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 3a8u_1_X DATA FIRST_RESID 8 DATA SEQUENCE ASLASQLKLD AHWMPYTANR NFLRDPRLIV AAEGSWLVDD KGRKVYDSLS DATA SEQUENCE GLWTCGAGHT RKEIQEAVAK QLSTLDYSPG FQYGHPLSFQ LAEKITDLTP DATA SEQUENCE GNLNHVFFTD SGSECALTAV KMVRAYWRLK GQATKTKMIG RARGYHGVNI DATA SEQUENCE AGTSLGGVNG NRKLFGQPMQ DVDHLPHTLL ASNAYSRGMP KEGGIALADE DATA SEQUENCE LLKLIELHDA SNIAAVFVEP LAGSAGVLVP PEGYLKRNRE ICNQHNILLV DATA SEQUENCE FDEVITGFGR TGSMFGADSF GVTPDLMCIA KQVTNGAIPM GAVIASTEIY DATA SEQUENCE QTFMNQPTPE YAVEFPHGYT YSAHPVACAA GLAALCLLQK ENLVQSVAEV DATA SEQUENCE APHFEKALHG IKGAKNVIDI RNFGLAGAIQ IAPRDGDAIV RPFEAGMALW DATA SEQUENCE KAGFYVRFGG DTLQFGPTFN SKPQDLDRLF DAVGEVLNKL L 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.588 177.584 0.007 0.000 1.274 8 A CA 0.000 52.040 52.037 0.005 0.000 0.836 8 A CB 0.000 19.003 19.000 0.006 0.000 0.831 9 S N 1.521 117.226 115.700 0.008 0.000 2.579 9 S HA 0.322 4.792 4.470 -0.001 0.000 0.275 9 S C 1.153 175.763 174.600 0.016 0.000 1.345 9 S CA 0.169 58.375 58.200 0.011 0.000 1.031 9 S CB 0.663 63.868 63.200 0.009 0.000 0.892 9 S HN 1.760 nan 8.310 nan 0.000 0.529 10 L N 2.862 124.098 121.223 0.022 0.000 2.012 10 L HA 0.027 4.367 4.340 -0.001 0.000 0.210 10 L C 2.683 179.574 176.870 0.034 0.000 1.073 10 L CA 2.456 57.313 54.840 0.029 0.000 0.748 10 L CB -1.793 40.289 42.059 0.037 0.000 0.891 10 L HN 0.979 nan 8.230 nan 0.000 0.431 11 A N -0.942 121.897 122.820 0.031 0.000 1.940 11 A HA -0.255 4.064 4.320 -0.001 0.000 0.219 11 A C 2.464 180.065 177.584 0.029 0.000 1.176 11 A CA 2.203 54.260 52.037 0.033 0.000 0.631 11 A CB -1.178 17.823 19.000 0.003 0.000 0.814 11 A HN 0.682 nan 8.150 nan 0.000 0.446 12 S N -1.189 114.523 115.700 0.019 0.000 2.469 12 S HA -0.137 4.332 4.470 -0.001 0.000 0.238 12 S C 1.464 176.076 174.600 0.021 0.000 0.998 12 S CA 1.298 59.508 58.200 0.017 0.000 0.957 12 S CB -0.217 62.989 63.200 0.011 0.000 0.764 12 S HN 0.549 nan 8.310 nan 0.000 0.514 13 Q N 0.457 120.271 119.800 0.024 0.000 2.319 13 Q HA 0.452 4.792 4.340 -0.001 0.000 0.202 13 Q C -0.030 175.988 176.000 0.031 0.000 0.896 13 Q CA 0.115 55.932 55.803 0.024 0.000 0.942 13 Q CB 0.169 28.919 28.738 0.021 0.000 1.083 13 Q HN 0.575 nan 8.270 nan 0.000 0.510 14 L N 0.447 121.695 121.223 0.041 0.000 2.331 14 L HA 0.416 4.756 4.340 -0.001 0.000 0.275 14 L C 0.378 177.281 176.870 0.055 0.000 1.022 14 L CA -0.703 54.169 54.840 0.054 0.000 0.812 14 L CB 1.588 43.693 42.059 0.076 0.000 1.257 14 L HN -0.227 nan 8.230 nan 0.000 0.435 15 K N 2.439 122.872 120.400 0.056 0.000 2.184 15 K HA 0.268 4.588 4.320 -0.001 0.000 0.259 15 K C 0.806 177.453 176.600 0.078 0.000 1.119 15 K CA -0.206 56.113 56.287 0.054 0.000 0.991 15 K CB 0.280 32.806 32.500 0.043 0.000 1.522 15 K HN 0.634 nan 8.250 nan 0.000 0.405 16 L N 1.809 123.085 121.223 0.088 0.000 2.083 16 L HA -0.198 4.141 4.340 -0.001 0.000 0.209 16 L C 1.812 178.744 176.870 0.103 0.000 1.083 16 L CA 1.167 56.083 54.840 0.126 0.000 0.752 16 L CB -0.337 41.813 42.059 0.152 0.000 0.899 16 L HN 0.677 nan 8.230 nan 0.000 0.433 17 D N 0.145 120.582 120.400 0.061 0.000 2.363 17 D HA -0.090 4.549 4.640 -0.001 0.000 0.220 17 D C 1.829 178.154 176.300 0.043 0.000 0.994 17 D CA 0.910 54.924 54.000 0.024 0.000 0.890 17 D CB 0.133 40.925 40.800 -0.013 0.000 0.906 17 D HN 0.213 nan 8.370 nan 0.000 0.530 18 A N -0.159 122.709 122.820 0.079 0.000 2.066 18 A HA -0.131 4.188 4.320 -0.001 0.000 0.218 18 A C 1.123 178.812 177.584 0.174 0.000 1.157 18 A CA 0.596 52.692 52.037 0.097 0.000 0.670 18 A CB -0.804 18.243 19.000 0.078 0.000 0.804 18 A HN 0.547 nan 8.150 nan 0.000 0.453 19 H N -1.482 117.626 119.070 0.062 0.000 2.581 19 H HA 0.250 4.806 4.556 -0.000 0.000 0.308 19 H C -1.259 174.152 175.328 0.139 0.000 1.040 19 H CA -1.126 54.971 56.048 0.082 0.000 1.231 19 H CB 0.325 30.107 29.762 0.033 0.000 1.396 19 H HN 0.412 nan 8.280 nan 0.000 0.467 20 W N 8.374 129.718 121.300 0.072 0.000 2.507 20 W HA 0.190 4.849 4.660 -0.002 0.000 0.334 20 W C -0.996 175.385 176.519 -0.230 0.000 1.165 20 W CA -1.181 56.118 57.345 -0.077 0.000 1.460 20 W CB -0.326 29.133 29.460 -0.002 0.000 1.404 20 W HN 0.639 nan 8.180 nan 0.000 0.435 21 M N 8.878 128.424 119.600 -0.090 0.000 2.242 21 M HA 0.189 4.669 4.480 -0.001 0.000 0.344 21 M C -1.588 174.646 176.300 -0.110 0.000 1.140 21 M CA -1.446 53.615 55.300 -0.398 0.000 1.160 21 M CB 0.621 32.904 32.600 -0.529 0.000 1.491 21 M HN 0.179 nan 8.290 nan 0.000 0.459 22 P HA 0.074 nan 4.420 nan 0.000 0.285 22 P C -1.013 176.312 177.300 0.042 0.000 1.259 22 P CA -0.241 62.826 63.100 -0.055 0.000 0.794 22 P CB 0.353 32.056 31.700 0.004 0.000 0.940 23 Y N -0.582 119.709 120.300 -0.015 0.000 2.973 23 Y HA -0.209 4.341 4.550 -0.000 0.000 0.210 23 Y C 0.137 176.029 175.900 -0.014 0.000 1.191 23 Y CA 1.218 59.319 58.100 0.001 0.000 0.991 23 Y CB -2.224 36.231 38.460 -0.008 0.000 1.231 23 Y HN 0.281 nan 8.280 nan 0.000 0.504 24 T N -0.369 114.251 114.554 0.111 0.000 2.893 24 T HA 0.740 5.089 4.350 -0.001 0.000 0.293 24 T C -0.056 174.704 174.700 0.101 0.000 1.027 24 T CA -0.255 61.888 62.100 0.072 0.000 0.988 24 T CB 1.642 70.479 68.868 -0.052 0.000 1.043 24 T HN 0.388 nan 8.240 nan 0.000 0.461 25 A N 2.933 125.827 122.820 0.122 0.000 2.666 25 A HA 0.225 4.545 4.320 -0.001 0.000 0.301 25 A C 1.371 179.020 177.584 0.109 0.000 1.470 25 A CA -0.296 51.797 52.037 0.094 0.000 1.159 25 A CB -0.633 18.400 19.000 0.055 0.000 1.116 25 A HN 0.897 nan 8.150 nan 0.000 0.548 26 N N 1.535 120.281 118.700 0.078 0.000 2.166 26 N HA -0.159 4.581 4.740 -0.001 0.000 0.186 26 N C 1.709 177.270 175.510 0.084 0.000 1.019 26 N CA 1.160 54.251 53.050 0.068 0.000 0.856 26 N CB 0.036 38.518 38.487 -0.009 0.000 0.993 26 N HN 0.680 nan 8.380 nan 0.000 0.426 27 R N 1.190 121.713 120.500 0.037 0.000 2.091 27 R HA -0.085 4.255 4.340 -0.001 0.000 0.238 27 R C 2.114 178.445 176.300 0.052 0.000 1.136 27 R CA 1.087 57.201 56.100 0.022 0.000 0.959 27 R CB -0.344 29.951 30.300 -0.008 0.000 0.856 27 R HN 0.344 nan 8.270 nan 0.000 0.437 28 N N 0.444 119.186 118.700 0.071 0.000 2.142 28 N HA -0.198 4.542 4.740 -0.001 0.000 0.186 28 N C 1.721 177.306 175.510 0.124 0.000 1.023 28 N CA 1.207 54.315 53.050 0.098 0.000 0.852 28 N CB -0.083 38.475 38.487 0.119 0.000 0.998 28 N HN 0.118 nan 8.380 nan 0.000 0.424 29 F N 1.300 121.272 119.950 0.036 0.000 2.134 29 F HA -0.114 4.412 4.527 -0.002 0.000 0.299 29 F C 2.000 177.805 175.800 0.009 0.000 1.097 29 F CA 0.770 58.781 58.000 0.019 0.000 1.264 29 F CB -0.149 38.850 39.000 -0.001 0.000 1.001 29 F HN 0.017 nan 8.300 nan 0.000 0.479 30 L N 0.284 121.606 121.223 0.166 0.000 2.131 30 L HA -0.131 4.209 4.340 -0.001 0.000 0.210 30 L C 2.449 179.310 176.870 -0.015 0.000 1.092 30 L CA 1.496 56.385 54.840 0.082 0.000 0.759 30 L CB -1.254 40.851 42.059 0.076 0.000 0.903 30 L HN 0.134 nan 8.230 nan 0.000 0.435 31 R N -0.763 119.726 120.500 -0.019 0.000 2.127 31 R HA -0.058 4.281 4.340 -0.001 0.000 0.217 31 R C 0.020 176.282 176.300 -0.063 0.000 1.074 31 R CA 0.969 57.053 56.100 -0.026 0.000 0.991 31 R CB 0.302 30.602 30.300 0.001 0.000 0.895 31 R HN 0.229 nan 8.270 nan 0.000 0.450 32 D N 0.355 120.680 120.400 -0.125 0.000 2.621 32 D HA 0.222 4.861 4.640 -0.001 0.000 0.274 32 D C -2.674 173.395 176.300 -0.385 0.000 1.215 32 D CA -2.190 51.715 54.000 -0.158 0.000 0.810 32 D CB 1.112 41.875 40.800 -0.062 0.000 1.248 32 D HN -0.043 nan 8.370 nan 0.000 0.517 33 P HA 0.248 nan 4.420 nan 0.000 0.271 33 P C -0.735 176.212 177.300 -0.589 0.000 1.216 33 P CA -0.144 62.356 63.100 -1.001 0.000 0.771 33 P CB 0.599 31.973 31.700 -0.542 0.000 0.864 34 R N 3.050 123.155 120.500 -0.659 0.000 2.310 34 R HA 0.480 4.820 4.340 -0.001 0.000 0.316 34 R C -0.588 175.749 176.300 0.063 0.000 1.004 34 R CA -0.516 55.460 56.100 -0.206 0.000 0.900 34 R CB 0.668 30.633 30.300 -0.557 0.000 1.152 34 R HN 0.441 nan 8.270 nan 0.000 0.513 35 L N 4.577 125.895 121.223 0.159 0.000 2.322 35 L HA 0.573 4.912 4.340 -0.001 0.000 0.281 35 L C -0.306 176.682 176.870 0.197 0.000 1.014 35 L CA -0.833 54.121 54.840 0.189 0.000 0.815 35 L CB 1.728 43.879 42.059 0.153 0.000 1.247 35 L HN 0.440 nan 8.230 nan 0.000 0.421 36 I N 3.120 123.775 120.570 0.143 0.000 2.441 36 I HA 0.224 4.394 4.170 -0.001 0.000 0.295 36 I C 0.733 176.885 176.117 0.058 0.000 0.994 36 I CA -0.350 61.018 61.300 0.113 0.000 1.144 36 I CB 1.974 40.013 38.000 0.066 0.000 1.314 36 I HN 0.474 nan 8.210 nan 0.000 0.445 37 V N 2.227 122.165 119.914 0.040 0.000 3.548 37 V HA 0.733 4.852 4.120 -0.001 0.000 0.279 37 V C 0.383 176.476 176.094 -0.003 0.000 1.446 37 V CA 0.332 62.644 62.300 0.020 0.000 1.023 37 V CB 0.245 32.083 31.823 0.025 0.000 0.820 37 V HN 0.708 nan 8.190 nan 0.000 0.438 38 A N -0.301 122.509 122.820 -0.017 0.000 2.599 38 A HA 1.004 5.324 4.320 -0.001 0.000 0.290 38 A C -0.811 176.726 177.584 -0.078 0.000 1.101 38 A CA -0.133 51.882 52.037 -0.035 0.000 0.674 38 A CB 1.412 20.399 19.000 -0.022 0.000 1.277 38 A HN 1.806 nan 8.150 nan 0.000 0.419 39 A N 0.005 122.767 122.820 -0.096 0.000 2.604 39 A HA 0.850 5.170 4.320 -0.001 0.000 0.295 39 A C -1.029 176.530 177.584 -0.041 0.000 1.067 39 A CA 0.023 51.952 52.037 -0.180 0.000 0.683 39 A CB 1.560 20.212 19.000 -0.580 0.000 1.281 39 A HN 1.190 nan 8.150 nan 0.000 0.407 40 E N 0.540 120.764 120.200 0.040 0.000 2.347 40 E HA 0.482 4.832 4.350 -0.001 0.000 0.285 40 E C 0.492 177.223 176.600 0.217 0.000 0.925 40 E CA 0.251 56.727 56.400 0.127 0.000 0.779 40 E CB 1.505 31.256 29.700 0.086 0.000 1.233 40 E HN 2.392 nan 8.360 nan 0.000 0.414 41 G N 2.514 111.434 108.800 0.200 0.000 2.622 41 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.307 41 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.307 41 G C 0.573 175.567 174.900 0.158 0.000 1.226 41 G CA 0.372 45.581 45.100 0.182 0.000 0.997 41 G HN 0.589 nan 8.290 nan 0.000 0.551 42 S N 0.577 116.317 115.700 0.066 0.000 2.660 42 S HA 0.346 4.815 4.470 -0.001 0.000 0.227 42 S C -0.432 173.793 174.600 -0.624 0.000 0.948 42 S CA 0.423 58.426 58.200 -0.328 0.000 0.948 42 S CB -0.124 62.778 63.200 -0.497 0.000 0.779 42 S HN 0.391 nan 8.310 nan 0.000 0.487 43 W N 0.924 122.207 121.300 -0.029 0.000 2.819 43 W HA 0.626 5.285 4.660 -0.001 0.000 0.337 43 W C -0.689 175.743 176.519 -0.145 0.000 1.077 43 W CA -0.785 56.520 57.345 -0.066 0.000 1.226 43 W CB 0.832 30.280 29.460 -0.020 0.000 1.419 43 W HN -0.084 nan 8.180 nan 0.000 0.502 44 L N 2.653 123.926 121.223 0.083 0.000 2.352 44 L HA 0.786 5.126 4.340 -0.001 0.000 0.269 44 L C -0.363 176.533 176.870 0.044 0.000 1.034 44 L CA -1.430 53.394 54.840 -0.026 0.000 0.806 44 L CB 1.154 43.203 42.059 -0.018 0.000 1.244 44 L HN 0.046 nan 8.230 nan 0.000 0.447 45 V N 0.566 120.483 119.914 0.005 0.000 2.444 45 V HA 0.253 4.372 4.120 -0.001 0.000 0.294 45 V C -0.547 175.563 176.094 0.026 0.000 1.022 45 V CA -0.834 61.467 62.300 0.002 0.000 0.850 45 V CB 1.631 33.446 31.823 -0.014 0.000 0.992 45 V HN 0.837 nan 8.190 nan 0.000 0.426 46 D N 3.108 123.522 120.400 0.022 0.000 2.451 46 D HA 0.084 4.723 4.640 -0.001 0.000 0.259 46 D C 0.967 177.303 176.300 0.060 0.000 1.201 46 D CA -0.384 53.673 54.000 0.094 0.000 1.028 46 D CB 0.595 41.480 40.800 0.142 0.000 1.095 46 D HN 0.557 nan 8.370 nan 0.000 0.539 47 D N -0.662 119.791 120.400 0.088 0.000 2.310 47 D HA -0.164 4.475 4.640 -0.001 0.000 0.212 47 D C 0.756 177.073 176.300 0.029 0.000 0.965 47 D CA 0.663 54.697 54.000 0.056 0.000 0.879 47 D CB -0.067 40.774 40.800 0.067 0.000 0.921 47 D HN 0.311 nan 8.370 nan 0.000 0.510 48 K N -0.116 120.296 120.400 0.020 0.000 2.404 48 K HA 0.202 4.522 4.320 -0.001 0.000 0.194 48 K C 1.431 178.015 176.600 -0.027 0.000 1.023 48 K CA 0.595 56.879 56.287 -0.006 0.000 1.094 48 K CB 0.590 33.082 32.500 -0.013 0.000 0.841 48 K HN 0.318 nan 8.250 nan 0.000 0.523 49 G N 2.404 111.187 108.800 -0.028 0.000 2.143 49 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.249 49 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.249 49 G C -0.129 174.729 174.900 -0.070 0.000 0.981 49 G CA -0.090 44.984 45.100 -0.043 0.000 0.665 49 G HN 0.313 nan 8.290 nan 0.000 0.528 50 R N 0.372 120.818 120.500 -0.089 0.000 2.490 50 R HA 0.429 4.768 4.340 -0.001 0.000 0.280 50 R C 0.301 176.531 176.300 -0.117 0.000 1.077 50 R CA -0.156 55.867 56.100 -0.128 0.000 1.065 50 R CB 0.742 30.929 30.300 -0.189 0.000 1.003 50 R HN 0.168 nan 8.270 nan 0.000 0.470 51 K N 1.930 122.260 120.400 -0.118 0.000 2.258 51 K HA 0.269 4.589 4.320 -0.001 0.000 0.284 51 K C -0.776 175.871 176.600 0.078 0.000 1.051 51 K CA -0.343 55.923 56.287 -0.034 0.000 0.923 51 K CB 1.465 33.838 32.500 -0.211 0.000 1.046 51 K HN 0.220 nan 8.250 nan 0.000 0.474 52 V N 4.161 124.182 119.914 0.178 0.000 2.487 52 V HA 0.115 4.235 4.120 -0.001 0.000 0.298 52 V C -0.814 175.398 176.094 0.197 0.000 1.028 52 V CA -1.046 61.297 62.300 0.071 0.000 0.860 52 V CB 1.052 32.776 31.823 -0.164 0.000 0.991 52 V HN 0.615 nan 8.190 nan 0.000 0.427 53 Y N 3.519 123.752 120.300 -0.112 0.000 2.544 53 Y HA 0.187 4.736 4.550 -0.001 0.000 0.330 53 Y C 0.568 176.403 175.900 -0.109 0.000 1.136 53 Y CA -0.053 57.766 58.100 -0.468 0.000 1.417 53 Y CB 0.646 38.818 38.460 -0.480 0.000 1.229 53 Y HN 0.704 nan 8.280 nan 0.000 0.532 54 D N 3.795 123.771 120.400 -0.706 0.000 2.441 54 D HA 0.049 4.688 4.640 -0.001 0.000 0.221 54 D C 0.456 176.520 176.300 -0.395 0.000 1.156 54 D CA 0.099 53.960 54.000 -0.232 0.000 0.896 54 D CB 0.546 41.291 40.800 -0.091 0.000 1.028 54 D HN 0.621 nan 8.370 nan 0.000 0.509 55 S N 2.801 118.407 115.700 -0.157 0.000 2.575 55 S HA 0.021 4.490 4.470 -0.001 0.000 0.215 55 S C 1.089 175.586 174.600 -0.172 0.000 0.966 55 S CA -0.303 57.852 58.200 -0.075 0.000 0.911 55 S CB 0.185 63.477 63.200 0.154 0.000 0.780 55 S HN 0.378 nan 8.310 nan 0.000 0.514 56 L N 1.300 122.364 121.223 -0.264 0.000 3.122 56 L HA 0.455 4.794 4.340 -0.001 0.000 0.274 56 L C 0.281 176.996 176.870 -0.260 0.000 1.222 56 L CA 0.234 54.827 54.840 -0.412 0.000 1.028 56 L CB -0.101 41.586 42.059 -0.620 0.000 1.386 56 L HN 0.273 nan 8.230 nan 0.000 0.578 57 S N 0.231 115.835 115.700 -0.161 0.000 3.549 57 S HA -0.140 4.330 4.470 -0.001 0.000 0.366 57 S C 1.281 175.810 174.600 -0.119 0.000 1.012 57 S CA 1.133 59.226 58.200 -0.178 0.000 1.141 57 S CB -1.920 61.151 63.200 -0.215 0.000 0.910 57 S HN 1.120 nan 8.310 nan 0.000 0.471 58 G N 0.149 108.972 108.800 0.038 0.000 3.594 58 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.285 58 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.285 58 G C -0.255 174.666 174.900 0.035 0.000 1.551 58 G CA 0.159 45.297 45.100 0.063 0.000 1.061 58 G HN 1.220 nan 8.290 nan 0.000 0.624 59 L N 0.333 121.558 121.223 0.002 0.000 2.625 59 L HA 0.567 4.907 4.340 -0.001 0.000 0.255 59 L C -0.199 176.770 176.870 0.164 0.000 1.493 59 L CA -0.094 54.747 54.840 0.001 0.000 0.796 59 L CB -0.417 41.686 42.059 0.074 0.000 1.064 59 L HN 0.849 nan 8.230 nan 0.000 0.516 60 W N -0.431 120.879 121.300 0.018 0.000 4.141 60 W HA -0.356 4.303 4.660 -0.002 0.000 0.336 60 W C 1.283 177.799 176.519 -0.004 0.000 1.258 60 W CA 1.014 58.369 57.345 0.016 0.000 0.747 60 W CB -2.132 27.358 29.460 0.049 0.000 2.338 60 W HN 0.480 nan 8.180 nan 0.000 1.410 61 T N -5.947 108.668 114.554 0.102 0.000 2.999 61 T HA 0.166 4.516 4.350 -0.001 0.000 0.247 61 T C 0.682 175.317 174.700 -0.107 0.000 1.012 61 T CA 0.972 63.090 62.100 0.029 0.000 1.048 61 T CB -0.013 68.866 68.868 0.017 0.000 1.020 61 T HN 0.185 nan 8.240 nan 0.000 0.478 62 C N 3.054 122.219 119.300 -0.226 0.000 2.626 62 C HA 0.685 5.145 