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 1cf1_1_D DATA FIRST_RESID 9 DATA SEQUENCE NHVIFKKISR DKSVTIYLGK RDYIDHVERV EPVDGVVLVD PELVKGKRVY DATA SEQUENCE VSLTCAFRYG QEDIDVMGLS FRRDLYFSQV QVFPPVGASG ATTRLQESLI DATA SEQUENCE KKLGANTYPF LLTFPDYLPC SVMLQPAPQD VGKSCGVDFE IKAFATHSTD DATA SEQUENCE VEEDKIPKKS SVRLLIRKVQ HAPRDMGPQP RAEASWQFFM SDKPLRLAVS DATA SEQUENCE LSKEIYYHGE PIPVTVAVTN STEKTVKKIK VLVEQVTNVV LYSSDYYIKT DATA SEQUENCE VAAEEAQEKV PPNSSLTKTL TLVPLLANNR ERRGIALDGK IKHEDTNLAS DATA SEQUENCE STIIKEGIDK TVMGILVSYQ IKVKLTVSGL LGELTSSEVA TEVPFRLMHP DATA SEQUENCE QPEXXXXXXX XXXDENFVFE EFARQNLK 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 9 N HA 0.000 nan 4.740 nan 0.000 0.220 9 N C 0.000 175.512 175.510 0.003 0.000 1.280 9 N CA 0.000 53.019 53.050 -0.052 0.000 0.885 9 N CB 0.000 38.463 38.487 -0.040 0.000 1.341 10 H N -0.017 118.998 119.070 -0.092 0.000 3.240 10 H HA 0.330 4.886 4.556 -0.000 0.000 0.329 10 H C -1.444 173.862 175.328 -0.038 0.000 1.024 10 H CA -0.486 55.547 56.048 -0.026 0.000 1.487 10 H CB 0.962 30.750 29.762 0.042 0.000 1.909 10 H HN 0.189 nan 8.280 nan 0.000 0.465 11 V N 6.382 126.379 119.914 0.138 0.000 2.555 11 V HA 0.139 4.259 4.120 -0.000 0.000 0.286 11 V C 0.204 176.073 176.094 -0.374 0.000 1.044 11 V CA -0.116 62.067 62.300 -0.196 0.000 1.026 11 V CB 0.820 32.480 31.823 -0.271 0.000 0.981 11 V HN 0.527 nan 8.190 nan 0.000 0.480 12 I N 4.958 125.187 120.570 -0.569 0.000 2.509 12 I HA 0.491 4.661 4.170 -0.000 0.000 0.293 12 I C -0.394 175.490 176.117 -0.389 0.000 1.020 12 I CA -0.553 60.490 61.300 -0.429 0.000 1.088 12 I CB 1.729 39.484 38.000 -0.408 0.000 1.267 12 I HN 0.401 nan 8.210 nan 0.000 0.430 13 F N 5.180 125.254 119.950 0.207 0.000 2.397 13 F HA 0.564 5.091 4.527 -0.000 0.000 0.331 13 F C 0.595 176.545 175.800 0.249 0.000 1.090 13 F CA -0.530 57.621 58.000 0.253 0.000 1.065 13 F CB 1.272 40.461 39.000 0.315 0.000 1.184 13 F HN 0.343 nan 8.300 nan 0.000 0.499 14 K N 1.276 121.845 120.400 0.282 0.000 2.512 14 K HA 0.760 5.080 4.320 -0.000 0.000 0.263 14 K C -1.867 174.728 176.600 -0.009 0.000 0.966 14 K CA -1.203 55.038 56.287 -0.076 0.000 0.851 14 K CB 3.012 35.242 32.500 -0.449 0.000 1.395 14 K HN 0.643 nan 8.250 nan 0.000 0.440 15 K N 2.342 122.660 120.400 -0.137 0.000 2.550 15 K HA 0.399 4.719 4.320 -0.000 0.000 0.252 15 K C -1.681 174.845 176.600 -0.123 0.000 0.943 15 K CA -0.630 55.619 56.287 -0.065 0.000 0.806 15 K CB 1.640 34.126 32.500 -0.023 0.000 1.289 15 K HN 0.709 nan 8.250 nan 0.000 0.435 16 I N 3.034 123.554 120.570 -0.083 0.000 2.460 16 I HA 0.231 4.401 4.170 -0.000 0.000 0.298 16 I C 0.500 176.591 176.117 -0.043 0.000 0.989 16 I CA -0.805 60.450 61.300 -0.076 0.000 1.173 16 I CB 1.996 39.957 38.000 -0.065 0.000 1.338 16 I HN 0.733 nan 8.210 nan 0.000 0.456 17 S N 5.598 121.275 115.700 -0.039 0.000 2.589 17 S HA 0.159 4.629 4.470 -0.000 0.000 0.265 17 S C 1.203 175.794 174.600 -0.015 0.000 1.342 17 S CA -0.353 57.835 58.200 -0.020 0.000 1.005 17 S CB 1.202 