0.000 2.238 407 E HA 0.363 4.713 4.350 0.000 0.000 0.267 407 E C -0.122 176.412 176.600 -0.110 0.000 0.887 407 E CA -0.511 55.736 56.400 -0.256 0.000 0.769 407 E CB 2.053 31.361 29.700 -0.654 0.000 1.187 407 E HN 0.223 nan 8.360 nan 0.000 0.416 408 V N 2.583 122.464 119.914 -0.055 0.000 2.878 408 V HA 0.181 4.301 4.120 0.000 0.000 0.250 408 V C -0.018 176.057 176.094 -0.031 0.000 1.075 408 V CA 1.030 63.316 62.300 -0.023 0.000 1.096 408 V CB 0.244 32.065 31.823 -0.002 0.000 0.724 408 V HN 0.588 nan 8.190 nan 0.000 0.467 409 S N 1.365 117.037 115.700 -0.045 0.000 2.448 409 S HA 0.393 4.863 4.470 0.000 0.000 0.320 409 S C -1.811 172.769 174.600 -0.034 0.000 1.071 409 S CA -0.728 57.452 58.200 -0.033 0.000 1.113 409 S CB 1.567 64.749 63.200 -0.030 0.000 0.972 409 S HN 0.271 nan 8.310 nan 0.000 0.465 410 P HA -0.144 nan 4.420 nan 0.000 0.216 410 P C 0.860 178.159 177.300 -0.002 0.000 1.150 410 P CA 1.181 64.274 63.100 -0.011 0.000 0.843 410 P CB 0.144 31.843 31.700 -0.002 0.000 0.787 411 K N -1.413 118.990 120.400 0.004 0.000 2.442 411 K HA -0.021 4.299 4.320 0.000 0.000 0.198 411 K C 0.982 177.597 176.600 0.026 0.000 1.042 411 K CA 0.661 56.956 56.287 0.014 0.000 0.958 411 K CB -0.344 32.167 32.500 0.018 0.000 0.766 411 K HN 0.119 nan 8.250 nan 0.000 0.474 412 N N 0.581 119.299 118.700 0.029 0.000 2.230 412 N HA 0.134 4.874 4.740 0.000 0.000 0.202 412 N C -0.233 175.355 175.510 0.129 0.000 1.119 412 N CA 0.201 53.298 53.050 0.079 0.000 0.851 412 N CB 0.496 39.038 38.487 0.093 0.000 0.990 412 N HN 0.103 nan 8.380 nan 0.000 0.497 413 I N 1.258 121.866 120.570 0.062 0.000 2.342 413 I HA 0.097 4.267 4.170 0.000 0.000 0.291 413 I C 0.134 176.286 176.117 0.059 0.000 1.010 413 I CA -0.354 60.998 61.300 0.087 0.000 1.308 413 I CB 0.602 38.610 38.000 0.014 0.000 1.400 413 I HN 0.017 nan 8.210 nan 0.000 0.488 414 N N 4.120 122.848 118.700 0.046 0.000 2.741 414 N HA -0.217 4.523 4.740 0.000 0.000 0.251 414 N C 1.037 176.532 175.510 -0.025 0.000 1.112 414 N CA 1.016 54.056 53.050 -0.017 0.000 0.750 414 N CB -0.775 37.711 38.487 -0.002 0.000 1.119 414 N HN 0.688 nan 8.380 nan 0.000 0.561 415 K N 0.467 120.858 120.400 -0.015 0.000 2.098 415 K HA 0.086 4.406 4.320 0.000 0.000 0.203 415 K C 1.581 178.159 176.600 -0.036 0.000 1.051 415 K CA 1.315 57.597 56.287 -0.008 0.000 0.957 415 K CB 0.363 32.877 32.500 0.024 0.000 0.738 415 K HN 0.077 nan 8.250 nan 0.000 0.447 416 V N -0.024 119.841 119.914 -0.080 0.000 2.788 416 V HA 0.105 4.225 4.120 0.000 0.000 0.241 416 V C 0.526 176.531 176.094 -0.147 0.000 1.083 416 V CA 0.246 62.484 62.300 -0.103 0.000 1.103 416 V CB 1.475 33.240 31.823 -0.096 0.000 0.800 416 V HN 0.132 nan 8.190 nan 0.000 0.476 417 V N 0.280 120.046 119.914 -0.247 0.000 2.808 417 V HA 0.477 4.597 4.120 0.000 0.000 0.308 417 V C -1.064 174.922 176.094 -0.180 0.000 1.099 417 V CA -0.639 61.541 62.300 -0.201 0.000 0.920 417 V CB 2.106 33.795 31.823 -0.223 0.000 1.014 417 V HN 0.273 nan 8.190 nan 0.000 0.425 418 Q N 3.425 123.172 119.800 -0.088 0.000 2.274 418 Q HA 0.266 4.606 4.340 0.000 0.000 0.280 418 Q C 0.131 176.099 176.000 -0.054 0.000 1.047 418 Q CA 0.450 56.219 55.803 -0.056 0.000 0.907 418 Q CB 1.117 29.839 28.738 -0.026 0.000 1.171 418 Q HN 1.019 nan 8.270 nan 0.000 0.381 419 T N 0.257 114.789 114.554 -0.037 0.000 2.925 419 T HA 0.364 4.714 4.350 0.000 0.000 0.285 419 T C 0.704 175.412 174.700 0.013 0.000 1.021 419 T CA -0.775 61.321 62.100 -0.007 0.000 1.042 419 T CB 1.265 70.149 68.868 0.026 0.000 1.037 419 T HN 0.277 nan 8.240 nan 0.000 0.481 420 Q N 0.563 120.376 119.800 0.022 0.000 2.163 420 Q HA 0.423 4.763 4.340 0.000 0.000 0.198 420 Q C 0.094 176.100 176.000 0.010 0.000 0.954 420 Q CA 1.111 56.924 55.803 0.016 0.000 0.851 420 Q CB 0.027 28.774 28.738 0.016 0.000 0.928 420 Q HN 0.739 nan 8.270 nan 0.000 0.459 421 I N -0.076 120.497 120.570 0.006 0.000 2.533 421 I HA 0.610 4.780 4.170 0.000 0.000 0.290 421 I C -1.300 174.788 176.117 -0.049 0.000 1.056 421 I CA -1.231 60.048 61.300 -0.035 0.000 1.057 421 I CB 2.242 40.202 38.000 -0.068 0.000 1.240 421 I HN -0.143 nan 8.210 nan 0.000 0.423 422 A N 6.003 128.777 122.820 -0.076 0.000 2.319 422 A HA 0.748 5.068 4.320 0.000 0.000 0.310 422 A C -0.884 176.579 177.584 -0.201 0.000 1.152 422 A CA -0.493 51.489 52.037 -0.092 0.000 0.783 422 A CB 1.324 20.319 19.000 -0.008 0.000 1.184 422 A HN 0.420 nan 8.150 nan 0.000 0.474 423 V N 3.848 123.562 119.914 -0.332 0.000 2.294 423 V HA 0.202 4.322 4.120 0.000 0.000 0.272 423 V C 0.107 176.084 176.094 -0.195 0.000 1.027 423 V CA -0.410 61.673 62.300 -0.362 0.000 0.823 423 V CB 0.504 31.901 31.823 -0.710 0.000 1.030 423 V HN 0.946 nan 8.190 nan 0.000 0.457 424 E N 3.237 123.378 120.200 -0.098 0.000 2.354 424 E HA 0.601 4.952 4.350 0.000 0.000 0.269 424 E C 0.722 177.318 176.600 -0.006 0.000 1.036 424 E CA 0.512 56.891 56.400 -0.035 0.000 0.876 424 E CB 1.437 31.152 29.700 0.024 0.000 1.009 424 E HN 0.945 nan 8.360 nan 0.000 0.416 425 G N 2.656 111.460 108.800 0.007 0.000 2.331 425 G HA2 -0.175 3.785 3.960 0.000 0.000 0.479 425 G HA3 -0.175 3.785 3.960 0.000 0.000 0.479 425 G C -1.272 173.658 174.900 0.049 0.000 1.262 425 G CA -0.743 44.375 45.100 0.030 0.000 1.029 425 G HN 0.646 nan 8.290 nan 0.000 0.487 426 D N 0.633 121.070 120.400 0.063 0.000 2.401 426 D HA 0.588 5.228 4.640 0.000 0.000 0.254 426 D C 1.447 177.799 176.300 0.086 0.000 1.192 426 D CA 1.187 55.234 54.000 0.079 0.000 0.885 426 D CB 1.188 42.052 40.800 0.107 0.000 1.147 426 D HN 0.999 nan 8.370 nan 0.000 0.478 427 A N 3.298 126.169 122.820 0.086 0.000 1.851 427 A HA -0.210 4.110 4.320 0.000 0.000 0.216 427 A C 2.158 179.725 177.584 -0.028 0.000 1.195 427 A CA 2.085 54.173 52.037 0.086 0.000 0.622 427 A CB -1.072 17.948 19.000 0.034 0.000 0.831 427 A HN 0.696 nan 8.150 nan 0.000 0.444 428 T N -0.090 114.413 114.554 -0.085 0.000 2.665 428 T HA -0.179 4.171 4.350 0.000 0.000 0.268 428 T C 2.000 176.573 174.700 -0.213 0.000 1.035 428 T CA 2.122 64.091 62.100 -0.219 0.000 1.151 428 T CB -0.766 67.840 68.868 -0.437 0.000 0.862 428 T HN 0.581 nan 8.240 nan 0.000 0.438 429 T N 2.492 116.962 114.554 -0.140 0.000 2.684 429 T HA -0.114 4.236 4.350 0.000 0.000 0.267 429 T C 2.031 176.727 174.700 -0.007 0.000 1.036 429 T CA 1.139 63.202 62.100 -0.060 0.000 1.148 429 T CB -0.386 68.497 68.868 0.025 0.000 0.863 429 T HN 0.349 nan 8.240 nan 0.000 0.436 430 N N 1.113 119.845 118.700 0.053 0.000 2.244 430 N HA 0.065 4.805 4.740 0.000 0.000 0.183 430 N C 1.886 177.473 175.510 0.129 0.000 1.016 430 N CA 0.622 53.747 53.050 0.126 0.000 0.866 430 N CB -0.361 38.274 38.487 0.248 0.000 0.980 430 N HN 0.359 nan 8.380 nan 0.000 0.430 431 L N 0.231 121.459 121.223 0.009 0.000 2.056 431 L HA -0.040 4.300 4.340 0.000 0.000 0.207 431 L C 2.414 179.255 176.870 -0.048 0.000 1.078 431 L CA 1.190 55.974 54.840 -0.094 0.000 0.749 431 L CB -0.779 41.136 42.059 -0.239 0.000 0.901 431 L HN 0.180 nan 8.230 nan 0.000 0.433 432 G N -0.165 108.603 108.800 -0.055 0.000 2.448 432 G HA2 -0.208 3.752 3.960 0.000 0.000 0.219 432 G HA3 -0.208 3.752 3.960 0.000 0.000 0.219 432 G C 1.688 176.578 174.900 -0.016 0.000 1.127 432 G CA 0.400 45.475 45.100 -0.042 0.000 0.766 432 G HN 0.320 nan 8.290 nan 0.000 0.552 433 K N -0.063 120.337 120.400 0.001 0.000 2.116 433 K HA 0.056 4.376 4.320 0.000 0.000 0.203 433 K C 2.411 179.014 176.600 0.005 0.000 1.052 433 K CA 1.308 57.599 56.287 0.007 0.000 0.952 433 K CB -0.131 32.379 32.500 0.016 0.000 0.729 433 K HN 0.567 nan 8.250 nan 0.000 0.446 434 M N -1.269 118.345 119.600 0.023 0.000 2.495 434 M HA 0.206 4.686 4.480 0.000 0.000 0.237 434 M C 1.790 178.083 176.300 -0.012 0.000 1.131 434 M CA 0.590 55.897 55.300 0.013 0.000 1.032 434 M CB 0.125 32.764 32.600 0.064 0.000 1.513 434 M HN -0.127 nan 8.290 nan 0.000 0.488 435 M N 2.125 121.717 119.600 -0.013 0.000 2.082 435 M HA -0.172 4.308 4.480 0.000 0.000 0.258 435 M C 2.311 178.591 176.300 -0.034 0.000 1.069 435 M CA 2.498 57.786 55.300 -0.021 0.000 1.102 435 M CB -0.494 32.096 32.600 -0.017 0.000 1.336 435 M HN 0.624 nan 8.290 nan 0.000 0.404 436 S N -1.162 114.517 115.700 -0.034 0.000 2.500 436 S HA -0.095 4.375 4.470 0.000 0.000 0.239 436 S C 1.355 175.901 174.600 -0.090 0.000 0.989 436 S CA 0.890 59.064 58.200 -0.043 0.000 0.951 436 S CB -0.687 62.496 63.200 -0.029 0.000 0.759 436 S HN 0.628 nan 8.310 nan 0.000 0.523 437 K N 0.834 121.167 120.400 -0.113 0.000 2.498 437 K HA 0.354 4.674 4.320 0.000 0.000 0.207 437 K C -0.792 175.637 176.600 -0.285 0.000 1.033 437 K CA -0.199 55.969 56.287 -0.198 0.000 1.138 437 K CB 0.414 32.832 32.500 -0.136 0.000 0.860 437 K HN 0.339 nan 8.250 nan 0.000 0.490 438 I N 1.527 121.963 120.570 -0.223 0.000 2.382 438 I HA 0.249 4.419 4.170 0.000 0.000 0.286 438 I C -0.261 175.774 176.117 -0.138 0.000 1.002 438 I CA -1.046 60.147 61.300 -0.179 0.000 1.135 438 I CB 0.551 38.523 38.000 -0.047 0.000 1.288 438 I HN -0.053 nan 8.210 nan 0.000 0.448 439 F N 7.064 127.027 119.950 0.021 0.000 2.541 439 F HA 0.236 4.763 4.527 0.000 0.000 0.378 439 F C -1.589 174.222 175.800 0.019 0.000 1.068 439 F CA -1.986 56.024 58.000 0.017 0.000 1.199 439 F CB -0.357 38.649 39.000 0.010 0.000 1.091 439 F HN 0.229 nan 8.300 nan 0.000 0.555 440 P HA 0.029 nan 4.420 nan 0.000 0.263 440 P C -0.729 176.638 177.300 0.111 0.000 1.195 440 P CA 0.091 63.269 63.100 0.131 0.000 0.762 440 P CB 0.486 32.249 31.700 0.105 0.000 0.799 441 V N 3.530 123.497 119.914 0.090 0.000 2.383 441 V HA 0.306 4.426 4.120 0.000 0.000 0.275 441 V C 1.525 177.645 176.094 0.043 0.000 1.036 441 V CA 0.188 62.523 62.300 0.058 0.000 0.889 441 V CB 0.585 32.439 31.823 0.051 0.000 0.985 441 V HN 0.589 nan 8.190 nan 0.000 0.459 442 K N 3.713 124.126 120.400 0.021 0.000 2.007 442 K HA 0.345 4.665 4.320 0.000 0.000 