4.460 -0.001 0.000 0.356 62 C C 2.215 176.931 174.990 -0.456 0.000 1.398 62 C CA -1.096 57.703 59.018 -0.365 0.000 1.678 62 C CB -1.282 26.095 27.740 -0.605 0.000 2.430 62 C HN 0.717 nan 8.230 nan 0.000 0.561 63 G N 1.027 109.470 108.800 -0.594 0.000 2.448 63 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.219 63 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.219 63 G C 1.533 175.928 174.900 -0.841 0.000 1.127 63 G CA 1.002 45.399 45.100 -1.172 0.000 0.766 63 G HN 0.695 nan 8.290 nan 0.000 0.552 64 A N -0.381 122.166 122.820 -0.454 0.000 2.238 64 A HA 0.552 4.871 4.320 -0.001 0.000 0.208 64 A C 1.334 178.829 177.584 -0.148 0.000 1.177 64 A CA 1.163 53.083 52.037 -0.194 0.000 0.804 64 A CB -0.526 18.415 19.000 -0.099 0.000 0.823 64 A HN 1.733 nan 8.150 nan 0.000 0.482 65 G N -1.208 107.459 108.800 -0.222 0.000 2.663 65 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.686 65 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.686 65 G C -0.653 174.146 174.900 -0.169 0.000 1.246 65 G CA -0.589 44.418 45.100 -0.155 0.000 0.795 65 G HN 0.484 nan 8.290 nan 0.000 0.627 66 H N 0.476 119.514 119.070 -0.053 0.000 2.615 66 H HA 0.406 4.961 4.556 -0.001 0.000 0.363 66 H C 1.586 176.904 175.328 -0.017 0.000 1.148 66 H CA 1.511 57.537 56.048 -0.037 0.000 1.401 66 H CB 0.927 30.675 29.762 -0.024 0.000 1.461 66 H HN 1.728 nan 8.280 nan 0.000 0.588 67 T N 0.991 115.615 114.554 0.116 0.000 3.803 67 T HA -0.204 4.146 4.350 -0.001 0.000 0.376 67 T C 0.073 174.795 174.700 0.038 0.000 0.761 67 T CA -0.040 62.099 62.100 0.065 0.000 1.962 67 T CB -1.391 67.516 68.868 0.066 0.000 1.780 67 T HN 0.499 nan 8.240 nan 0.000 0.771 68 R N 1.103 121.613 120.500 0.017 0.000 2.442 68 R HA 0.327 4.667 4.340 -0.001 0.000 0.291 68 R C 1.718 178.021 176.300 0.006 0.000 1.069 68 R CA -0.295 55.809 56.100 0.008 0.000 1.022 68 R CB 0.597 30.892 30.300 -0.008 0.000 0.976 68 R HN 0.614 nan 8.270 nan 0.000 0.443 69 K N 2.053 122.458 120.400 0.009 0.000 2.097 69 K HA -0.188 4.132 4.320 -0.001 0.000 0.206 69 K C 1.431 178.032 176.600 0.001 0.000 1.049 69 K CA 1.613 57.904 56.287 0.005 0.000 0.933 69 K CB 0.155 32.659 32.500 0.008 0.000 0.717 69 K HN 0.453 nan 8.250 nan 0.000 0.442 70 E N 0.692 120.892 120.200 0.001 0.000 2.110 70 E HA -0.145 4.205 4.350 -0.001 0.000 0.193 70 E C 1.791 178.386 176.600 -0.007 0.000 0.988 70 E CA 1.062 57.461 56.400 -0.001 0.000 0.804 70 E CB -0.087 29.613 29.700 0.001 0.000 0.745 70 E HN 0.285 nan 8.360 nan 0.000 0.458 71 I N 0.485 121.048 120.570 -0.011 0.000 2.286 71 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 71 I C 2.598 178.705 176.117 -0.017 0.000 1.104 71 I CA 0.768 62.058 61.300 -0.018 0.000 1.397 71 I CB -0.210 37.775 38.000 -0.025 0.000 1.072 71 I HN 0.140 nan 8.210 nan 0.000 0.417 72 Q N 1.455 121.248 119.800 -0.012 0.000 2.061 72 Q HA -0.261 4.078 4.340 -0.001 0.000 0.204 72 Q C 1.922 177.915 176.000 -0.011 0.000 0.984 72 Q CA 1.925 57.722 55.803 -0.011 0.000 0.846 72 Q CB -0.049 28.685 28.738 -0.006 0.000 0.902 72 Q HN 0.561 nan 8.270 nan 0.000 0.421 73 E N -0.215 119.980 120.200 -0.008 0.000 2.072 73 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 73 E C 1.921 178.515 176.600 -0.009 0.000 0.985 73 E CA 0.924 57.320 56.400 -0.007 0.000 0.801 73 E CB -0.101 29.596 29.700 -0.004 0.000 0.750 73 E HN 0.441 nan 8.360 nan 0.000 0.452 74 A N 0.821 123.634 122.820 -0.011 0.000 1.902 74 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 74 A C 2.463 180.037 177.584 -0.018 0.000 1.181 74 A CA 1.131 53.160 52.037 -0.013 0.000 0.623 74 A CB -0.543 18.450 19.000 -0.013 0.000 0.818 74 A HN 0.116 nan 8.150 nan 0.000 0.443 75 V N -0.305 119.596 119.914 -0.021 0.000 2.379 75 V HA -0.170 3.949 4.120 -0.001 0.000 0.245 75 V C 3.033 179.115 176.094 -0.021 0.000 1.044 75 V CA 1.721 64.006 62.300 -0.025 0.000 1.036 75 V CB -1.092 30.712 31.823 -0.031 0.000 0.664 75 V HN 0.604 nan 8.190 nan 0.000 0.453 76 A N -0.092 122.717 122.820 -0.018 0.000 1.902 76 A HA -0.268 4.052 4.320 -0.001 0.000 0.217 76 A C 2.347 179.922 177.584 -0.015 0.000 1.181 76 A CA 2.213 54.240 52.037 -0.016 0.000 0.623 76 A CB -0.481 18.511 19.000 -0.013 0.000 0.818 76 A HN 0.511 nan 8.150 nan 0.000 0.443 77 K N -0.952 119.440 120.400 -0.014 0.000 2.057 77 K HA -0.242 4.078 4.320 -0.001 0.000 0.207 77 K C 2.279 178.868 176.600 -0.018 0.000 1.049 77 K CA 1.779 58.058 56.287 -0.014 0.000 0.931 77 K CB -0.152 32.341 32.500 -0.011 0.000 0.714 77 K HN 0.399 nan 8.250 nan 0.000 0.440 78 Q N 1.041 120.827 119.800 -0.022 0.000 2.084 78 Q HA -0.061 4.279 4.340 -0.001 0.000 0.202 78 Q C 1.833 177.815 176.000 -0.030 0.000 0.978 78 Q CA 1.451 57.235 55.803 -0.033 0.000 0.844 78 Q CB -0.145 28.571 28.738 -0.038 0.000 0.898 78 Q HN 0.400 nan 8.270 nan 0.000 0.426 79 L N -0.184 121.028 121.223 -0.019 0.000 2.551 79 L HA -0.017 4.322 4.340 -0.001 0.000 0.228 79 L C 1.425 178.286 176.870 -0.014 0.000 1.153 79 L CA 0.580 55.413 54.840 -0.012 0.000 0.851 79 L CB 0.010 42.064 42.059 -0.009 0.000 0.959 79 L HN 0.097 nan 8.230 nan 0.000 0.451 80 S N -1.938 113.752 115.700 -0.016 0.000 2.556 80 S HA 0.049 4.518 4.470 -0.001 0.000 0.216 80 S C 1.500 176.090 174.600 -0.018 0.000 0.970 80 S CA 0.348 58.539 58.200 -0.015 0.000 0.912 80 S CB 0.434 63.627 63.200 -0.012 0.000 0.790 80 S HN 0.383 nan 8.310 nan 0.000 0.504 81 T N 0.788 115.328 114.554 -0.025 0.000 3.238 81 T HA 0.370 4.719 4.350 -0.001 0.000 0.242 81 T C -0.574 174.101 174.700 -0.042 0.000 0.980 81 T CA 0.018 62.100 62.100 -0.029 0.000 1.235 81 T CB 0.129 68.979 68.868 -0.030 0.000 1.069 81 T HN 0.162 nan 8.240 nan 0.000 0.407 82 L N 3.026 124.212 121.223 -0.062 0.000 2.504 82 L HA 0.417 4.756 4.340 -0.001 0.000 0.265 82 L C -0.069 176.738 176.870 -0.106 0.000 0.975 82 L CA -0.486 54.297 54.840 -0.094 0.000 0.864 82 L CB 1.527 43.505 42.059 -0.135 0.000 1.212 82 L HN 0.088 nan 8.230 nan 0.000 0.416 83 D N 3.308 123.674 120.400 -0.058 0.000 2.137 83 D HA -0.066 4.573 4.640 -0.001 0.000 0.202 83 D C -0.131 176.139 176.300 -0.050 0.000 0.970 83 D CA 1.126 55.122 54.000 -0.007 0.000 0.837 83 D CB 0.015 40.841 40.800 0.042 0.000 0.981 83 D HN 0.404 nan 8.370 nan 0.000 0.475 84 Y N -0.030 120.139 120.300 -0.219 0.000 2.333 84 Y HA 0.346 4.896 4.550 -0.001 0.000 0.319 84 Y C -1.394 174.401 175.900 -0.175 0.000 1.200 84 Y CA -1.138 56.791 58.100 -0.285 0.000 1.084 84 Y CB 1.393 39.752 38.460 -0.169 0.000 1.268 84 Y HN 0.010 nan 8.280 nan 0.000 0.422 85 S N 6.869 122.067 115.700 -0.838 0.000 2.593 85 S HA 0.729 5.198 4.470 -0.001 0.000 0.297 85 S C -2.953 171.197 174.600 -0.751 0.000 1.112 85 S CA -1.761 56.119 58.200 -0.533 0.000 1.043 85 S CB 1.407 64.467 63.200 -0.233 0.000 1.054 85 S HN 0.432 nan 8.310 nan 0.000 0.516 86 P HA 0.110 nan 4.420 nan 0.000 0.258 86 P C 0.844 178.048 177.300 -0.159 0.000 1.172 86 P CA 0.336 63.323 63.100 -0.187 0.000 0.762 86 P CB -0.014 31.605 31.700 -0.135 0.000 0.764 87 G N 2.486 111.156 108.800 -0.218 0.000 2.572 87 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.216 87 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.216 87 G C -0.113 174.890 174.900 0.171 0.000 1.133 87 G CA 0.268 45.289 45.100 -0.132 0.000 0.791 87 G HN 0.347 nan 8.290 nan 0.000 0.538 88 F N -0.229 119.789 119.950 0.114 0.000 2.482 88 F HA 0.485 5.011 4.527 -0.001 0.000 0.331 88 F C 0.852 176.736 175.800 0.140 0.000 1.115 88 F CA -1.989 56.069 58.000 0.097 0.000 0.955 88 F CB 1.688 40.735 39.000 0.077 0.000 1.136 88 F HN 0.023 nan 8.300 nan 0.000 0.452 89 Q N 0.156 120.090 119.800 0.224 0.000 2.342 89 Q HA -0.264 4.076 4.340 -0.001 0.000 0.196 89 Q C -1.293 174.466 176.000 -0.401 0.000 0.629 89 Q CA 1.278 57.056 55.803 -0.043 0.000 1.365 89 Q CB -2.017 26.688 28.738 -0.054 0.000 1.406 89 Q HN 0.784 nan 8.270 nan 0.000 0.840 90 Y N -1.243 119.119 120.300 0.103 0.000 2.609 90 Y HA 0.763 5.313 4.550 -0.001 0.000 0.342 90 Y C 0.871 176.817 175.900 0.076 0.000 1.058 90 Y CA -0.321 57.823 58.100 0.074 0.000 1.055 90 Y CB 2.226 40.707 38.460 0.035 0.000 1.292 90 Y HN 0.018 nan 8.280 nan 0.000 0.476 91 G N -0.331 108.622 108.800 0.256 0.000 2.694 91 G HA2 0.599 4.559 3.960 -0.001 0.000 0.290 91 G HA3 0.599 4.559 3.960 -0.001 0.000 0.290 91 G C -2.120 172.886 174.900 0.176 0.000 1.386 91 G CA -0.810 44.399 45.100 0.182 0.000 0.872 91 G HN 0.800 nan 8.290 nan 0.000 0.475 92 H N -1.609 117.552 119.070 0.152 0.000 2.797 92 H HA 0.694 5.250 4.556 -0.001 0.000 0.372 92 H C -2.328 173.129 175.328 0.215 0.000 1.168 92 H CA -2.236 53.878 56.048 0.110 0.000 1.163 92 H CB 1.595 31.345 29.762 -0.020 0.000 1.778 92 H HN 0.175 nan 8.280 nan 0.000 0.551 93 P HA -0.084 nan 4.420 nan 0.000 0.220 93 P C 1.216 178.679 177.300 0.272 0.000 1.148 93 P CA 0.972 64.248 63.100 0.294 0.000 0.803 93 P CB 0.335 32.141 31.700 0.177 0.000 0.782 94 L N -0.538 120.879 121.223 0.324 0.000 2.217 94 L HA -0.109 4.231 4.340 -0.001 0.000 0.211 94 L C 2.493 179.394 176.870 0.052 0.000 1.107 94 L CA 1.710 56.671 54.840 0.201 0.000 0.783 94 L CB -1.008 41.166 42.059 0.192 0.000 0.919 94 L HN 0.141 nan 8.230 nan 0.000 0.442 95 S N 0.101 115.685 115.700 -0.194 0.000 2.368 95 S HA -0.148 4.321 4.470 -0.001 0.000 0.224 95 S C 1.832 176.268 174.600 -0.273 0.000 1.029 95 S CA 0.865 58.803 58.200 -0.436 0.000 0.988 95 S CB -0.742 61.957 63.200 -0.835 0.000 0.838 95 S HN 0.282 nan 8.310 nan 0.000 0.462 96 F N 2.262 122.208 119.950 -0.007 0.000 2.186 96 F HA 0.071 4.598 4.527 -0.001 0.000 0.299 96 F C 2.942 178.779 175.800 0.062 0.000 1.090 96 F CA 1.076 59.102 58.000 0.044 0.000 1.307 96 F CB -0.808 38.199 39.000 0.013 0.000 1.019 96 F HN 0.212 nan 8.300 nan 0.000 0.489 97 Q N -0.182 119.747 119.800 0.215 0.000 2.050 97 Q HA -0.198 4.142 4.340 -0.001 0.000 0.202 97 Q C 2.240 178.317 176.000 0.130 0.000 0.980 97 Q CA 1.518 57.410 55.803 0.148 0.000 0.840 97 Q CB -0.506 28.303 28.738 0.119 0.000 0.898 97 Q HN 0.354 nan 8.270 nan 0.000 0.424 98 L N 0.541 121.838 121.223 0.123 0.000 2.093 98 L HA -0.064 4.276 4.340 -0.001 0.000 0.208 98 L C 2.113 179.123 176.870 0.233 0.000 1.085 98 L CA 1.933 56.865 54.840 0.154 0.000 0.755 98 L CB -0.792 41.339 42.059 0.120 0.000 0.904 98 L HN 0.129 nan 8.230 nan 0.000 0.435 99 A N -0.771 122.212 122.820 0.271 0.000 1.902 99 A HA -0.275 4.044 4.320 -0.001 0.000 0.217 99 A C 2.333 179.982 177.584 0.108 0.000 1.181 99 A CA 1.844 53.998 52.037 0.195 0.000 0.623 99 A CB -0.724 18.368 19.000 0.154 0.000 0.818 99 A HN 0.623 nan 8.150 nan 0.000 0.443 100 E N -0.116 120.153 120.200 0.115 0.000 2.051 100 E HA -0.209 4.141 4.350 -0.001 0.000 0.192 100 E C 1.933 178.583 176.600 0.083 0.000 0.991 100 E CA 1.286 57.733 56.400 0.079 0.000 0.799 100 E CB -0.104 29.648 29.700 0.087 0.000 0.748 100 E HN 0.509 nan 8.360 nan 0.000 0.449 101 K N 0.241 120.705 120.400 0.108 0.000 2.103 101 K HA -0.147 4.173 4.320 -0.001 0.000 0.207 101 K C 2.246 178.940 176.600 0.157 0.000 1.048 101 K CA 1.224 57.581 56.287 0.116 0.000 0.930 101 K CB -0.181 32.386 32.500 0.111 0.000 0.716 101 K HN 0.307 nan 8.250 nan 0.000 0.444 102 I N 1.086 121.768 120.570 0.186 0.000 2.202 102 I HA -0.238 3.932 4.170 -0.001 0.000 0.242 102 I C 2.468 178.692 176.117 0.178 0.000 1.091 102 I CA 1.601 63.060 61.300 0.264 0.000 1.368 102 I CB -0.538 37.626 38.000 0.274 0.000 1.058 102 I HN 0.261 nan 8.210 nan 0.000 0.410 103 T N -2.914 111.683 114.554 0.072 0.000 3.035 103 T HA -0.091 4.258 4.350 -0.001 0.000 0.268 103 T C 1.354 176.062 174.700 0.013 0.000 1.109 103 T CA 0.791 62.886 62.100 -0.009 0.000 1.119 103 T CB -0.346 68.462 68.868 -0.100 0.000 0.900 103 T HN 0.168 nan 8.240 nan 0.000 0.503 104 D N 1.204 121.637 120.400 0.055 0.000 2.264 104 D HA 0.081 4.721 4.640 -0.001 0.000 0.208 104 D C 1.739 178.091 176.300 0.087 0.000 0.966 104 D CA 0.621 54.655 54.000 0.057 0.000 0.864 104 D CB -0.032 40.807 40.800 0.065 0.000 0.933 104 D HN 0.439 nan 8.370 nan 0.000 0.499 105 L N -0.033 121.279 121.223 0.148 0.000 2.515 105 L HA 0.095 4.435 4.340 -0.001 0.000 0.223 105 L C 1.016 178.058 176.870 0.287 0.000 1.079 105 L CA 0.142 55.118 54.840 0.226 0.000 0.857 105 L CB -0.037 42.211 42.059 0.315 0.000 1.050 105 L HN -0.056 nan 8.230 nan 0.000 0.476 106 T N -1.203 113.429 114.554 0.131 0.000 2.899 106 T HA 0.336 4.686 4.350 -0.001 0.000 0.295 106 T C -2.276 172.385 174.700 -0.065 0.000 1.033 106 T CA -1.521 60.522 62.100 -0.095 0.000 1.084 106 T CB 0.786 69.494 68.868 -0.267 0.000 0.979 106 T HN -0.116 nan 8.240 nan 0.000 0.532 107 P HA 0.433 nan 4.420 nan 0.000 0.274 107 P C 1.067 178.310 177.300 -0.095 0.000 1.237 107 P CA 0.398 63.460 63.100 -0.063 0.000 0.793 107 P CB 0.123 31.793 31.700 -0.051 0.000 0.977 108 G N 2.586 111.345 108.800 -0.068 0.000 2.582 108 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.288 108 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.288 108 G C 0.199 175.049 174.900 -0.084 0.000 1.247 108 G CA 0.510 45.565 45.100 -0.075 0.000 0.972 108 G HN 0.660 nan 8.290 nan 0.000 0.557 109 N N 0.498 119.143 118.700 -0.092 0.000 2.376 109 N HA 0.385 5.125 4.740 -0.001 0.000 0.249 109 N C 0.186 175.627 175.510 -0.116 0.000 1.140 109 N CA -0.248 52.750 53.050 -0.088 0.000 0.870 109 N CB 0.277 38.732 38.487 -0.053 0.000 1.124 109 N HN 0.383 nan 8.380 nan 0.000 0.505 110 L N 0.992 122.124 121.223 -0.151 0.000 2.415 110 L HA 0.155 4.494 4.340 -0.001 0.000 0.269 110 L C 0.402 177.143 176.870 -0.215 0.000 1.244 110 L CA 0.233 54.965 54.840 -0.179 0.000 1.113 110 L CB -0.314 41.612 42.059 -0.221 0.000 1.352 110 L HN 0.323 nan 8.230 nan 0.000 0.433 111 N N -0.074 118.449 118.700 -0.295 0.000 2.170 111 N HA 0.152 4.891 4.740 -0.001 0.000 0.222 111 N C -0.564 174.390 175.510 -0.926 0.000 1.218 111 N CA -0.255 52.459 53.050 -0.560 0.000 0.889 111 N CB 0.641 38.746 38.487 -0.637 0.000 1.083 111 N HN 0.447 nan 8.380 nan 0.000 0.520 112 H N 0.391 119.327 119.070 -0.222 0.000 2.934 112 H HA 0.285 4.840 4.556 -0.001 0.000 0.340 112 H C -1.086 174.134 175.328 -0.179 0.000 1.008 112 H CA -0.468 55.416 56.048 -0.274 0.000 1.317 112 H CB 1.903 31.393 29.762 -0.452 0.000 1.670 112 H HN -0.227 nan 8.280 nan 0.000 0.516 113 V N 4.452 124.300 119.914 -0.109 0.000 2.370 113 V HA 0.186 4.306 4.120 -0.001 0.000 0.283 113 V C -0.416 175.534 176.094 -0.239 0.000 1.023 113 V CA -0.667 61.480 62.300 -0.255 0.000 0.857 113 V CB 1.450 32.978 31.823 -0.493 0.000 0.985 113 V HN 0.519 nan 8.190 nan 0.000 0.443 114 F N 5.919 125.723 119.950 -0.243 0.000 2.361 114 F HA 0.671 5.197 4.527 -0.001 0.000 0.364 114 F C -0.441 175.328 175.800 -0.052 0.000 1.117 114 F CA -1.078 56.891 58.000 -0.052 0.000 1.071 114 F CB 0.721 39.779 39.000 0.095 0.000 1.188 114 F HN 0.347 nan 8.300 nan 0.000 0.464 115 F N 3.261 123.170 119.950 -0.067 0.000 2.375 115 F HA 0.509 5.035 4.527 -0.001 0.000 0.333 115 F C 0.864 176.804 175.800 0.234 0.000 1.104 115 F CA -0.035 58.017 58.000 0.088 0.000 1.149 115 F CB 1.419 40.422 39.000 0.004 0.000 1.190 115 F HN 0.534 nan 8.300 nan 0.000 0.533 116 T N -2.816 111.987 114.554 0.415 0.000 2.669 116 T HA 0.338 4.688 4.350 -0.001 0.000 0.283 116 T C 0.035 174.788 174.700 0.088 0.000 1.019 116 T CA -0.784 61.435 62.100 0.198 0.000 1.039 116 T CB 1.632 70.565 68.868 0.108 0.000 1.374 116 T HN 0.464 nan 8.240 nan 0.000 0.523 117 D N 0.441 120.775 120.400 -0.110 0.000 2.367 117 D HA 0.214 4.853 4.640 -0.001 0.000 0.207 117 D C 0.733 177.035 176.300 0.003 0.000 1.034 117 D CA 0.526 54.514 54.000 -0.019 0.000 0.861 117 D CB 0.519 41.298 40.800 -0.035 0.000 0.943 117 D HN 0.721 nan 8.370 nan 0.000 0.515 118 S N -2.082 113.618 115.700 0.000 0.000 