64.394 63.200 -0.014 0.000 0.909 17 S HN 0.776 nan 8.310 nan 0.000 0.555 18 R N 1.061 121.557 120.500 -0.006 0.000 2.083 18 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 18 R C 1.376 177.671 176.300 -0.008 0.000 1.137 18 R CA 2.258 58.355 56.100 -0.005 0.000 0.951 18 R CB -0.928 29.372 30.300 -0.000 0.000 0.851 18 R HN 0.957 nan 8.270 nan 0.000 0.434 19 D N 0.005 120.400 120.400 -0.008 0.000 2.378 19 D HA -0.096 4.544 4.640 -0.000 0.000 0.227 19 D C -0.143 176.145 176.300 -0.020 0.000 1.012 19 D CA 0.406 54.398 54.000 -0.013 0.000 0.905 19 D CB -0.170 40.624 40.800 -0.011 0.000 0.895 19 D HN 0.253 nan 8.370 nan 0.000 0.532 20 K N -0.855 119.531 120.400 -0.022 0.000 3.129 20 K HA -0.191 4.129 4.320 -0.000 0.000 0.273 20 K C 0.838 177.416 176.600 -0.037 0.000 1.123 20 K CA 0.849 57.119 56.287 -0.029 0.000 0.800 20 K CB -2.366 30.119 32.500 -0.024 0.000 1.238 20 K HN 0.452 nan 8.250 nan 0.000 0.492 21 S N -1.484 114.189 115.700 -0.044 0.000 2.483 21 S HA 0.154 4.624 4.470 -0.000 0.000 0.221 21 S C 0.705 175.258 174.600 -0.078 0.000 1.030 21 S CA 0.032 58.193 58.200 -0.066 0.000 0.925 21 S CB 0.675 63.831 63.200 -0.072 0.000 0.795 21 S HN 0.070 nan 8.310 nan 0.000 0.511 22 V N 2.108 121.986 119.914 -0.060 0.000 2.487 22 V HA 0.698 4.818 4.120 -0.000 0.000 0.298 22 V C -0.507 175.557 176.094 -0.050 0.000 1.028 22 V CA -0.304 61.960 62.300 -0.060 0.000 0.860 22 V CB 1.374 33.159 31.823 -0.063 0.000 0.991 22 V HN 0.463 nan 8.190 nan 0.000 0.427 23 T N 5.698 120.230 114.554 -0.037 0.000 2.949 23 T HA 0.585 4.935 4.350 -0.000 0.000 0.300 23 T C -0.895 173.757 174.700 -0.080 0.000 0.988 23 T CA -0.325 61.721 62.100 -0.089 0.000 0.993 23 T CB 0.966 69.776 68.868 -0.097 0.000 0.984 23 T HN 0.588 nan 8.240 nan 0.000 0.442 24 I N 4.983 125.474 120.570 -0.132 0.000 2.440 24 I HA 0.594 4.764 4.170 -0.000 0.000 0.294 24 I C -1.454 174.597 176.117 -0.110 0.000 0.995 24 I CA -0.951 60.335 61.300 -0.025 0.000 1.306 24 I CB 0.727 38.701 38.000 -0.043 0.000 1.407 24 I HN 0.706 nan 8.210 nan 0.000 0.501 25 Y N 6.715 127.127 120.300 0.187 0.000 2.376 25 Y HA 0.582 5.132 4.550 -0.000 0.000 0.340 25 Y C -0.598 175.449 175.900 0.244 0.000 0.965 25 Y CA -0.587 57.630 58.100 0.196 0.000 1.078 25 Y CB 1.707 40.239 38.460 0.121 0.000 1.193 25 Y HN 0.326 nan 8.280 nan 0.000 0.452 26 L N 1.260 122.739 121.223 0.428 0.000 2.370 26 L HA 0.552 4.891 4.340 -0.000 0.000 0.266 26 L C 1.070 178.187 176.870 0.411 0.000 1.002 26 L CA -0.697 54.394 54.840 0.420 0.000 0.818 26 L CB 2.360 44.724 42.059 0.510 0.000 1.325 26 L HN 0.907 nan 8.230 nan 0.000 0.418 27 G N 1.124 110.116 108.800 0.321 0.000 2.551 27 G HA2 0.063 4.022 3.960 -0.000 0.000 0.216 27 G HA3 0.063 4.022 3.960 -0.000 0.000 0.216 27 G C 0.437 175.545 174.900 0.347 0.000 1.137 27 G CA 0.468 45.721 45.100 0.255 0.000 0.798 27 G HN 0.502 nan 8.290 nan 0.000 0.536 28 K N -1.972 118.605 120.400 0.295 0.000 2.469 28 K HA 0.580 4.900 4.320 -0.000 0.000 0.268 28 K C 0.313 176.921 176.600 0.013 0.000 1.027 