0.206 442 K C 0.806 177.413 176.600 0.011 0.000 1.047 442 K CA 1.837 58.135 56.287 0.020 0.000 0.937 442 K CB -0.291 32.213 32.500 0.007 0.000 0.718 442 K HN 1.105 nan 8.250 nan 0.000 0.438 443 E N -0.990 119.190 120.200 -0.034 0.000 2.423 443 E HA 0.698 5.048 4.350 0.000 0.000 0.280 443 E C -1.126 175.348 176.600 -0.209 0.000 1.030 443 E CA -0.503 55.843 56.400 -0.090 0.000 0.812 443 E CB 1.121 30.797 29.700 -0.041 0.000 1.313 443 E HN 0.341 nan 8.360 nan 0.000 0.456 444 R N 1.164 121.391 120.500 -0.455 0.000 2.701 444 R HA 0.218 4.558 4.340 0.000 0.000 0.281 444 R C 1.142 177.190 176.300 -0.420 0.000 1.367 444 R CA 0.524 56.310 56.100 -0.523 0.000 1.510 444 R CB 0.613 30.420 30.300 -0.822 0.000 1.306 444 R HN 0.667 nan 8.270 nan 0.000 0.682 445 S N -0.125 115.478 115.700 -0.161 0.000 2.365 445 S HA -0.300 4.170 4.470 0.000 0.000 0.225 445 S C 2.136 176.756 174.600 0.033 0.000 1.039 445 S CA 1.797 59.986 58.200 -0.018 0.000 1.033 445 S CB -0.131 63.067 63.200 -0.002 0.000 0.887 445 S HN 0.556 nan 8.310 nan 0.000 0.447 446 E N 1.335 121.550 120.200 0.025 0.000 2.038 446 E HA -0.152 4.198 4.350 0.000 0.000 0.195 446 E C 1.743 178.458 176.600 0.193 0.000 1.000 446 E CA 1.383 57.827 56.400 0.072 0.000 0.803 446 E CB -1.770 27.957 29.700 0.045 0.000 0.750 446 E HN 0.843 nan 8.360 nan 0.000 0.448 447 W N -0.582 120.683 121.300 -0.057 0.000 2.355 447 W HA -0.118 4.542 4.660 0.000 0.000 0.309 447 W C 2.327 178.956 176.519 0.185 0.000 1.206 447 W CA 1.087 58.449 57.345 0.028 0.000 1.284 447 W CB -0.194 29.273 29.460 0.012 0.000 1.145 447 W HN 0.344 nan 8.180 nan 0.000 0.502 448 F N 0.460 120.436 119.950 0.043 0.000 2.216 448 F HA -0.206 4.321 4.527 0.000 0.000 0.300 448 F C 2.632 178.347 175.800 -0.140 0.000 1.085 448 F CA 0.549 58.480 58.000 -0.115 0.000 1.326 448 F CB -0.672 38.310 39.000 -0.030 0.000 1.027 448 F HN -0.062 nan 8.300 nan 0.000 0.497 449 A N 0.025 122.905 122.820 0.100 0.000 1.877 449 A HA -0.283 4.037 4.320 0.000 0.000 0.216 449 A C 1.971 179.460 177.584 -0.157 0.000 1.186 449 A CA 1.825 53.852 52.037 -0.016 0.000 0.620 449 A CB -0.831 18.165 19.000 -0.006 0.000 0.822 449 A HN 0.335 nan 8.150 nan 0.000 0.443 450 Q N 0.238 119.898 119.800 -0.234 0.000 2.050 450 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 450 Q C 1.762 177.255 176.000 -0.845 0.000 0.980 450 Q CA 2.034 57.486 55.803 -0.586 0.000 0.840 450 Q CB -0.519 27.882 28.738 -0.562 0.000 0.898 450 Q HN 0.683 nan 8.270 nan 0.000 0.424 451 I N 0.568 120.801 120.570 -0.562 0.000 2.208 451 I HA -0.301 3.869 4.170 0.000 0.000 0.245 451 I C 1.858 177.907 176.117 -0.113 0.000 1.097 451 I CA 1.207 62.355 61.300 -0.254 0.000 1.363 451 I CB -0.471 37.336 38.000 -0.322 0.000 1.051 451 I HN 0.294 nan 8.210 nan 0.000 0.413 452 N N 1.186 119.794 118.700 -0.153 0.000 2.244 452 N HA -0.168 4.572 4.740 0.000 0.000 0.183 452 N C 2.061 177.527 175.510 -0.074 0.000 1.016 452 N CA 1.785 54.779 53.050 -0.094 0.000 0.866 452 N CB -0.230 38.208 38.487 -0.082 0.000 0.980 452 N HN 0.427 nan 8.380 nan 0.000 0.430 453 K N 0.873 121.186 120.400 -0.146 0.000 2.057 453 K HA -0.089 4.231 4.320 0.000 0.000 0.206 453 K C 1.843 178.440 176.600 -0.004 0.000 1.050 453 K CA 0.941 57.151 56.287 -0.128 0.000 0.935 453 K CB -1.167 31.194 32.500 -0.232 0.000 0.715 453 K HN 0.202 nan 8.250 nan 0.000 0.439 454 W N 1.338 122.644 121.300 0.011 0.000 2.355 454 W HA -0.029 4.631 4.660 0.000 0.000 0.309 454 W C 2.180 178.726 176.519 0.044 0.000 1.206 454 W CA 1.129 58.531 57.345 0.096 0.000 1.284 454 W CB -0.586 28.947 29.460 0.121 0.000 1.145 454 W HN 0.357 nan 8.180 nan 0.000 0.502 455 K N 0.433 120.961 120.400 0.212 0.000 2.020 455 K HA -0.247 4.073 4.320 0.000 0.000 0.212 455 K C 2.406 179.026 176.600 0.033 0.000 1.050 455 K CA 2.910 59.242 56.287 0.076 0.000 0.929 455 K CB -0.541 31.964 32.500 0.009 0.000 0.714 455 K HN 0.102 nan 8.250 nan 0.000 0.443 456 K N 0.984 121.389 120.400 0.009 0.000 2.147 456 K HA -0.144 4.176 4.320 0.000 0.000 0.205 456 K C 2.181 178.749 176.600 -0.053 0.000 1.049 456 K CA 2.018 58.292 56.287 -0.022 0.000 0.936 456 K CB -1.247 31.234 32.500 -0.032 0.000 0.722 456 K HN 0.516 nan 8.250 nan 0.000 0.446 457 E N -0.649 119.496 120.200 -0.091 0.000 2.086 457 E HA 0.075 4.425 4.350 0.000 0.000 0.190 457 E C 0.630 176.978 176.600 -0.420 0.000 0.975 457 E CA 0.852 57.070 56.400 -0.302 0.000 0.813 457 E CB -0.251 29.178 29.700 -0.451 0.000 0.768 457 E HN 0.821 nan 8.360 nan 0.000 0.457 458 Y N 1.112 121.461 120.300 0.082 0.000 2.836 458 Y HA 0.341 4.891 4.550 0.000 0.000 0.359 458 Y C -2.249 173.617 175.900 -0.056 0.000 1.060 458 Y CA -2.584 55.532 58.100 0.028 0.000 1.161 458 Y CB 1.317 39.760 38.460 -0.030 0.000 1.225 458 Y HN 0.197 nan 8.280 nan 0.000 0.621 459 P HA 0.100 nan 4.420 nan 0.000 0.281 459 P C -0.622 176.733 177.300 0.092 0.000 1.281 459 P CA -0.549 62.556 63.100 0.009 0.000 0.811 459 P CB 1.265 32.989 31.700 0.039 0.000 1.154 460 Y N -0.096 120.288 120.300 0.141 0.000 2.758 460 Y HA 0.224 4.774 4.550 0.000 0.000 0.351 460 Y C 1.369 177.421 175.900 0.253 0.000 1.214 460 Y CA -0.893 57.328 58.100 0.202 0.000 1.983 460 Y CB -0.628 37.962 38.460 0.218 0.000 2.062 460 Y HN 0.320 nan 8.280 nan 0.000 0.416 461 A N 2.683 125.690 122.820 0.313 0.000 2.351 461 A HA 0.528 4.848 4.320 0.000 0.000 0.257 461 A C -0.827 176.628 177.584 -0.216 0.000 1.087 461 A CA -0.078 52.020 52.037 0.102 0.000 0.798 461 A CB 0.214 19.378 19.000 0.273 0.000 1.033 461 A HN 0.692 nan 8.150 nan 0.000 0.488 462 Y N -1.712 118.114 120.300 -0.790 0.000 2.687 462 Y HA 0.517 5.067 4.550 0.000 0.000 0.338 462 Y C -0.889 174.470 175.900 -0.901 0.000 1.189 462 Y CA -1.662 55.621 58.100 -1.361 0.000 1.097 462 Y CB 0.652 38.759 38.460 -0.588 0.000 1.342 462 Y HN 0.636 nan 8.280 nan 0.000 0.461 463 M N 3.351 122.683 119.600 -0.447 0.000 2.513 463 M HA 0.188 4.668 4.480 0.000 0.000 0.341 463 M C -0.595 175.711 176.300 0.009 0.000 1.689 463 M CA 0.793 56.118 55.300 0.041 0.000 1.202 463 M CB -0.328 32.412 32.600 0.233 0.000 1.996 463 M HN 0.675 nan 8.290 nan 0.000 0.458 464 E N 2.611 122.711 120.200 -0.166 0.000 2.345 464 E HA 0.159 4.509 4.350 0.000 0.000 0.259 464 E C -0.333 176.257 176.600 -0.016 0.000 1.117 464 E CA -0.650 55.674 56.400 -0.127 0.000 0.913 464 E CB 0.545 30.089 29.700 -0.259 0.000 1.057 464 E HN 0.556 nan 8.360 nan 0.000 0.432 465 E N 0.694 120.893 120.200 -0.002 0.000 2.436 465 E HA 0.052 4.402 4.350 0.000 0.000 0.262 465 E C -0.426 176.169 176.600 -0.009 0.000 1.063 465 E CA 0.482 56.880 56.400 -0.003 0.000 0.944 465 E CB 0.570 30.263 29.700 -0.012 0.000 0.950 465 E HN 0.452 nan 8.360 nan 0.000 0.444 466 T N -0.847 113.706 114.554 -0.001 0.000 2.903 466 T HA 0.514 4.864 4.350 0.000 0.000 0.299 466 T C -2.758 171.942 174.700 0.000 0.000 1.093 466 T CA -2.599 59.501 62.100 0.000 0.000 1.002 466 T CB 1.524 70.397 68.868 0.009 0.000 1.127 466 T HN 0.042 nan 8.240 nan 0.000 0.488 467 P HA 0.251 nan 4.420 nan 0.000 0.256 467 P C 1.189 178.491 177.300 0.003 0.000 1.173 467 P CA 1.689 64.788 63.100 -0.001 0.000 0.768 467 P CB -0.160 31.539 31.700 -0.001 0.000 0.758 468 G N 2.199 111.000 108.800 0.002 0.000 2.217 468 G HA2 -0.254 3.706 3.960 0.000 0.000 0.246 468 G HA3 -0.254 3.706 3.960 0.000 0.000 0.246 468 G C 0.489 175.394 174.900 0.009 0.000 0.990 468 G CA 0.257 45.360 45.100 0.005 0.000 0.627 468 G HN 0.780 nan 8.290 nan 0.000 0.522 469 S N -0.010 115.696 115.700 0.009 0.000 2.645 469 S HA 0.671 5.141 4.470 0.000 0.000 0.266 469 S C 0.405 175.009 174.600 0.007 0.000 1.258 469 S CA -0.060 58.148 58.200 0.014 0.000 0.990 469 S CB 1.536 64.746 63.200 0.018 0.000 0.967 469 S HN 0.465 nan 8.310 nan 0.000 0.556 470 K N 0.229 120.635 120.400 0.010 0.000 2.126 470 K HA 0.366 4.686 4.320 0.000 0.000 0.257 470 K C -0.072 176.518 176.600 -0.017 0.000 1.007 470 K CA -0.430 55.857 56.287 0.000 0.000 0.928 470 K CB 0.393 32.899 32.500 0.009 0.000 1.013 470 K HN 0.561 nan 8.250 nan 0.000 0.473 471 I N 2.521 123.072 120.570 -0.032 0.000 2.752 471 I HA -0.060 4.110 4.170 0.000 0.000 0.287 471 I C 0.512 176.576 176.117 -0.088 0.000 1.188 471 I CA 0.302 61.568 61.300 -0.056 0.000 1.427 471 I CB 0.277 38.239 38.000 -0.064 0.000 1.365 471 I HN 0.202 nan 8.210 nan 0.000 0.585 472 K N 8.245 128.572 120.400 -0.123 0.000 2.183 472 K HA 0.276 4.596 4.320 0.000 0.000 0.274 472 K C -1.602 174.777 176.600 -0.369 0.000 1.009 472 K CA -2.096 54.057 56.287 -0.223 0.000 0.888 472 K CB 1.219 33.623 32.500 -0.161 0.000 1.078 472 K HN 0.266 nan 8.250 nan 0.000 0.459 473 P HA -0.220 nan 4.420 nan 0.000 0.216 473 P C 0.653 177.536 177.300 -0.694 0.000 1.153 473 P CA 1.585 64.348 63.100 -0.562 0.000 0.858 473 P CB 0.493 31.736 31.700 -0.761 0.000 0.789 474 Q N -0.407 118.696 119.800 -1.161 0.000 2.096 474 Q HA -0.108 4.232 4.340 0.000 0.000 0.204 474 Q C 2.399 177.898 176.000 -0.835 0.000 0.982 474 Q CA 2.370 57.408 55.803 -1.274 0.000 0.850 474 Q CB -1.630 25.744 28.738 -2.274 0.000 0.901 474 Q HN 0.264 nan 8.270 nan 0.000 0.422 475 T N 0.109 114.300 114.554 -0.605 0.000 2.746 475 T HA -0.122 4.228 4.350 0.000 0.000 0.267 475 T C 1.928 176.508 174.700 -0.200 0.000 1.039 475 T CA 1.340 63.286 62.100 -0.258 0.000 1.142 475 T CB -0.337 68.460 68.868 -0.118 0.000 0.866 475 T HN 0.057 nan 8.240 nan 0.000 0.444 476 V N 1.971 121.765 119.914 -0.200 0.000 2.332 476 V HA -0.164 3.956 4.120 0.000 0.000 0.248 476 V C 2.491 178.550 176.094 -0.059 0.000 1.055 476 V CA 1.243 63.474 62.300 -0.115 0.000 1.038 476 V CB -0.660 31.099 31.823 -0.106 0.000 0.651 476 V HN 0.431 nan 8.190 nan 0.000 0.450 477 I N 0.179 120.718 120.570 -0.052 0.000 2.179 477 I HA -0.219 3.951 4.170 0.000 0.000 0.242 477 I C 2.411 178.523 176.117 -0.008 0.000 1.088 477 I CA 1.716 63.065 61.300 0.082 0.000 1.357 477 I CB -1.293 