2.615 118 S HA 0.422 4.891 4.470 -0.001 0.000 0.268 118 S C 1.008 175.650 174.600 0.070 0.000 1.146 118 S CA -0.376 57.847 58.200 0.038 0.000 0.818 118 S CB 1.245 64.455 63.200 0.016 0.000 1.111 118 S HN -0.061 nan 8.310 nan 0.000 0.465 119 G N 1.203 110.062 108.800 0.098 0.000 2.422 119 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.218 119 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.218 119 G C 1.265 176.219 174.900 0.090 0.000 1.146 119 G CA 1.193 46.363 45.100 0.116 0.000 0.769 119 G HN 0.771 nan 8.290 nan 0.000 0.547 120 S N 0.420 116.156 115.700 0.059 0.000 2.368 120 S HA -0.074 4.395 4.470 -0.001 0.000 0.225 120 S C 2.124 176.753 174.600 0.048 0.000 1.030 120 S CA 1.245 59.463 58.200 0.030 0.000 0.999 120 S CB -0.192 63.016 63.200 0.013 0.000 0.844 120 S HN 0.575 nan 8.310 nan 0.000 0.459 121 E N 0.076 120.295 120.200 0.033 0.000 2.204 121 E HA -0.111 4.238 4.350 -0.001 0.000 0.194 121 E C 2.061 178.760 176.600 0.164 0.000 0.989 121 E CA 0.802 57.235 56.400 0.054 0.000 0.824 121 E CB -0.231 29.324 29.700 -0.241 0.000 0.756 121 E HN 0.489 nan 8.360 nan 0.000 0.477 122 C N 0.690 120.075 119.300 0.141 0.000 2.425 122 C HA -0.113 4.346 4.460 -0.001 0.000 0.277 122 C C 2.877 177.968 174.990 0.169 0.000 1.280 122 C CA 0.824 59.947 59.018 0.175 0.000 1.744 122 C CB -0.934 26.904 27.740 0.162 0.000 1.989 122 C HN 0.523 nan 8.230 nan 0.000 0.491 123 A N 0.762 123.663 122.820 0.135 0.000 1.858 123 A HA -0.112 4.208 4.320 -0.001 0.000 0.216 123 A C 1.963 179.588 177.584 0.068 0.000 1.190 123 A CA 1.720 53.812 52.037 0.092 0.000 0.617 123 A CB -0.608 18.391 19.000 -0.001 0.000 0.827 123 A HN 0.530 nan 8.150 nan 0.000 0.443 124 L N -0.568 120.708 121.223 0.088 0.000 2.093 124 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 124 L C 2.676 179.610 176.870 0.106 0.000 1.085 124 L CA 1.959 56.858 54.840 0.099 0.000 0.755 124 L CB -1.071 41.079 42.059 0.153 0.000 0.904 124 L HN 0.297 nan 8.230 nan 0.000 0.435 125 T N -0.198 114.458 114.554 0.170 0.000 2.708 125 T HA -0.196 4.154 4.350 -0.001 0.000 0.266 125 T C 2.070 176.741 174.700 -0.047 0.000 1.037 125 T CA 1.469 63.579 62.100 0.016 0.000 1.146 125 T CB -0.359 68.654 68.868 0.242 0.000 0.865 125 T HN 0.436 nan 8.240 nan 0.000 0.435 126 A N 0.869 123.724 122.820 0.060 0.000 1.902 126 A HA -0.033 4.286 4.320 -0.001 0.000 0.217 126 A C 2.587 180.254 177.584 0.138 0.000 1.181 126 A CA 1.262 53.340 52.037 0.069 0.000 0.623 126 A CB -1.022 18.086 19.000 0.179 0.000 0.818 126 A HN 0.343 nan 8.150 nan 0.000 0.443 127 V N 0.191 120.216 119.914 0.184 0.000 2.287 127 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 127 V C 2.496 178.641 176.094 0.085 0.000 1.053 127 V CA 2.508 64.895 62.300 0.144 0.000 1.027 127 V CB -0.665 31.162 31.823 0.005 0.000 0.646 127 V HN 0.564 nan 8.190 nan 0.000 0.447 128 K N -0.754 119.666 120.400 0.033 0.000 2.057 128 K HA -0.146 4.174 4.320 -0.001 0.000 0.206 128 K C 2.206 178.865 176.600 0.098 0.000 1.050 128 K CA 1.703 58.024 56.287 0.058 0.000 0.935 128 K CB -0.250 32.236 32.500 -0.024 0.000 0.715 128 K HN 0.395 nan 8.250 nan 0.000 0.439 129 M N 0.783 120.344 119.600 -0.065 0.000 2.117 129 M HA -0.181 4.298 4.480 -0.001 0.000 0.262 129 M C 1.913 178.184 176.300 -0.048 0.000 1.065 129 M CA 1.535 56.627 55.300 -0.347 0.000 1.114 129 M CB 0.079 32.299 32.600 -0.634 0.000 1.361 129 M HN -0.048 nan 8.290 nan 0.000 0.408 130 V N 0.191 120.098 119.914 -0.012 0.000 2.358 130 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 130 V C 2.419 178.624 176.094 0.184 0.000 1.047 130 V CA 2.127 64.455 62.300 0.047 0.000 1.035 130 V CB -0.873 31.004 31.823 0.090 0.000 0.658 130 V HN 0.535 nan 8.190 nan 0.000 0.452 131 R N 0.282 120.893 120.500 0.185 0.000 2.073 131 R HA -0.164 4.175 4.340 -0.001 0.000 0.234 131 R C 2.264 178.661 176.300 0.161 0.000 1.134 131 R CA 1.790 58.007 56.100 0.195 0.000 0.952 131 R CB -0.463 29.917 30.300 0.134 0.000 0.850 131 R HN 0.479 nan 8.270 nan 0.000 0.433 132 A N -0.156 122.758 122.820 0.156 0.000 1.930 132 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 132 A C 1.976 179.495 177.584 -0.109 0.000 1.175 132 A CA 1.219 53.314 52.037 0.096 0.000 0.627 132 A CB -0.833 18.339 19.000 0.287 0.000 0.815 132 A HN 0.632 nan 8.150 nan 0.000 0.443 133 Y N -0.864 119.319 120.300 -0.194 0.000 2.097 133 Y HA -0.293 4.257 4.550 -0.001 0.000 0.282 133 Y C 2.108 177.802 175.900 -0.343 0.000 1.152 133 Y CA 1.995 59.836 58.100 -0.432 0.000 1.136 133 Y CB -0.643 37.575 38.460 -0.404 0.000 0.975 133 Y HN 0.446 nan 8.280 nan 0.000 0.498 134 W N 0.556 121.731 121.300 -0.209 0.000 2.402 134 W HA -0.103 4.557 4.660 -0.001 0.000 0.286 134 W C 2.817 179.172 176.519 -0.275 0.000 1.221 134 W CA 1.175 58.340 57.345 -0.299 0.000 1.257 134 W CB -0.246 29.166 29.460 -0.079 0.000 1.120 134 W HN -0.031 nan 8.180 nan 0.000 0.551 135 R N 0.825 121.330 120.500 0.007 0.000 2.081 135 R HA -0.166 4.174 4.340 -0.001 0.000 0.235 135 R C 1.922 178.132 176.300 -0.151 0.000 1.131 135 R CA 1.519 57.587 56.100 -0.052 0.000 0.960 135 R CB -0.685 29.593 30.300 -0.037 0.000 0.856 135 R HN 0.240 nan 8.270 nan 0.000 0.436 136 L N 0.750 121.804 121.223 -0.282 0.000 2.201 136 L HA -0.111 4.228 4.340 -0.001 0.000 0.212 136 L C 2.012 178.695 176.870 -0.311 0.000 1.105 136 L CA 0.953 55.591 54.840 -0.336 0.000 0.775 136 L CB -0.255 41.494 42.059 -0.517 0.000 0.913 136 L HN 0.090 nan 8.230 nan 0.000 0.440 137 K N 0.389 120.570 120.400 -0.365 0.000 2.525 137 K HA 0.076 4.395 4.320 -0.001 0.000 0.192 137 K C 1.296 177.827 176.600 -0.117 0.000 1.029 137 K CA 0.832 56.956 56.287 -0.271 0.000 1.029 137 K CB -0.020 32.277 32.500 -0.338 0.000 0.814 137 K HN 0.393 nan 8.250 nan 0.000 0.503 138 G N 1.871 110.612 108.800 -0.098 0.000 2.143 138 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.248 138 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.248 138 G C 0.034 174.913 174.900 -0.036 0.000 0.991 138 G CA 0.054 45.117 45.100 -0.061 0.000 0.689 138 G HN 0.447 nan 8.290 nan 0.000 0.522 139 Q N -0.677 119.119 119.800 -0.006 0.000 2.462 139 Q HA 0.605 4.944 4.340 -0.001 0.000 0.395 139 Q C 1.544 177.531 176.000 -0.021 0.000 0.911 139 Q CA 0.146 55.934 55.803 -0.026 0.000 1.112 139 Q CB 0.962 29.678 28.738 -0.037 0.000 1.350 139 Q HN 0.584 nan 8.270 nan 0.000 0.407 140 A N 0.276 123.085 122.820 -0.018 0.000 2.248 140 A HA -0.111 4.209 4.320 -0.001 0.000 0.210 140 A C 2.083 179.650 177.584 -0.028 0.000 1.174 140 A CA 1.404 53.438 52.037 -0.005 0.000 0.750 140 A CB -0.400 18.593 19.000 -0.013 0.000 0.780 140 A HN 0.540 nan 8.150 nan 0.000 0.478 141 T N -1.858 112.657 114.554 -0.064 0.000 2.962 141 T HA -0.031 4.318 4.350 -0.001 0.000 0.270 141 T C 0.849 175.484 174.700 -0.108 0.000 1.088 141 T CA 0.849 62.901 62.100 -0.079 0.000 1.127 141 T CB -0.370 68.443 68.868 -0.091 0.000 0.883 141 T HN 0.434 nan 8.240 nan 0.000 0.493 142 K N 2.608 122.911 120.400 -0.161 0.000 2.171 142 K HA 0.235 4.554 4.320 -0.001 0.000 0.274 142 K C 0.945 177.503 176.600 -0.071 0.000 1.110 142 K CA 0.161 56.302 56.287 -0.242 0.000 0.952 142 K CB 0.479 32.576 32.500 -0.671 0.000 1.309 142 K HN 0.499 nan 8.250 nan 0.000 0.414 143 T N -1.348 113.176 114.554 -0.050 0.000 2.954 143 T HA 0.062 4.411 4.350 -0.001 0.000 0.252 143 T C 0.593 175.285 174.700 -0.012 0.000 0.983 143 T CA -0.291 61.809 62.100 0.000 0.000 0.941 143 T CB 0.258 69.119 68.868 -0.012 0.000 1.141 143 T HN 0.211 nan 8.240 nan 0.000 0.500 144 K N 1.833 122.199 120.400 -0.057 0.000 2.322 144 K HA 0.338 4.658 4.320 -0.001 0.000 0.283 144 K C -0.406 176.176 176.600 -0.030 0.000 1.042 144 K CA -0.348 55.885 56.287 -0.089 0.000 0.958 144 K CB 0.391 32.781 32.500 -0.184 0.000 0.984 144 K HN 0.138 nan 8.250 nan 0.000 0.473 145 M N 5.391 124.967 119.600 -0.041 0.000 2.205 145 M HA 0.342 4.822 4.480 -0.001 0.000 0.344 145 M C -0.536 175.729 176.300 -0.059 0.000 1.085 145 M CA -0.784 54.523 55.300 0.011 0.000 1.001 145 M CB 1.190 33.750 32.600 -0.067 0.000 1.626 145 M HN 0.387 nan 8.290 nan 0.000 0.442 146 I N 2.588 123.180 120.570 0.036 0.000 2.339 146 I HA 0.515 4.684 4.170 -0.001 0.000 0.290 146 I C 0.807 176.936 176.117 0.021 0.000 0.994 146 I CA -0.130 61.157 61.300 -0.022 0.000 1.191 146 I CB 0.775 38.795 38.000 0.035 0.000 1.343 146 I HN 0.754 nan 8.210 nan 0.000 0.458 147 G N 6.291 115.005 108.800 -0.142 0.000 2.940 147 G HA2 0.678 4.638 3.960 -0.001 0.000 0.164 147 G HA3 0.678 4.638 3.960 -0.001 0.000 0.164 147 G C -0.636 174.369 174.900 0.174 0.000 1.326 147 G CA -0.525 44.595 45.100 0.035 0.000 1.020 147 G HN 0.525 nan 8.290 nan 0.000 0.586 148 R N -1.440 119.269 120.500 0.349 0.000 2.604 148 R HA 0.549 4.889 4.340 -0.001 0.000 0.270 148 R C -0.364 176.125 176.300 0.315 0.000 1.052 148 R CA -0.560 55.731 56.100 0.319 0.000 0.902 148 R CB 1.695 32.146 30.300 0.252 0.000 1.233 148 R HN 0.815 nan 8.270 nan 0.000 0.455 149 A N 2.656 125.615 122.820 0.232 0.000 2.565 149 A HA 0.110 4.429 4.320 -0.001 0.000 0.237 149 A C 0.280 177.964 177.584 0.168 0.000 1.053 149 A CA 0.703 52.834 52.037 0.157 0.000 0.755 149 A CB -0.033 19.073 19.000 0.176 0.000 0.980 149 A HN 1.046 nan 8.150 nan 0.000 0.506 150 R N -0.004 120.556 120.500 0.099 0.000 3.946 150 R HA -0.201 4.139 4.340 -0.001 0.000 0.329 150 R C 0.744 177.072 176.300 0.048 0.000 1.209 150 R CA 0.764 56.889 56.100 0.041 0.000 0.909 150 R CB -2.330 27.936 30.300 -0.055 0.000 1.355 150 R HN 1.199 nan 8.270 nan 0.000 0.539 151 G N -0.138 108.714 108.800 0.087 0.000 2.507 151 G HA2 0.361 4.320 3.960 -0.001 0.000 0.271 151 G HA3 0.361 4.320 3.960 -0.001 0.000 0.271 151 G C -1.190 173.696 174.900 -0.023 0.000 1.189 151 G CA -0.239 44.872 45.100 0.019 0.000 0.859 151 G HN 0.185 nan 8.290 nan 0.000 0.542 152 Y N 0.565 120.625 120.300 -0.400 0.000 2.354 152 Y HA 0.448 4.997 4.550 -0.002 0.000 0.330 152 Y C -0.144 175.412 175.900 -0.574 0.000 1.011 152 Y CA -0.969 56.930 58.100 -0.335 0.000 1.099 152 Y CB 1.654 40.005 38.460 -0.182 0.000 1.179 152 Y HN 0.595 nan 8.280 nan 0.000 0.442 153 H N 4.333 123.122 119.070 -0.468 0.000 2.637 153 H HA 0.392 4.947 4.556 -0.001 0.000 0.245 153 H C 0.857 175.908 175.328 -0.462 0.000 1.190 153 H CA 0.153 56.015 56.048 -0.310 0.000 0.934 153 H CB 0.556 30.236 29.762 -0.137 0.000 1.950 153 H HN 0.970 nan 8.280 nan 0.000 0.614 154 G N 0.819 109.033 108.800 -0.977 0.000 2.584 154 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.229 154 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.229 154 G C 0.566 175.258 174.900 -0.347 0.000 1.320 154 G CA 0.538 45.303 45.100 -0.559 0.000 0.891 154 G HN 0.565 nan 8.290 nan 0.000 0.573 155 V N -2.863 116.986 119.914 -0.109 0.000 3.382 155 V HA 0.418 4.537 4.120 -0.001 0.000 0.296 155 V C 0.707 176.734 176.094 -0.111 0.000 1.529 155 V CA 0.527 62.783 62.300 -0.074 0.000 1.048 155 V CB 0.133 31.957 31.823 0.002 0.000 0.878 155 V HN 0.674 nan 8.190 nan 0.000 0.442 156 N N 1.071 119.726 118.700 -0.076 0.000 2.294 156 N HA 0.323 5.062 4.740 -0.001 0.000 0.248 156 N C 1.335 176.797 175.510 -0.080 0.000 1.300 156 N CA -0.169 52.842 53.050 -0.066 0.000 0.925 156 N CB 0.613 39.094 38.487 -0.009 0.000 1.188 156 N HN 0.061 nan 8.380 nan 0.000 0.512 157 I N 0.531 121.064 120.570 -0.062 0.000 2.286 157 I HA -0.201 3.968 4.170 -0.001 0.000 0.248 157 I C 2.170 178.254 176.117 -0.055 0.000 1.115 157 I CA 1.055 62.319 61.300 -0.060 0.000 1.392 157 I CB -1.684 36.293 38.000 -0.039 0.000 1.065 157 I HN 0.522 nan 8.210 nan 0.000 0.418 158 A N 0.882 123.669 122.820 -0.055 0.000 1.873 158 A HA -0.078 4.241 4.320 -0.001 0.000 0.215 158 A C 2.518 180.029 177.584 -0.121 0.000 1.186 158 A CA 1.817 53.795 52.037 -0.097 0.000 0.616 158 A CB -1.339 17.597 19.000 -0.107 0.000 0.823 158 A HN 0.407 nan 8.150 nan 0.000 0.442 159 G N -1.225 107.519 108.800 -0.094 0.000 2.422 159 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.218 159 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.218 159 G C 1.539 176.406 174.900 -0.056 0.000 1.146 159 G CA 1.623 46.675 45.100 -0.080 0.000 0.769 159 G HN 0.430 nan 8.290 nan 0.000 0.547 160 T N 1.189 115.709 114.554 -0.057 0.000 2.720 160 T HA -0.112 4.238 4.350 -0.001 0.000 0.268 160 T C 2.818 177.550 174.700 0.054 0.000 1.037 160 T CA 1.663 63.757 62.100 -0.009 0.000 1.144 160 T CB -0.206 68.625 68.868 -0.060 0.000 0.864 160 T HN 0.284 nan 8.240 nan 0.000 0.444 161 S N 0.947 116.664 115.700 0.030 0.000 2.395 161 S HA 0.182 4.652 4.470 -0.001 0.000 0.225 161 S C 1.996 176.674 174.600 0.129 0.000 1.027 161 S CA 0.526 58.769 58.200 0.072 0.000 0.965 161 S CB -0.250 62.957 63.200 0.011 0.000 0.812 161 S HN 0.328 nan 8.310 nan 0.000 0.482 162 L N 1.163 122.399 121.223 0.022 0.000 2.179 162 L HA 0.112 4.451 4.340 -0.001 0.000 0.208 162 L C 1.670 178.708 176.870 0.280 0.000 1.096 162 L CA 0.212 55.050 54.840 -0.004 0.000 0.779 162 L CB -0.841 41.049 42.059 -0.282 0.000 0.922 162 L HN 0.287 nan 8.230 nan 0.000 0.443 163 G N -1.133 107.825 108.800 0.264 0.000 2.651 163 G HA2 0.344 4.303 3.960 -0.001 0.000 0.260 163 G HA3 0.344 4.303 3.960 -0.001 0.000 0.260 163 G C 0.544 175.572 174.900 0.214 0.000 1.216 163 G CA 0.240 45.476 45.100 0.226 0.000 0.913 163 G HN 0.270 nan 8.290 nan 0.000 0.535 164 G N -1.587 107.295 108.800 0.136 0.000 4.385 164 G HA2 0.371 4.330 3.960 -0.001 0.000 0.283 164 G HA3 0.371 4.330 3.960 -0.001 0.000 0.283 164 G C -0.316 174.608 174.900 0.039 0.000 1.020 164 G CA -0.073 45.047 45.100 0.032 0.000 0.790 164 G HN 0.623 nan 8.290 nan 0.000 0.420 165 V N 1.397 121.362 119.914 0.084 0.000 2.461 165 V HA 0.127 4.247 4.120 -0.001 0.000 0.275 165 V C 1.619 177.758 176.094 0.075 0.000 1.047 165 V CA -0.170 62.173 62.300 0.072 0.000 0.955 165 V CB 1.275 33.152 31.823 0.090 0.000 0.988 165 V HN 0.408 nan 8.190 nan 0.000 0.471 166 N N 4.848 123.576 118.700 0.047 0.000 2.037 166 N HA -0.176 4.564 4.740 -0.001 0.000 0.196 166 N C 1.848 177.397 175.510 0.064 0.000 1.034 166 N CA 2.156 55.231 53.050 0.042 0.000 0.861 166 N CB -0.221 38.281 38.487 0.026 0.000 1.039 166 N HN 0.824 nan 8.380 nan 0.000 0.427 167 G N -0.985 107.862 108.800 0.078 0.000 2.509 167 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.218 167 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.218 167 G C 1.248 176.252 174.900 0.172 0.000 1.124 167 G CA 0.405 45.564 45.100 0.098 0.000 0.776 167 G HN 0.328 nan 8.290 nan 0.000 0.547 168 N N 0.098 118.931 118.700 0.222 0.000 2.422 168 N HA 0.064 4.804 4.740 -0.001 0.000 0.181 168 N C 1.969 177.705 175.510 0.377 0.000 1.080 168 N CA 0.345 53.601 53.050 0.344 0.000 0.893 168 N CB 0.169 38.874 38.487 0.363 0.000 0.973 168 N HN 0.337 nan 8.380 nan 0.000 0.456 169 R N -0.255 120.388 120.500 0.238 0.000 2.394 169 R HA 0.205 4.544 4.340 -0.001 0.000 0.220 169 R C 1.801 178.156 176.300 0.092 0.000 0.887 169 R CA -0.065 56.168 56.100 0.223 0.000 1.034 169 R CB 0.436 30.816 30.300 0.133 0.000 1.179 169 R HN 0.036 nan 8.270 nan 0.000 0.561 170 K N 1.599 121.999 120.400 0.000 0.000 2.032 170 K HA -0.110 4.209 4.320 -0.001 0.000 0.209 170 K C 1.524 178.019 176.600 -0.176 0.000 1.048 170 K CA 1.396 57.642 56.287 -0.068 0.000 0.927 170 K CB -0.021 32.441 32.500 -0.062 0.000 0.712 170 K HN 0.135 nan 8.250 nan 0.000 0.441 171 L N -0.029 120.935 121.223 -0.433 0.000 2.478 171 L HA -0.018 4.322 4.340 -0.001 0.000 0.223 171 L C 1.145 177.672 176.870 -0.571 0.000 1.140 171 L CA 0.338 54.805 54.840 -0.622 0.000 0.842 171 L CB 0.043 41.513 42.059 -0.982 0.000 0.953 171 L HN 0.174 nan 8.230 nan 0.000 0.452 172 F N -1.174 118.789 119.950 0.021 0.000 2.752 172 F HA 0.403 