28 K CA -0.862 55.452 56.287 0.045 0.000 0.893 28 K CB 1.874 34.107 32.500 -0.446 0.000 1.460 28 K HN -0.181 nan 8.250 nan 0.000 0.449 29 R N 0.069 120.408 120.500 -0.268 0.000 2.287 29 R HA 0.144 4.483 4.340 -0.000 0.000 0.197 29 R C -0.677 175.648 176.300 0.042 0.000 0.900 29 R CA 0.381 56.363 56.100 -0.196 0.000 1.052 29 R CB 0.667 30.486 30.300 -0.801 0.000 1.117 29 R HN 0.529 nan 8.270 nan 0.000 0.568 30 D N 0.061 120.378 120.400 -0.138 0.000 2.492 30 D HA 0.201 4.841 4.640 -0.000 0.000 0.248 30 D C -1.112 175.042 176.300 -0.243 0.000 1.101 30 D CA -0.324 53.630 54.000 -0.077 0.000 0.840 30 D CB 1.534 42.258 40.800 -0.126 0.000 1.209 30 D HN -0.080 nan 8.370 nan 0.000 0.524 31 Y N 0.950 121.232 120.300 -0.029 0.000 2.328 31 Y HA 0.362 4.912 4.550 -0.000 0.000 0.337 31 Y C 0.916 176.756 175.900 -0.101 0.000 1.008 31 Y CA -0.757 57.329 58.100 -0.023 0.000 1.129 31 Y CB 1.087 39.604 38.460 0.094 0.000 1.185 31 Y HN 0.199 nan 8.280 nan 0.000 0.476 32 I N 3.806 124.372 120.570 -0.007 0.000 2.556 32 I HA 0.025 4.195 4.170 -0.000 0.000 0.284 32 I C -0.078 176.060 176.117 0.036 0.000 1.114 32 I CA 0.449 61.754 61.300 0.008 0.000 1.418 32 I CB 0.490 38.377 38.000 -0.189 0.000 1.394 32 I HN 0.570 nan 8.210 nan 0.000 0.552 33 D N 7.040 127.486 120.400 0.077 0.000 2.408 33 D HA 0.143 4.783 4.640 -0.000 0.000 0.261 33 D C -0.605 175.764 176.300 0.116 0.000 1.190 33 D CA -0.472 53.529 54.000 0.001 0.000 0.910 33 D CB 0.470 41.196 40.800 -0.123 0.000 1.097 33 D HN 0.465 nan 8.370 nan 0.000 0.522 34 H N 1.468 120.556 119.070 0.029 0.000 2.467 34 H HA 0.256 4.812 4.556 -0.000 0.000 0.331 34 H C 1.384 176.730 175.328 0.029 0.000 1.120 34 H CA -0.733 55.349 56.048 0.056 0.000 1.270 34 H CB 0.973 30.762 29.762 0.045 0.000 1.466 34 H HN -0.011 nan 8.280 nan 0.000 0.504 35 V N 2.205 122.120 119.914 0.002 0.000 2.280 35 V HA -0.407 3.713 4.120 -0.000 0.000 0.258 35 V C 2.107 178.108 176.094 -0.156 0.000 1.081 35 V CA 2.516 64.782 62.300 -0.056 0.000 1.070 35 V CB -0.873 30.961 31.823 0.018 0.000 0.666 35 V HN 0.684 nan 8.190 nan 0.000 0.450 36 E N 0.885 120.952 120.200 -0.221 0.000 2.068 36 E HA -0.167 4.183 4.350 -0.000 0.000 0.207 36 E C 1.106 177.563 176.600 -0.238 0.000 1.032 36 E CA 2.020 58.300 56.400 -0.199 0.000 0.839 36 E CB -0.145 29.477 29.700 -0.130 0.000 0.758 36 E HN 0.920 nan 8.360 nan 0.000 0.457 37 R N -2.855 117.382 120.500 -0.439 0.000 2.747 37 R HA 0.651 4.990 4.340 -0.000 0.000 0.272 37 R C -1.625 174.524 176.300 -0.251 0.000 1.032 37 R CA -0.820 55.134 56.100 -0.244 0.000 0.896 37 R CB 1.268 31.500 30.300 -0.113 0.000 1.253 37 R HN -0.142 nan 8.270 nan 0.000 0.461 38 V N 0.646 120.505 119.914 -0.091 0.000 2.448 38 V HA 0.311 4.431 4.120 -0.000 0.000 0.295 38 V C -0.095 176.065 176.094 0.109 0.000 1.025 38 V CA -0.759 61.525 62.300 -0.027 0.000 0.859 38 V CB 1.428 33.203 31.823 -0.080 0.000 0.988 38 V HN 0.830 nan 8.190 nan 0.000 0.431 39 E N 7.466 127.751 120.200 0.141 0.000 2.694 39 E HA 0.007 4.357 4.350 -0.000 0.000 