36.810 38.000 0.171 0.000 1.051 477 I HN 0.383 nan 8.210 nan 0.000 0.409 478 K N 0.977 121.319 120.400 -0.097 0.000 2.009 478 K HA -0.188 4.132 4.320 0.000 0.000 0.210 478 K C 2.142 178.636 176.600 -0.177 0.000 1.049 478 K CA 1.451 57.653 56.287 -0.141 0.000 0.929 478 K CB -0.205 32.223 32.500 -0.121 0.000 0.714 478 K HN 0.278 nan 8.250 nan 0.000 0.440 479 K N 0.708 121.030 120.400 -0.129 0.000 2.009 479 K HA -0.162 4.158 4.320 0.000 0.000 0.210 479 K C 2.153 178.680 176.600 -0.121 0.000 1.049 479 K CA 1.204 57.423 56.287 -0.112 0.000 0.929 479 K CB -0.302 32.153 32.500 -0.076 0.000 0.714 479 K HN 0.010 nan 8.250 nan 0.000 0.440 480 L N 1.151 122.330 121.223 -0.073 0.000 2.079 480 L HA -0.181 4.159 4.340 0.000 0.000 0.210 480 L C 2.349 179.079 176.870 -0.234 0.000 1.081 480 L CA 1.679 56.514 54.840 -0.010 0.000 0.752 480 L CB -0.722 41.443 42.059 0.177 0.000 0.896 480 L HN 0.079 nan 8.230 nan 0.000 0.433 481 S N -0.844 114.505 115.700 -0.586 0.000 2.370 481 S HA -0.280 4.190 4.470 0.000 0.000 0.226 481 S C 2.201 176.325 174.600 -0.794 0.000 1.033 481 S CA 1.859 59.218 58.200 -1.402 0.000 1.011 481 S CB -0.295 62.066 63.200 -1.399 0.000 0.852 481 S HN 0.580 nan 8.310 nan 0.000 0.457 482 K N 0.244 120.372 120.400 -0.455 0.000 2.007 482 K HA -0.030 4.290 4.320 0.000 0.000 0.206 482 K C 1.999 178.482 176.600 -0.196 0.000 1.047 482 K CA 1.526 57.640 56.287 -0.289 0.000 0.937 482 K CB -0.364 32.015 32.500 -0.201 0.000 0.718 482 K HN 0.287 nan 8.250 nan 0.000 0.438 483 V N 1.692 121.519 119.914 -0.145 0.000 2.282 483 V HA -0.299 3.821 4.120 0.000 0.000 0.249 483 V C 2.501 178.562 176.094 -0.055 0.000 1.057 483 V CA 2.134 64.392 62.300 -0.071 0.000 1.032 483 V CB -0.880 30.930 31.823 -0.021 0.000 0.645 483 V HN 0.523 nan 8.190 nan 0.000 0.447 484 A N 0.321 123.106 122.820 -0.059 0.000 1.902 484 A HA -0.296 4.024 4.320 0.000 0.000 0.217 484 A C 2.073 179.645 177.584 -0.021 0.000 1.181 484 A CA 2.356 54.400 52.037 0.011 0.000 0.623 484 A CB -0.871 18.220 19.000 0.153 0.000 0.818 484 A HN 0.631 nan 8.150 nan 0.000 0.443 485 N N 0.264 118.902 118.700 -0.104 0.000 2.244 485 N HA -0.122 4.618 4.740 0.000 0.000 0.183 485 N C 0.537 176.011 175.510 -0.059 0.000 1.016 485 N CA 1.393 54.388 53.050 -0.091 0.000 0.866 485 N CB -0.251 38.134 38.487 -0.170 0.000 0.980 485 N HN 0.328 nan 8.380 nan 0.000 0.430 486 D N -1.163 119.199 120.400 -0.064 0.000 2.358 486 D HA -0.043 4.597 4.640 0.000 0.000 0.241 486 D C 1.175 177.461 176.300 -0.022 0.000 1.094 486 D CA 0.729 54.703 54.000 -0.044 0.000 0.907 486 D CB -0.247 40.526 40.800 -0.047 0.000 0.893 486 D HN 0.551 nan 8.370 nan 0.000 0.528 487 T N -4.635 109.912 114.554 -0.013 0.000 3.015 487 T HA 0.283 4.633 4.350 0.000 0.000 0.250 487 T C 1.806 176.512 174.700 0.009 0.000 1.057 487 T CA 0.685 62.784 62.100 -0.000 0.000 1.066 487 T CB 0.660 69.531 68.868 0.005 0.000 0.959 487 T HN 0.131 nan 8.240 nan 0.000 0.488 488 G N 2.131 110.937 108.800 0.010 0.000 2.212 488 G HA2 -0.299 3.661 3.960 0.000 0.000 0.266 488 G HA3 -0.299 3.661 3.960 0.000 0.000 0.266 488 G C 0.339 175.266 174.900 0.045 0.000 0.978 488 G CA 0.237 45.350 45.100 0.022 0.000 0.632 488 G HN 0.724 nan 8.290 nan 0.000 0.537 489 R N 0.276 120.805 120.500 0.049 0.000 2.707 489 R HA 0.381 4.721 4.340 0.000 0.000 0.270 489 R C 0.534 176.901 176.300 0.112 0.000 1.083 489 R CA -0.524 55.622 56.100 0.077 0.000 1.182 489 R CB 0.367 30.704 30.300 0.061 0.000 1.084 489 R HN 0.438 nan 8.270 nan 0.000 0.528 490 H N 1.076 120.180 119.070 0.057 0.000 2.722 490 H HA 0.155 4.711 4.556 0.000 0.000 0.328 490 H C -1.028 174.357 175.328 0.095 0.000 1.067 490 H CA -0.088 56.005 56.048 0.076 0.000 1.447 490 H CB 0.753 30.556 29.762 0.068 0.000 1.469 490 H HN 0.093 nan 8.280 nan 0.000 0.544 491 V N 7.791 127.474 119.914 -0.386 0.000 2.495 491 V HA 0.317 4.437 4.120 0.000 0.000 0.298 491 V C 0.224 176.194 176.094 -0.206 0.000 1.031 491 V CA -0.678 61.525 62.300 -0.162 0.000 0.871 491 V CB 1.693 33.563 31.823 0.077 0.000 0.988 491 V HN 0.620 nan 8.190 nan 0.000 0.432 492 I N 4.588 125.129 120.570 -0.049 0.000 2.466 492 I HA 0.543 4.713 4.170 0.000 0.000 0.289 492 I C -0.899 175.235 176.117 0.030 0.000 1.026 492 I CA -0.831 60.485 61.300 0.027 0.000 1.078 492 I CB 2.251 40.297 38.000 0.076 0.000 1.249 492 I HN 0.259 nan 8.210 nan 0.000 0.429 493 V N 4.503 124.457 119.914 0.066 0.000 2.495 493 V HA 0.533 4.653 4.120 0.000 0.000 0.298 493 V C 0.207 176.344 176.094 0.073 0.000 1.031 493 V CA -0.413 61.913 62.300 0.043 0.000 0.871 493 V CB 2.051 33.852 31.823 -0.038 0.000 0.988 493 V HN 0.890 nan 8.190 nan 0.000 0.432 494 T N 0.867 115.437 114.554 0.028 0.000 2.942 494 T HA 0.925 5.275 4.350 0.000 0.000 0.289 494 T C -0.240 174.488 174.700 0.047 0.000 1.044 494 T CA -0.251 61.837 62.100 -0.021 0.000 1.023 494 T CB 2.217 71.051 68.868 -0.056 0.000 1.123 494 T HN 0.916 nan 8.240 nan 0.000 0.512 495 T N -2.039 112.551 114.554 0.060 0.000 2.762 495 T HA 0.765 5.115 4.350 0.000 0.000 0.301 495 T C 0.453 175.283 174.700 0.216 0.000 1.299 495 T CA -0.399 61.802 62.100 0.169 0.000 1.005 495 T CB 1.205 70.195 68.868 0.204 0.000 1.377 495 T HN 1.040 nan 8.240 nan 0.000 0.504 496 G N -0.399 108.650 108.800 0.416 0.000 2.630 496 G HA2 0.610 4.570 3.960 0.000 0.000 0.223 496 G HA3 0.610 4.570 3.960 0.000 0.000 0.223 496 G C -1.039 173.993 174.900 0.219 0.000 1.434 496 G CA -0.711 44.590 45.100 0.334 0.000 1.057 496 G HN 0.912 nan 8.290 nan 0.000 0.570 497 V N 0.053 120.053 119.914 0.144 0.000 2.531 497 V HA 0.805 4.925 4.120 0.000 0.000 0.301 497 V C 0.661 176.672 176.094 -0.138 0.000 1.034 497 V CA 0.708 62.958 62.300 -0.083 0.000 0.865 497 V CB 0.637 32.410 31.823 -0.083 0.000 0.995 497 V HN 1.652 nan 8.190 nan 0.000 0.424 498 G N 3.638 112.226 108.800 -0.352 0.000 2.332 498 G HA2 0.013 3.973 3.960 0.000 0.000 0.265 498 G HA3 0.013 3.973 3.960 0.000 0.000 0.265 498 G C 0.022 174.618 174.900 -0.506 0.000 1.329 498 G CA -0.026 44.883 45.100 -0.318 0.000 0.949 498 G HN 0.428 nan 8.290 nan 0.000 0.476 499 Q N -0.803 118.710 119.800 -0.477 0.000 2.061 499 Q HA -0.183 4.157 4.340 0.000 0.000 0.204 499 Q C 2.230 177.739 176.000 -0.819 0.000 0.984 499 Q CA 2.532 57.804 55.803 -0.886 0.000 0.846 499 Q CB -0.332 27.766 28.738 -1.065 0.000 0.902 499 Q HN 0.856 nan 8.270 nan 0.000 0.421 500 H N -0.050 118.915 119.070 -0.175 0.000 2.390 500 H HA -0.163 4.393 4.556 0.000 0.000 0.298 500 H C 1.971 177.361 175.328 0.103 0.000 1.106 500 H CA 1.672 57.822 56.048 0.170 0.000 1.297 500 H CB -0.382 29.474 29.762 0.155 0.000 1.375 500 H HN 0.284 nan 8.280 nan 0.000 0.509 501 Q N -0.079 119.297 119.800 -0.707 0.000 2.079 501 Q HA -0.129 4.211 4.340 0.000 0.000 0.200 501 Q C 1.825 177.767 176.000 -0.096 0.000 0.974 501 Q CA 1.556 57.179 55.803 -0.299 0.000 0.840 501 Q CB 0.073 28.558 28.738 -0.422 0.000 0.898 501 Q HN 0.464 nan 8.270 nan 0.000 0.430 502 M N -0.714 118.715 119.600 -0.284 0.000 2.132 502 M HA -0.158 4.322 4.480 0.000 0.000 0.263 502 M C 1.837 178.044 176.300 -0.155 0.000 1.065 502 M CA 1.104 56.242 55.300 -0.269 0.000 1.122 502 M CB -1.127 31.144 32.600 -0.548 0.000 1.365 502 M HN 0.401 nan 8.290 nan 0.000 0.411 503 W N 0.544 121.786 121.300 -0.096 0.000 2.363 503 W HA -0.024 4.636 4.660 0.000 0.000 0.296 503 W C 2.652 179.197 176.519 0.044 0.000 1.212 503 W CA 1.422 58.739 57.345 -0.048 0.000 1.260 503 W CB -1.381 28.096 29.460 0.028 0.000 1.131 503 W HN 0.288 nan 8.180 nan 0.000 0.530 504 A N 0.509 123.533 122.820 0.340 0.000 1.933 504 A HA -0.017 4.303 4.320 0.000 0.000 0.218 504 A C 2.251 180.024 177.584 0.315 0.000 1.175 504 A CA 2.603 54.851 52.037 0.352 0.000 0.628 504 A CB -0.991 18.238 19.000 0.382 0.000 0.814 504 A HN 0.118 nan 8.150 nan 0.000 0.444 505 A N -0.617 122.328 122.820 0.208 0.000 1.873 505 A HA -0.180 4.140 4.320 0.000 0.000 0.215 505 A C 2.155 179.850 177.584 0.186 0.000 1.186 505 A CA 1.639 53.742 52.037 0.111 0.000 0.616 505 A CB -0.510 18.531 19.000 0.069 0.000 0.823 505 A HN 0.659 nan 8.150 nan 0.000 0.442 506 Q N -1.244 118.513 119.800 -0.073 0.000 2.020 506 Q HA -0.098 4.242 4.340 0.000 0.000 0.198 506 Q C 1.798 177.611 176.000 -0.312 0.000 0.974 506 Q CA 1.300 56.856 55.803 -0.412 0.000 0.829 506 Q CB -0.255 27.733 28.738 -1.250 0.000 0.894 506 Q HN 0.761 nan 8.270 nan 0.000 0.433 507 H N -1.486 117.574 119.070 -0.016 0.000 2.551 507 H HA -0.003 4.553 4.556 0.000 0.000 0.266 507 H C 0.216 175.539 175.328 -0.008 0.000 0.977 507 H CA 0.235 56.289 56.048 0.011 0.000 1.163 507 H CB 0.037 29.776 29.762 -0.038 0.000 1.381 507 H HN 0.284 nan 8.280 nan 0.000 0.581 508 W N 2.102 123.295 121.300 -0.178 0.000 2.375 508 W HA 0.177 4.837 4.660 0.000 0.000 0.336 508 W C -0.575 175.523 176.519 -0.702 0.000 1.160 508 W CA -0.200 56.831 57.345 -0.525 0.000 1.266 508 W CB 1.223 30.140 29.460 -0.904 0.000 1.195 508 W HN -0.255 nan 8.180 nan 0.000 0.599 509 T N 5.241 119.384 114.554 -0.684 0.000 2.832 509 T HA 0.164 4.514 4.350 0.000 0.000 0.313 509 T C -0.831 173.683 174.700 -0.311 0.000 1.035 509 T CA -0.067 61.796 62.100 -0.394 0.000 0.950 509 T CB -0.177 68.509 68.868 -0.305 0.000 0.984 509 T HN 0.214 nan 8.240 nan 0.000 0.486 510 W N 2.755 124.168 121.300 0.189 0.000 2.316 510 W HA 0.483 5.143 4.660 0.000 0.000 0.311 510 W C 1.323 177.890 176.519 0.081 0.000 1.217 510 W CA -0.846 56.588 57.345 0.148 0.000 1.199 510 W CB 0.906 30.398 29.460 0.053 0.000 1.202 510 W HN 0.564 nan 8.180 nan 0.000 0.528 511 R N 0.861 121.527 120.500 0.277 0.000 2.702 511 R HA 0.091 4.431 4.340 0.000 0.000 0.223 511 R C -0.365 176.009 176.300 0.123 0.000 0.953 511 R CA -0.311 55.869 56.100 0.134 0.000 1.068 511 R CB 0.258 30.593 30.300 0.060 0.000 1.600 511 R HN 0.468 nan 8.270 nan 0.000 0.602 512 N N 3.743 122.552 118.700 0.181 0.000 2.399 512 N HA 0.296 