4.932 4.527 0.003 0.000 0.310 172 F C 1.726 177.537 175.800 0.019 0.000 1.097 172 F CA 0.156 58.166 58.000 0.017 0.000 1.238 172 F CB -0.541 38.468 39.000 0.015 0.000 1.061 172 F HN 0.046 nan 8.300 nan 0.000 0.591 173 G N 1.008 109.900 108.800 0.154 0.000 2.564 173 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.273 173 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.273 173 G C -0.048 174.932 174.900 0.134 0.000 1.242 173 G CA 0.103 45.270 45.100 0.112 0.000 0.951 173 G HN 0.404 nan 8.290 nan 0.000 0.564 174 Q N 0.642 120.501 119.800 0.100 0.000 2.932 174 Q HA 0.521 4.861 4.340 -0.001 0.000 0.248 174 Q C -1.887 174.152 176.000 0.065 0.000 0.982 174 Q CA -1.316 54.542 55.803 0.091 0.000 0.730 174 Q CB 1.465 30.261 28.738 0.097 0.000 1.249 174 Q HN 0.292 nan 8.270 nan 0.000 0.476 175 P HA -0.067 nan 4.420 nan 0.000 0.229 175 P C -0.033 177.277 177.300 0.017 0.000 1.160 175 P CA 0.734 63.856 63.100 0.036 0.000 0.777 175 P CB 0.171 31.890 31.700 0.031 0.000 0.814 176 M N 0.352 119.956 119.600 0.008 0.000 2.077 176 M HA 0.192 4.671 4.480 -0.001 0.000 0.348 176 M C -0.292 176.004 176.300 -0.007 0.000 1.252 176 M CA -0.361 54.934 55.300 -0.008 0.000 1.096 176 M CB 0.552 33.133 32.600 -0.031 0.000 1.568 176 M HN -0.192 nan 8.290 nan 0.000 0.456 177 Q N 1.772 121.568 119.800 -0.006 0.000 2.222 177 Q HA 0.234 4.573 4.340 -0.001 0.000 0.211 177 Q C -0.195 175.785 176.000 -0.034 0.000 1.013 177 Q CA 0.106 55.902 55.803 -0.010 0.000 0.993 177 Q CB 0.610 29.347 28.738 -0.001 0.000 1.151 177 Q HN 0.742 nan 8.270 nan 0.000 0.544 178 D N -0.734 119.637 120.400 -0.049 0.000 2.737 178 D HA -0.126 4.513 4.640 -0.001 0.000 0.243 178 D C -1.799 174.436 176.300 -0.108 0.000 1.109 178 D CA 0.332 54.281 54.000 -0.084 0.000 0.702 178 D CB -0.725 40.037 40.800 -0.064 0.000 1.068 178 D HN 0.167 nan 8.370 nan 0.000 0.432 179 V N 0.455 120.302 119.914 -0.110 0.000 2.876 179 V HA 0.692 4.811 4.120 -0.001 0.000 0.312 179 V C 0.158 176.163 176.094 -0.148 0.000 1.085 179 V CA -0.755 61.452 62.300 -0.155 0.000 0.945 179 V CB 2.502 34.241 31.823 -0.141 0.000 1.017 179 V HN 0.150 nan 8.190 nan 0.000 0.428 180 D N 0.093 120.363 120.400 -0.217 0.000 2.652 180 D HA 0.587 5.226 4.640 -0.001 0.000 0.285 180 D C -1.613 174.505 176.300 -0.303 0.000 1.173 180 D CA -0.441 53.506 54.000 -0.089 0.000 0.981 180 D CB 2.271 43.112 40.800 0.068 0.000 1.440 180 D HN 0.693 nan 8.370 nan 0.000 0.485 181 H N -0.553 118.566 119.070 0.080 0.000 2.856 181 H HA 0.461 5.017 4.556 -0.000 0.000 0.355 181 H C -0.440 174.938 175.328 0.083 0.000 1.079 181 H CA -0.567 55.533 56.048 0.086 0.000 1.240 181 H CB 1.483 31.294 29.762 0.082 0.000 1.701 181 H HN 0.057 nan 8.280 nan 0.000 0.527 182 L N 4.216 125.553 121.223 0.191 0.000 2.464 182 L HA 0.260 4.600 4.340 -0.001 0.000 0.264 182 L C -1.820 175.132 176.870 0.136 0.000 1.199 182 L CA -1.721 53.208 54.840 0.149 0.000 0.818 182 L CB 0.381 42.535 42.059 0.159 0.000 1.102 182 L HN 0.453 nan 8.230 nan 0.000 0.473 183 P HA 0.105 nan 4.420 nan 0.000 0.274 183 P C -1.174 176.110 177.300 -0.026 0.000 1.237 183 P CA -0.307 62.773 63.100 -0.034 0.000 0.793 183 P CB 0.432 32.070 31.700 -0.104 0.000 0.977 184 H N -1.703 117.381 119.070 0.023 0.000 2.581 184 H HA 0.325 4.880 4.556 -0.001 0.000 0.369 184 H C 0.915 176.192 175.328 -0.086 0.000 1.351 184 H CA -0.184 55.849 56.048 -0.025 0.000 1.434 184 H CB -0.608 29.139 29.762 -0.026 0.000 1.558 184 H HN 0.365 nan 8.280 nan 0.000 0.608 185 T N -0.946 113.642 114.554 0.057 0.000 3.145 185 T HA 0.160 4.510 4.350 -0.001 0.000 0.255 185 T C 0.226 174.932 174.700 0.010 0.000 1.039 185 T CA -0.532 61.493 62.100 -0.125 0.000 0.928 185 T CB -0.363 68.246 68.868 -0.432 0.000 1.029 185 T HN 0.329 nan 8.240 nan 0.000 0.554 186 L N 2.443 123.825 121.223 0.265 0.000 2.315 186 L HA 0.552 4.891 4.340 -0.001 0.000 0.283 186 L C -0.882 176.060 176.870 0.121 0.000 1.089 186 L CA -0.660 54.258 54.840 0.131 0.000 0.833 186 L CB 0.300 42.377 42.059 0.029 0.000 1.170 186 L HN 0.276 nan 8.230 nan 0.000 0.442 187 L N 5.531 126.777 121.223 0.038 0.000 2.341 187 L HA 0.534 4.873 4.340 -0.001 0.000 0.278 187 L C 1.280 178.158 176.870 0.014 0.000 1.005 187 L CA -0.499 54.356 54.840 0.026 0.000 0.818 187 L CB 1.751 43.815 42.059 0.008 0.000 1.259 187 L HN 0.757 nan 8.230 nan 0.000 0.418 188 A N 1.577 124.408 122.820 0.018 0.000 1.978 188 A HA -0.181 4.139 4.320 -0.001 0.000 0.220 188 A C 2.234 179.826 177.584 0.014 0.000 1.170 188 A CA 2.082 54.124 52.037 0.009 0.000 0.636 188 A CB -0.508 18.503 19.000 0.018 0.000 0.810 188 A HN 0.869 nan 8.150 nan 0.000 0.448 189 S N -0.094 115.618 115.700 0.020 0.000 2.474 189 S HA -0.084 4.385 4.470 -0.001 0.000 0.235 189 S C 1.125 175.744 174.600 0.031 0.000 0.997 189 S CA 1.148 59.364 58.200 0.028 0.000 0.949 189 S CB -0.418 62.797 63.200 0.024 0.000 0.766 189 S HN 0.532 nan 8.310 nan 0.000 0.517 190 N N 2.061 120.773 118.700 0.020 0.000 2.268 190 N HA 0.397 5.136 4.740 -0.001 0.000 0.204 190 N C 0.201 175.720 175.510 0.015 0.000 1.124 190 N CA 0.427 53.491 53.050 0.023 0.000 0.838 190 N CB 0.325 38.820 38.487 0.014 0.000 0.994 190 N HN 0.584 nan 8.380 nan 0.000 0.489 191 A N 0.106 122.923 122.820 -0.005 0.000 2.531 191 A HA 0.075 4.395 4.320 -0.001 0.000 0.236 191 A C -0.132 177.467 177.584 0.025 0.000 1.062 191 A CA 0.204 52.174 52.037 -0.111 0.000 0.760 191 A CB -0.402 18.513 19.000 -0.142 0.000 0.995 191 A HN 0.454 nan 8.150 nan 0.000 0.501 192 Y N 0.200 120.547 120.300 0.078 0.000 4.177 192 Y HA -0.212 4.337 4.550 -0.001 0.000 0.227 192 Y C 0.953 176.918 175.900 0.108 0.000 1.154 192 Y CA 0.641 58.816 58.100 0.125 0.000 1.887 192 Y CB -2.574 35.937 38.460 0.084 0.000 1.594 192 Y HN 0.564 nan 8.280 nan 0.000 0.668 193 S N 0.747 116.547 115.700 0.167 0.000 2.564 193 S HA 0.411 4.880 4.470 -0.001 0.000 0.278 193 S C 0.672 175.322 174.600 0.084 0.000 1.333 193 S CA -0.768 57.492 58.200 0.100 0.000 1.048 193 S CB 0.703 63.953 63.200 0.083 0.000 0.900 193 S HN 0.225 nan 8.310 nan 0.000 0.505 194 R N 1.920 122.378 120.500 -0.070 0.000 2.229 194 R HA 0.534 4.873 4.340 -0.001 0.000 0.328 194 R C 1.117 177.445 176.300 0.047 0.000 1.009 194 R CA 0.263 56.274 56.100 -0.148 0.000 0.864 194 R CB 0.864 30.963 30.300 -0.335 0.000 1.085 194 R HN 0.948 nan 8.270 nan 0.000 0.453 195 G N 3.052 111.951 108.800 0.165 0.000 2.539 195 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.256 195 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.256 195 G C -0.060 175.041 174.900 0.335 0.000 1.233 195 G CA -0.504 44.781 45.100 0.308 0.000 0.936 195 G HN 0.535 nan 8.290 nan 0.000 0.571 196 M N 2.604 122.423 119.600 0.365 0.000 2.246 196 M HA 0.234 4.713 4.480 -0.001 0.000 0.350 196 M C -1.755 174.626 176.300 0.136 0.000 1.406 196 M CA -1.028 54.404 55.300 0.220 0.000 1.089 196 M CB 0.596 33.328 32.600 0.221 0.000 1.782 196 M HN 0.309 nan 8.290 nan 0.000 0.457 197 P HA 0.051 nan 4.420 nan 0.000 0.269 197 P C -0.344 176.991 177.300 0.058 0.000 1.215 197 P CA 0.075 63.211 63.100 0.061 0.000 0.780 197 P CB 0.576 32.295 31.700 0.032 0.000 0.898 198 K N 0.244 120.674 120.400 0.051 0.000 2.211 198 K HA 0.059 4.378 4.320 -0.001 0.000 0.201 198 K C 0.461 177.087 176.600 0.044 0.000 1.052 198 K CA 0.827 57.144 56.287 0.050 0.000 0.973 198 K CB 0.275 32.800 32.500 0.043 0.000 0.766 198 K HN 0.514 nan 8.250 nan 0.000 0.466 199 E N -0.135 120.087 120.200 0.036 0.000 2.191 199 E HA 0.249 4.599 4.350 -0.001 0.000 0.274 199 E C 0.356 176.973 176.600 0.028 0.000 0.948 199 E CA -0.197 56.222 56.400 0.032 0.000 0.802 199 E CB 1.765 31.481 29.700 0.028 0.000 1.137 199 E HN 0.341 nan 8.360 nan 0.000 0.397 200 G N 2.034 110.855 108.800 0.034 0.000 2.176 200 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.232 200 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.232 200 G C 1.005 175.940 174.900 0.059 0.000 0.986 200 G CA 0.340 45.460 45.100 0.034 0.000 0.643 200 G HN 0.659 nan 8.290 nan 0.000 0.522 201 G N 0.763 109.611 108.800 0.080 0.000 2.433 201 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.216 201 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.216 201 G C 1.776 176.791 174.900 0.191 0.000 1.186 201 G CA 1.407 46.603 45.100 0.160 0.000 0.779 201 G HN 0.619 nan 8.290 nan 0.000 0.543 202 I N 1.356 121.989 120.570 0.105 0.000 2.252 202 I HA -0.139 4.031 4.170 -0.001 0.000 0.245 202 I C 3.300 179.458 176.117 0.068 0.000 1.102 202 I CA 0.929 62.271 61.300 0.070 0.000 1.385 202 I CB -0.214 37.813 38.000 0.044 0.000 1.064 202 I HN 0.244 nan 8.210 nan 0.000 0.414 203 A N 0.863 123.722 122.820 0.066 0.000 1.902 203 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 203 A C 2.290 179.918 177.584 0.073 0.000 1.181 203 A CA 1.471 53.539 52.037 0.052 0.000 0.623 203 A CB -0.851 18.171 19.000 0.037 0.000 0.818 203 A HN 0.387 nan 8.150 nan 0.000 0.443 204 L N -1.002 120.295 121.223 0.123 0.000 2.093 204 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 204 L C 3.022 180.050 176.870 0.264 0.000 1.085 204 L CA 0.955 55.901 54.840 0.177 0.000 0.755 204 L CB -0.386 41.770 42.059 0.163 0.000 0.904 204 L HN 0.442 nan 8.230 nan 0.000 0.435 205 A N -0.665 122.278 122.820 0.205 0.000 1.929 205 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 205 A C 1.831 179.400 177.584 -0.025 0.000 1.176 205 A CA 1.469 53.471 52.037 -0.058 0.000 0.628 205 A CB -0.366 18.466 19.000 -0.281 0.000 0.816 205 A HN 0.284 nan 8.150 nan 0.000 0.444 206 D N 0.134 120.538 120.400 0.008 0.000 2.350 206 D HA -0.083 4.557 4.640 -0.001 0.000 0.216 206 D C 1.581 177.881 176.300 -0.001 0.000 0.968 206 D CA 0.492 54.492 54.000 -0.001 0.000 0.894 206 D CB -0.145 40.660 40.800 0.008 0.000 0.909 206 D HN 0.409 nan 8.370 nan 0.000 0.520 207 E N 0.279 120.489 120.200 0.018 0.000 2.209 207 E HA -0.168 4.181 4.350 -0.001 0.000 0.196 207 E C 2.039 178.639 176.600 0.000 0.000 0.993 207 E CA 0.182 56.590 56.400 0.014 0.000 0.819 207 E CB -0.153 29.568 29.700 0.034 0.000 0.745 207 E HN 0.287 nan 8.360 nan 0.000 0.477 208 L N 0.782 122.000 121.223 -0.008 0.000 2.127 208 L HA -0.147 4.193 4.340 -0.001 0.000 0.211 208 L C 2.123 178.951 176.870 -0.071 0.000 1.089 208 L CA 1.270 56.094 54.840 -0.028 0.000 0.757 208 L CB -0.456 41.580 42.059 -0.038 0.000 0.899 208 L HN 0.074 nan 8.230 nan 0.000 0.434 209 L N -0.900 120.276 121.223 -0.079 0.000 2.131 209 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 209 L C 2.496 179.308 176.870 -0.096 0.000 1.092 209 L CA 1.344 56.115 54.840 -0.115 0.000 0.759 209 L CB -0.613 41.404 42.059 -0.069 0.000 0.903 209 L HN 0.271 nan 8.230 nan 0.000 0.435 210 K N 0.138 120.500 120.400 -0.064 0.000 2.097 210 K HA -0.104 4.216 4.320 -0.001 0.000 0.205 210 K C 2.075 178.623 176.600 -0.087 0.000 1.050 210 K CA 1.035 57.284 56.287 -0.064 0.000 0.938 210 K CB -0.132 32.342 32.500 -0.043 0.000 0.718 210 K HN 0.274 nan 8.250 nan 0.000 0.442 211 L N 0.745 121.930 121.223 -0.062 0.000 2.156 211 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 211 L C 2.309 179.146 176.870 -0.055 0.000 1.095 211 L CA 0.889 55.702 54.840 -0.045 0.000 0.770 211 L CB -0.395 41.698 42.059 0.057 0.000 0.914 211 L HN 0.150 nan 8.230 nan 0.000 0.439 212 I N -0.051 120.464 120.570 -0.090 0.000 2.226 212 I HA -0.298 3.871 4.170 -0.001 0.000 0.245 212 I C 2.666 178.718 176.117 -0.109 0.000 1.100 212 I CA 1.360 62.584 61.300 -0.126 0.000 1.374 212 I CB -0.240 37.584 38.000 -0.292 0.000 1.057 212 I HN 0.341 nan 8.210 nan 0.000 0.413 213 E N 1.054 121.185 120.200 -0.114 0.000 2.051 213 E HA -0.279 4.071 4.350 -0.001 0.000 0.192 213 E C 2.251 178.781 176.600 -0.117 0.000 0.991 213 E CA 1.356 57.700 56.400 -0.094 0.000 0.799 213 E CB -0.031 29.621 29.700 -0.080 0.000 0.748 213 E HN 0.299 nan 8.360 nan 0.000 0.449 214 L N 0.678 121.783 121.223 -0.195 0.000 2.046 214 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 214 L C 1.975 178.650 176.870 -0.325 0.000 1.077 214 L CA 1.894 56.541 54.840 -0.321 0.000 0.747 214 L CB -0.320 41.426 42.059 -0.521 0.000 0.896 214 L HN 0.257 nan 8.230 nan 0.000 0.432 215 H N -1.598 117.449 119.070 -0.039 0.000 2.729 215 H HA 0.252 4.807 4.556 -0.001 0.000 0.263 215 H C -0.091 175.208 175.328 -0.049 0.000 0.961 215 H CA 0.325 56.349 56.048 -0.040 0.000 1.217 215 H CB 0.139 29.876 29.762 -0.042 0.000 1.447 215 H HN 0.341 nan 8.280 nan 0.000 0.496 216 D N -1.290 119.134 120.400 0.039 0.000 10.628 216 D HA -0.123 4.516 4.640 -0.001 0.000 0.320 216 D C 0.989 177.280 176.300 -0.015 0.000 3.082 216 D CA 0.610 54.609 54.000 -0.002 0.000 2.740 216 D CB -0.017 40.778 40.800 -0.008 0.000 1.188 216 D HN 0.248 nan 8.370 nan 0.000 0.922 217 A N 2.625 125.425 122.820 -0.032 0.000 1.978 217 A HA -0.114 4.205 4.320 -0.001 0.000 0.220 217 A C 2.252 179.774 177.584 -0.103 0.000 1.170 217 A CA 2.393 54.401 52.037 -0.048 0.000 0.636 217 A CB -0.660 18.358 19.000 0.031 0.000 0.810 217 A HN 1.097 nan 8.150 nan 0.000 0.448 218 S N 0.002 115.645 115.700 -0.095 0.000 2.469 218 S HA -0.098 4.371 4.470 -0.001 0.000 0.238 218 S C 1.203 175.708 174.600 -0.159 0.000 0.998 218 S CA 1.212 59.326 58.200 -0.143 0.000 0.957 218 S CB -0.408 62.732 63.200 -0.099 0.000 0.764 218 S HN 0.597 nan 8.310 nan 0.000 0.514 219 N N 0.640 119.273 118.700 -0.113 0.000 2.236 219 N HA 0.365 5.104 4.740 -0.001 0.000 0.196 219 N C -0.366 175.072 175.510 -0.120 0.000 1.114 219 N CA 0.117 53.106 53.050 -0.102 0.000 0.859 219 N CB 0.491 38.948 38.487 -0.050 0.000 0.982 219 N HN 0.480 nan 8.380 nan 0.000 0.493 220 I N 0.461 120.949 120.570 -0.137 0.000 2.354 220 I HA 0.282 4.451 4.170 -0.001 0.000 0.292 220 I C 0.991 177.015 176.117 -0.156 0.000 0.989 220 I CA -0.475 60.760 61.300 -0.108 0.000 1.188 220 I CB 2.007 39.972 38.000 -0.059 0.000 1.342 220 I HN -0.114 nan 8.210 nan 0.000 0.457 221 A N 5.105 127.901 122.820 -0.040 0.000 1.901 221 A HA 0.725 5.044 4.320 -0.001 0.000 0.210 221 A C 0.849 178.612 177.584 0.298 0.000 1.208 221 A CA 0.793 52.896 52.037 0.110 0.000 0.644 221 A CB 0.213 19.374 19.000 0.269 0.000 0.863 221 A HN 0.771 nan 8.150 nan 0.000 0.454 222 A N -1.673 121.262 122.820 0.192 0.000 2.605 222 A HA 0.569 4.889 4.320 -0.001 0.000 0.294 222 A C -1.469 176.196 177.584 0.135 0.000 1.062 222 A CA -0.327 51.794 52.037 0.140 0.000 0.682 222 A CB 0.815 19.866 19.000 0.085 0.000 1.278 222 A HN 0.495 nan 8.150 nan 0.000 0.410 223 V N 1.275 121.216 119.914 0.044 0.000 2.459 223 V HA 0.589 4.708 4.120 -0.001 0.000 0.295 223 V C -1.240 174.869 176.094 0.024 0.000 1.029 223 V CA -0.226 62.131 62.300 0.095 0.000 0.874 223 V CB 1.120 32.975 31.823 0.054 0.000 0.985 223 V HN 0.661 nan 8.190 nan 0.000 0.438 224 F N 4.758 124.701 119.950 -0.012 0.000 2.426 224 F HA 0.721 5.249 4.527 0.000 0.000 0.348 224 F C 0.083 175.936 175.800 0.088 0.000 1.124 224 F CA -0.665 57.309 58.000 -0.044 0.000 1.008 224 F CB 1.992 40.817 39.000 -0.291 0.000 1.139 224 F HN 0.368 nan 8.300 nan 0.000 0.452 225 V N -0.174 119.919 119.914 0.298 0.000 2.971 225 V HA 0.600 4.720 4.120 -0.001 0.000 0.309 225 V C -0.721 175.497 176.094 0.206 0.000 1.130 225 V CA -1.213 61.255 62.300 0.280 0.000 0.964 225 V CB 1.818 33.750 31.823 0.182 0.000 1.029 225 V HN 0.649 nan 8.190 nan 0.000 0.427 226 E N 4.070 124.353 120.200 0.139 0.000 2.289 226 E HA 0.302 4.652 4.350 -0.001 0.000 0.278 226 E C -1.933 174.523 176.600 -0.241 0.000 1.032 226 E CA -1.503 54.879 56.400 -0.031 0.000 0.854 226 E CB 1.577 31.248 29.700 -0.049 0.000 1.046 226 E HN 0.576 nan 8.360 nan 0.000 0.409 227 P HA -0.158 nan 4.420 nan 0.000 0.216 227 P C -0.347 176.624 177.300 -0.547 0.000 1.153 227 P CA 1.221 