0.250 39 E C -2.128 174.692 176.600 0.367 0.000 0.963 39 E CA -0.864 55.666 56.400 0.217 0.000 0.949 39 E CB 0.723 30.535 29.700 0.187 0.000 0.911 39 E HN 0.463 nan 8.360 nan 0.000 0.500 40 P HA 0.041 nan 4.420 nan 0.000 0.276 40 P C -0.750 176.637 177.300 0.145 0.000 1.244 40 P CA -0.422 62.779 63.100 0.169 0.000 0.801 40 P CB 1.070 32.812 31.700 0.070 0.000 1.006 41 V N 3.529 123.365 119.914 -0.130 0.000 2.389 41 V HA 0.180 4.300 4.120 -0.000 0.000 0.264 41 V C 0.472 176.481 176.094 -0.141 0.000 1.049 41 V CA 0.109 62.272 62.300 -0.229 0.000 0.932 41 V CB 0.243 31.788 31.823 -0.463 0.000 1.011 41 V HN 0.676 nan 8.190 nan 0.000 0.475 42 D N 3.739 124.085 120.400 -0.090 0.000 2.481 42 D HA 0.792 5.431 4.640 -0.000 0.000 0.244 42 D C -0.027 176.029 176.300 -0.407 0.000 1.057 42 D CA -0.391 53.423 54.000 -0.311 0.000 0.848 42 D CB 2.658 43.381 40.800 -0.128 0.000 1.388 42 D HN 0.632 nan 8.370 nan 0.000 0.475 43 G N -0.421 107.851 108.800 -0.880 0.000 2.494 43 G HA2 0.579 4.539 3.960 -0.000 0.000 0.308 43 G HA3 0.579 4.539 3.960 -0.000 0.000 0.308 43 G C -1.275 173.372 174.900 -0.422 0.000 1.263 43 G CA -0.180 44.608 45.100 -0.520 0.000 0.840 43 G HN 1.098 nan 8.290 nan 0.000 0.479 44 V N -2.995 117.016 119.914 0.160 0.000 3.114 44 V HA 0.901 5.021 4.120 -0.000 0.000 0.308 44 V C -1.011 175.385 176.094 0.503 0.000 1.168 44 V CA -1.057 61.434 62.300 0.318 0.000 1.015 44 V CB 1.564 33.447 31.823 0.100 0.000 1.050 44 V HN 0.930 nan 8.190 nan 0.000 0.433 45 V N 3.409 123.566 119.914 0.405 0.000 2.448 45 V HA 0.514 4.634 4.120 -0.000 0.000 0.295 45 V C -0.472 175.778 176.094 0.259 0.000 1.025 45 V CA -0.439 62.032 62.300 0.286 0.000 0.859 45 V CB 1.440 33.344 31.823 0.136 0.000 0.988 45 V HN 0.906 nan 8.190 nan 0.000 0.431 46 L N 7.203 128.574 121.223 0.247 0.000 2.260 46 L HA 0.623 4.963 4.340 -0.000 0.000 0.289 46 L C -0.309 176.615 176.870 0.090 0.000 1.057 46 L CA 0.430 55.373 54.840 0.171 0.000 0.811 46 L CB 1.342 43.541 42.059 0.232 0.000 1.184 46 L HN 0.431 nan 8.230 nan 0.000 0.429 47 V N 4.303 124.259 119.914 0.069 0.000 2.732 47 V HA 0.349 4.469 4.120 -0.000 0.000 0.310 47 V C -0.362 175.691 176.094 -0.070 0.000 1.053 47 V CA -0.760 61.501 62.300 -0.065 0.000 0.957 47 V CB 1.826 33.507 31.823 -0.238 0.000 1.018 47 V HN 0.755 nan 8.190 nan 0.000 0.452 48 D N 4.754 125.087 120.400 -0.112 0.000 2.428 48 D HA 0.272 4.912 4.640 -0.000 0.000 0.221 48 D C -1.834 174.396 176.300 -0.118 0.000 1.123 48 D CA -1.815 52.136 54.000 -0.082 0.000 0.869 48 D CB 2.124 42.883 40.800 -0.068 0.000 1.032 48 D HN 0.160 nan 8.370 nan 0.000 0.506 49 P HA -0.201 nan 4.420 nan 0.000 0.218 49 P C 1.049 178.316 177.300 -0.055 0.000 1.154 49 P CA 1.192 64.257 63.100 -0.059 0.000 0.872 49 P CB 0.465 32.176 31.700 0.017 0.000 0.790 50 E N -0.567 119.608 120.200 -0.041 0.000 2.047 50 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 50 E C 1.777 178.347 176.600 -0.051 0.000 0.987 50 E CA 1.057 57.437 56.400 -0.033 0.000 0.799 50 E CB -0.967 28.718 