5.036 4.740 0.000 0.000 0.295 512 N C -2.719 172.878 175.510 0.144 0.000 1.048 512 N CA -1.704 51.442 53.050 0.160 0.000 0.886 512 N CB 1.802 40.404 38.487 0.191 0.000 1.185 512 N HN -0.123 nan 8.380 nan 0.000 0.487 513 P HA -0.003 nan 4.420 nan 0.000 0.274 513 P C -0.640 176.625 177.300 -0.058 0.000 1.231 513 P CA 0.408 63.433 63.100 -0.124 0.000 0.790 513 P CB 0.473 32.026 31.700 -0.245 0.000 0.951 514 H N -0.362 118.764 119.070 0.094 0.000 2.862 514 H HA -0.102 4.454 4.556 0.000 0.000 0.290 514 H C 0.744 176.144 175.328 0.119 0.000 1.211 514 H CA 1.422 57.519 56.048 0.082 0.000 1.140 514 H CB -2.710 27.096 29.762 0.073 0.000 1.341 514 H HN 0.609 nan 8.280 nan 0.000 0.392 515 T N -3.850 110.818 114.554 0.190 0.000 3.044 515 T HA 0.273 4.623 4.350 0.000 0.000 0.260 515 T C 0.077 174.910 174.700 0.222 0.000 1.019 515 T CA -0.257 61.963 62.100 0.200 0.000 0.921 515 T CB 0.295 69.295 68.868 0.221 0.000 1.053 515 T HN 0.125 nan 8.240 nan 0.000 0.533 516 F N 2.303 122.160 119.950 -0.156 0.000 2.500 516 F HA 0.635 5.162 4.527 0.000 0.000 0.349 516 F C -1.308 174.373 175.800 -0.198 0.000 1.127 516 F CA -2.790 54.991 58.000 -0.365 0.000 0.998 516 F CB 0.998 39.418 39.000 -0.967 0.000 1.237 516 F HN 0.041 nan 8.300 nan 0.000 0.439 517 I N 5.535 125.911 120.570 -0.324 0.000 2.359 517 I HA 0.338 4.508 4.170 0.000 0.000 0.284 517 I C -0.103 175.810 176.117 -0.339 0.000 1.018 517 I CA -0.267 60.883 61.300 -0.250 0.000 1.173 517 I CB 1.547 39.503 38.000 -0.073 0.000 1.326 517 I HN 0.490 nan 8.210 nan 0.000 0.462 518 T N 3.419 117.702 114.554 -0.451 0.000 2.900 518 T HA 0.273 4.623 4.350 0.000 0.000 0.303 518 T C -0.763 173.637 174.700 -0.500 0.000 1.142 518 T CA -0.406 61.429 62.100 -0.441 0.000 1.007 518 T CB 1.982 70.347 68.868 -0.839 0.000 1.156 518 T HN 0.418 nan 8.240 nan 0.000 0.490 519 S N 1.985 117.262 115.700 -0.706 0.000 2.400 519 S HA 0.502 4.972 4.470 0.000 0.000 0.295 519 S C 1.140 175.492 174.600 -0.413 0.000 1.113 519 S CA 0.101 57.823 58.200 -0.795 0.000 1.064 519 S CB -0.063 62.548 63.200 -0.983 0.000 0.990 519 S HN 0.857 nan 8.310 nan 0.000 0.502 520 G N 4.054 112.667 108.800 -0.313 0.000 2.692 520 G HA2 0.198 4.158 3.960 0.000 0.000 0.209 520 G HA3 0.198 4.158 3.960 0.000 0.000 0.209 520 G C 1.294 176.103 174.900 -0.151 0.000 1.166 520 G CA 0.432 45.411 45.100 -0.201 0.000 0.844 520 G HN 0.781 nan 8.290 nan 0.000 0.596 521 G N 0.905 109.625 108.800 -0.134 0.000 2.453 521 G HA2 -0.127 3.833 3.960 0.000 0.000 0.215 521 G HA3 -0.127 3.833 3.960 0.000 0.000 0.215 521 G C 1.728 176.576 174.900 -0.086 0.000 1.201 521 G CA 1.181 46.227 45.100 -0.091 0.000 0.784 521 G HN 0.332 nan 8.290 nan 0.000 0.545 522 L N 0.720 121.884 121.223 -0.099 0.000 2.209 522 L HA 0.339 4.679 4.340 0.000 0.000 0.207 522 L C 1.819 178.620 176.870 -0.116 0.000 1.094 522 L CA 1.528 56.317 54.840 -0.084 0.000 0.790 522 L CB -0.479 41.544 42.059 -0.061 0.000 0.932 522 L HN 0.530 nan 8.230 nan 0.000 0.447 523 G N 0.683 109.382 108.800 -0.169 0.000 2.353 523 G HA2 -0.258 3.702 3.960 0.000 0.000 0.294 523 G HA3 -0.258 3.702 3.960 0.000 0.000 0.294 523 G C 0.168 174.977 174.900 -0.152 0.000 1.077 523 G CA 0.454 45.449 45.100 -0.175 0.000 1.098 523 G HN 0.347 nan 8.290 nan 0.000 0.511 524 T N 2.209 116.651 114.554 -0.187 0.000 2.738 524 T HA 0.472 4.822 4.350 0.000 0.000 0.294 524 T C 1.228 175.871 174.700 -0.096 0.000 0.914 524 T CA -0.094 61.934 62.100 -0.120 0.000 1.052 524 T CB 0.583 69.398 68.868 -0.089 0.000 0.897 524 T HN 0.427 nan 8.240 nan 0.000 0.522 525 M N 2.371 121.942 119.600 -0.049 0.000 2.249 525 M HA 0.325 4.805 4.480 0.000 0.000 0.340 525 M C 1.494 177.785 176.300 -0.014 0.000 1.166 525 M CA 0.923 56.216 55.300 -0.011 0.000 1.115 525 M CB 0.330 32.930 32.600 0.001 0.000 1.606 525 M HN 0.979 nan 8.290 nan 0.000 0.448 526 G N 1.506 110.308 108.800 0.004 0.000 2.175 526 G HA2 -0.313 3.647 3.960 0.000 0.000 0.244 526 G HA3 -0.313 3.647 3.960 0.000 0.000 0.244 526 G C 0.305 175.160 174.900 -0.076 0.000 0.982 526 G CA 0.340 45.423 45.100 -0.029 0.000 0.641 526 G HN 0.827 nan 8.290 nan 0.000 0.527 527 Y N 1.505 121.638 120.300 -0.279 0.000 2.263 527 Y HA 0.205 4.755 4.550 0.000 0.000 0.292 527 Y C 2.561 178.337 175.900 -0.207 0.000 1.130 527 Y CA 2.416 60.256 58.100 -0.433 0.000 1.179 527 Y CB -0.486 37.728 38.460 -0.410 0.000 0.998 527 Y HN 0.228 nan 8.280 nan 0.000 0.532 528 G N 1.067 109.861 108.800 -0.010 0.000 2.586 528 G HA2 -0.367 3.593 3.960 0.000 0.000 0.218 528 G HA3 -0.367 3.593 3.960 0.000 0.000 0.218 528 G C 1.581 176.439 174.900 -0.070 0.000 1.216 528 G CA 1.454 46.537 45.100 -0.027 0.000 0.786 528 G HN 0.447 nan 8.290 nan 0.000 0.583 529 L N 2.558 123.781 121.223 0.000 0.000 1.961 529 L HA 0.011 4.351 4.340 0.000 0.000 0.210 529 L C 0.435 177.282 176.870 -0.039 0.000 1.072 529 L CA 2.575 57.435 54.840 0.032 0.000 0.749 529 L CB -1.249 40.866 42.059 0.092 0.000 0.889 529 L HN 0.190 nan 8.230 nan 0.000 0.432 530 P HA -0.199 nan 4.420 nan 0.000 0.216 530 P C 1.395 178.592 177.300 -0.172 0.000 1.150 530 P CA 2.273 65.327 63.100 -0.078 0.000 0.837 530 P CB -0.229 31.456 31.700 -0.024 0.000 0.786 531 A N 0.483 123.089 122.820 -0.357 0.000 1.933 531 A HA -0.021 4.299 4.320 0.000 0.000 0.218 531 A C 2.518 179.966 177.584 -0.227 0.000 1.175 531 A CA 2.046 53.802 52.037 -0.470 0.000 0.628 531 A CB -1.468 16.922 19.000 -1.016 0.000 0.814 531 A HN 0.245 nan 8.150 nan 0.000 0.444 532 A N -0.027 122.705 122.820 -0.147 0.000 1.930 532 A HA -0.036 4.284 4.320 0.000 0.000 0.217 532 A C 2.095 179.680 177.584 0.002 0.000 1.175 532 A CA 1.400 53.408 52.037 -0.047 0.000 0.627 532 A CB -0.554 18.440 19.000 -0.010 0.000 0.815 532 A HN 0.491 nan 8.150 nan 0.000 0.443 533 I N -0.341 120.235 120.570 0.010 0.000 2.226 533 I HA -0.204 3.966 4.170 0.000 0.000 0.245 533 I C 2.674 178.858 176.117 0.111 0.000 1.100 533 I CA 1.206 62.545 61.300 0.066 0.000 1.374 533 I CB -0.602 37.443 38.000 0.076 0.000 1.057 533 I HN 0.405 nan 8.210 nan 0.000 0.413 534 G N 0.334 109.167 108.800 0.056 0.000 2.408 534 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 534 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 534 G C 1.853 176.868 174.900 0.191 0.000 1.150 534 G CA 0.745 45.913 45.100 0.113 0.000 0.776 534 G HN 0.482 nan 8.290 nan 0.000 0.542 535 A N 0.248 123.113 122.820 0.075 0.000 1.930 535 A HA -0.045 4.275 4.320 0.000 0.000 0.217 535 A C 2.285 179.931 177.584 0.103 0.000 1.175 535 A CA 2.141 54.218 52.037 0.065 0.000 0.627 535 A CB -0.395 18.617 19.000 0.021 0.000 0.815 535 A HN 0.399 nan 8.150 nan 0.000 0.443 536 Q N -0.065 119.799 119.800 0.107 0.000 2.124 536 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 536 Q C 1.769 177.852 176.000 0.139 0.000 0.977 536 Q CA 2.045 57.913 55.803 0.108 0.000 0.850 536 Q CB -0.529 28.264 28.738 0.090 0.000 0.901 536 Q HN 0.340 nan 8.270 nan 0.000 0.429 537 V N 0.398 120.433 119.914 0.202 0.000 2.515 537 V HA -0.190 3.930 4.120 0.000 0.000 0.250 537 V C 2.166 178.431 176.094 0.285 0.000 1.058 537 V CA 1.555 64.000 62.300 0.242 0.000 1.064 537 V CB -0.994 31.019 31.823 0.318 0.000 0.675 537 V HN 0.503 nan 8.190 nan 0.000 0.461 538 A N -0.899 122.093 122.820 0.287 0.000 1.929 538 A HA -0.047 4.273 4.320 0.000 0.000 0.216 538 A C 1.329 178.945 177.584 0.052 0.000 1.176 538 A CA 1.144 53.248 52.037 0.112 0.000 0.628 538 A CB 0.007 18.908 19.000 -0.165 0.000 0.816 538 A HN 0.389 nan 8.150 nan 0.000 0.444 539 K N -0.610 119.832 120.400 0.069 0.000 2.624 539 K HA 0.305 4.625 4.320 0.000 0.000 0.200 539 K C -2.594 174.053 176.600 0.078 0.000 1.036 539 K CA -1.821 54.500 56.287 0.057 0.000 1.029 539 K CB 1.244 33.787 32.500 0.071 0.000 1.317 539 K HN 0.059 nan 8.250 nan 0.000 0.555 540 P HA -0.147 nan 4.420 nan 0.000 0.219 540 P C 0.846 178.181 177.300 0.059 0.000 1.146 540 P CA 1.152 64.293 63.100 0.068 0.000 0.808 540 P CB 0.557 32.293 31.700 0.060 0.000 0.779 541 E N -0.979 119.255 120.200 0.056 0.000 2.299 541 E HA 0.054 4.404 4.350 0.000 0.000 0.193 541 E C 0.557 177.206 176.600 0.082 0.000 0.998 541 E CA 0.349 56.782 56.400 0.056 0.000 0.851 541 E CB -0.526 29.199 29.700 0.041 0.000 0.795 541 E HN 0.135 nan 8.360 nan 0.000 0.492 542 S N 0.277 116.046 115.700 0.115 0.000 2.593 542 S HA 0.175 4.645 4.470 0.000 0.000 0.269 542 S C -0.056 174.604 174.600 0.099 0.000 1.334 542 S CA -0.539 57.762 58.200 0.169 0.000 1.015 542 S CB 0.647 64.016 63.200 0.282 0.000 0.912 542 S HN 0.188 nan 8.310 nan 0.000 0.541 543 L N 3.924 125.195 121.223 0.080 0.000 2.315 543 L HA 0.403 4.743 4.340 0.000 0.000 0.278 543 L C -0.916 175.970 176.870 0.027 0.000 1.088 543 L CA -0.201 54.657 54.840 0.031 0.000 0.899 543 L CB -0.125 41.945 42.059 0.019 0.000 1.277 543 L HN 0.345 nan 8.230 nan 0.000 0.431 544 V N 6.344 126.274 119.914 0.026 0.000 2.455 544 V HA 0.290 4.410 4.120 0.000 0.000 0.273 544 V C 0.519 176.617 176.094 0.008 0.000 1.045 544 V CA -0.036 62.280 62.300 0.027 0.000 0.976 544 V CB 0.601 32.448 31.823 0.039 0.000 0.993 544 V HN 0.560 nan 8.190 nan 0.000 0.475 545 I N 4.004 124.586 120.570 0.020 0.000 2.433 545 I HA 0.394 4.564 4.170 0.000 0.000 0.292 545 I C -0.636 175.519 176.117 0.063 0.000 1.001 545 I CA -0.497 60.831 61.300 0.047 0.000 1.119 545 I CB 2.049 40.101 38.000 0.086 0.000 1.289 545 I HN 0.558 nan 8.210 nan 0.000 0.438 546 D N 7.730 128.185 120.400 0.092 0.000 2.427 546 D HA 0.360 5.000 4.640 0.000 0.000 0.226 546 D C -0.558 175.790 176.300 0.081 0.000 1.076 546 D CA -0.252 53.792 54.000 0.074 0.000 0.849 546 D CB 0.831 41.668 40.800 0.062 0.000 1.052 546 D HN 0.323 nan 8.370 nan 0.000 0.515 547 I N 3.814 124.444 120.570 0.100 0.000 2.281 547 I HA 0.209 4.379 4.170 0.000 0.000 0.293 547 I C 0.335 176.476 176.117 0.041 0.000 1.085 547 I CA -0.335 61.028 61.300 0.105 0.000 