63.929 63.100 -0.653 0.000 0.858 227 P CB 0.085 31.487 31.700 -0.497 0.000 0.789 228 L N -5.005 116.053 121.223 -0.274 0.000 2.362 228 L HA 0.825 5.164 4.340 -0.001 0.000 0.271 228 L C -0.609 176.171 176.870 -0.150 0.000 1.002 228 L CA -1.715 53.002 54.840 -0.204 0.000 0.818 228 L CB 1.215 43.233 42.059 -0.070 0.000 1.298 228 L HN -0.306 nan 8.230 nan 0.000 0.420 229 A N 1.707 124.448 122.820 -0.131 0.000 2.310 229 A HA 0.616 4.935 4.320 -0.001 0.000 0.300 229 A C 0.938 178.448 177.584 -0.124 0.000 1.269 229 A CA 0.204 52.173 52.037 -0.112 0.000 0.909 229 A CB 0.048 18.998 19.000 -0.084 0.000 1.144 229 A HN 1.090 nan 8.150 nan 0.000 0.540 230 G N 1.496 110.186 108.800 -0.184 0.000 2.518 230 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.213 230 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.213 230 G C 1.814 176.618 174.900 -0.159 0.000 1.226 230 G CA 1.075 46.002 45.100 -0.288 0.000 0.822 230 G HN 1.063 nan 8.290 nan 0.000 0.546 231 S N 1.194 116.782 115.700 -0.187 0.000 2.419 231 S HA 0.141 4.611 4.470 -0.001 0.000 0.233 231 S C 2.388 176.901 174.600 -0.146 0.000 1.016 231 S CA 1.364 59.447 58.200 -0.194 0.000 0.974 231 S CB -0.316 62.566 63.200 -0.530 0.000 0.786 231 S HN 0.585 nan 8.310 nan 0.000 0.492 232 A N 1.105 123.858 122.820 -0.112 0.000 2.209 232 A HA 0.502 4.822 4.320 -0.001 0.000 0.212 232 A C 1.568 179.118 177.584 -0.058 0.000 1.158 232 A CA 0.604 52.592 52.037 -0.082 0.000 0.742 232 A CB -0.926 18.029 19.000 -0.076 0.000 0.790 232 A HN 1.566 nan 8.150 nan 0.000 0.472 233 G N -1.871 106.916 108.800 -0.022 0.000 2.245 233 G HA2 0.129 4.088 3.960 -0.001 0.000 0.116 233 G HA3 0.129 4.088 3.960 -0.001 0.000 0.116 233 G C 0.259 175.186 174.900 0.044 0.000 1.054 233 G CA -0.266 44.847 45.100 0.021 0.000 0.728 233 G HN 1.324 nan 8.290 nan 0.000 0.483 234 V N -0.694 119.248 119.914 0.046 0.000 6.125 234 V HA -0.234 3.886 4.120 -0.001 0.000 0.281 234 V C 0.818 176.930 176.094 0.031 0.000 0.591 234 V CA 1.487 63.828 62.300 0.068 0.000 0.617 234 V CB -1.353 30.584 31.823 0.190 0.000 0.336 234 V HN 0.756 nan 8.190 nan 0.000 0.650 235 L N 1.848 123.054 121.223 -0.029 0.000 2.295 235 L HA 0.456 4.795 4.340 -0.001 0.000 0.288 235 L C 0.217 177.037 176.870 -0.084 0.000 1.079 235 L CA -0.384 54.421 54.840 -0.058 0.000 0.830 235 L CB 1.133 43.139 42.059 -0.088 0.000 1.200 235 L HN 0.273 nan 8.230 nan 0.000 0.438 236 V N 5.408 125.291 119.914 -0.052 0.000 2.465 236 V HA 0.278 4.397 4.120 -0.001 0.000 0.279 236 V C -1.719 174.275 176.094 -0.167 0.000 1.045 236 V CA -1.547 60.707 62.300 -0.076 0.000 0.938 236 V CB 1.160 33.022 31.823 0.065 0.000 0.986 236 V HN 0.597 nan 8.190 nan 0.000 0.467 237 P HA 0.293 nan 4.420 nan 0.000 0.275 237 P C -2.782 174.416 177.300 -0.170 0.000 1.227 237 P CA -1.733 61.157 63.100 -0.349 0.000 0.781 237 P CB 0.388 31.840 31.700 -0.415 0.000 0.906 238 P HA 0.090 nan 4.420 nan 0.000 0.270 238 P C -0.084 177.248 177.300 0.054 0.000 1.223 238 P CA 0.015 63.108 63.100 -0.010 0.000 0.785 238 P CB 0.280 31.977 31.700 -0.005 0.000 0.923 239 E N 0.640 120.887 120.200 0.079 0.000 2.502 239 E HA 0.128 4.477 4.350 -0.001 0.000 0.261 239 E C 1.244 177.906 176.600 0.104 0.000 0.974 239 E CA 1.188 57.649 56.400 0.101 0.000 0.936 239 E CB -0.394 29.361 29.700 0.092 0.000 0.926 239 E HN 0.801 nan 8.360 nan 0.000 0.459 240 G N 2.411 111.276 108.800 0.109 0.000 2.253 240 G HA2 -0.410 3.550 3.960 -0.001 0.000 0.251 240 G HA3 -0.410 3.550 3.960 -0.001 0.000 0.251 240 G C 0.593 175.551 174.900 0.097 0.000 0.998 240 G CA 0.573 45.728 45.100 0.091 0.000 0.621 240 G HN 0.685 nan 8.290 nan 0.000 0.524 241 Y N 1.194 121.487 120.300 -0.012 0.000 2.114 241 Y HA 0.167 4.716 4.550 -0.001 0.000 0.284 241 Y C 2.682 178.569 175.900 -0.023 0.000 1.143 241 Y CA 2.381 60.464 58.100 -0.029 0.000 1.135 241 Y CB -0.365 38.057 38.460 -0.065 0.000 0.980 241 Y HN 0.278 nan 8.280 nan 0.000 0.499 242 L N 0.350 121.567 121.223 -0.010 0.000 2.109 242 L HA -0.174 4.166 4.340 -0.001 0.000 0.207 242 L C 2.587 179.439 176.870 -0.030 0.000 1.086 242 L CA 1.626 56.426 54.840 -0.067 0.000 0.760 242 L CB -0.538 41.537 42.059 0.026 0.000 0.910 242 L HN 0.180 nan 8.230 nan 0.000 0.437 243 K N 0.448 120.855 120.400 0.011 0.000 2.057 243 K HA -0.249 4.071 4.320 -0.001 0.000 0.207 243 K C 2.350 178.931 176.600 -0.031 0.000 1.049 243 K CA 1.363 57.657 56.287 0.013 0.000 0.931 243 K CB 0.054 32.577 32.500 0.038 0.000 0.714 243 K HN -0.028 nan 8.250 nan 0.000 0.440 244 R N 1.213 121.675 120.500 -0.063 0.000 2.075 244 R HA -0.069 4.271 4.340 -0.001 0.000 0.232 244 R C 1.871 178.102 176.300 -0.115 0.000 1.126 244 R CA 1.706 57.761 56.100 -0.075 0.000 0.963 244 R CB -0.708 29.550 30.300 -0.069 0.000 0.858 244 R HN 0.247 nan 8.270 nan 0.000 0.435 245 N N 0.393 118.964 118.700 -0.215 0.000 2.069 245 N HA -0.197 4.542 4.740 -0.001 0.000 0.191 245 N C 1.647 177.104 175.510 -0.088 0.000 1.031 245 N CA 1.585 54.518 53.050 -0.196 0.000 0.852 245 N CB -0.279 38.035 38.487 -0.289 0.000 1.018 245 N HN 0.143 nan 8.380 nan 0.000 0.423 246 R N 1.393 121.853 120.500 -0.067 0.000 2.091 246 R HA -0.089 4.250 4.340 -0.001 0.000 0.238 246 R C 2.005 178.284 176.300 -0.035 0.000 1.136 246 R CA 1.826 57.895 56.100 -0.053 0.000 0.959 246 R CB -0.563 29.709 30.300 -0.047 0.000 0.856 246 R HN 0.423 nan 8.270 nan 0.000 0.437 247 E N -0.227 119.957 120.200 -0.027 0.000 2.077 247 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 247 E C 1.929 178.536 176.600 0.013 0.000 0.989 247 E CA 1.648 58.041 56.400 -0.011 0.000 0.800 247 E CB -0.141 29.553 29.700 -0.010 0.000 0.746 247 E HN 0.475 nan 8.360 nan 0.000 0.452 248 I N 0.557 121.141 120.570 0.023 0.000 2.226 248 I HA -0.332 3.837 4.170 -0.001 0.000 0.245 248 I C 2.558 178.754 176.117 0.133 0.000 1.100 248 I CA 0.675 62.035 61.300 0.099 0.000 1.374 248 I CB -0.280 37.747 38.000 0.045 0.000 1.057 248 I HN 0.348 nan 8.210 nan 0.000 0.413 249 C N 0.767 120.099 119.300 0.052 0.000 2.429 249 C HA -0.141 4.318 4.460 -0.001 0.000 0.277 249 C C 2.656 177.681 174.990 0.058 0.000 1.262 249 C CA 0.893 59.943 59.018 0.053 0.000 1.733 249 C CB -1.426 26.318 27.740 0.007 0.000 2.010 249 C HN 0.548 nan 8.230 nan 0.000 0.483 250 N N 0.748 119.462 118.700 0.023 0.000 2.069 250 N HA -0.145 4.594 4.740 -0.001 0.000 0.191 250 N C 1.788 177.291 175.510 -0.011 0.000 1.031 250 N CA 1.322 54.376 53.050 0.007 0.000 0.852 250 N CB -0.578 37.901 38.487 -0.013 0.000 1.018 250 N HN 0.642 nan 8.380 nan 0.000 0.423 251 Q N -0.579 119.199 119.800 -0.037 0.000 2.167 251 Q HA -0.054 4.286 4.340 -0.001 0.000 0.202 251 Q C 0.612 176.415 176.000 -0.329 0.000 0.970 251 Q CA 0.914 56.610 55.803 -0.179 0.000 0.855 251 Q CB 0.030 28.637 28.738 -0.218 0.000 0.911 251 Q HN 0.615 nan 8.270 nan 0.000 0.438 252 H N -0.722 118.338 119.070 -0.016 0.000 2.592 252 H HA 0.166 4.721 4.556 -0.001 0.000 0.279 252 H C -0.127 175.178 175.328 -0.039 0.000 1.089 252 H CA -0.180 55.850 56.048 -0.030 0.000 1.150 252 H CB 0.506 30.247 29.762 -0.034 0.000 1.575 252 H HN 0.260 nan 8.280 nan 0.000 0.547 253 N N 1.208 119.947 118.700 0.065 0.000 2.746 253 N HA -0.167 4.573 4.740 -0.001 0.000 0.250 253 N C -0.809 174.758 175.510 0.095 0.000 1.055 253 N CA 0.397 53.499 53.050 0.088 0.000 0.699 253 N CB -1.073 37.422 38.487 0.013 0.000 0.919 253 N HN 0.374 nan 8.380 nan 0.000 0.548 254 I N 1.292 121.948 120.570 0.144 0.000 2.509 254 I HA 0.350 4.519 4.170 -0.001 0.000 0.293 254 I C 0.684 176.914 176.117 0.189 0.000 1.020 254 I CA -0.741 60.654 61.300 0.158 0.000 1.088 254 I CB 1.767 39.810 38.000 0.071 0.000 1.267 254 I HN -0.081 nan 8.210 nan 0.000 0.430 255 L N 5.516 126.888 121.223 0.249 0.000 2.417 255 L HA 0.304 4.643 4.340 -0.001 0.000 0.268 255 L C -0.491 176.338 176.870 -0.070 0.000 1.158 255 L CA -0.491 54.381 54.840 0.053 0.000 0.819 255 L CB 0.873 42.922 42.059 -0.017 0.000 1.112 255 L HN 0.381 nan 8.230 nan 0.000 0.458 256 L N 3.555 124.680 121.223 -0.164 0.000 2.305 256 L HA 0.485 4.825 4.340 -0.001 0.000 0.284 256 L C -0.607 176.067 176.870 -0.327 0.000 1.013 256 L CA -0.171 54.541 54.840 -0.212 0.000 0.819 256 L CB 1.634 43.565 42.059 -0.213 0.000 1.227 256 L HN 0.213 nan 8.230 nan 0.000 0.417 257 V N 5.866 125.565 119.914 -0.358 0.000 2.370 257 V HA 0.426 4.546 4.120 -0.001 0.000 0.283 257 V C -0.460 175.618 176.094 -0.026 0.000 1.023 257 V CA -0.473 61.582 62.300 -0.409 0.000 0.857 257 V CB 1.164 32.398 31.823 -0.982 0.000 0.985 257 V HN 0.456 nan 8.190 nan 0.000 0.443 258 F N 2.844 122.692 119.950 -0.170 0.000 2.405 258 F HA 0.369 4.895 4.527 -0.001 0.000 0.355 258 F C 0.515 176.313 175.800 -0.004 0.000 1.121 258 F CA -1.560 56.404 58.000 -0.061 0.000 1.112 258 F CB 1.230 40.200 39.000 -0.051 0.000 1.126 258 F HN 0.490 nan 8.300 nan 0.000 0.481 259 D N 3.799 124.347 120.400 0.246 0.000 2.411 259 D HA 0.065 4.705 4.640 -0.001 0.000 0.225 259 D C 0.243 176.637 176.300 0.156 0.000 1.156 259 D CA 0.159 54.299 54.000 0.234 0.000 0.874 259 D CB 0.415 41.451 40.800 0.393 0.000 1.034 259 D HN 0.542 nan 8.370 nan 0.000 0.502 260 E N 2.910 123.205 120.200 0.157 0.000 2.423 260 E HA 0.048 4.398 4.350 -0.001 0.000 0.198 260 E C 1.504 178.203 176.600 0.165 0.000 1.038 260 E CA -0.139 56.350 56.400 0.149 0.000 1.011 260 E CB 0.964 30.776 29.700 0.187 0.000 1.118 260 E HN 0.342 nan 8.360 nan 0.000 0.451 261 V N 0.564 120.569 119.914 0.151 0.000 2.407 261 V HA -0.247 3.873 4.120 -0.001 0.000 0.248 261 V C 2.003 178.174 176.094 0.127 0.000 1.055 261 V CA 1.575 63.972 62.300 0.161 0.000 1.049 261 V CB -0.204 31.711 31.823 0.154 0.000 0.662 261 V HN 0.381 nan 8.190 nan 0.000 0.455 262 I N 0.099 120.685 120.570 0.027 0.000 2.628 262 I HA -0.104 4.065 4.170 -0.001 0.000 0.255 262 I C 2.512 178.654 176.117 0.041 0.000 1.119 262 I CA 1.514 62.776 61.300 -0.062 0.000 1.448 262 I CB -0.324 37.426 38.000 -0.418 0.000 1.133 262 I HN 0.438 nan 8.210 nan 0.000 0.438 263 T N -1.219 113.367 114.554 0.054 0.000 3.055 263 T HA 0.085 4.435 4.350 -0.001 0.000 0.265 263 T C 1.185 175.958 174.700 0.123 0.000 1.111 263 T CA 0.183 62.342 62.100 0.098 0.000 1.118 263 T CB -0.757 68.178 68.868 0.111 0.000 0.909 263 T HN 0.261 nan 8.240 nan 0.000 0.501 264 G N 0.480 109.376 108.800 0.161 0.000 2.406 264 G HA2 0.414 4.373 3.960 -0.001 0.000 0.251 264 G HA3 0.414 4.373 3.960 -0.001 0.000 0.251 264 G C -0.331 174.585 174.900 0.026 0.000 1.271 264 G CA -0.767 44.370 45.100 0.062 0.000 0.859 264 G HN 0.335 nan 8.290 nan 0.000 0.540 265 F N -0.009 119.801 119.950 -0.234 0.000 3.023 265 F HA -0.187 4.339 4.527 -0.001 0.000 0.297 265 F C 1.601 177.373 175.800 -0.047 0.000 0.858 265 F CA 1.352 59.242 58.000 -0.182 0.000 1.222 265 F CB -1.419 37.583 39.000 0.002 0.000 1.263 265 F HN 1.477 nan 8.300 nan 0.000 0.565 266 G N -0.862 107.870 108.800 -0.113 0.000 2.380 266 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.197 266 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.197 266 G C 0.849 175.474 174.900 -0.459 0.000 1.001 266 G CA 0.151 45.040 45.100 -0.351 0.000 0.668 266 G HN 0.533 nan 8.290 nan 0.000 0.483 267 R N 1.030 121.450 120.500 -0.132 0.000 2.152 267 R HA -0.028 4.312 4.340 -0.001 0.000 0.232 267 R C 2.594 178.874 176.300 -0.034 0.000 1.117 267 R CA 2.334 58.427 56.100 -0.012 0.000 0.981 267 R CB -0.311 30.154 30.300 0.274 0.000 0.870 267 R HN 0.522 nan 8.270 nan 0.000 0.451 268 T N -3.993 110.551 114.554 -0.016 0.000 3.129 268 T HA 0.214 4.564 4.350 -0.001 0.000 0.251 268 T C 1.202 175.829 174.700 -0.121 0.000 1.117 268 T CA 0.453 62.579 62.100 0.043 0.000 1.034 268 T CB 0.712 69.694 68.868 0.191 0.000 0.968 268 T HN 0.386 nan 8.240 nan 0.000 0.526 269 G N 0.139 108.825 108.800 -0.190 0.000 2.176 269 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.232 269 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.232 269 G C 0.142 174.942 174.900 -0.168 0.000 0.986 269 G CA 0.026 45.000 45.100 -0.209 0.000 0.643 269 G HN 0.783 nan 8.290 nan 0.000 0.522 270 S N -1.099 114.514 115.700 -0.145 0.000 2.709 270 S HA 0.684 5.154 4.470 -0.001 0.000 0.302 270 S C 0.988 175.480 174.600 -0.179 0.000 1.127 270 S CA 0.066 58.194 58.200 -0.121 0.000 0.905 270 S CB 1.559 64.723 63.200 -0.061 0.000 1.151 270 S HN 0.273 nan 8.310 nan 0.000 0.510 271 M N 0.767 120.244 119.600 -0.205 0.000 2.080 271 M HA 0.194 4.673 4.480 -0.001 0.000 0.260 271 M C -0.780 175.054 176.300 -0.777 0.000 1.068 271 M CA 1.924 56.951 55.300 -0.455 0.000 1.109 271 M CB -0.366 31.971 32.600 -0.438 0.000 1.342 271 M HN 0.556 nan 8.290 nan 0.000 0.405 272 F N -2.070 117.823 119.950 -0.095 0.000 2.593 272 F HA 0.516 5.043 4.527 -0.001 0.000 0.320 272 F C 1.450 177.252 175.800 0.002 0.000 1.060 272 F CA -0.714 57.239 58.000 -0.078 0.000 0.940 272 F CB 0.665 39.616 39.000 -0.082 0.000 1.268 272 F HN -0.030 nan 8.300 nan 0.000 0.475 273 G N 0.533 109.495 108.800 0.269 0.000 2.442 273 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.219 273 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.219 273 G C 1.643 176.758 174.900 0.359 0.000 1.141 273 G CA 1.042 46.306 45.100 0.273 0.000 0.763 273 G HN 0.780 nan 8.290 nan 0.000 0.554 274 A N 1.063 124.120 122.820 0.395 0.000 1.948 274 A HA -0.117 4.202 4.320 -0.001 0.000 0.220 274 A C 2.095 179.835 177.584 0.260 0.000 1.177 274 A CA 2.187 54.464 52.037 0.400 0.000 0.636 274 A CB -0.349 18.801 19.000 0.250 0.000 0.815 274 A HN 0.345 nan 8.150 nan 0.000 0.449 275 D N -0.344 120.184 120.400 0.213 0.000 2.103 275 D HA -0.054 4.585 4.640 -0.001 0.000 0.199 275 D C 2.279 178.622 176.300 0.071 0.000 0.978 275 D CA 1.549 55.626 54.000 0.129 0.000 0.829 275 D CB -0.488 40.379 40.800 0.111 0.000 0.981 275 D HN 0.376 nan 8.370 nan 0.000 0.464 276 S N 0.253 115.956 115.700 0.004 0.000 2.382 276 S HA -0.099 4.370 4.470 -0.001 0.000 0.228 276 S C 1.547 176.026 174.600 -0.201 0.000 1.027 276 S CA 0.804 58.922 58.200 -0.136 0.000 0.991 276 S CB -0.209 62.842 63.200 -0.249 0.000 0.823 276 S HN 0.185 nan 8.310 nan 0.000 0.469 277 F N 0.631 120.638 119.950 0.094 0.000 2.749 277 F HA 0.333 4.860 4.527 -0.001 0.000 0.300 277 F C 1.769 177.619 175.800 0.084 0.000 1.103 277 F CA 0.014 58.043 58.000 0.048 0.000 1.342 277 F CB -0.401 38.585 39.000 -0.024 0.000 1.098 277 F HN 0.267 nan 8.300 nan 0.000 0.586 278 G N 1.255 110.192 108.800 0.228 0.000 2.225 278 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.264 278 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.264 278 G C -0.443 174.547 174.900 0.151 0.000 1.060 278 G CA 0.216 45.410 45.100 0.157 0.000 0.833 278 G HN 0.200 nan 8.290 nan 0.000 0.498 279 V N -0.147 119.889 119.914 0.203 0.000 2.686 279 V HA 0.663 4.783 4.120 -0.001 0.000 0.306 279 V C 0.201 176.319 176.094 0.039 0.000 1.065 279 V CA -0.490 61.895 62.300 0.142 0.000 0.894 279 V CB 2.226 34.200 31.823 0.251 0.000 1.004 279 V HN 0.300 nan 8.190 nan 0.000 0.424 280 T N 7.222 121.711 114.554 -0.108 0.000 2.749 280 T HA 0.480 4.829 4.350 -0.001 0.000 0.287 280 T C -2.385 172.070 174.700 -0.410 0.000 0.970 280 T CA -0.878 61.092 62.100 -0.218 0.000 0.980 280 T CB 1.662 70.445 68.868 -0.142 0.000 0.924 280 T HN 0.538 nan 8.240 nan 0.000 0.456 281 P HA 0.372 nan 4.420 nan 0.000 0.278 281 P C 0.045 177.093 177.300 -0.420 0.000 1.266 281 P CA -0.486 62.185 63.100 -0.715 0.000 0.807 281 P CB 1.341 32.419 31.700 -1.035 0.000 1.094 282 D N -0.537 119.643 120.400 -0.367 0.000 2.249 282 D HA 0.084 4.723 4.640 -0.001 0.000 0.205 282 D C 0.440 176.557 176.300 -0.305 0.000 0.962 282 D CA 1.236 55.053 54.000 -0.305 0.000 0.860 282 D CB 0.278 40.900 40.800 -0.297 0.000 0.955 282 D