29.700 -0.026 0.000 0.752 50 E HN 0.158 nan 8.360 nan 0.000 0.449 51 L N -0.656 120.526 121.223 -0.069 0.000 2.552 51 L HA 0.027 4.367 4.340 -0.000 0.000 0.227 51 L C 1.676 178.485 176.870 -0.101 0.000 1.146 51 L CA 0.076 54.870 54.840 -0.076 0.000 0.858 51 L CB 0.259 42.275 42.059 -0.071 0.000 0.969 51 L HN 0.025 nan 8.230 nan 0.000 0.451 52 V N -0.897 118.930 119.914 -0.145 0.000 3.661 52 V HA 0.033 4.153 4.120 -0.000 0.000 0.271 52 V C 1.167 177.199 176.094 -0.104 0.000 1.315 52 V CA -0.088 62.086 62.300 -0.209 0.000 1.072 52 V CB 0.178 31.710 31.823 -0.484 0.000 0.830 52 V HN 0.238 nan 8.190 nan 0.000 0.443 53 K N 0.900 121.275 120.400 -0.042 0.000 2.511 53 K HA 0.042 4.362 4.320 -0.000 0.000 0.277 53 K C 1.228 177.860 176.600 0.052 0.000 1.025 53 K CA 1.136 57.445 56.287 0.036 0.000 1.112 53 K CB -0.145 32.364 32.500 0.015 0.000 0.859 53 K HN 0.507 nan 8.250 nan 0.000 0.485 54 G N 3.040 111.899 108.800 0.098 0.000 2.168 54 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.257 54 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.257 54 G C -0.320 174.636 174.900 0.092 0.000 0.997 54 G CA 0.770 45.916 45.100 0.077 0.000 0.708 54 G HN 0.591 nan 8.290 nan 0.000 0.520 55 K N -0.606 119.868 120.400 0.124 0.000 2.306 55 K HA 0.725 5.045 4.320 -0.000 0.000 0.236 55 K C 0.240 176.918 176.600 0.130 0.000 1.013 55 K CA -1.031 55.326 56.287 0.116 0.000 0.857 55 K CB 1.376 33.918 32.500 0.070 0.000 1.214 55 K HN 0.113 nan 8.250 nan 0.000 0.449 56 R N 0.818 121.350 120.500 0.053 0.000 2.562 56 R HA 0.490 4.830 4.340 -0.000 0.000 0.298 56 R C -1.019 175.112 176.300 -0.281 0.000 0.961 56 R CA -0.888 55.135 56.100 -0.128 0.000 0.881 56 R CB 1.737 31.939 30.300 -0.164 0.000 1.159 56 R HN 0.240 nan 8.270 nan 0.000 0.450 57 V N 3.958 123.603 119.914 -0.449 0.000 2.487 57 V HA 0.451 4.571 4.120 -0.000 0.000 0.298 57 V C -1.106 174.541 176.094 -0.745 0.000 1.028 57 V CA -0.773 61.247 62.300 -0.466 0.000 0.860 57 V CB 1.251 32.915 31.823 -0.265 0.000 0.991 57 V HN 0.612 nan 8.190 nan 0.000 0.427 58 Y N 2.641 122.564 120.300 -0.627 0.000 2.598 58 Y HA 0.813 5.362 4.550 -0.000 0.000 0.340 58 Y C -0.131 175.340 175.900 -0.717 0.000 1.038 58 Y CA -1.226 56.492 58.100 -0.636 0.000 1.100 58 Y CB 2.115 40.177 38.460 -0.663 0.000 1.281 58 Y HN 0.321 nan 8.280 nan 0.000 0.488 59 V N 1.395 121.136 119.914 -0.288 0.000 2.638 59 V HA 0.636 4.756 4.120 -0.000 0.000 0.306 59 V C -0.805 175.187 176.094 -0.170 0.000 1.052 59 V CA -0.851 61.244 62.300 -0.342 0.000 0.885 59 V CB 1.661 33.067 31.823 -0.694 0.000 0.999 59 V HN 0.827 nan 8.190 nan 0.000 0.424 60 S N 4.638 120.293 115.700 -0.075 0.000 2.542 60 S HA 0.861 5.331 4.470 -0.000 0.000 0.293 60 S C -1.200 173.293 174.600 -0.179 0.000 1.089 60 S CA -0.755 57.352 58.200 -0.155 0.000 0.961 60 S CB 2.114 65.286 63.200 -0.047 0.000 1.062 60 S HN 0.731 nan 8.310 nan 0.000 0.483 61 L N 2.242 123.293 121.223 -0.287 0.000 2.305 61 L HA 0.751 5.091 4.340 -0.000 0.000 0.284 61 L C -0.827 175.958 176.870 -0.141 