1.257 547 I CB 0.526 38.648 38.000 0.203 0.000 1.430 547 I HN 0.300 nan 8.210 nan 0.000 0.489 548 D N 4.167 124.458 120.400 -0.181 0.000 2.392 548 D HA 0.577 5.217 4.640 0.000 0.000 0.246 548 D C -0.076 175.725 176.300 -0.833 0.000 1.013 548 D CA -0.186 53.539 54.000 -0.459 0.000 0.993 548 D CB 2.548 43.221 40.800 -0.211 0.000 1.219 548 D HN 0.511 nan 8.370 nan 0.000 0.538 549 G N -0.415 107.795 108.800 -0.985 0.000 2.471 549 G HA2 0.258 4.218 3.960 0.000 0.000 0.332 549 G HA3 0.258 4.218 3.960 0.000 0.000 0.332 549 G C 0.744 175.534 174.900 -0.185 0.000 1.176 549 G CA -0.441 44.359 45.100 -0.501 0.000 0.949 549 G HN 0.494 nan 8.290 nan 0.000 0.488 550 D N 0.213 120.575 120.400 -0.064 0.000 2.117 550 D HA -0.123 4.517 4.640 0.000 0.000 0.198 550 D C 2.305 178.711 176.300 0.176 0.000 0.982 550 D CA 1.192 55.222 54.000 0.050 0.000 0.828 550 D CB -0.484 40.435 40.800 0.198 0.000 0.967 550 D HN 0.364 nan 8.370 nan 0.000 0.464 551 A N 1.011 123.908 122.820 0.129 0.000 1.898 551 A HA -0.116 4.204 4.320 0.000 0.000 0.216 551 A C 2.520 180.163 177.584 0.099 0.000 1.181 551 A CA 1.887 53.992 52.037 0.114 0.000 0.620 551 A CB -0.646 18.398 19.000 0.074 0.000 0.819 551 A HN 0.260 nan 8.150 nan 0.000 0.442 552 S N -1.075 114.683 115.700 0.096 0.000 2.356 552 S HA -0.125 4.345 4.470 0.000 0.000 0.223 552 S C 1.670 176.320 174.600 0.084 0.000 1.032 552 S CA 1.418 59.669 58.200 0.085 0.000 1.005 552 S CB -0.524 62.749 63.200 0.122 0.000 0.867 552 S HN 0.594 nan 8.310 nan 0.000 0.449 553 F N 3.440 123.355 119.950 -0.057 0.000 2.126 553 F HA -0.140 4.387 4.527 0.000 0.000 0.299 553 F C 2.015 177.824 175.800 0.015 0.000 1.096 553 F CA 1.238 59.200 58.000 -0.065 0.000 1.255 553 F CB -0.585 38.306 39.000 -0.182 0.000 0.997 553 F HN 0.156 nan 8.300 nan 0.000 0.479 554 N N 0.088 118.826 118.700 0.064 0.000 2.272 554 N HA -0.192 4.548 4.740 0.000 0.000 0.185 554 N C 1.928 177.388 175.510 -0.084 0.000 1.014 554 N CA 1.370 54.427 53.050 0.011 0.000 0.870 554 N CB -0.248 38.315 38.487 0.126 0.000 0.975 554 N HN 0.370 nan 8.380 nan 0.000 0.433 555 M N 0.077 119.632 119.600 -0.074 0.000 2.086 555 M HA -0.099 4.381 4.480 0.000 0.000 0.261 555 M C 1.316 177.535 176.300 -0.134 0.000 1.067 555 M CA 1.459 56.711 55.300 -0.081 0.000 1.116 555 M CB -0.817 31.753 32.600 -0.049 0.000 1.348 555 M HN 0.169 nan 8.290 nan 0.000 0.407 556 T N -2.298 112.145 114.554 -0.185 0.000 3.339 556 T HA 0.292 4.642 4.350 0.000 0.000 0.292 556 T C 1.121 175.654 174.700 -0.277 0.000 1.012 556 T CA -0.388 61.600 62.100 -0.188 0.000 0.937 556 T CB -0.683 68.116 68.868 -0.114 0.000 1.164 556 T HN 0.454 nan 8.240 nan 0.000 0.509 557 L N -0.854 120.101 121.223 -0.448 0.000 2.549 557 L HA 0.095 4.435 4.340 0.000 0.000 0.230 557 L C 1.881 178.606 176.870 -0.242 0.000 1.162 557 L CA 1.332 55.794 54.840 -0.631 0.000 0.834 557 L CB -1.146 40.394 42.059 -0.864 0.000 0.947 557 L HN 0.300 nan 8.230 nan 0.000 0.452 558 T N 0.027 114.500 114.554 -0.134 0.000 2.995 558 T HA -0.069 4.281 4.350 0.000 0.000 0.269 558 T C 1.548 176.250 174.700 0.003 0.000 1.091 558 T CA 0.982 63.060 62.100 -0.035 0.000 1.128 558 T CB -0.175 68.690 68.868 -0.005 0.000 0.891 558 T HN 0.447 nan 8.240 nan 0.000 0.492 559 E N 1.030 121.222 120.200 -0.013 0.000 2.516 559 E HA 0.016 4.366 4.350 0.000 0.000 0.199 559 E C 1.843 178.477 176.600 0.056 0.000 1.069 559 E CA 0.042 56.462 56.400 0.033 0.000 0.876 559 E CB -0.247 29.467 29.700 0.023 0.000 0.843 559 E HN 0.385 nan 8.360 nan 0.000 0.530 560 L N 1.308 122.564 121.223 0.054 0.000 2.042 560 L HA -0.198 4.142 4.340 0.000 0.000 0.210 560 L C 2.370 179.299 176.870 0.098 0.000 1.076 560 L CA 1.993 56.896 54.840 0.105 0.000 0.749 560 L CB -0.892 41.249 42.059 0.137 0.000 0.893 560 L HN 0.127 nan 8.230 nan 0.000 0.432 561 S N -2.960 112.791 115.700 0.086 0.000 2.423 561 S HA -0.110 4.360 4.470 0.000 0.000 0.231 561 S C 2.022 176.676 174.600 0.090 0.000 1.014 561 S CA 1.103 59.354 58.200 0.085 0.000 0.965 561 S CB -0.495 62.753 63.200 0.080 0.000 0.785 561 S HN 0.378 nan 8.310 nan 0.000 0.495 562 S N 2.075 117.833 115.700 0.096 0.000 2.402 562 S HA 0.187 4.657 4.470 0.000 0.000 0.229 562 S C 2.284 176.945 174.600 0.101 0.000 1.021 562 S CA 0.828 59.092 58.200 0.107 0.000 0.974 562 S CB -0.649 62.621 63.200 0.116 0.000 0.800 562 S HN 0.774 nan 8.310 nan 0.000 0.484 563 A N 1.195 124.072 122.820 0.096 0.000 1.877 563 A HA -0.043 4.277 4.320 0.000 0.000 0.216 563 A C 2.301 179.936 177.584 0.084 0.000 1.186 563 A CA 1.481 53.573 52.037 0.092 0.000 0.620 563 A CB -0.874 18.182 19.000 0.094 0.000 0.822 563 A HN 0.345 nan 8.150 nan 0.000 0.443 564 V N 0.019 119.982 119.914 0.082 0.000 2.427 564 V HA -0.279 3.841 4.120 0.000 0.000 0.248 564 V C 2.679 178.814 176.094 0.069 0.000 1.051 564 V CA 2.232 64.575 62.300 0.072 0.000 1.048 564 V CB -0.747 31.119 31.823 0.071 0.000 0.666 564 V HN 0.791 nan 8.190 nan 0.000 0.456 565 Q N -0.091 119.754 119.800 0.076 0.000 2.230 565 Q HA -0.063 4.277 4.340 0.000 0.000 0.202 565 Q C 1.982 178.028 176.000 0.076 0.000 0.963 565 Q CA 1.390 57.238 55.803 0.075 0.000 0.866 565 Q CB -0.123 28.666 28.738 0.085 0.000 0.931 565 Q HN 0.629 nan 8.270 nan 0.000 0.452 566 A N -0.357 122.511 122.820 0.081 0.000 2.218 566 A HA 0.307 4.627 4.320 0.000 0.000 0.209 566 A C 1.389 179.014 177.584 0.068 0.000 1.168 566 A CA 0.677 52.761 52.037 0.078 0.000 0.804 566 A CB -0.248 18.808 19.000 0.092 0.000 0.834 566 A HN 0.562 nan 8.150 nan 0.000 0.482 567 G N 0.279 109.118 108.800 0.065 0.000 2.198 567 G HA2 -0.216 3.744 3.960 0.000 0.000 0.257 567 G HA3 -0.216 3.744 3.960 0.000 0.000 0.257 567 G C 0.282 175.217 174.900 0.059 0.000 1.042 567 G CA 0.594 45.728 45.100 0.057 0.000 0.791 567 G HN 1.416 nan 8.290 nan 0.000 0.502 568 T N -0.696 113.899 114.554 0.068 0.000 2.832 568 T HA 0.624 4.974 4.350 0.000 0.000 0.313 568 T C -1.613 173.122 174.700 0.058 0.000 1.035 568 T CA -1.675 60.467 62.100 0.069 0.000 0.950 568 T CB 2.353 71.272 68.868 0.086 0.000 0.984 568 T HN 0.153 nan 8.240 nan 0.000 0.486 569 P HA 0.135 nan 4.420 nan 0.000 0.232 569 P C 0.580 177.887 177.300 0.012 0.000 1.738 569 P CA -0.327 62.789 63.100 0.027 0.000 0.948 569 P CB -0.554 31.156 31.700 0.017 0.000 1.943 570 V N -0.958 118.974 119.914 0.030 0.000 2.811 570 V HA 0.332 4.452 4.120 0.000 0.000 0.302 570 V C 0.269 176.364 176.094 0.003 0.000 1.063 570 V CA -0.376 61.937 62.300 0.022 0.000 1.088 570 V CB 0.548 32.403 31.823 0.052 0.000 0.982 570 V HN 0.000 nan 8.190 nan 0.000 0.485 571 K N 5.026 125.401 120.400 -0.041 0.000 2.293 571 K HA 0.562 4.882 4.320 0.000 0.000 0.267 571 K C -0.848 175.883 176.600 0.218 0.000 1.010 571 K CA -0.596 55.630 56.287 -0.102 0.000 0.875 571 K CB 1.420 33.535 32.500 -0.642 0.000 1.106 571 K HN 0.616 nan 8.250 nan 0.000 0.450 572 I N 4.294 125.065 120.570 0.335 0.000 2.307 572 I HA 0.251 4.421 4.170 0.000 0.000 0.289 572 I C -0.099 176.062 176.117 0.072 0.000 1.021 572 I CA -1.080 60.322 61.300 0.169 0.000 1.224 572 I CB 0.602 38.610 38.000 0.013 0.000 1.376 572 I HN 0.388 nan 8.210 nan 0.000 0.470 573 L N 8.499 129.724 121.223 0.005 0.000 2.287 573 L HA 0.563 4.903 4.340 0.000 0.000 0.287 573 L C -0.549 176.138 176.870 -0.306 0.000 1.022 573 L CA 0.028 54.725 54.840 -0.237 0.000 0.814 573 L CB 0.837 42.842 42.059 -0.090 0.000 1.217 573 L HN 0.374 nan 8.230 nan 0.000 0.420 574 I N 6.680 126.997 120.570 -0.422 0.000 2.354 574 I HA 0.240 4.410 4.170 0.000 0.000 0.286 574 I C -0.520 175.415 176.117 -0.303 0.000 1.007 574 I CA -0.480 60.538 61.300 -0.470 0.000 1.167 574 I CB 1.223 38.760 38.000 -0.771 0.000 1.320 574 I HN 0.473 nan 8.210 nan 0.000 0.458 575 L N 6.167 127.265 121.223 -0.208 0.000 2.401 575 L HA 0.189 4.529 4.340 0.000 0.000 0.283 575 L C 0.292 177.130 176.870 -0.052 0.000 1.151 575 L CA -0.207 54.582 54.840 -0.085 0.000 0.942 575 L CB -0.360 41.719 42.059 0.034 0.000 1.283 575 L HN 0.542 nan 8.230 nan 0.000 0.442 576 N N 2.910 121.582 118.700 -0.047 0.000 2.415 576 N HA 0.027 4.767 4.740 0.000 0.000 0.246 576 N C 0.453 176.008 175.510 0.076 0.000 1.078 576 N CA -0.268 52.802 53.050 0.034 0.000 0.942 576 N CB 0.546 39.090 38.487 0.095 0.000 1.140 576 N HN 0.453 nan 8.380 nan 0.000 0.501 577 N N 2.142 120.902 118.700 0.101 0.000 2.204 577 N HA 0.047 4.787 4.740 0.000 0.000 0.219 577 N C -0.750 174.837 175.510 0.128 0.000 1.151 577 N CA -0.232 52.885 53.050 0.112 0.000 0.867 577 N CB -0.296 38.272 38.487 0.135 0.000 1.043 577 N HN 0.531 nan 8.380 nan 0.000 0.516 578 E N 0.319 120.604 120.200 0.142 0.000 2.238 578 E HA -0.283 4.067 4.350 0.000 0.000 0.219 578 E C -0.856 175.846 176.600 0.171 0.000 1.275 578 E CA 1.081 57.580 56.400 0.164 0.000 0.714 578 E CB -1.569 28.227 29.700 0.161 0.000 1.154 578 E HN 0.884 nan 8.360 nan 0.000 0.363 579 E N -0.978 119.276 120.200 0.089 0.000 2.409 579 E HA 0.227 4.577 4.350 0.000 0.000 0.280 579 E C -0.769 175.800 176.600 -0.050 0.000 1.079 579 E CA -0.961 55.403 56.400 -0.060 0.000 0.840 579 E CB 0.805 30.425 29.700 -0.133 0.000 1.309 579 E HN 0.063 nan 8.360 nan 0.000 0.447 580 Q N 1.355 121.080 119.800 -0.124 0.000 2.835 580 Q HA 0.257 4.597 4.340 0.000 0.000 0.235 580 Q C 0.867 176.835 176.000 -0.053 0.000 1.313 580 Q CA 0.425 56.197 55.803 -0.051 0.000 1.053 580 Q CB -0.161 28.545 28.738 -0.054 0.000 1.443 580 Q HN 0.796 nan 8.270 nan 0.000 0.576 581 G N 2.694 111.486 108.800 -0.013 0.000 2.574 581 G HA2 -0.378 3.582 3.960 0.000 0.000 0.220 581 G HA3 -0.378 3.582 3.960 0.000 0.000 0.220 581 G C 1.080 175.986 174.900 0.010 0.000 1.173 581 G CA 1.218 46.320 45.100 0.003 0.000 0.772 581 G HN 0.629 nan 8.290 nan 0.000 0.585 582 M N 0.267 119.858 119.600 -0.016 0.000 2.159 582 M HA 0.022 4.502 4.480 0.000 0.000 0.263 582 M C 2.469 178.850 176.300 0.135 0.000 1.063 582 M CA 1.119 56.437 