HN 0.203 nan 8.370 nan 0.000 0.505 283 L N -0.081 120.952 121.223 -0.317 0.000 2.434 283 L HA 0.433 4.772 4.340 -0.001 0.000 0.260 283 L C -0.705 176.029 176.870 -0.226 0.000 0.983 283 L CA -0.384 54.296 54.840 -0.267 0.000 0.820 283 L CB 3.146 45.037 42.059 -0.280 0.000 1.361 283 L HN -0.213 nan 8.230 nan 0.000 0.410 284 M N 1.568 121.069 119.600 -0.165 0.000 2.393 284 M HA 0.604 5.083 4.480 -0.001 0.000 0.299 284 M C -1.777 174.507 176.300 -0.027 0.000 1.103 284 M CA -0.274 54.970 55.300 -0.094 0.000 0.910 284 M CB 1.749 34.242 32.600 -0.177 0.000 1.659 284 M HN 0.715 nan 8.290 nan 0.000 0.445 285 C N 5.583 124.915 119.300 0.053 0.000 2.355 285 C HA 0.792 5.251 4.460 -0.001 0.000 0.332 285 C C -0.134 174.945 174.990 0.148 0.000 1.255 285 C CA -0.779 58.303 59.018 0.107 0.000 1.792 285 C CB -0.069 27.759 27.740 0.148 0.000 2.300 285 C HN 0.844 nan 8.230 nan 0.000 0.515 286 I N 0.613 121.294 120.570 0.186 0.000 2.828 286 I HA 1.018 5.187 4.170 -0.001 0.000 0.302 286 I C -0.219 176.059 176.117 0.269 0.000 1.101 286 I CA -0.414 61.054 61.300 0.279 0.000 1.031 286 I CB 1.961 40.218 38.000 0.429 0.000 1.231 286 I HN 0.717 nan 8.210 nan 0.000 0.427 287 A N 2.950 125.940 122.820 0.285 0.000 5.650 287 A HA 0.534 4.853 4.320 -0.001 0.000 0.194 287 A C 0.274 177.984 177.584 0.210 0.000 0.895 287 A CA -0.019 52.149 52.037 0.219 0.000 0.804 287 A CB -0.040 19.064 19.000 0.172 0.000 2.103 287 A HN 0.870 nan 8.150 nan 0.000 1.022 288 K N -1.860 118.635 120.400 0.158 0.000 3.138 288 K HA -0.406 3.913 4.320 -0.001 0.000 0.187 288 K C 1.631 178.295 176.600 0.107 0.000 0.767 288 K CA 2.318 58.690 56.287 0.142 0.000 0.521 288 K CB -1.103 31.507 32.500 0.184 0.000 0.757 288 K HN 0.686 nan 8.250 nan 0.000 0.792 289 Q N 1.382 121.275 119.800 0.155 0.000 2.368 289 Q HA -0.058 4.282 4.340 -0.001 0.000 0.210 289 Q C 1.699 177.661 176.000 -0.063 0.000 0.982 289 Q CA 1.650 57.510 55.803 0.094 0.000 0.884 289 Q CB -0.042 28.844 28.738 0.247 0.000 0.933 289 Q HN 0.427 nan 8.270 nan 0.000 0.460 290 V N 0.059 119.905 119.914 -0.114 0.000 2.469 290 V HA -0.209 3.911 4.120 -0.001 0.000 0.251 290 V C 1.486 177.439 176.094 -0.235 0.000 1.064 290 V CA 2.321 64.368 62.300 -0.421 0.000 1.066 290 V CB -0.391 31.313 31.823 -0.198 0.000 0.667 290 V HN 0.753 nan 8.190 nan 0.000 0.461 291 T N -3.825 110.666 114.554 -0.105 0.000 3.182 291 T HA 0.181 4.531 4.350 -0.001 0.000 0.277 291 T C 0.840 175.494 174.700 -0.077 0.000 1.013 291 T CA 0.387 62.438 62.100 -0.082 0.000 0.900 291 T CB -0.629 68.209 68.868 -0.050 0.000 1.098 291 T HN 0.574 nan 8.240 nan 0.000 0.543 292 N N 1.192 119.839 118.700 -0.088 0.000 2.693 292 N HA -0.271 4.468 4.740 -0.001 0.000 0.249 292 N C 1.133 176.588 175.510 -0.092 0.000 1.119 292 N CA 0.758 53.746 53.050 -0.104 0.000 0.717 292 N CB -1.382 37.037 38.487 -0.113 0.000 1.071 292 N HN 1.053 nan 8.380 nan 0.000 0.555 293 G N -1.729 107.040 108.800 -0.052 0.000 2.168 293 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.263 293 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.263 293 G C 0.917 175.797 174.900 -0.033 0.000 0.977 293 G CA 1.184 46.264 45.100 -0.033 0.000 0.659 293 G HN 0.949 nan 8.290 nan 0.000 0.533 294 A N -0.952 121.841 122.820 -0.044 0.000 1.970 294 A HA 0.574 4.894 4.320 -0.001 0.000 0.216 294 A C 0.997 178.549 177.584 -0.053 0.000 1.170 294 A CA 1.479 53.491 52.037 -0.042 0.000 0.645 294 A CB 0.168 19.142 19.000 -0.044 0.000 0.816 294 A HN 0.734 nan 8.150 nan 0.000 0.447 295 I N -0.964 119.570 120.570 -0.060 0.000 2.656 295 I HA 0.320 4.489 4.170 -0.001 0.000 0.292 295 I C -3.040 173.034 176.117 -0.072 0.000 1.144 295 I CA -2.646 58.600 61.300 -0.090 0.000 1.038 295 I CB 1.550 39.482 38.000 -0.113 0.000 1.244 295 I HN -0.137 nan 8.210 nan 0.000 0.420 296 P HA 0.315 nan 4.420 nan 0.000 0.262 296 P C -0.621 176.668 177.300 -0.018 0.000 1.199 296 P CA 0.173 63.248 63.100 -0.043 0.000 0.763 296 P CB 0.473 32.138 31.700 -0.058 0.000 0.790 297 M N 2.822 122.442 119.600 0.035 0.000 2.426 297 M HA 0.634 5.113 4.480 -0.001 0.000 0.289 297 M C -1.349 175.033 176.300 0.136 0.000 1.168 297 M CA -0.213 55.142 55.300 0.092 0.000 0.933 297 M CB 2.086 34.740 32.600 0.090 0.000 1.750 297 M HN 0.492 nan 8.290 nan 0.000 0.494 298 G N 1.872 110.783 108.800 0.185 0.000 2.798 298 G HA2 0.973 4.932 3.960 -0.001 0.000 0.286 298 G HA3 0.973 4.932 3.960 -0.001 0.000 0.286 298 G C -2.089 172.970 174.900 0.266 0.000 1.389 298 G CA -0.358 44.865 45.100 0.205 0.000 0.894 298 G HN 1.100 nan 8.290 nan 0.000 0.488 299 A N -1.199 121.747 122.820 0.210 0.000 2.604 299 A HA 0.685 5.005 4.320 -0.001 0.000 0.295 299 A C -1.553 176.100 177.584 0.114 0.000 1.067 299 A CA -0.427 51.688 52.037 0.129 0.000 0.683 299 A CB 1.589 20.541 19.000 -0.080 0.000 1.281 299 A HN 1.323 nan 8.150 nan 0.000 0.407 300 V N 2.174 122.158 119.914 0.116 0.000 2.398 300 V HA 0.438 4.558 4.120 -0.001 0.000 0.286 300 V C -0.352 175.736 176.094 -0.011 0.000 1.026 300 V CA -0.154 62.183 62.300 0.062 0.000 0.868 300 V CB 1.182 33.048 31.823 0.072 0.000 0.982 300 V HN 0.639 nan 8.190 nan 0.000 0.443 301 I N 4.426 124.957 120.570 -0.065 0.000 2.336 301 I HA 0.704 4.874 4.170 -0.001 0.000 0.292 301 I C 0.409 176.450 176.117 -0.126 0.000 0.991 301 I CA -0.222 61.012 61.300 -0.109 0.000 1.227 301 I CB 1.583 39.494 38.000 -0.149 0.000 1.366 301 I HN 0.670 nan 8.210 nan 0.000 0.466 302 A N 4.503 127.266 122.820 -0.096 0.000 2.337 302 A HA 0.712 5.031 4.320 -0.001 0.000 0.331 302 A C 0.127 177.675 177.584 -0.060 0.000 1.137 302 A CA -0.582 51.387 52.037 -0.113 0.000 0.807 302 A CB 1.206 20.139 19.000 -0.112 0.000 1.250 302 A HN 0.754 nan 8.150 nan 0.000 0.468 303 S N 0.849 116.481 115.700 -0.114 0.000 2.579 303 S HA 0.137 4.607 4.470 -0.001 0.000 0.275 303 S C 1.016 175.655 174.600 0.065 0.000 1.345 303 S CA 0.576 58.736 58.200 -0.066 0.000 1.031 303 S CB 0.432 63.544 63.200 -0.146 0.000 0.892 303 S HN 0.674 nan 8.310 nan 0.000 0.529 304 T N 1.267 115.899 114.554 0.131 0.000 2.759 304 T HA -0.145 4.204 4.350 -0.001 0.000 0.269 304 T C 1.721 176.469 174.700 0.081 0.000 1.042 304 T CA 1.944 64.163 62.100 0.198 0.000 1.140 304 T CB -0.601 68.391 68.868 0.206 0.000 0.864 304 T HN 0.896 nan 8.240 nan 0.000 0.455 305 E N 1.237 121.442 120.200 0.008 0.000 2.058 305 E HA -0.124 4.225 4.350 -0.001 0.000 0.194 305 E C 1.923 178.512 176.600 -0.018 0.000 0.997 305 E CA 1.364 57.756 56.400 -0.013 0.000 0.801 305 E CB -0.581 29.086 29.700 -0.055 0.000 0.746 305 E HN 0.571 nan 8.360 nan 0.000 0.450 306 I N -0.416 120.063 120.570 -0.152 0.000 2.202 306 I HA -0.212 3.957 4.170 -0.001 0.000 0.242 306 I C 2.244 178.415 176.117 0.091 0.000 1.091 306 I CA 1.335 62.516 61.300 -0.200 0.000 1.368 306 I CB -0.462 37.272 38.000 -0.444 0.000 1.058 306 I HN 0.193 nan 8.210 nan 0.000 0.410 307 Y N 1.797 122.017 120.300 -0.134 0.000 2.128 307 Y HA -0.324 4.225 4.550 -0.001 0.000 0.284 307 Y C 2.655 178.501 175.900 -0.089 0.000 1.154 307 Y CA 1.809 59.789 58.100 -0.200 0.000 1.149 307 Y CB -0.337 37.751 38.460 -0.620 0.000 0.976 307 Y HN 0.162 nan 8.280 nan 0.000 0.505 308 Q N -0.945 118.837 119.800 -0.031 0.000 2.170 308 Q HA -0.166 4.173 4.340 -0.001 0.000 0.203 308 Q C 2.121 178.069 176.000 -0.086 0.000 0.976 308 Q CA 1.919 57.674 55.803 -0.081 0.000 0.858 308 Q CB -0.222 28.528 28.738 0.021 0.000 0.907 308 Q HN 0.471 nan 8.270 nan 0.000 0.433 309 T N 0.519 115.059 114.554 -0.023 0.000 2.746 309 T HA -0.139 4.211 4.350 -0.001 0.000 0.267 309 T C 1.317 175.910 174.700 -0.178 0.000 1.039 309 T CA 1.158 63.205 62.100 -0.089 0.000 1.142 309 T CB -0.274 68.571 68.868 -0.038 0.000 0.866 309 T HN 0.193 nan 8.240 nan 0.000 0.444 310 F N 0.796 120.634 119.950 -0.186 0.000 2.234 310 F HA 0.047 4.574 4.527 -0.001 0.000 0.299 310 F C 2.256 177.920 175.800 -0.227 0.000 1.087 310 F CA 0.689 58.569 58.000 -0.199 0.000 1.340 310 F CB -0.326 38.537 39.000 -0.229 0.000 1.031 310 F HN 0.082 nan 8.300 nan 0.000 0.500 311 M N -0.931 118.578 119.600 -0.151 0.000 2.558 311 M HA -0.033 4.447 4.480 -0.001 0.000 0.255 311 M C 0.666 176.891 176.300 -0.126 0.000 1.113 311 M CA 1.087 56.268 55.300 -0.198 0.000 1.097 311 M CB -1.346 31.032 32.600 -0.369 0.000 1.426 311 M HN 0.186 nan 8.290 nan 0.000 0.488 312 N N -0.049 118.581 118.700 -0.116 0.000 2.235 312 N HA 0.077 4.817 4.740 -0.001 0.000 0.209 312 N C -0.124 175.326 175.510 -0.100 0.000 1.122 312 N CA -0.209 52.784 53.050 -0.096 0.000 0.845 312 N CB 0.546 38.980 38.487 -0.087 0.000 1.004 312 N HN 0.421 nan 8.380 nan 0.000 0.499 313 Q N 1.465 121.201 119.800 -0.108 0.000 2.349 313 Q HA 0.027 4.367 4.340 -0.001 0.000 0.287 313 Q C -1.661 174.284 176.000 -0.091 0.000 1.044 313 Q CA -0.927 54.811 55.803 -0.108 0.000 0.918 313 Q CB 0.580 29.259 28.738 -0.099 0.000 1.242 313 Q HN 0.189 nan 8.270 nan 0.000 0.405 314 P HA -0.012 nan 4.420 nan 0.000 0.253 314 P C -0.489 176.760 177.300 -0.085 0.000 1.508 314 P CA 0.156 63.210 63.100 -0.077 0.000 0.883 314 P CB -0.219 31.440 31.700 -0.068 0.000 1.519 315 T N -2.347 112.147 114.554 -0.100 0.000 2.927 315 T HA 0.550 4.900 4.350 -0.001 0.000 0.281 315 T C -2.488 172.099 174.700 -0.189 0.000 0.998 315 T CA -2.150 59.873 62.100 -0.128 0.000 1.019 315 T CB -0.073 68.726 68.868 -0.116 0.000 1.061 315 T HN -0.152 nan 8.240 nan 0.000 0.518 316 P HA 0.160 nan 4.420 nan 0.000 0.268 316 P C 0.807 177.823 177.300 -0.473 0.000 1.208 316 P CA -0.390 62.411 63.100 -0.497 0.000 0.777 316 P CB 0.389 31.452 31.700 -1.062 0.000 0.875 317 E N 1.129 121.137 120.200 -0.320 0.000 2.265 317 E HA -0.248 4.101 4.350 -0.001 0.000 0.196 317 E C 0.771 177.314 176.600 -0.095 0.000 0.996 317 E CA 1.203 57.516 56.400 -0.146 0.000 0.832 317 E CB -0.814 28.865 29.700 -0.035 0.000 0.756 317 E HN 0.659 nan 8.360 nan 0.000 0.491 318 Y N -0.395 119.904 120.300 -0.003 0.000 2.490 318 Y HA 0.523 5.072 4.550 -0.001 0.000 0.281 318 Y C 0.681 176.581 175.900 0.000 0.000 1.174 318 Y CA -0.583 57.515 58.100 -0.004 0.000 1.295 318 Y CB -0.214 38.244 38.460 -0.004 0.000 1.062 318 Y HN 0.078 nan 8.280 nan 0.000 0.522 319 A N 1.291 124.022 122.820 -0.149 0.000 2.328 319 A HA 0.523 4.843 4.320 -0.001 0.000 0.284 319 A C -0.160 177.418 177.584 -0.009 0.000 1.160 319 A CA -0.628 51.375 52.037 -0.056 0.000 0.818 319 A CB 0.219 19.138 19.000 -0.134 0.000 1.087 319 A HN 0.152 nan 8.150 nan 0.000 0.504 320 V N 3.487 123.414 119.914 0.022 0.000 2.540 320 V HA -0.022 4.097 4.120 -0.001 0.000 0.297 320 V C 1.079 177.209 176.094 0.060 0.000 1.024 320 V CA 0.727 63.045 62.300 0.030 0.000 1.105 320 V CB 0.265 32.089 31.823 0.000 0.000 0.938 320 V HN 1.093 nan 8.190 nan 0.000 0.482 321 E N 3.441 123.701 120.200 0.101 0.000 2.076 321 E HA 0.006 4.355 4.350 -0.001 0.000 0.190 321 E C 0.261 177.076 176.600 0.359 0.000 0.979 321 E CA 0.859 57.367 56.400 0.180 0.000 0.807 321 E CB 0.125 29.919 29.700 0.158 0.000 0.761 321 E HN 0.561 nan 8.360 nan 0.000 0.454 322 F N 1.517 121.512 119.950 0.076 0.000 2.532 322 F HA 0.379 4.905 4.527 -0.001 0.000 0.365 322 F C -2.678 173.127 175.800 0.009 0.000 1.112 322 F CA -3.706 54.299 58.000 0.008 0.000 1.082 322 F CB 1.324 40.125 39.000 -0.332 0.000 1.319 322 F HN -0.212 nan 8.300 nan 0.000 0.457 323 P HA 0.179 nan 4.420 nan 0.000 0.252 323 P C -1.385 175.688 177.300 -0.377 0.000 1.727 323 P CA 0.688 63.661 63.100 -0.211 0.000 1.134 323 P CB -0.231 31.414 31.700 -0.092 0.000 1.876 324 H N 0.544 119.197 119.070 -0.695 0.000 3.094 324 H HA 0.672 5.228 4.556 -0.001 0.000 0.346 324 H C -0.675 174.376 175.328 -0.462 0.000 1.238 324 H CA -0.263 55.318 56.048 -0.777 0.000 1.209 324 H CB 1.590 30.455 29.762 -1.495 0.000 1.911 324 H HN 0.446 nan 8.280 nan 0.000 0.540 325 G N 1.510 109.810 108.800 -0.833 0.000 2.358 325 G HA2 0.290 4.249 3.960 -0.001 0.000 0.303 325 G HA3 0.290 4.249 3.960 -0.001 0.000 0.303 325 G C -2.374 172.237 174.900 -0.482 0.000 1.537 325 G CA -0.959 43.928 45.100 -0.356 0.000 0.928 325 G HN 0.411 nan 8.290 nan 0.000 0.656 326 Y N 0.087 120.517 120.300 0.217 0.000 2.468 326 Y HA 0.520 5.069 4.550 -0.001 0.000 0.342 326 Y C 1.952 178.019 175.900 0.279 0.000 1.021 326 Y CA -0.054 58.174 58.100 0.213 0.000 1.079 326 Y CB 2.276 40.836 38.460 0.167 0.000 1.226 326 Y HN 0.564 nan 8.280 nan 0.000 0.460 327 T N 0.626 115.281 114.554 0.169 0.000 2.685 327 T HA -0.235 4.114 4.350 -0.001 0.000 0.268 327 T C 0.702 175.403 174.700 0.003 0.000 1.034 327 T CA 1.987 63.959 62.100 -0.214 0.000 1.149 327 T CB -0.355 68.150 68.868 -0.605 0.000 0.860 327 T HN 0.531 nan 8.240 nan 0.000 0.449 328 Y N 1.116 121.582 120.300 0.276 0.000 2.524 328 Y HA 0.432 4.981 4.550 -0.001 0.000 0.266 328 Y C 1.115 177.184 175.900 0.282 0.000 1.180 328 Y CA -1.354 56.940 58.100 0.324 0.000 1.244 328 Y CB -0.486 38.117 38.460 0.237 0.000 1.125 328 Y HN -0.029 nan 8.280 nan 0.000 0.524 329 S N 1.461 117.412 115.700 0.418 0.000 2.546 329 S HA 0.271 4.740 4.470 -0.001 0.000 0.290 329 S C 1.083 175.790 174.600 0.179 0.000 1.262 329 S CA 0.541 58.938 58.200 0.327 0.000 1.083 329 S CB -0.122 63.264 63.200 0.310 0.000 0.859 329 S HN 0.574 nan 8.310 nan 0.000 0.495 330 A N 2.468 125.302 122.820 0.025 0.000 2.872 330 A HA -0.198 4.121 4.320 -0.001 0.000 0.273 330 A C 0.465 178.046 177.584 -0.005 0.000 1.442 330 A CA 0.596 52.441 52.037 -0.319 0.000 0.801 330 A CB -2.446 16.309 19.000 -0.408 0.000 1.031 330 A HN 0.960 nan 8.150 nan 0.000 0.582 331 H N 0.520 119.601 119.070 0.018 0.000 3.094 331 H HA 0.096 4.651 4.556 -0.001 0.000 0.320 331 H C -1.093 174.191 175.328 -0.072 0.000 1.000 331 H CA 0.085 56.169 56.048 0.062 0.000 1.413 331 H CB 0.850 30.653 29.762 0.067 0.000 1.405 331 H HN 0.265 nan 8.280 nan 0.000 0.586 332 P HA -0.142 nan 4.420 nan 0.000 0.218 332 P C 1.677 178.931 177.300 -0.077 0.000 1.149 332 P CA 0.669 63.511 63.100 -0.429 0.000 0.817 332 P CB 0.313 31.556 31.700 -0.761 0.000 0.785 333 V N 0.446 120.485 119.914 0.207 0.000 2.453 333 V HA -0.161 3.958 4.120 -0.001 0.000 0.247 333 V C 2.675 178.779 176.094 0.017 0.000 1.048 333 V CA 1.973 64.334 62.300 0.102 0.000 1.049 333 V CB -1.720 30.164 31.823 0.102 0.000 0.672 333 V HN 0.090 nan 8.190 nan 0.000 0.457 334 A N -0.826 122.011 122.820 0.028 0.000 1.933 334 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 334 A C 2.351 179.904 177.584 -0.052 0.000 1.175 334 A CA 2.202 54.213 52.037 -0.045 0.000 0.628 334 A CB -1.072 17.900 19.000 -0.047 0.000 0.814 334 A HN 0.589 nan 8.150 nan 0.000 0.444 335 C N -1.077 118.186 119.300 -0.062 0.000 2.446 335 C HA 0.086 4.545 4.460 -0.001 0.000 0.277 335 C C 3.310 178.278 174.990 -0.037 0.000 1.275 335 C CA 0.660 59.629 59.018 -0.082 0.000 1.727 335 C CB -1.337 26.367 27.740 -0.060 0.000 2.010 335 C HN 0.708 nan 8.230 nan 0.000 0.486 336 A N 0.658 123.459 122.820 -0.032 0.000 1.902 336 A HA 0.022 4.342 4.320 -0.001 0.000 0.217 336 A C 2.363 179.931 177.584 -0.026 0.000 1.181 336 A CA 2.155 54.178 52.037 -0.024 0.000 0.623 336 A CB -0.886 18.097 19.000 -0.028 0.000 0.818 336 A HN 0.577 nan 8.150 nan 0.000 0.443 337 A N -0.578 122.221 122.820 -0.035 0.000 1.930 337 A HA 0.155 4.475 4.320 -0.001 0.000 0.217 337 A C 2.399 179.956 177.584 -0.045 0.000 1.175 337 A CA 1.854 53.867 52.037 -0.040 0.000 0.627 337 A CB -1.324 17.647 19.000 -0.049 0.000 0.815 337 A HN 0.714 nan 8.150 nan 0.000 0.443 338 G N -0.172 108.600 108.800 -0.046 0.000 2.418 338 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.217 338 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.217 338 G C 1.558 176.433 174.900 -0.042 0.000 1.158 338 G CA 1.023 46.090 45.100 -0.054 0.000 0.771 338 G HN 0.423 nan 