0.000 1.013 61 L CA 0.293 55.042 54.840 -0.152 0.000 0.819 61 L CB 1.416 43.392 42.059 -0.138 0.000 1.227 61 L HN 0.933 nan 8.230 nan 0.000 0.417 62 T N 3.814 118.380 114.554 0.021 0.000 2.861 62 T HA 0.438 4.788 4.350 -0.000 0.000 0.287 62 T C -1.227 173.540 174.700 0.112 0.000 1.003 62 T CA -0.429 61.723 62.100 0.086 0.000 0.977 62 T CB 1.299 70.237 68.868 0.118 0.000 0.996 62 T HN 0.726 nan 8.240 nan 0.000 0.448 63 C N 3.366 122.730 119.300 0.106 0.000 2.364 63 C HA 0.912 5.372 4.460 -0.000 0.000 0.324 63 C C -0.338 174.610 174.990 -0.070 0.000 1.234 63 C CA -0.111 58.823 59.018 -0.140 0.000 1.417 63 C CB -1.181 26.495 27.740 -0.106 0.000 2.101 63 C HN 1.114 nan 8.230 nan 0.000 0.466 64 A N 4.850 127.591 122.820 -0.132 0.000 2.539 64 A HA 0.793 5.113 4.320 -0.000 0.000 0.296 64 A C -1.372 176.225 177.584 0.022 0.000 1.073 64 A CA -0.456 51.569 52.037 -0.020 0.000 0.700 64 A CB 1.052 20.035 19.000 -0.028 0.000 1.296 64 A HN 1.159 nan 8.150 nan 0.000 0.405 65 F N 2.183 122.115 119.950 -0.030 0.000 2.404 65 F HA 0.744 5.271 4.527 -0.000 0.000 0.339 65 F C 0.507 176.332 175.800 0.042 0.000 1.105 65 F CA -0.424 57.600 58.000 0.040 0.000 1.087 65 F CB 1.127 40.201 39.000 0.124 0.000 1.143 65 F HN 0.721 nan 8.300 nan 0.000 0.491 66 R N 4.788 124.781 120.500 -0.846 0.000 2.744 66 R HA 0.568 4.908 4.340 -0.000 0.000 0.279 66 R C -2.423 173.471 176.300 -0.677 0.000 0.977 66 R CA -0.984 54.779 56.100 -0.561 0.000 0.906 66 R CB 1.935 32.051 30.300 -0.308 0.000 1.197 66 R HN 0.761 nan 8.270 nan 0.000 0.463 67 Y N 0.626 120.719 120.300 -0.344 0.000 2.361 67 Y HA 0.588 5.138 4.550 -0.000 0.000 0.328 67 Y C -0.765 175.078 175.900 -0.095 0.000 1.044 67 Y CA 0.225 58.231 58.100 -0.156 0.000 1.085 67 Y CB 2.559 41.077 38.460 0.097 0.000 1.194 67 Y HN 1.126 nan 8.280 nan 0.000 0.438 68 G N 4.774 113.409 108.800 -0.275 0.000 2.249 68 G HA2 0.022 3.982 3.960 -0.000 0.000 0.252 68 G HA3 0.022 3.982 3.960 -0.000 0.000 0.252 68 G C -0.461 174.346 174.900 -0.155 0.000 1.697 68 G CA -0.819 44.214 45.100 -0.110 0.000 0.916 68 G HN 0.460 nan 8.290 nan 0.000 0.725 69 Q N 0.004 119.739 119.800 -0.108 0.000 2.045 69 Q HA -0.182 4.158 4.340 -0.000 0.000 0.215 69 Q C 1.139 177.089 176.000 -0.083 0.000 1.026 69 Q CA 1.748 57.498 55.803 -0.089 0.000 0.885 69 Q CB -0.172 28.542 28.738 -0.040 0.000 0.984 69 Q HN 0.741 nan 8.270 nan 0.000 0.414 70 E N 2.715 122.877 120.200 -0.063 0.000 2.220 70 E HA 0.022 4.372 4.350 -0.000 0.000 0.272 70 E C -0.316 176.238 176.600 -0.076 0.000 1.099 70 E CA -0.005 56.359 56.400 -0.058 0.000 0.907 70 E CB 0.105 29.781 29.700 -0.041 0.000 1.022 70 E HN 0.285 nan 8.360 nan 0.000 0.428 71 D N 2.061 122.413 120.400 -0.080 0.000 2.329 71 D HA 0.185 4.825 4.640 -0.000 0.000 0.246 71 D C 1.178 177.439 176.300 -0.065 0.000 1.111 71 D CA -0.740 53.207 54.000 -0.089 0.000 0.941 71 D CB 1.486 42.233 40.800 -0.090 0.000 1.169 71 D HN 0.443 nan 8.370 nan 0.000 0.441 72 I N -1.319 119.210 120.570 -0.067 0.000 5.666 72 I HA -0.319 3.851 