55.300 0.029 0.000 1.110 582 M CB -0.209 32.363 32.600 -0.047 0.000 1.374 582 M HN 0.064 nan 8.290 nan 0.000 0.411 583 V N -1.217 118.734 119.914 0.062 0.000 2.379 583 V HA -0.205 3.915 4.120 0.000 0.000 0.245 583 V C 2.183 178.399 176.094 0.204 0.000 1.044 583 V CA 2.105 64.461 62.300 0.094 0.000 1.036 583 V CB -1.242 30.590 31.823 0.014 0.000 0.664 583 V HN 0.461 nan 8.190 nan 0.000 0.453 584 T N -0.596 114.032 114.554 0.124 0.000 2.833 584 T HA -0.272 4.078 4.350 0.000 0.000 0.269 584 T C 1.916 176.782 174.700 0.277 0.000 1.054 584 T CA 1.866 64.067 62.100 0.168 0.000 1.135 584 T CB -0.187 68.632 68.868 -0.083 0.000 0.869 584 T HN 0.542 nan 8.240 nan 0.000 0.466 585 Q N -0.936 119.006 119.800 0.237 0.000 2.084 585 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 585 Q C 1.908 178.043 176.000 0.224 0.000 0.978 585 Q CA 1.442 57.374 55.803 0.214 0.000 0.844 585 Q CB -0.136 28.721 28.738 0.198 0.000 0.898 585 Q HN 0.607 nan 8.270 nan 0.000 0.426 586 W N 1.010 122.415 121.300 0.175 0.000 2.402 586 W HA -0.082 4.578 4.660 0.000 0.000 0.286 586 W C 2.225 178.959 176.519 0.359 0.000 1.221 586 W CA 0.992 58.526 57.345 0.314 0.000 1.257 586 W CB -0.067 29.619 29.460 0.375 0.000 1.120 586 W HN 0.300 nan 8.180 nan 0.000 0.551 587 Q N -0.784 119.315 119.800 0.499 0.000 2.123 587 Q HA -0.130 4.210 4.340 0.000 0.000 0.199 587 Q C 2.265 178.322 176.000 0.095 0.000 0.966 587 Q CA 1.736 57.775 55.803 0.393 0.000 0.845 587 Q CB -0.369 28.534 28.738 0.275 0.000 0.907 587 Q HN 0.107 nan 8.270 nan 0.000 0.439 588 S N 0.882 116.609 115.700 0.045 0.000 2.355 588 S HA -0.128 4.342 4.470 0.000 0.000 0.222 588 S C 1.774 176.047 174.600 -0.544 0.000 1.031 588 S CA 0.927 58.920 58.200 -0.345 0.000 0.993 588 S CB -0.198 62.985 63.200 -0.028 0.000 0.859 588 S HN 0.228 nan 8.310 nan 0.000 0.453 589 L N 0.286 121.252 121.223 -0.429 0.000 2.072 589 L HA 0.206 4.546 4.340 0.000 0.000 0.205 589 L C 1.190 177.549 176.870 -0.851 0.000 1.079 589 L CA 1.805 56.206 54.840 -0.731 0.000 0.752 589 L CB -0.395 41.004 42.059 -1.101 0.000 0.906 589 L HN 0.298 nan 8.230 nan 0.000 0.436 590 F N -3.318 116.481 119.950 -0.251 0.000 2.706 590 F HA 0.205 4.732 4.527 0.000 0.000 0.308 590 F C 0.290 175.718 175.800 -0.621 0.000 1.095 590 F CA -0.224 57.521 58.000 -0.425 0.000 1.244 590 F CB 0.175 38.870 39.000 -0.510 0.000 1.063 590 F HN -0.110 nan 8.300 nan 0.000 0.582 591 Y N 0.373 120.700 120.300 0.046 0.000 2.634 591 Y HA 0.238 4.788 4.550 0.000 0.000 0.292 591 Y C 0.051 175.909 175.900 -0.071 0.000 0.996 591 Y CA -1.252 56.858 58.100 0.016 0.000 1.165 591 Y CB -0.608 37.880 38.460 0.047 0.000 1.194 591 Y HN 0.072 nan 8.280 nan 0.000 0.585 592 E N -0.177 120.015 120.200 -0.012 0.000 2.294 592 E HA -0.332 4.018 4.350 0.000 0.000 0.228 592 E C -0.709 175.944 176.600 0.088 0.000 1.253 592 E CA 1.033 57.465 56.400 0.054 0.000 0.716 592 E CB -1.761 27.989 29.700 0.083 0.000 1.184 592 E HN 0.817 nan 8.360 nan 0.000 0.374 593 H N -2.124 116.864 119.070 -0.137 0.000 2.791 593 H HA -0.192 4.364 4.556 0.000 0.000 0.302 593 H C -0.228 174.666 175.328 -0.723 0.000 1.198 593 H CA 1.349 57.138 56.048 -0.433 0.000 1.145 593 H CB -1.164 28.496 29.762 -0.170 0.000 1.385 593 H HN 0.305 nan 8.280 nan 0.000 0.409 594 R N 1.188 121.452 120.500 -0.394 0.000 2.287 594 R HA 0.199 4.539 4.340 0.000 0.000 0.327 594 R C -0.753 175.374 176.300 -0.288 0.000 1.109 594 R CA -0.432 55.511 56.100 -0.261 0.000 1.013 594 R CB 0.313 30.578 30.300 -0.058 0.000 1.126 594 R HN 0.352 nan 8.270 nan 0.000 0.503 595 Y N 0.974 121.338 120.300 0.107 0.000 2.636 595 Y HA 0.043 4.593 4.550 0.000 0.000 0.341 595 Y C 0.992 176.900 175.900 0.013 0.000 1.169 595 Y CA -0.303 57.846 58.100 0.083 0.000 1.498 595 Y CB 0.763 39.330 38.460 0.180 0.000 1.362 595 Y HN 0.375 nan 8.280 nan 0.000 0.494 596 S N 4.603 120.322 115.700 0.030 0.000 2.411 596 S HA 0.109 4.579 4.470 0.000 0.000 0.304 596 S C 0.033 174.574 174.600 -0.099 0.000 1.098 596 S CA -0.413 57.694 58.200 -0.156 0.000 1.068 596 S CB -0.432 62.689 63.200 -0.130 0.000 1.032 596 S HN 0.782 nan 8.310 nan 0.000 0.511 597 H N 2.000 121.139 119.070 0.116 0.000 2.770 597 H HA -0.121 4.435 4.556 0.000 0.000 0.309 597 H C 0.921 176.280 175.328 0.052 0.000 1.206 597 H CA 1.234 57.335 56.048 0.088 0.000 1.147 597 H CB -2.442 27.348 29.762 0.047 0.000 1.422 597 H HN 0.712 nan 8.280 nan 0.000 0.420 598 T N -3.549 111.058 114.554 0.088 0.000 3.129 598 T HA 0.221 4.571 4.350 0.000 0.000 0.267 598 T C 0.292 174.801 174.700 -0.320 0.000 1.018 598 T CA -0.197 61.843 62.100 -0.101 0.000 0.903 598 T CB 0.273 69.044 68.868 -0.163 0.000 1.067 598 T HN 0.449 nan 8.240 nan 0.000 0.549 599 H N 2.859 121.971 119.070 0.070 0.000 2.866 599 H HA 0.417 4.973 4.556 0.000 0.000 0.287 599 H C -0.073 175.307 175.328 0.088 0.000 1.106 599 H CA -0.949 55.139 56.048 0.066 0.000 1.396 599 H CB 0.813 30.623 29.762 0.080 0.000 1.469 599 H HN 0.214 nan 8.280 nan 0.000 0.500 600 Q N 2.006 121.896 119.800 0.149 0.000 2.212 600 Q HA 0.248 4.588 4.340 0.000 0.000 0.238 600 Q C -0.562 175.504 176.000 0.110 0.000 0.955 600 Q CA -1.249 54.626 55.803 0.120 0.000 0.906 600 Q CB 1.953 30.746 28.738 0.091 0.000 1.215 600 Q HN 0.467 nan 8.270 nan 0.000 0.478 601 L N 1.991 123.260 121.223 0.077 0.000 2.283 601 L HA 0.296 4.636 4.340 0.000 0.000 0.287 601 L C -0.701 176.177 176.870 0.014 0.000 1.073 601 L CA 0.245 55.112 54.840 0.045 0.000 0.822 601 L CB -0.153 41.924 42.059 0.030 0.000 1.186 601 L HN 0.614 nan 8.230 nan 0.000 0.436 602 N N 6.130 124.820 118.700 -0.017 0.000 2.513 602 N HA 0.438 5.178 4.740 0.000 0.000 0.274 602 N C -2.258 173.090 175.510 -0.269 0.000 1.189 602 N CA -1.181 51.791 53.050 -0.129 0.000 0.975 602 N CB 0.537 38.922 38.487 -0.169 0.000 1.157 602 N HN 0.546 nan 8.380 nan 0.000 0.465 603 P HA 0.074 nan 4.420 nan 0.000 0.281 603 P C -1.181 175.811 177.300 -0.512 0.000 1.281 603 P CA -0.376 62.537 63.100 -0.311 0.000 0.811 603 P CB 0.691 32.287 31.700 -0.173 0.000 1.154 604 D N 0.445 120.684 120.400 -0.268 0.000 2.342 604 D HA 0.029 4.669 4.640 0.000 0.000 0.260 604 D C 0.792 177.011 176.300 -0.136 0.000 1.278 604 D CA -0.102 53.776 54.000 -0.204 0.000 0.910 604 D CB -0.043 40.712 40.800 -0.074 0.000 1.079 604 D HN 0.182 nan 8.370 nan 0.000 0.496 605 F N 2.750 122.727 119.950 0.045 0.000 2.171 605 F HA -0.188 4.339 4.527 0.000 0.000 0.300 605 F C 2.094 177.915 175.800 0.035 0.000 1.090 605 F CA 0.099 58.129 58.000 0.051 0.000 1.293 605 F CB -0.015 38.976 39.000 -0.016 0.000 1.013 605 F HN 0.388 nan 8.300 nan 0.000 0.486 606 I N 0.519 121.198 120.570 0.181 0.000 2.202 606 I HA -0.240 3.930 4.170 0.000 0.000 0.242 606 I C 2.096 178.271 176.117 0.095 0.000 1.091 606 I CA 1.519 62.886 61.300 0.112 0.000 1.368 606 I CB -0.713 37.329 38.000 0.071 0.000 1.058 606 I HN -0.037 nan 8.210 nan 0.000 0.410 607 K N -0.231 120.212 120.400 0.073 0.000 2.148 607 K HA -0.150 4.170 4.320 0.000 0.000 0.204 607 K C 2.035 178.682 176.600 0.079 0.000 1.050 607 K CA 1.021 57.343 56.287 0.059 0.000 0.942 607 K CB -0.329 32.190 32.500 0.032 0.000 0.724 607 K HN 0.160 nan 8.250 nan 0.000 0.446 608 L N 1.099 122.388 121.223 0.111 0.000 2.027 608 L HA -0.102 4.238 4.340 0.000 0.000 0.206 608 L C 2.209 179.174 176.870 0.158 0.000 1.074 608 L CA 1.822 56.748 54.840 0.144 0.000 0.745 608 L CB -0.741 41.456 42.059 0.229 0.000 0.898 608 L HN 0.092 nan 8.230 nan 0.000 0.433 609 A N -0.464 122.462 122.820 0.177 0.000 1.883 609 A HA -0.264 4.056 4.320 0.000 0.000 0.217 609 A C 2.134 179.786 177.584 0.114 0.000 1.186 609 A CA 2.067 54.198 52.037 0.156 0.000 0.624 609 A CB -0.782 18.299 19.000 0.135 0.000 0.822 609 A HN 0.659 nan 8.150 nan 0.000 0.444 610 E N -0.286 119.971 120.200 0.095 0.000 2.110 610 E HA -0.098 4.252 4.350 0.000 0.000 0.193 610 E C 2.257 178.898 176.600 0.069 0.000 0.988 610 E CA 0.902 57.346 56.400 0.074 0.000 0.804 610 E CB -0.316 29.421 29.700 0.061 0.000 0.745 610 E HN 0.631 nan 8.360 nan 0.000 0.458 611 A N 1.167 124.031 122.820 0.073 0.000 1.972 611 A HA -0.126 4.194 4.320 0.000 0.000 0.219 611 A C 2.068 179.694 177.584 0.069 0.000 1.169 611 A CA 1.078 53.153 52.037 0.064 0.000 0.635 611 A CB -0.177 18.861 19.000 0.062 0.000 0.810 611 A HN 0.116 nan 8.150 nan 0.000 0.446 612 M N -1.581 118.070 119.600 0.085 0.000 2.595 612 M HA 0.121 4.601 4.480 0.000 0.000 0.248 612 M C 1.414 177.762 176.300 0.080 0.000 1.119 612 M CA 1.086 56.438 55.300 0.087 0.000 1.079 612 M CB -0.533 32.132 32.600 0.109 0.000 1.472 612 M HN 0.773 nan 8.290 nan 0.000 0.501 613 G N 1.071 109.916 108.800 0.075 0.000 2.134 613 G HA2 -0.181 3.779 3.960 0.000 0.000 0.209 613 G HA3 -0.181 3.779 3.960 0.000 0.000 0.209 613 G C -0.293 174.650 174.900 0.071 0.000 0.993 613 G CA -0.291 44.850 45.100 0.067 0.000 0.669 613 G HN 0.351 nan 8.290 nan 0.000 0.519 614 L N -0.258 121.014 121.223 0.082 0.000 2.298 614 L HA 0.724 5.064 4.340 0.000 0.000 0.268 614 L C 0.609 177.528 176.870 0.081 0.000 1.010 614 L CA -1.090 53.801 54.840 0.085 0.000 0.812 614 L CB 1.230 43.352 42.059 0.105 0.000 1.331 614 L HN 0.156 nan 8.230 nan 0.000 0.450 615 K N -0.093 120.356 120.400 0.082 0.000 2.201 615 K HA 0.629 4.949 4.320 0.000 0.000 0.278 615 K C -0.454 176.199 176.600 0.089 0.000 1.027 615 K CA -0.358 55.976 56.287 0.079 0.000 0.909 615 K CB 0.929 33.475 32.500 0.077 0.000 1.062 615 K HN 0.757 nan 8.250 nan 0.000 0.465 616 G N 4.272 113.118 108.800 0.076 0.000 2.461 616 G HA2 0.596 4.556 3.960 0.000 0.000 0.323 616 G HA3 0.596 4.556 3.960 0.000 0.000 0.323 616 G C -1.216 173.714 174.900 0.050 0.000 1.229 616 G CA -0.738 44.403 45.100 0.068 0.000 0.941 616 G HN 0.538 nan 8.290 nan 0.000 0.477 617 L N 1.063 122.301 121.223 0.025 0.000 2.388 617 L HA 0.721 5.061 4.340 0.000 0.000 0.264 617 L C -0.058 176.791 176.870 -0.036 0.000 0.998 617 L CA -1.042 53.799 54.840 0.002 0.000 0.817 617 L CB 2.893 44.956 42.059 0.007 0.000 1.338 617 L HN 0.547 nan 8.230 nan 0.000 0.414 618 R N 1.306 121.790 120.500 -0.026 0.000 2.673 618 R HA 0.809 5.149 4.340 0.000 0.000 0.281 618 R C -2.044 174.233 176.300 -0.037 0.000 0.991 618 R CA -0.526 55.555 56.100 -0.032 0.000 0.896 618 R CB 2.458 32.760 30.300 0.002 0.000 1.201 618 R HN 0.417 nan 8.270 nan 0.000 0.457 619 V N 4.662 124.546 119.914 -0.051 0.000 2.531 619 V HA 0.360 4.480 4.120 0.000 0.000 0.301 619 V C 0.043 176.117 176.094 -0.033 0.000 1.034 619 V CA -0.657 61.615 62.300 -0.045 0.000 0.865 619 V CB 1.814 33.596 31.823 -0.067 0.000 0.995 619 V HN 0.910 nan 8.190 nan 0.000 0.424 620 K N 1.922 122.309 120.400 -0.021 0.000 2.380 620 K HA 0.324 4.644 4.320 0.000 0.000 0.200 620 K C 0.178 176.768 176.600 -0.015 0.000 1.201 620 K CA 0.007 56.286 56.287 -0.014 0.000 0.916 620 K CB 0.616 33.113 32.500 -0.005 0.000 1.187 620 K HN 0.471 nan 8.250 nan 0.000 0.498 621 K N 1.617 122.007 120.400 -0.016 0.000 2.118 621 K HA 0.180 4.500 4.320 0.000 0.000 0.267 621 K C 0.621 177.209 176.600 -0.021 0.000 0.991 621 K CA -0.215 56.063 56.287 -0.015 0.000 0.916 621 K CB 1.340 33.833 32.500 -0.011 0.000 1.041 621 K HN 0.043 nan 8.250 nan 0.000 0.455 622 Q N 1.287 121.075 119.800 -0.021 0.000 2.124 622 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 622 Q C 0.896 176.882 176.000 -0.023 0.000 0.977 622 Q CA 1.612 57.400 55.803 -0.025 0.000 0.850 622 Q CB 0.001 28.725 28.738 -0.023 0.000 0.901 622 Q HN 0.507 nan 8.270 nan 0.000 0.429 623 E N 0.854 121.044 120.200 -0.018 0.000 2.333 623 E HA -0.158 4.192 4.350 0.000 0.000 0.198 623 E C 0.932 177.524 176.600 -0.014 0.000 1.007 623 E CA 0.947 57.338 56.400 -0.015 0.000 0.845 623 E CB 0.046 29.739 29.700 -0.011 0.000 0.766 623 E HN 0.438 nan 8.360 nan 0.000 0.507 624 E N -0.552 119.638 120.200 -0.017 0.000 2.473 624 E HA 0.067 4.417 4.350 0.000 0.000 0.204 624 E C 1.392 177.981 176.600 -0.020 0.000 0.994 624 E CA -0.216 56.175 56.400 -0.015 0.000 0.945 624 E CB 0.157 29.849 29.700 -0.013 0.000 0.990 624 E HN 0.072 nan 8.360 nan 0.000 0.493 625 L N 2.105 123.311 121.223 -0.028 0.000 1.990 625 L HA -0.234 4.106 4.340 0.000 0.000 0.213 625 L C 1.588 178.443 176.870 -0.025 0.000 1.072 625 L CA 2.002 56.820 54.840 -0.036 0.000 0.755 625 L CB -0.342 41.690 42.059 -0.045 0.000 0.889 625 L HN 0.036 nan 8.230 nan 0.000 0.432 626 D N -0.342 120.045 120.400 -0.021 0.000 2.123 626 D HA -0.210 4.430 4.640 0.000 0.000 0.196 626 D C 2.073 178.373 176.300 -0.001 0.000 0.992 626 D CA 1.709 55.701 54.000 -0.014 0.000 0.833 626 D CB -0.109 40.680 40.800 -0.018 0.000 0.954 626 D HN 0.540 nan 8.370 nan 0.000 0.455 627 A N 1.159 123.979 122.820 0.000 0.000 1.897 627 A HA -0.137 4.183 4.320 0.000 0.000 0.215 627 A C 2.104 179.702 177.584 0.024 0.000 1.181 627 A CA 1.047 53.091 52.037 0.010 0.000 0.620 627 A CB -0.122 18.881 19.000 0.006 0.000 0.821 627 A HN -0.020 nan 8.150 nan 0.000 0.443 628 K N 0.040 120.450 120.400 0.016 0.000 2.057 628 K HA -0.023 4.297 4.320 0.000 0.000 0.207 628 K C 1.875 178.517 176.600 0.070 0.000 1.049 628 K CA 1.061 57.362 56.287 0.024 0.000 0.931 628 K CB -0.701 31.788 32.500 -0.019 0.000 0.714 628 K HN 0.546 nan 8.250 nan 0.000 0.440 629 L N 1.115 122.373 121.223 0.059 0.000 2.083 629 L HA -0.202 4.138 4.340 0.000 0.000 0.209 629 L C 2.400 179.367 176.870 0.161 0.000 1.083 629 L CA 1.168 56.087 54.840 0.132 0.000 0.752 629 L CB -0.354 41.748 42.059 0.073 0.000 0.899 629 L HN 0.082 nan 8.230 nan 0.000 0.433 630 K N 0.205 120.658 120.400 0.088 0.000 2.002 630 K HA -0.228 4.092 4.320 0.000 0.000 0.209 630 K C 1.926 178.572 176.600 0.076 0.000 1.048 630 K CA 1.564 57.889 56.287 0.063 0.000 0.930 630 K CB -0.383 32.137 32.500 0.034 0.000 0.714 630 K HN 0.378 nan 8.250 nan 0.000 0.438 631 E N 0.114 120.366 120.200 0.088 0.000 2.077 631 E HA -0.200 4.150 4.350 0.000 0.000 0.193 631 E C 1.973 178.656 176.600 0.138 0.000 0.989 631 E CA 0.789 57.243 56.400 0.090 0.000 0.800 631 E CB -0.200 29.549 29.700 0.081 0.000 0.746 631 E HN 0.164 nan 8.360 nan 0.000 0.452 632 F N 1.277 121.231 119.950 0.007 0.000 2.043 632 F HA -0.225 4.302 4.527 0.000 0.000 0.297 632 F C 2.047 177.858 175.800 0.018 0.000 1.121 632 F CA 1.669 59.674 58.000 0.009 0.000 1.199 632 F CB -0.737 38.266 39.000 0.005 0.000 0.968 632 F HN -0.085 nan 8.300 nan 0.000 0.478 633 V N -0.495 119.353 119.914 -0.110 0.000 2.626 633 V HA -0.208 3.912 4.120 0.000 0.000 0.252 633 V C 2.256 178.280 176.094 -0.117 0.000 1.067 633 V CA 1.891 64.061 62.300 -0.217 0.000 1.081 633 V CB -0.784 31.000 31.823 -0.065 0.000 0.686 633 V HN 0.377 nan 8.190 nan 0.000 0.468 634 S N -1.394 114.281 115.700 -0.043 0.000 2.501 634 S HA 0.010 4.480 4.470 0.000 0.000 0.220 634 S C 1.073 175.662 174.600 -0.019 0.000 0.997 634 S CA 0.153 58.340 58.200 -0.021 0.000 0.919 634 S CB -0.063 63.140 63.200 0.005 0.000 0.778 634 S HN 0.593 nan 8.310 nan 0.000 0.523 635 T N 3.684 118.225 114.554 -0.020 0.000 2.946 635 T HA 0.336 4.686 4.350 0.000 0.000 0.311 635 T C 0.247 174.936 174.700 -0.018 0.000 1.063 635 T CA 0.260 62.358 62.100 -0.003 0.000 1.139 635 T CB 0.382 69.262 68.868 0.020 0.000 0.994 635 T HN 0.408 nan 8.240 nan 0.000 0.547 636 K N 1.522 121.923 120.400 0.001 0.000 2.156 636 K HA 0.682 5.002 4.320 0.000 0.000 0.271 636 K C 0.658 177.264 176.600 0.010 0.000 0.995 636 K CA -0.136 56.153 56.287 0.003 0.000 0.890 636 K CB 0.564 33.070 32.500 0.010 0.000 1.073 636 K HN 1.401 nan 8.250 nan 0.000 0.454 637 G N 2.041 110.847 108.800 0.010 0.000 2.757 637 G HA2 -0.094 3.866 3.960 0.000 0.000 0.638 637 G HA3 -0.094 3.866 3.960 0.000 0.000 0.638 637 G C -2.766 172.147 174.900 0.021 0.000 1.344 637 G CA -0.379 44.734 45.100 0.022 0.000 0.855 637 G HN 0.842 nan 8.290 nan 0.000 0.537 638 P HA 0.457 nan 4.420 nan 0.000 0.268 638 P C -0.305 177.036 177.300 0.069 0.000 1.204 638 P CA 0.192 63.323 63.100 0.052 0.000 0.768 638 P CB 1.721 33.463 31.700 0.069 0.000 0.842 639 V N 4.623 124.591 119.914 0.089 0.000 3.012 639 V HA 0.562 4.682 4.120 0.000 0.000 0.307 639 V C -1.636 174.606 176.094 0.247 0.000 1.166 639 V CA -1.131 61.260 62.300 0.150 0.000 0.974 639 V CB 2.332 34.248 31.823 0.155 0.000 1.040 639 V HN 0.488 nan 8.190 nan 0.000 0.428 640 L N 5.985 127.324 121.223 0.192 0.000 2.356 640 L HA 0.773 5.113 4.340 0.000 0.000 0.277 640 L C -1.697 175.156 176.870 -0.028 0.000 0.996 640 L CA -0.779 54.116 54.840 0.092 0.000 0.822 640 L CB 1.657 43.714 42.059 -0.004 0.000 1.256 640 L HN 0.781 nan 8.230 nan 0.000 0.413 641 L N 4.789 125.842 121.223 -0.282 0.000 2.343 641 L HA 0.489 4.829 4.340 0.000 0.000 0.278 641 L C -0.657 175.965 176.870 -0.413 0.000 0.996 641 L CA 0.053 54.620 54.840 -0.456 0.000 0.831 641 L CB 1.655 43.093 42.059 -1.035 0.000 1.232 641 L HN 0.685 nan 8.230 nan 0.000 0.413 642 E N 4.312 124.361 120.200 -0.252 0.000 2.174 642 E HA 0.484 4.834 4.350 0.000 0.000 0.282 642 E C -1.605 174.901 176.600 -0.156 0.000 0.992 642 E CA -0.603 55.673 56.400 -0.206 0.000 0.803 642 E CB 1.454 31.122 29.700 -0.054 0.000 1.090 642 E HN 0.555 nan 8.360 nan 0.000 0.396 643 V N 5.084 124.901 119.914 -0.161 0.000 2.378 643 V HA 0.178 4.298 4.120 0.000 0.000 0.288 643 V C -0.322 175.732 176.094 -0.066 0.000 1.016 643 V CA -0.760 61.471 62.300 -0.115 0.000 0.840 643 V CB 1.423 33.164 31.823 -0.137 0.000 0.994 643 V HN 0.712 nan 8.190 nan 0.000 0.431 644 E N 3.510 123.690 120.200 -0.034 0.000 2.217 644 E HA 0.343 4.693 4.350 0.000 0.000 0.279 644 E C -0.164 176.425 176.600 -0.017 0.000 1.068 644 E CA -0.138 56.260 56.400 -0.004 0.000 0.882 644 E CB 1.383 31.089 29.700 0.011 0.000 1.039 644 E HN 0.649 nan 8.360 nan 0.000 0.418 645 V N 0.155 120.063 119.914 -0.011 0.000 2.994 645 V HA 0.391 4.511 4.120 0.000 0.000 0.318 645 V C 0.343 176.438 176.094 0.001 0.000 1.085 645 V CA -1.213 61.069 62.300 -0.031 0.000 0.998 645 V CB 1.851 33.638 31.823 -0.061 0.000 1.063 645 V HN 0.434 nan 8.190 nan 0.000 0.447 646 D N 1.204 121.595 120.400 -0.015 0.000 2.390 646 D HA 0.201 4.841 4.640 0.000 0.000 0.236 646 D C -0.093 176.245 176.300 0.064 0.000 1.189 646 D CA 0.366 54.380 54.000 0.024 0.000 0.887 646 D CB 0.759 41.568 40.800 0.015 0.000 1.198 646 D HN 0.672 nan 8.370 nan 0.000 0.444 647 K N 1.503 121.960 120.400 0.094 0.000 2.185 647 K HA 0.271 4.591 4.320 0.000 0.000 0.240 647 K C 0.124 176.803 176.600 0.132 0.000 0.983 647 K CA -0.865 55.494 56.287 0.119 0.000 0.873 647 K CB 1.077 33.653 32.500 0.128 0.000 1.118 647 K HN 0.168 nan 8.250 nan 0.000 0.441 648 K N -0.270 120.204 120.400 0.123 0.000 3.150 648 K HA -0.134 4.186 4.320 0.000 0.000 0.267 648 K C -1.031 175.675 176.600 0.178 0.000 1.028 648 K CA 0.336 56.701 56.287 0.129 0.000 0.753 648 K CB -2.108 30.472 32.500 0.133 0.000 1.288 648 K HN 0.378 nan 8.250 nan 0.000 0.473 649 V N 2.361 122.409 119.914 0.223 0.000 2.328 649 V HA 0.240 4.360 4.120 0.000 0.000 0.278 649 V C -1.362 174.959 176.094 0.378 0.000 1.021 649 V CA -1.455 61.008 62.300 0.272 0.000 0.838 649 V CB 1.498 33.446 31.823 0.208 0.000 0.999 649 V HN 0.114 nan 8.190 nan 0.000 0.447 650 P HA 0.196 nan 4.420 nan 0.000 0.275 650 P C -0.524 176.963 177.300 0.312 0.000 1.228 650 P CA -0.103 63.146 63.100 0.249 0.000 0.786 650 P CB 1.562 33.381 31.700 0.199 0.000 0.927 651 V N 4.319 124.286 119.914 0.088 0.000 2.432 651 V HA 0.243 4.363 4.120 0.000 0.000 0.271 651 V C 0.658 176.831 176.094 0.132 0.000 1.046 651 V CA -0.029 62.241 62.300 -0.049 0.000 0.945 651 V CB 0.189 31.550 31.823 -0.770 0.000 0.992 651 V HN 0.391 nan 8.190 nan 0.000 0.471 652 L N 6.654 128.033 121.223 0.259 0.000 2.371 652 L HA 0.601 4.941 4.340 0.000 0.000 0.262 652 L C -2.462 174.592 176.870 0.308 0.000 1.006 652 L CA -1.975 53.053 54.840 