8.290 nan 0.000 0.545 339 L N 0.667 121.880 121.223 -0.016 0.000 2.046 339 L HA -0.043 4.297 4.340 -0.001 0.000 0.208 339 L C 3.396 180.263 176.870 -0.006 0.000 1.077 339 L CA 1.102 55.944 54.840 0.002 0.000 0.747 339 L CB -0.338 41.730 42.059 0.015 0.000 0.896 339 L HN 0.299 nan 8.230 nan 0.000 0.432 340 A N -0.221 122.591 122.820 -0.014 0.000 1.930 340 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 340 A C 2.502 180.074 177.584 -0.021 0.000 1.175 340 A CA 1.607 53.636 52.037 -0.013 0.000 0.627 340 A CB -0.667 18.324 19.000 -0.015 0.000 0.815 340 A HN 0.396 nan 8.150 nan 0.000 0.443 341 A N -0.244 122.552 122.820 -0.041 0.000 1.898 341 A HA 0.010 4.330 4.320 -0.001 0.000 0.216 341 A C 2.149 179.704 177.584 -0.048 0.000 1.181 341 A CA 1.386 53.390 52.037 -0.055 0.000 0.620 341 A CB -0.533 18.412 19.000 -0.092 0.000 0.819 341 A HN 0.458 nan 8.150 nan 0.000 0.442 342 L N -1.133 120.055 121.223 -0.058 0.000 2.093 342 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 342 L C 2.786 179.666 176.870 0.017 0.000 1.085 342 L CA 1.209 56.033 54.840 -0.028 0.000 0.755 342 L CB -0.730 41.316 42.059 -0.021 0.000 0.904 342 L HN 0.622 nan 8.230 nan 0.000 0.435 343 C N 0.314 119.622 119.300 0.014 0.000 2.429 343 C HA -0.159 4.301 4.460 -0.001 0.000 0.277 343 C C 2.802 177.806 174.990 0.024 0.000 1.262 343 C CA 0.645 59.676 59.018 0.023 0.000 1.733 343 C CB -0.749 27.002 27.740 0.018 0.000 2.010 343 C HN 0.395 nan 8.230 nan 0.000 0.483 344 L N -0.097 121.137 121.223 0.018 0.000 2.017 344 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 344 L C 2.508 179.405 176.870 0.045 0.000 1.073 344 L CA 1.180 56.035 54.840 0.025 0.000 0.745 344 L CB -0.674 41.393 42.059 0.012 0.000 0.894 344 L HN 0.337 nan 8.230 nan 0.000 0.432 345 L N -0.502 120.754 121.223 0.056 0.000 2.042 345 L HA -0.264 4.076 4.340 -0.001 0.000 0.210 345 L C 2.716 179.627 176.870 0.068 0.000 1.076 345 L CA 1.818 56.713 54.840 0.092 0.000 0.749 345 L CB -0.561 41.565 42.059 0.111 0.000 0.893 345 L HN 0.304 nan 8.230 nan 0.000 0.432 346 Q N -0.718 119.114 119.800 0.053 0.000 2.062 346 Q HA -0.163 4.176 4.340 -0.001 0.000 0.196 346 Q C 2.264 178.285 176.000 0.035 0.000 0.967 346 Q CA 1.234 57.062 55.803 0.042 0.000 0.832 346 Q CB -0.290 28.474 28.738 0.042 0.000 0.899 346 Q HN 0.530 nan 8.270 nan 0.000 0.442 347 K N 0.986 121.406 120.400 0.034 0.000 2.097 347 K HA -0.133 4.186 4.320 -0.001 0.000 0.206 347 K C 1.618 178.237 176.600 0.031 0.000 1.049 347 K CA 1.073 57.378 56.287 0.029 0.000 0.933 347 K CB 0.067 32.583 32.500 0.026 0.000 0.717 347 K HN 0.295 nan 8.250 nan 0.000 0.442 348 E N 0.279 120.502 120.200 0.038 0.000 2.479 348 E HA 0.009 4.359 4.350 -0.001 0.000 0.193 348 E C -0.473 176.153 176.600 0.044 0.000 1.049 348 E CA -0.227 56.198 56.400 0.042 0.000 0.870 348 E CB -0.003 29.727 29.700 0.050 0.000 0.944 348 E HN 0.247 nan 8.360 nan 0.000 0.492 349 N N 0.489 119.211 118.700 0.037 0.000 2.725 349 N HA -0.199 4.541 4.740 -0.001 0.000 0.251 349 N C 0.388 175.914 175.510 0.026 0.000 1.031 349 N CA -0.023 53.043 53.050 0.025 0.000 0.720 349 N CB -0.840 37.658 38.487 0.018 0.000 0.930 349 N HN 0.205 nan 8.380 nan 0.000 0.543 350 L N -1.310 119.943 121.223 0.050 0.000 2.313 350 L HA -0.038 4.302 4.340 -0.001 0.000 0.214 350 L C 1.950 178.788 176.870 -0.053 0.000 1.119 350 L CA 0.570 55.458 54.840 0.079 0.000 0.809 350 L CB -0.076 42.125 42.059 0.236 0.000 0.933 350 L HN 0.226 nan 8.230 nan 0.000 0.449 351 V N -0.323 119.532 119.914 -0.098 0.000 2.358 351 V HA -0.286 3.833 4.120 -0.001 0.000 0.246 351 V C 2.438 178.442 176.094 -0.150 0.000 1.047 351 V CA 1.767 63.948 62.300 -0.199 0.000 1.035 351 V CB -0.420 31.309 31.823 -0.156 0.000 0.658 351 V HN 0.429 nan 8.190 nan 0.000 0.452 352 Q N 0.280 120.031 119.800 -0.081 0.000 2.119 352 Q HA -0.160 4.179 4.340 -0.001 0.000 0.201 352 Q C 2.399 178.370 176.000 -0.049 0.000 0.972 352 Q CA 2.078 57.846 55.803 -0.058 0.000 0.847 352 Q CB -0.636 28.084 28.738 -0.030 0.000 0.903 352 Q HN 0.540 nan 8.270 nan 0.000 0.433 353 S N -1.318 114.363 115.700 -0.032 0.000 2.370 353 S HA -0.127 4.343 4.470 -0.001 0.000 0.226 353 S C 1.802 176.384 174.600 -0.030 0.000 1.033 353 S CA 1.333 59.530 58.200 -0.006 0.000 1.011 353 S CB -0.381 62.844 63.200 0.042 0.000 0.852 353 S HN 0.323 nan 8.310 nan 0.000 0.457 354 V N 2.097 121.945 119.914 -0.109 0.000 2.287 354 V HA -0.186 3.934 4.120 -0.001 0.000 0.248 354 V C 2.825 178.852 176.094 -0.111 0.000 1.053 354 V CA 1.855 64.061 62.300 -0.156 0.000 1.027 354 V CB -1.373 30.234 31.823 -0.361 0.000 0.646 354 V HN 0.617 nan 8.190 nan 0.000 0.447 355 A N -0.577 122.176 122.820 -0.113 0.000 1.972 355 A HA -0.236 4.084 4.320 -0.001 0.000 0.219 355 A C 2.147 179.703 177.584 -0.046 0.000 1.169 355 A CA 1.882 53.865 52.037 -0.090 0.000 0.635 355 A CB -0.393 18.555 19.000 -0.087 0.000 0.810 355 A HN 0.669 nan 8.150 nan 0.000 0.446 356 E N -0.973 119.212 120.200 -0.025 0.000 2.318 356 E HA 0.025 4.375 4.350 -0.001 0.000 0.193 356 E C 1.545 178.165 176.600 0.034 0.000 0.998 356 E CA 0.679 57.081 56.400 0.004 0.000 0.859 356 E CB 0.138 29.841 29.700 0.005 0.000 0.812 356 E HN 0.403 nan 8.360 nan 0.000 0.492 357 V N 0.731 120.669 119.914 0.040 0.000 3.125 357 V HA 0.015 4.134 4.120 -0.001 0.000 0.249 357 V C 2.129 178.310 176.094 0.146 0.000 1.113 357 V CA 1.077 63.433 62.300 0.093 0.000 1.106 357 V CB 0.176 32.050 31.823 0.086 0.000 0.768 357 V HN 0.234 nan 8.190 nan 0.000 0.468 358 A N 1.250 124.117 122.820 0.078 0.000 1.917 358 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 358 A C 0.398 178.078 177.584 0.161 0.000 1.182 358 A CA 2.352 54.456 52.037 0.112 0.000 0.633 358 A CB -1.867 17.124 19.000 -0.015 0.000 0.819 358 A HN 0.537 nan 8.150 nan 0.000 0.448 359 P HA -0.135 nan 4.420 nan 0.000 0.217 359 P C 1.301 178.653 177.300 0.086 0.000 1.150 359 P CA 1.656 64.794 63.100 0.064 0.000 0.832 359 P CB -0.161 31.561 31.700 0.037 0.000 0.787 360 H N -1.669 117.444 119.070 0.072 0.000 2.363 360 H HA -0.100 4.455 4.556 -0.001 0.000 0.301 360 H C 1.829 177.213 175.328 0.094 0.000 1.074 360 H CA 1.282 57.371 56.048 0.069 0.000 1.354 360 H CB -0.778 29.034 29.762 0.084 0.000 1.397 360 H HN -0.062 nan 8.280 nan 0.000 0.516 361 F N 1.583 121.610 119.950 0.128 0.000 2.091 361 F HA -0.215 4.311 4.527 -0.001 0.000 0.299 361 F C 2.482 178.226 175.800 -0.093 0.000 1.103 361 F CA 2.160 60.201 58.000 0.068 0.000 1.228 361 F CB -0.442 38.636 39.000 0.131 0.000 0.984 361 F HN 0.347 nan 8.300 nan 0.000 0.477 362 E N 0.327 120.496 120.200 -0.053 0.000 2.058 362 E HA -0.311 4.038 4.350 -0.001 0.000 0.194 362 E C 2.374 178.854 176.600 -0.201 0.000 0.997 362 E CA 1.642 57.963 56.400 -0.131 0.000 0.801 362 E CB -0.321 29.379 29.700 0.001 0.000 0.746 362 E HN 0.494 nan 8.360 nan 0.000 0.450 363 K N -0.136 120.131 120.400 -0.221 0.000 2.057 363 K HA -0.129 4.190 4.320 -0.001 0.000 0.207 363 K C 2.023 178.413 176.600 -0.351 0.000 1.049 363 K CA 1.169 57.306 56.287 -0.251 0.000 0.931 363 K CB -0.163 32.181 32.500 -0.260 0.000 0.714 363 K HN 0.176 nan 8.250 nan 0.000 0.440 364 A N 1.144 123.672 122.820 -0.486 0.000 1.898 364 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 364 A C 2.031 179.045 177.584 -0.949 0.000 1.181 364 A CA 1.183 52.892 52.037 -0.546 0.000 0.620 364 A CB -0.570 18.229 19.000 -0.335 0.000 0.819 364 A HN 0.386 nan 8.150 nan 0.000 0.442 365 L N -0.769 119.647 121.223 -1.345 0.000 2.017 365 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 365 L C 2.245 178.629 176.870 -0.810 0.000 1.073 365 L CA 2.176 56.091 54.840 -1.542 0.000 0.745 365 L CB -0.748 40.424 42.059 -1.479 0.000 0.894 365 L HN 0.520 nan 8.230 nan 0.000 0.432 366 H N -0.786 117.988 119.070 -0.494 0.000 2.524 366 H HA 0.062 4.618 4.556 -0.001 0.000 0.282 366 H C 1.953 177.145 175.328 -0.227 0.000 1.016 366 H CA 0.856 56.746 56.048 -0.264 0.000 1.270 366 H CB -0.153 29.500 29.762 -0.183 0.000 1.394 366 H HN 0.553 nan 8.280 nan 0.000 0.568 367 G N 0.881 109.560 108.800 -0.202 0.000 2.535 367 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.218 367 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.218 367 G C 1.516 176.330 174.900 -0.143 0.000 1.122 367 G CA 0.049 45.050 45.100 -0.165 0.000 0.769 367 G HN 0.244 nan 8.290 nan 0.000 0.549 368 I N 0.299 120.764 120.570 -0.175 0.000 3.111 368 I HA 0.056 4.225 4.170 -0.001 0.000 0.272 368 I C 1.397 177.477 176.117 -0.062 0.000 1.268 368 I CA 0.155 61.392 61.300 -0.105 0.000 1.467 368 I CB -0.791 37.145 38.000 -0.106 0.000 1.087 368 I HN 0.144 nan 8.210 nan 0.000 0.467 369 K N 1.540 121.897 120.400 -0.072 0.000 2.511 369 K HA 0.116 4.436 4.320 -0.001 0.000 0.280 369 K C 1.180 177.714 176.600 -0.109 0.000 1.008 369 K CA 1.158 57.388 56.287 -0.096 0.000 1.050 369 K CB 0.269 32.650 32.500 -0.198 0.000 0.889 369 K HN 0.402 nan 8.250 nan 0.000 0.484 370 G N 1.932 110.675 108.800 -0.094 0.000 2.232 370 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.226 370 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.226 370 G C 0.158 175.043 174.900 -0.026 0.000 0.996 370 G CA -0.041 45.017 45.100 -0.070 0.000 0.626 370 G HN 0.946 nan 8.290 nan 0.000 0.509 371 A N 0.522 123.336 122.820 -0.010 0.000 2.406 371 A HA 0.546 4.866 4.320 -0.001 0.000 0.243 371 A C 0.792 178.388 177.584 0.020 0.000 1.082 371 A CA 0.896 52.936 52.037 0.004 0.000 0.786 371 A CB 0.196 19.202 19.000 0.010 0.000 1.029 371 A HN 0.715 nan 8.150 nan 0.000 0.495 372 K N 0.826 121.237 120.400 0.018 0.000 2.491 372 K HA -0.052 4.267 4.320 -0.001 0.000 0.279 372 K C 0.163 176.782 176.600 0.033 0.000 1.026 372 K CA 1.125 57.425 56.287 0.021 0.000 1.070 372 K CB -0.463 32.046 32.500 0.016 0.000 0.887 372 K HN 0.811 nan 8.250 nan 0.000 0.481 373 N N 0.717 119.439 118.700 0.037 0.000 2.753 373 N HA -0.205 4.535 4.740 -0.001 0.000 0.251 373 N C -0.817 174.728 175.510 0.057 0.000 1.097 373 N CA 0.443 53.519 53.050 0.043 0.000 0.786 373 N CB -0.702 37.805 38.487 0.034 0.000 1.137 373 N HN 0.157 nan 8.380 nan 0.000 0.566 374 V N 1.660 121.618 119.914 0.073 0.000 2.555 374 V HA 0.141 4.260 4.120 -0.001 0.000 0.286 374 V C 1.483 177.664 176.094 0.145 0.000 1.044 374 V CA 0.464 62.825 62.300 0.101 0.000 1.026 374 V CB 0.984 32.879 31.823 0.120 0.000 0.981 374 V HN 0.301 nan 8.190 nan 0.000 0.480 375 I N -0.351 120.272 120.570 0.089 0.000 4.288 375 I HA 0.588 4.757 4.170 -0.001 0.000 0.331 375 I C 0.136 176.139 176.117 -0.190 0.000 1.322 375 I CA 0.192 61.526 61.300 0.056 0.000 1.149 375 I CB 0.949 38.963 38.000 0.022 0.000 1.112 375 I HN 0.541 nan 8.210 nan 0.000 0.403 376 D N 0.754 120.984 120.400 -0.283 0.000 2.648 376 D HA 0.577 5.217 4.640 -0.001 0.000 0.244 376 D C -1.536 174.581 176.300 -0.305 0.000 1.244 376 D CA -0.272 53.362 54.000 -0.609 0.000 0.772 376 D CB 2.826 43.412 40.800 -0.356 0.000 1.379 376 D HN 0.142 nan 8.370 nan 0.000 0.428 377 I N 1.887 122.278 120.570 -0.299 0.000 2.569 377 I HA 0.483 4.652 4.170 -0.001 0.000 0.290 377 I C -0.378 175.670 176.117 -0.115 0.000 1.088 377 I CA -0.642 60.551 61.300 -0.179 0.000 1.047 377 I CB 2.068 39.906 38.000 -0.270 0.000 1.237 377 I HN 0.116 nan 8.210 nan 0.000 0.421 378 R N 5.141 125.610 120.500 -0.052 0.000 2.744 378 R HA 0.618 4.958 4.340 -0.001 0.000 0.279 378 R C -1.302 175.096 176.300 0.163 0.000 0.977 378 R CA -1.009 55.145 56.100 0.090 0.000 0.906 378 R CB 2.524 32.870 30.300 0.076 0.000 1.197 378 R HN 0.758 nan 8.270 nan 0.000 0.463 379 N N 1.620 120.484 118.700 0.273 0.000 2.598 379 N HA 0.373 5.113 4.740 -0.001 0.000 0.263 379 N C -1.674 174.092 175.510 0.426 0.000 1.254 379 N CA -0.568 52.690 53.050 0.347 0.000 0.863 379 N CB 2.281 40.950 38.487 0.303 0.000 1.586 379 N HN 0.484 nan 8.380 nan 0.000 0.491 380 F N 0.348 120.452 119.950 0.257 0.000 2.623 380 F HA 0.512 5.038 4.527 -0.001 0.000 0.323 380 F C 0.753 176.652 175.800 0.165 0.000 1.158 380 F CA 1.021 59.133 58.000 0.187 0.000 1.030 380 F CB 1.179 40.292 39.000 0.189 0.000 1.280 380 F HN 1.040 nan 8.300 nan 0.000 0.474 381 G N 4.384 112.974 108.800 -0.349 0.000 2.611 381 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.301 381 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.301 381 G C -0.131 174.764 174.900 -0.010 0.000 1.233 381 G CA 0.247 45.237 45.100 -0.184 0.000 0.993 381 G HN 0.893 nan 8.290 nan 0.000 0.553 382 L N 1.733 122.921 121.223 -0.059 0.000 3.036 382 L HA 0.589 4.929 4.340 -0.001 0.000 0.237 382 L C 0.913 177.759 176.870 -0.040 0.000 1.319 382 L CA 0.346 55.020 54.840 -0.277 0.000 1.112 382 L CB -0.461 41.485 42.059 -0.188 0.000 1.480 382 L HN 0.844 nan 8.230 nan 0.000 0.506 383 A N -0.322 122.650 122.820 0.253 0.000 2.374 383 A HA 0.875 5.195 4.320 -0.001 0.000 0.305 383 A C -0.200 177.784 177.584 0.667 0.000 1.053 383 A CA -0.317 52.032 52.037 0.521 0.000 0.726 383 A CB 1.602 20.844 19.000 0.403 0.000 1.229 383 A HN 0.306 nan 8.150 nan 0.000 0.431 384 G N -0.462 108.802 108.800 0.774 0.000 2.692 384 G HA2 0.870 4.830 3.960 -0.001 0.000 0.291 384 G HA3 0.870 4.830 3.960 -0.001 0.000 0.291 384 G C -0.993 174.245 174.900 0.564 0.000 1.423 384 G CA 0.132 45.607 45.100 0.624 0.000 0.843 384 G HN 1.925 nan 8.290 nan 0.000 0.486 385 A N -0.098 122.942 122.820 0.366 0.000 2.594 385 A HA 0.811 5.131 4.320 -0.001 0.000 0.295 385 A C -1.370 176.337 177.584 0.204 0.000 1.071 385 A CA -0.566 51.659 52.037 0.313 0.000 0.685 385 A CB 1.300 20.417 19.000 0.195 0.000 1.285 385 A HN 0.776 nan 8.150 nan 0.000 0.405 386 I N 1.393 122.101 120.570 0.230 0.000 2.389 386 I HA 0.346 4.516 4.170 -0.001 0.000 0.288 386 I C 0.030 176.199 176.117 0.088 0.000 0.999 386 I CA -0.295 61.087 61.300 0.138 0.000 1.129 386 I CB 1.936 40.062 38.000 0.209 0.000 1.288 386 I HN 0.794 nan 8.210 nan 0.000 0.444 387 Q N 6.586 126.404 119.800 0.030 0.000 2.256 387 Q HA 0.604 4.944 4.340 -0.001 0.000 0.254 387 Q C -1.257 174.759 176.000 0.026 0.000 0.916 387 Q CA -0.506 55.305 55.803 0.014 0.000 0.932 387 Q CB 1.529 30.249 28.738 -0.030 0.000 1.207 387 Q HN 0.582 nan 8.270 nan 0.000 0.426 388 I N 2.647 123.238 120.570 0.034 0.000 2.474 388 I HA 0.456 4.626 4.170 -0.001 0.000 0.294 388 I C -0.104 176.031 176.117 0.031 0.000 1.005 388 I CA -1.005 60.319 61.300 0.040 0.000 1.113 388 I CB 1.890 39.919 38.000 0.047 0.000 1.289 388 I HN 0.690 nan 8.210 nan 0.000 0.436 389 A N 7.193 130.032 122.820 0.032 0.000 2.462 389 A HA 0.453 4.773 4.320 -0.001 0.000 0.243 389 A C -2.385 175.215 177.584 0.026 0.000 1.076 389 A CA -0.884 51.170 52.037 0.027 0.000 0.773 389 A CB -0.607 18.411 19.000 0.030 0.000 1.010 389 A HN 0.408 nan 8.150 nan 0.000 0.493 390 P HA 0.249 nan 4.420 nan 0.000 0.271 390 P C -0.439 176.874 177.300 0.022 0.000 1.218 390 P CA -0.229 62.885 63.100 0.023 0.000 0.780 390 P CB 0.447 32.159 31.700 0.020 0.000 0.901 391 R N 2.343 122.856 120.500 0.023 0.000 2.204 391 R HA 0.126 4.466 4.340 -0.001 0.000 0.341 391 R C -0.436 175.874 176.300 0.017 0.000 1.035 391 R CA -0.139 55.973 56.100 0.021 0.000 0.887 391 R CB -0.568 29.747 30.300 0.024 0.000 1.114 391 R HN 0.478 nan 8.270 nan 0.000 0.473 392 D N 3.998 124.407 120.400 0.015 0.000 2.686 392 D HA -0.206 4.434 4.640 -0.001 0.000 0.235 392 D C 0.748 177.055 176.300 0.012 0.000 1.160 392 D CA 1.768 55.775 54.000 0.013 0.000 0.645 392 D CB -0.987 39.819 40.800 0.011 0.000 1.039 392 D HN 1.059 nan 8.370 nan 0.000 0.423 393 G N -0.057 108.751 108.800 0.013 0.000 2.225 393 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.254 393 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.254 393 G C -0.041 174.867 174.900 0.012 0.000 0.988 393 G CA 