4.170 -0.000 0.000 0.126 72 I C -1.205 174.882 176.117 -0.049 0.000 1.815 72 I CA 0.391 61.665 61.300 -0.044 0.000 2.038 72 I CB -2.133 35.858 38.000 -0.014 0.000 3.374 72 I HN 0.570 nan 8.210 nan 0.000 0.169 73 D N -0.545 119.815 120.400 -0.068 0.000 4.520 73 D HA 0.015 4.655 4.640 -0.000 0.000 0.245 73 D C -0.234 176.034 176.300 -0.052 0.000 1.068 73 D CA 0.731 54.691 54.000 -0.067 0.000 1.211 73 D CB -0.270 40.489 40.800 -0.067 0.000 0.818 73 D HN 0.190 nan 8.370 nan 0.000 0.392 74 V N 1.737 121.621 119.914 -0.050 0.000 3.240 74 V HA 0.453 4.573 4.120 -0.000 0.000 0.306 74 V C 0.859 176.931 176.094 -0.036 0.000 1.227 74 V CA -1.230 61.047 62.300 -0.039 0.000 1.047 74 V CB 1.589 33.391 31.823 -0.035 0.000 1.203 74 V HN 0.615 nan 8.190 nan 0.000 0.471 75 M N 2.613 122.196 119.600 -0.028 0.000 2.474 75 M HA 0.158 4.638 4.480 -0.000 0.000 0.352 75 M C 0.837 177.124 176.300 -0.022 0.000 1.690 75 M CA 1.343 56.629 55.300 -0.024 0.000 1.112 75 M CB -1.029 31.561 32.600 -0.017 0.000 2.062 75 M HN 1.125 nan 8.290 nan 0.000 0.461 76 G N 5.529 114.314 108.800 -0.024 0.000 2.367 76 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.295 76 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.295 76 G C -0.385 174.504 174.900 -0.018 0.000 1.019 76 G CA 0.118 45.207 45.100 -0.019 0.000 1.224 76 G HN 0.840 nan 8.290 nan 0.000 0.510 77 L N 0.709 121.912 121.223 -0.035 0.000 2.490 77 L HA 0.416 4.756 4.340 -0.000 0.000 0.274 77 L C 1.699 178.555 176.870 -0.023 0.000 1.201 77 L CA 1.265 56.081 54.840 -0.040 0.000 0.869 77 L CB 0.707 42.725 42.059 -0.069 0.000 1.123 77 L HN 0.280 nan 8.230 nan 0.000 0.484 78 S N 3.837 119.537 115.700 -0.000 0.000 2.359 78 S HA -0.055 4.415 4.470 -0.000 0.000 0.224 78 S C 0.144 174.730 174.600 -0.024 0.000 1.035 78 S CA 1.338 59.546 58.200 0.014 0.000 1.018 78 S CB -0.252 62.988 63.200 0.068 0.000 0.876 78 S HN 0.570 nan 8.310 nan 0.000 0.448 79 F N 0.100 119.887 119.950 -0.271 0.000 2.631 79 F HA 0.649 5.176 4.527 -0.000 0.000 0.308 79 F C -0.829 174.893 175.800 -0.131 0.000 1.097 79 F CA -1.153 56.667 58.000 -0.300 0.000 0.952 79 F CB 1.518 40.071 39.000 -0.745 0.000 1.307 79 F HN -0.151 nan 8.300 nan 0.000 0.450 80 R N 3.967 123.839 120.500 -1.046 0.000 2.561 80 R HA 0.615 4.954 4.340 -0.000 0.000 0.266 80 R C -2.244 173.569 176.300 -0.811 0.000 1.091 80 R CA -0.855 54.842 56.100 -0.671 0.000 0.927 80 R CB 1.786 31.881 30.300 -0.341 0.000 1.240 80 R HN 0.823 nan 8.270 nan 0.000 0.449 81 R N 2.784 123.085 120.500 -0.333 0.000 2.502 81 R HA 0.289 4.629 4.340 -0.000 0.000 0.298 81 R C -1.370 174.937 176.300 0.011 0.000 1.018 81 R CA -0.492 55.526 56.100 -0.137 0.000 0.899 81 R CB 1.268 31.619 30.300 0.085 0.000 1.181 81 R HN 0.588 nan 8.270 nan 0.000 0.444 82 D N 5.126 125.517 120.400 -0.015 0.000 2.389 82 D HA 0.098 4.737 4.640 -0.000 0.000 0.247 82 D C 0.661 177.019 176.300 0.097 0.000 1.128 82 D CA 0.138 54.158 54.000 0.033 0.000 0.884 82 D CB 1.396 42.200 40.800 0.006 0.000 1.194 82 D HN 0.553 nan 8.370 