0.313 0.000 0.818 652 L CB 2.646 44.924 42.059 0.366 0.000 1.354 652 L HN 0.403 nan 8.230 nan 0.000 0.415 653 P HA 0.278 nan 4.420 nan 0.000 0.274 653 P C -1.182 176.279 177.300 0.268 0.000 1.260 653 P CA -0.461 62.776 63.100 0.228 0.000 0.793 653 P CB 0.599 32.297 31.700 -0.004 0.000 1.048 654 M N 0.329 120.055 119.600 0.209 0.000 2.271 654 M HA 0.395 4.875 4.480 0.000 0.000 0.285 654 M C -2.073 174.260 176.300 0.055 0.000 1.059 654 M CA -0.733 54.620 55.300 0.087 0.000 0.940 654 M CB 1.708 34.381 32.600 0.121 0.000 1.636 654 M HN -0.098 nan 8.290 nan 0.000 0.460 655 V N 4.334 124.234 119.914 -0.025 0.000 2.325 655 V HA 0.888 5.008 4.120 0.000 0.000 0.280 655 V C -0.362 175.728 176.094 -0.006 0.000 1.016 655 V CA -0.343 61.967 62.300 0.018 0.000 0.818 655 V CB 0.814 32.660 31.823 0.038 0.000 1.019 655 V HN 0.922 nan 8.190 nan 0.000 0.434 656 A N 3.384 126.213 122.820 0.015 0.000 2.532 656 A HA 1.029 5.349 4.320 0.000 0.000 0.290 656 A C 0.530 178.111 177.584 -0.004 0.000 1.143 656 A CA 0.066 52.119 52.037 0.026 0.000 0.728 656 A CB 1.554 20.547 19.000 -0.012 0.000 1.317 656 A HN 1.948 nan 8.150 nan 0.000 0.414 657 G N 0.102 108.880 108.800 -0.036 0.000 2.531 657 G HA2 0.113 4.073 3.960 0.000 0.000 0.274 657 G HA3 0.113 4.073 3.960 0.000 0.000 0.274 657 G C 1.051 175.936 174.900 -0.025 0.000 1.159 657 G CA 0.670 45.728 45.100 -0.070 0.000 0.969 657 G HN 2.163 nan 8.290 nan 0.000 0.554 658 G N 0.196 108.983 108.800 -0.023 0.000 3.284 658 G HA2 0.460 4.420 3.960 0.000 0.000 0.236 658 G HA3 0.460 4.420 3.960 0.000 0.000 0.236 658 G C 0.702 175.601 174.900 -0.003 0.000 1.158 658 G CA 1.353 46.447 45.100 -0.010 0.000 0.774 658 G HN 1.059 nan 8.290 nan 0.000 0.545 659 S N 0.033 115.733 115.700 -0.001 0.000 2.576 659 S HA 0.508 4.978 4.470 0.000 0.000 0.276 659 S C 0.876 175.484 174.600 0.014 0.000 1.339 659 S CA -0.123 58.076 58.200 -0.001 0.000 1.039 659 S CB 1.501 64.700 63.200 -0.002 0.000 0.902 659 S HN 0.386 nan 8.310 nan 0.000 0.516 660 G N 0.525 109.330 108.800 0.009 0.000 2.528 660 G HA2 0.436 4.396 3.960 0.000 0.000 0.289 660 G HA3 0.436 4.396 3.960 0.000 0.000 0.289 660 G C 0.769 175.695 174.900 0.045 0.000 1.192 660 G CA -0.822 44.298 45.100 0.033 0.000 0.921 660 G HN 0.703 nan 8.290 nan 0.000 0.512 661 L N 0.133 121.401 121.223 0.074 0.000 2.187 661 L HA -0.084 4.256 4.340 0.000 0.000 0.213 661 L C 2.259 179.196 176.870 0.111 0.000 1.100 661 L CA 1.499 56.389 54.840 0.084 0.000 0.765 661 L CB -0.153 41.953 42.059 0.079 0.000 0.904 661 L HN 0.706 nan 8.230 nan 0.000 0.437 662 D N -0.677 119.744 120.400 0.035 0.000 2.349 662 D HA -0.118 4.522 4.640 0.000 0.000 0.215 662 D C 0.726 176.888 176.300 -0.230 0.000 1.016 662 D CA 0.318 54.307 54.000 -0.018 0.000 0.870 662 D CB -0.054 40.701 40.800 -0.076 0.000 0.917 662 D HN 0.420 nan 8.370 nan 0.000 0.524 663 E N 0.757 120.861 120.200 -0.161 0.000 2.411 663 E HA 0.155 4.505 4.350 0.000 0.000 0.228 663 E C -0.257 176.207 176.600 -0.227 0.000 1.169 663 E CA -0.607 55.642 56.400 -0.251 0.000 1.421 663 E CB -0.290 29.337 29.700 -0.122 0.000 1.333 663 E HN 0.332 nan 8.360 nan 0.000 0.434 664 F N -0.652 119.243 119.950 -0.091 0.000 2.444 664 F HA 0.359 4.886 4.527 0.000 0.000 0.331 664 F C 0.244 176.017 175.800 -0.043 0.000 1.167 664 F CA -1.135 56.822 58.000 -0.071 0.000 1.262 664 F CB 0.280 39.223 39.000 -0.095 0.000 1.196 664 F HN -0.178 nan 8.300 nan 0.000 0.583 665 I N 2.416 123.130 120.570 0.241 0.000 2.297 665 I HA 0.184 4.354 4.170 0.000 0.000 0.291 665 I C 0.031 176.341 176.117 0.322 0.000 1.033 665 I CA -0.184 61.219 61.300 0.173 0.000 1.253 665 I CB 0.448 38.500 38.000 0.087 0.000 1.396 665 I HN 0.740 nan 8.210 nan 0.000 0.476 666 N N 4.593 123.508 118.700 0.359 0.000 2.476 666 N HA 0.311 5.051 4.740 0.000 0.000 0.275 666 N C -0.623 175.083 175.510 0.326 0.000 1.190 666 N CA -0.681 52.612 53.050 0.406 0.000 0.977 666 N CB 1.261 40.055 38.487 0.511 0.000 1.200 666 N HN 0.310 nan 8.380 nan 0.000 0.515 667 F N 1.407 121.493 119.950 0.227 0.000 2.459 667 F HA 0.206 4.733 4.527 0.000 0.000 0.346 667 F C -0.188 175.701 175.800 0.149 0.000 1.128 667 F CA 0.154 58.266 58.000 0.187 0.000 1.268 667 F CB 0.567 39.692 39.000 0.208 0.000 1.161 667 F HN 0.340 nan 8.300 nan 0.000 0.583 668 D N 7.321 127.076 120.400 -1.074 0.000 2.591 668 D HA 0.161 4.801 4.640 0.000 0.000 0.222 668 D C -2.202 173.517 176.300 -0.969 0.000 1.360 668 D CA -1.361 52.148 54.000 -0.818 0.000 0.967 668 D CB 2.299 42.919 40.800 -0.301 0.000 1.456 668 D HN 0.236 nan 8.370 nan 0.000 0.588 669 P HA -0.184 nan 4.420 nan 0.000 0.216 669 P C 1.049 178.256 177.300 -0.156 0.000 1.150 669 P CA 1.081 63.982 63.100 -0.330 0.000 0.843 669 P CB 0.741 32.394 31.700 -0.078 0.000 0.787 670 E N 0.170 120.280 120.200 -0.150 0.000 2.072 670 E HA -0.095 4.255 4.350 0.000 0.000 0.191 670 E C 2.033 178.588 176.600 -0.075 0.000 0.985 670 E CA 0.802 57.153 56.400 -0.082 0.000 0.801 670 E CB -1.192 28.467 29.700 -0.068 0.000 0.750 670 E HN -0.043 nan 8.360 nan 0.000 0.452 671 V N 0.908 120.758 119.914 -0.107 0.000 2.343 671 V HA -0.235 3.885 4.120 0.000 0.000 0.247 671 V C 2.423 178.498 176.094 -0.031 0.000 1.051 671 V CA 2.178 64.437 62.300 -0.068 0.000 1.036 671 V CB -0.553 31.223 31.823 -0.077 0.000 0.654 671 V HN 0.383 nan 8.190 nan 0.000 0.451 672 E N 0.168 120.350 120.200 -0.030 0.000 2.085 672 E HA -0.253 4.097 4.350 0.000 0.000 0.194 672 E C 2.481 179.101 176.600 0.033 0.000 0.994 672 E CA 1.360 57.793 56.400 0.055 0.000 0.801 672 E CB -0.056 29.736 29.700 0.153 0.000 0.743 672 E HN 0.508 nan 8.360 nan 0.000 0.453 673 R N -0.052 120.454 120.500 0.009 0.000 2.096 673 R HA -0.158 4.182 4.340 0.000 0.000 0.235 673 R C 2.544 178.825 176.300 -0.031 0.000 1.127 673 R CA 1.825 57.921 56.100 -0.006 0.000 0.968 673 R CB -0.144 30.153 30.300 -0.005 0.000 0.861 673 R HN 0.347 nan 8.270 nan 0.000 0.440 674 Q N -0.199 119.584 119.800 -0.027 0.000 2.172 674 Q HA -0.124 4.216 4.340 0.000 0.000 0.200 674 Q C 2.102 178.078 176.000 -0.041 0.000 0.964 674 Q CA 0.779 56.562 55.803 -0.034 0.000 0.855 674 Q CB 0.084 28.806 28.738 -0.025 0.000 0.918 674 Q HN 0.275 nan 8.270 nan 0.000 0.444 675 Q N -0.010 119.782 119.800 -0.014 0.000 2.119 675 Q HA -0.088 4.252 4.340 0.000 0.000 0.201 675 Q C 2.088 178.058 176.000 -0.050 0.000 0.972 675 Q CA 1.442 57.255 55.803 0.017 0.000 0.847 675 Q CB -0.185 28.606 28.738 0.089 0.000 0.903 675 Q HN 0.375 nan 8.270 nan 0.000 0.433 676 T N 1.144 115.644 114.554 -0.090 0.000 2.708 676 T HA -0.183 4.167 4.350 0.000 0.000 0.266 676 T C 2.038 176.439 174.700 -0.498 0.000 1.037 676 T CA 2.059 64.004 62.100 -0.258 0.000 1.146 676 T CB -0.218 68.522 68.868 -0.212 0.000 0.865 676 T HN 0.618 nan 8.240 nan 0.000 0.435 677 E N 1.230 121.259 120.200 -0.286 0.000 2.051 677 E HA -0.069 4.281 4.350 0.000 0.000 0.192 677 E C 2.044 178.559 176.600 -0.142 0.000 0.991 677 E CA 1.422 57.706 56.400 -0.195 0.000 0.799 677 E CB -1.043 28.608 29.700 -0.082 0.000 0.748 677 E HN 0.388 nan 8.360 nan 0.000 0.449 678 L N 0.535 121.664 121.223 -0.157 0.000 2.017 678 L HA -0.068 4.272 4.340 0.000 0.000 0.208 678 L C 2.626 179.328 176.870 -0.281 0.000 1.073 678 L CA 2.675 57.402 54.840 -0.189 0.000 0.745 678 L CB -0.470 41.464 42.059 -0.208 0.000 0.894 678 L HN 0.396 nan 8.230 nan 0.000 0.432 679 R N -1.860 118.439 120.500 -0.335 0.000 2.091 679 R HA -0.214 4.126 4.340 0.000 0.000 0.238 679 R C 2.331 178.703 176.300 0.121 0.000 1.136 679 R CA 1.662 57.655 56.100 -0.178 0.000 0.959 679 R CB -0.315 30.040 30.300 0.092 0.000 0.856 679 R HN 0.493 nan 8.270 nan 0.000 0.437 680 H N 0.415 119.492 119.070 0.012 0.000 2.321 680 H HA -0.121 4.435 4.556 0.000 0.000 0.300 680 H C 1.908 177.240 175.328 0.006 0.000 1.087 680 H CA 1.793 57.857 56.048 0.027 0.000 1.319 680 H CB -0.323 29.449 29.762 0.017 0.000 1.379 680 H HN 0.237 nan 8.280 nan 0.000 0.501 681 K N 0.929 121.397 120.400 0.114 0.000 2.057 681 K HA -0.119 4.201 4.320 0.000 0.000 0.207 681 K C 2.175 178.796 176.600 0.035 0.000 1.049 681 K CA 1.225 57.542 56.287 0.051 0.000 0.931 681 K CB 0.118 32.627 32.500 0.015 0.000 0.714 681 K HN 0.149 nan 8.250 nan 0.000 0.440 682 R N -0.372 120.137 120.500 0.016 0.000 2.153 682 R HA -0.033 4.307 4.340 0.000 0.000 0.218 682 R C 1.676 178.019 176.300 0.073 0.000 1.072 682 R CA 1.587 57.702 56.100 0.025 0.000 0.990 682 R CB 0.065 30.358 30.300 -0.012 0.000 0.889 682 R HN 0.376 nan 8.270 nan 0.000 0.452 683 T N -3.527 111.099 114.554 0.121 0.000 3.105 683 T HA 0.221 4.571 4.350 0.000 0.000 0.253 683 T C 1.097 175.838 174.700 0.069 0.000 1.047 683 T CA 0.257 62.450 62.100 0.154 0.000 0.944 683 T CB 0.981 70.036 68.868 0.312 0.000 1.016 683 T HN 0.295 nan 8.240 nan 0.000 0.544 684 G N 1.076 109.904 108.800 0.047 0.000 2.221 684 G HA2 0.123 4.083 3.960 0.000 0.000 0.265 684 G HA3 0.123 4.083 3.960 0.000 0.000 0.265 684 G C 0.986 175.869 174.900 -0.027 0.000 1.041 684 G CA 0.146 45.252 45.100 0.010 0.000 0.807 684 G HN 1.802 nan 8.290 nan 0.000 0.502 685 G N -0.945 107.839 108.800 -0.027 0.000 2.198 685 G HA2 -0.278 3.682 3.960 0.000 0.000 0.257 685 G HA3 -0.278 3.682 3.960 0.000 0.000 0.257 685 G C 0.785 175.565 174.900 -0.200 0.000 1.042 685 G CA 1.315 46.330 45.100 -0.142 0.000 0.791 685 G HN 1.200 nan 8.290 nan 0.000 0.502 686 K N -1.131 119.162 120.400 -0.179 0.000 2.308 686 K HA 0.188 4.508 4.320 0.000 0.000 0.197 686 K C 0.908 177.152 176.600 -0.595 0.000 1.049 686 K CA 0.421 56.484 56.287 -0.374 0.000 0.991 686 K CB 0.229 32.498 32.500 -0.385 0.000 0.836 686 K HN 0.553 nan 8.250 nan 0.000 0.500 687 H N 0.000 119.098 119.070 0.046 0.000 2.539 687 H HA 0.000 4.556 4.556 0.000 0.000 0.296 687 H CA 0.000 56.115 56.048 0.111 0.000 1.023 687 H CB 0.000 29.825 29.762 0.105 0.000 1.292 687 H HN 0.000 nan 8.280 nan 0.000 0.496