0.285 45.392 45.100 0.012 0.000 0.625 393 G HN 0.555 nan 8.290 nan 0.000 0.527 394 D N 0.924 121.332 120.400 0.013 0.000 2.380 394 D HA 0.661 5.301 4.640 -0.001 0.000 0.230 394 D C 1.256 177.569 176.300 0.022 0.000 1.154 394 D CA 0.383 54.391 54.000 0.014 0.000 0.859 394 D CB 0.889 41.696 40.800 0.012 0.000 1.045 394 D HN 0.374 nan 8.370 nan 0.000 0.495 395 A N 3.839 126.673 122.820 0.023 0.000 2.178 395 A HA 0.025 4.345 4.320 -0.001 0.000 0.211 395 A C 1.913 179.523 177.584 0.044 0.000 1.157 395 A CA 0.298 52.352 52.037 0.030 0.000 0.780 395 A CB -0.353 18.661 19.000 0.024 0.000 0.828 395 A HN 0.739 nan 8.150 nan 0.000 0.476 396 I N -4.792 115.807 120.570 0.048 0.000 3.854 396 I HA 0.177 4.347 4.170 -0.001 0.000 0.312 396 I C 1.736 177.904 176.117 0.086 0.000 1.273 396 I CA 0.374 61.719 61.300 0.076 0.000 1.298 396 I CB 0.202 38.247 38.000 0.075 0.000 1.071 396 I HN -0.063 nan 8.210 nan 0.000 0.428 397 V N 2.218 122.169 119.914 0.061 0.000 2.358 397 V HA -0.169 3.951 4.120 -0.001 0.000 0.246 397 V C 2.803 178.964 176.094 0.111 0.000 1.047 397 V CA 1.839 64.195 62.300 0.093 0.000 1.035 397 V CB -0.447 31.412 31.823 0.059 0.000 0.658 397 V HN 0.449 nan 8.190 nan 0.000 0.452 398 R N 0.112 120.648 120.500 0.061 0.000 2.073 398 R HA -0.080 4.260 4.340 -0.001 0.000 0.234 398 R C 0.079 176.378 176.300 -0.001 0.000 1.134 398 R CA 2.024 58.142 56.100 0.031 0.000 0.952 398 R CB -1.675 28.643 30.300 0.030 0.000 0.850 398 R HN 0.484 nan 8.270 nan 0.000 0.433 399 P HA -0.178 nan 4.420 nan 0.000 0.216 399 P C 1.000 178.157 177.300 -0.238 0.000 1.150 399 P CA 1.059 64.162 63.100 0.004 0.000 0.837 399 P CB -0.077 31.698 31.700 0.125 0.000 0.786 400 F N 1.335 120.997 119.950 -0.480 0.000 2.102 400 F HA -0.159 4.369 4.527 0.002 0.000 0.298 400 F C 1.943 177.380 175.800 -0.606 0.000 1.105 400 F CA 1.646 59.055 58.000 -0.986 0.000 1.239 400 F CB -0.735 37.962 39.000 -0.505 0.000 0.991 400 F HN -0.113 nan 8.300 nan 0.000 0.474 401 E N 0.346 120.275 120.200 -0.452 0.000 2.110 401 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 401 E C 2.388 178.790 176.600 -0.330 0.000 0.988 401 E CA 0.935 57.078 56.400 -0.429 0.000 0.804 401 E CB -0.425 29.204 29.700 -0.119 0.000 0.745 401 E HN 0.533 nan 8.360 nan 0.000 0.458 402 A N 1.193 123.878 122.820 -0.226 0.000 1.902 402 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 402 A C 2.442 179.953 177.584 -0.121 0.000 1.181 402 A CA 1.752 53.717 52.037 -0.121 0.000 0.623 402 A CB -1.159 17.813 19.000 -0.046 0.000 0.818 402 A HN 0.368 nan 8.150 nan 0.000 0.443 403 G N -0.933 107.729 108.800 -0.230 0.000 2.422 403 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.218 403 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.218 403 G C 1.505 176.384 174.900 -0.035 0.000 1.146 403 G CA 1.300 46.365 45.100 -0.058 0.000 0.769 403 G HN 0.348 nan 8.290 nan 0.000 0.547 404 M N 1.117 120.534 119.600 -0.306 0.000 2.132 404 M HA 0.093 4.573 4.480 -0.001 0.000 0.263 404 M C 3.007 179.319 176.300 0.020 0.000 1.065 404 M CA 1.255 56.450 55.300 -0.176 0.000 1.122 404 M CB -1.250 31.084 32.600 -0.443 0.000 1.365 404 M HN 0.310 nan 8.290 nan 0.000 0.411 405 A N 0.257 123.056 122.820 -0.036 0.000 1.930 405 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 405 A C 2.323 179.974 177.584 0.111 0.000 1.175 405 A CA 1.203 53.258 52.037 0.030 0.000 0.627 405 A CB -0.862 18.136 19.000 -0.003 0.000 0.815 405 A HN 0.446 nan 8.150 nan 0.000 0.443 406 L N -1.634 119.674 121.223 0.141 0.000 2.056 406 L HA -0.183 4.157 4.340 -0.001 0.000 0.207 406 L C 2.582 179.655 176.870 0.338 0.000 1.078 406 L CA 1.312 56.296 54.840 0.240 0.000 0.749 406 L CB -0.463 41.718 42.059 0.203 0.000 0.901 406 L HN 0.791 nan 8.230 nan 0.000 0.433 407 W N 1.760 123.144 121.300 0.140 0.000 2.335 407 W HA -0.244 4.416 4.660 0.000 0.000 0.311 407 W C 2.151 178.724 176.519 0.090 0.000 1.213 407 W CA 1.611 59.038 57.345 0.136 0.000 1.274 407 W CB -0.061 29.469 29.460 0.117 0.000 1.148 407 W HN 0.118 nan 8.180 nan 0.000 0.498 408 K N 0.129 120.600 120.400 0.119 0.000 2.147 408 K HA -0.113 4.207 4.320 -0.001 0.000 0.205 408 K C 2.137 178.705 176.600 -0.054 0.000 1.049 408 K CA 1.338 57.615 56.287 -0.017 0.000 0.936 408 K CB -0.429 32.111 32.500 0.067 0.000 0.722 408 K HN 0.108 nan 8.250 nan 0.000 0.446 409 A N 0.440 123.287 122.820 0.045 0.000 2.167 409 A HA 0.131 4.450 4.320 -0.001 0.000 0.214 409 A C 1.342 178.893 177.584 -0.056 0.000 1.151 409 A CA 1.060 53.152 52.037 0.091 0.000 0.735 409 A CB -0.104 19.057 19.000 0.269 0.000 0.802 409 A HN 0.420 nan 8.150 nan 0.000 0.467 410 G N -2.353 106.325 108.800 -0.204 0.000 2.141 410 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.164 410 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.164 410 G C -0.272 174.255 174.900 -0.621 0.000 1.009 410 G CA -0.165 44.660 45.100 -0.460 0.000 0.677 410 G HN 0.386 nan 8.290 nan 0.000 0.508 411 F N -0.019 119.971 119.950 0.067 0.000 2.539 411 F HA 0.555 5.081 4.527 -0.001 0.000 0.318 411 F C -0.070 175.890 175.800 0.267 0.000 1.135 411 F CA -1.640 56.455 58.000 0.157 0.000 0.915 411 F CB 1.451 40.514 39.000 0.104 0.000 1.176 411 F HN 0.138 nan 8.300 nan 0.000 0.440 412 Y N 4.188 124.689 120.300 0.335 0.000 2.404 412 Y HA 0.644 5.193 4.550 -0.001 0.000 0.344 412 Y C -1.264 174.749 175.900 0.189 0.000 0.995 412 Y CA -1.084 57.212 58.100 0.325 0.000 1.201 412 Y CB 0.670 39.291 38.460 0.267 0.000 1.151 412 Y HN 0.341 nan 8.280 nan 0.000 0.517 413 V N 7.892 127.641 119.914 -0.275 0.000 2.483 413 V HA 0.364 4.484 4.120 -0.001 0.000 0.297 413 V C -0.334 175.457 176.094 -0.505 0.000 1.027 413 V CA -1.100 60.918 62.300 -0.470 0.000 0.855 413 V CB 1.352 33.078 31.823 -0.162 0.000 0.995 413 V HN 0.700 nan 8.190 nan 0.000 0.424 414 R N 4.683 124.726 120.500 -0.762 0.000 2.522 414 R HA 0.324 4.663 4.340 -0.001 0.000 0.284 414 R C -0.863 175.272 176.300 -0.275 0.000 1.032 414 R CA 0.171 55.962 56.100 -0.515 0.000 1.049 414 R CB 0.037 30.003 30.300 -0.556 0.000 0.956 414 R HN 0.571 nan 8.270 nan 0.000 0.422 415 F N 1.165 121.028 119.950 -0.145 0.000 2.532 415 F HA 0.891 5.417 4.527 -0.002 0.000 0.321 415 F C 0.004 175.781 175.800 -0.038 0.000 1.089 415 F CA -1.060 56.892 58.000 -0.079 0.000 0.926 415 F CB 2.138 41.133 39.000 -0.008 0.000 1.168 415 F HN 0.581 nan 8.300 nan 0.000 0.459 416 G N 0.745 109.595 108.800 0.083 0.000 2.750 416 G HA2 0.579 4.539 3.960 -0.001 0.000 0.298 416 G HA3 0.579 4.539 3.960 -0.001 0.000 0.298 416 G C -0.245 174.686 174.900 0.051 0.000 1.412 416 G CA -0.035 45.070 45.100 0.009 0.000 1.078 416 G HN 1.596 nan 8.290 nan 0.000 0.573 417 G N 2.686 111.524 108.800 0.063 0.000 2.596 417 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.295 417 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.295 417 G C 0.789 175.732 174.900 0.072 0.000 1.240 417 G CA 1.303 46.434 45.100 0.051 0.000 0.985 417 G HN 1.766 nan 8.290 nan 0.000 0.555 418 D N 1.081 121.507 120.400 0.042 0.000 2.395 418 D HA 0.336 4.976 4.640 -0.001 0.000 0.226 418 D C 1.050 177.379 176.300 0.047 0.000 1.146 418 D CA 1.027 55.053 54.000 0.044 0.000 0.830 418 D CB -0.501 40.313 40.800 0.023 0.000 0.958 418 D HN 0.954 nan 8.370 nan 0.000 0.501 419 T N -2.470 112.118 114.554 0.057 0.000 2.907 419 T HA 0.616 4.965 4.350 -0.001 0.000 0.292 419 T C -0.152 174.583 174.700 0.058 0.000 1.043 419 T CA -1.037 61.096 62.100 0.056 0.000 1.003 419 T CB 1.784 70.678 68.868 0.045 0.000 1.084 419 T HN 0.024 nan 8.240 nan 0.000 0.483 420 L N 1.851 123.100 121.223 0.042 0.000 2.292 420 L HA 0.495 4.835 4.340 -0.001 0.000 0.284 420 L C 0.314 177.047 176.870 -0.229 0.000 1.065 420 L CA -0.723 54.059 54.840 -0.097 0.000 0.806 420 L CB 1.309 43.346 42.059 -0.037 0.000 1.175 420 L HN 0.663 nan 8.230 nan 0.000 0.431 421 Q N 2.617 122.125 119.800 -0.487 0.000 2.348 421 Q HA 0.662 5.001 4.340 -0.001 0.000 0.271 421 Q C -1.625 173.904 176.000 -0.786 0.000 1.067 421 Q CA -0.597 55.007 55.803 -0.333 0.000 0.839 421 Q CB 2.874 31.572 28.738 -0.067 0.000 1.354 421 Q HN 0.340 nan 8.270 nan 0.000 0.447 422 F N -0.453 119.551 119.950 0.091 0.000 2.569 422 F HA 0.649 5.176 4.527 -0.000 0.000 0.312 422 F C 0.333 176.167 175.800 0.057 0.000 1.109 422 F CA -0.776 57.279 58.000 0.093 0.000 0.919 422 F CB 2.582 41.858 39.000 0.460 0.000 1.211 422 F HN 0.613 nan 8.300 nan 0.000 0.446 423 G N 3.311 112.095 108.800 -0.027 0.000 3.846 423 G HA2 0.474 4.433 3.960 -0.001 0.000 0.281 423 G HA3 0.474 4.433 3.960 -0.001 0.000 0.281 423 G C -3.317 171.552 174.900 -0.051 0.000 1.384 423 G CA -1.226 43.859 45.100 -0.024 0.000 0.641 423 G HN 0.206 nan 8.290 nan 0.000 0.458 424 P HA 0.228 nan 4.420 nan 0.000 0.272 424 P C 1.039 178.330 177.300 -0.015 0.000 1.240 424 P CA -0.038 63.055 63.100 -0.011 0.000 0.791 424 P CB 0.518 32.258 31.700 0.066 0.000 0.978 425 T N -1.675 112.839 114.554 -0.066 0.000 2.855 425 T HA 0.069 4.418 4.350 -0.001 0.000 0.314 425 T C 0.880 175.644 174.700 0.107 0.000 1.077 425 T CA -0.008 62.030 62.100 -0.103 0.000 1.095 425 T CB -0.241 68.541 68.868 -0.145 0.000 0.987 425 T HN 0.073 nan 8.240 nan 0.000 0.546 426 F N 1.398 121.334 119.950 -0.023 0.000 2.293 426 F HA 0.051 4.577 4.527 -0.001 0.000 0.300 426 F C 2.061 177.861 175.800 -0.001 0.000 1.086 426 F CA 0.503 58.495 58.000 -0.014 0.000 1.375 426 F CB -1.132 37.864 39.000 -0.007 0.000 1.045 426 F HN 0.769 nan 8.300 nan 0.000 0.516 427 N N -0.913 117.894 118.700 0.180 0.000 2.320 427 N HA 0.065 4.805 4.740 -0.001 0.000 0.237 427 N C 0.052 175.625 175.510 0.105 0.000 1.129 427 N CA -0.125 52.996 53.050 0.118 0.000 0.854 427 N CB 0.144 38.687 38.487 0.093 0.000 1.083 427 N HN -0.125 nan 8.380 nan 0.000 0.504 428 S N 1.163 116.932 115.700 0.115 0.000 2.573 428 S HA 0.073 4.542 4.470 -0.001 0.000 0.277 428 S C 0.223 174.895 174.600 0.121 0.000 1.346 428 S CA -0.090 58.194 58.200 0.139 0.000 1.034 428 S CB 0.832 64.135 63.200 0.173 0.000 0.879 428 S HN 0.292 nan 8.310 nan 0.000 0.528 429 K N 2.739 123.214 120.400 0.125 0.000 2.183 429 K HA 0.265 4.584 4.320 -0.001 0.000 0.274 429 K C -1.964 174.647 176.600 0.018 0.000 1.009 429 K CA -2.058 54.269 56.287 0.067 0.000 0.888 429 K CB 0.899 33.451 32.500 0.086 0.000 1.078 429 K HN 0.213 nan 8.250 nan 0.000 0.459 430 P HA -0.242 nan 4.420 nan 0.000 0.217 430 P C 0.558 177.771 177.300 -0.145 0.000 1.151 430 P CA 1.436 64.338 63.100 -0.330 0.000 0.849 430 P CB 0.289 31.544 31.700 -0.742 0.000 0.787 431 Q N -0.798 118.961 119.800 -0.069 0.000 2.124 431 Q HA -0.152 4.187 4.340 -0.001 0.000 0.202 431 Q C 1.780 177.791 176.000 0.020 0.000 0.977 431 Q CA 1.422 57.229 55.803 0.007 0.000 0.850 431 Q CB -1.012 27.738 28.738 0.020 0.000 0.901 431 Q HN 0.305 nan 8.270 nan 0.000 0.429 432 D N 0.176 120.572 120.400 -0.008 0.000 2.144 432 D HA -0.073 4.567 4.640 -0.001 0.000 0.200 432 D C 1.808 177.987 176.300 -0.202 0.000 0.978 432 D CA 0.799 54.712 54.000 -0.146 0.000 0.833 432 D CB -0.031 40.636 40.800 -0.222 0.000 0.961 432 D HN 0.240 nan 8.370 nan 0.000 0.470 433 L N 0.810 122.029 121.223 -0.007 0.000 2.093 433 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 433 L C 1.946 178.920 176.870 0.172 0.000 1.085 433 L CA 0.891 55.809 54.840 0.130 0.000 0.755 433 L CB -0.320 41.974 42.059 0.392 0.000 0.904 433 L HN -0.105 nan 8.230 nan 0.000 0.435 434 D N 0.268 120.781 120.400 0.188 0.000 2.097 434 D HA -0.153 4.487 4.640 -0.001 0.000 0.195 434 D C 2.355 178.682 176.300 0.044 0.000 0.989 434 D CA 1.157 55.253 54.000 0.159 0.000 0.827 434 D CB -0.128 40.770 40.800 0.163 0.000 0.966 434 D HN 0.236 nan 8.370 nan 0.000 0.456 435 R N -0.013 120.489 120.500 0.002 0.000 2.081 435 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 435 R C 2.347 178.519 176.300 -0.214 0.000 1.131 435 R CA 0.587 56.679 56.100 -0.014 0.000 0.960 435 R CB -0.515 29.837 30.300 0.088 0.000 0.856 435 R HN 0.155 nan 8.270 nan 0.000 0.436 436 L N 0.231 121.244 121.223 -0.350 0.000 1.989 436 L HA -0.156 4.183 4.340 -0.001 0.000 0.211 436 L C 1.812 178.246 176.870 -0.727 0.000 1.071 436 L CA 1.845 56.231 54.840 -0.756 0.000 0.749 436 L CB -0.462 41.213 42.059 -0.640 0.000 0.890 436 L HN -0.010 nan 8.230 nan 0.000 0.431 437 F N -0.057 119.722 119.950 -0.285 0.000 2.325 437 F HA -0.088 4.439 4.527 -0.001 0.000 0.299 437 F C 2.212 177.883 175.800 -0.216 0.000 1.090 437 F CA 0.984 58.819 58.000 -0.275 0.000 1.392 437 F CB -0.734 38.095 39.000 -0.286 0.000 1.053 437 F HN 0.175 nan 8.300 nan 0.000 0.521 438 D N 0.238 120.607 120.400 -0.051 0.000 2.097 438 D HA -0.155 4.485 4.640 -0.001 0.000 0.195 438 D C 2.390 178.626 176.300 -0.108 0.000 0.989 438 D CA 1.501 55.467 54.000 -0.056 0.000 0.827 438 D CB -0.542 40.236 40.800 -0.037 0.000 0.966 438 D HN 0.216 nan 8.370 nan 0.000 0.456 439 A N 0.466 123.138 122.820 -0.246 0.000 1.898 439 A HA -0.115 4.205 4.320 -0.001 0.000 0.216 439 A C 2.527 179.996 177.584 -0.193 0.000 1.181 439 A CA 1.104 52.977 52.037 -0.273 0.000 0.620 439 A CB -0.715 17.898 19.000 -0.645 0.000 0.819 439 A HN 0.137 nan 8.150 nan 0.000 0.442 440 V N 0.018 119.806 119.914 -0.210 0.000 2.287 440 V HA -0.216 3.904 4.120 -0.001 0.000 0.248 440 V C 2.837 178.930 176.094 -0.002 0.000 1.053 440 V CA 2.081 64.346 62.300 -0.057 0.000 1.027 440 V CB -1.481 30.354 31.823 0.020 0.000 0.646 440 V HN 0.609 nan 8.190 nan 0.000 0.447 441 G N -0.957 107.840 108.800 -0.004 0.000 2.440 441 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.218 441 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.218 441 G C 1.545 176.442 174.900 -0.005 0.000 1.154 441 G CA 1.001 46.101 45.100 0.001 0.000 0.767 441 G HN 0.577 nan 8.290 nan 0.000 0.552 442 E N -0.168 120.023 120.200 -0.015 0.000 2.077 442 E HA -0.103 4.246 4.350 -0.001 0.000 0.193 442 E C 2.651 179.251 176.600 -0.000 0.000 0.989 442 E CA 1.078 57.474 56.400 -0.007 0.000 0.800 442 E CB -0.074 29.622 29.700 -0.008 0.000 0.746 442 E HN 0.261 nan 8.360 nan 0.000 0.452 443 V N 1.271 121.183 119.914 -0.002 0.000 2.307 443 V HA -0.258 3.862 4.120 -0.001 0.000 0.245 443 V C 2.446 178.545 176.094 0.008 0.000 1.045 443 V CA 1.444 63.747 62.300 0.005 0.000 1.024 443 V CB -0.405 31.422 31.823 0.007 0.000 0.651 443 V HN 0.345 nan 8.190 nan 0.000 0.449 444 L N 0.235 121.468 121.223 0.015 0.000 2.079 444 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 444 L C 2.292 179.170 176.870 0.015 0.000 1.081 444 L CA 1.441 56.294 54.840 0.021 0.000 0.752 444 L CB -0.695 41.385 42.059 0.035 0.000 0.896 444 L HN 0.391 nan 8.230 nan 0.000 0.433 445 N N 0.699 119.405 118.700 0.010 0.000 2.459 445 N HA -0.128 4.611 4.740 -0.001 0.000 0.181 445 N C 1.478 176.992 175.510 0.007 0.000 1.046 445 N CA 0.946 54.001 53.050 0.007 0.000 0.904 445 N CB 0.034 38.523 38.487 0.003 0.000 0.964 445 N HN 0.564 nan 8.380 nan 0.000 0.444 446 K N -0.827 119.577 120.400 0.006 0.000 2.353 446 K HA 0.152 4.471 4.320 -0.001 0.000 0.195 446 K C 0.181 176.784 176.600 0.005 0.000 1.031 446 K CA -0.329 55.962 56.287 0.006 0.000 1.079 446 K CB 0.343 32.846 32.500 0.005 0.000 0.857 446 K HN -0.169 nan 8.250 nan 0.000 0.535 447 L N 2.782 124.008 121.223 0.005 0.000 2.416 447 L HA 0.195 4.534 4.340 -0.001 0.000 0.272 447 L C 0.221 177.097 176.870 0.009 0.000 1.161 447 L CA -0.171 54.672 54.840 0.005 0.000 0.845 447 L CB 0.503 42.564 42.059 0.005 0.000 1.119 447 L HN 0.175 nan 8.230 nan 0.000 0.464 448 L N 0.000 121.229 121.223 0.011 0.000 2.949 448 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 448 L CA 0.000 54.848 54.840 0.013 0.000 0.813 448 L CB 0.000 42.068 42.059 0.015 0.000 0.961 448 L HN 0.000 nan 8.230 nan 0.000 0.502