nan 0.000 0.441 83 L N 1.430 122.741 121.223 0.146 0.000 2.642 83 L HA 0.174 4.514 4.340 -0.000 0.000 0.233 83 L C -0.158 176.940 176.870 0.380 0.000 1.077 83 L CA -0.070 54.905 54.840 0.226 0.000 0.879 83 L CB 0.394 42.577 42.059 0.205 0.000 1.151 83 L HN 0.391 nan 8.230 nan 0.000 0.495 84 Y N -0.053 120.353 120.300 0.176 0.000 2.521 84 Y HA 0.484 5.034 4.550 -0.000 0.000 0.326 84 Y C -2.077 173.955 175.900 0.219 0.000 1.176 84 Y CA -1.734 56.495 58.100 0.214 0.000 1.079 84 Y CB 1.666 40.246 38.460 0.201 0.000 1.341 84 Y HN -0.106 nan 8.280 nan 0.000 0.456 85 F N 4.321 123.826 119.950 -0.742 0.000 2.608 85 F HA 0.760 5.287 4.527 -0.000 0.000 0.309 85 F C -1.519 173.840 175.800 -0.736 0.000 1.103 85 F CA -0.250 57.412 58.000 -0.563 0.000 0.954 85 F CB 1.988 40.833 39.000 -0.258 0.000 1.267 85 F HN 0.489 nan 8.300 nan 0.000 0.444 86 S N 4.537 119.343 115.700 -1.491 0.000 2.535 86 S HA 0.489 4.959 4.470 -0.000 0.000 0.272 86 S C -1.951 172.089 174.600 -0.933 0.000 1.149 86 S CA -0.462 57.200 58.200 -0.897 0.000 0.888 86 S CB 1.712 64.630 63.200 -0.470 0.000 1.110 86 S HN 0.919 nan 8.310 nan 0.000 0.463 87 Q N 2.267 121.787 119.800 -0.466 0.000 2.421 87 Q HA 0.815 5.155 4.340 -0.000 0.000 0.280 87 Q C -1.949 174.016 176.000 -0.059 0.000 1.085 87 Q CA -0.757 54.902 55.803 -0.240 0.000 0.807 87 Q CB 2.255 30.961 28.738 -0.054 0.000 1.405 87 Q HN 0.565 nan 8.270 nan 0.000 0.419 88 V N 2.116 122.034 119.914 0.006 0.000 2.888 88 V HA 0.283 4.403 4.120 -0.000 0.000 0.309 88 V C -1.034 175.141 176.094 0.135 0.000 1.114 88 V CA -0.721 61.620 62.300 0.068 0.000 0.940 88 V CB 2.182 34.038 31.823 0.054 0.000 1.021 88 V HN 0.798 nan 8.190 nan 0.000 0.426 89 Q N 2.132 122.011 119.800 0.132 0.000 2.267 89 Q HA 0.502 4.842 4.340 -0.000 0.000 0.255 89 Q C -0.169 175.771 176.000 -0.100 0.000 0.923 89 Q CA 0.003 55.785 55.803 -0.035 0.000 0.925 89 Q CB 1.858 30.560 28.738 -0.059 0.000 1.195 89 Q HN 0.638 nan 8.270 nan 0.000 0.417 90 V N 5.393 125.192 119.914 -0.191 0.000 3.572 90 V HA 0.355 4.475 4.120 -0.000 0.000 0.260 90 V C -0.927 175.075 176.094 -0.153 0.000 1.324 90 V CA 0.220 62.476 62.300 -0.073 0.000 1.068 90 V CB 0.548 32.359 31.823 -0.019 0.000 0.837 90 V HN 0.730 nan 8.190 nan 0.000 0.450 91 F N 1.452 121.135 119.950 -0.445 0.000 2.605 91 F HA 0.694 5.221 4.527 -0.000 0.000 0.320 91 F C -2.912 172.622 175.800 -0.444 0.000 1.159 91 F CA -2.443 55.229 58.000 -0.547 0.000 0.999 91 F CB 1.807 40.449 39.000 -0.597 0.000 1.258 91 F HN -0.095 nan 8.300 nan 0.000 0.464 92 P HA 0.125 nan 4.420 nan 0.000 0.269 92 P C -2.592 174.284 177.300 -0.706 0.000 1.217 92 P CA -0.608 61.725 63.100 -1.279 0.000 0.783 92 P CB -0.027 31.227 31.700 -0.743 0.000 0.898 93 P HA -0.018 nan 4.420 nan 0.000 0.268 93 P C -0.781 176.433 177.300 -0.143 0.000 1.205 93 P CA 0.448 63.429 63.100 -0.198 0.000 0.771 93 P CB 0.421 32.142 31.700 0.036 0.000 0.858 94 V N 3.092 122.963 119.914 -0.073 0.000 2.427 94 V HA 0.530 4.650 4.120 -0.000 0.000 0.286 94 V C 1.240 177.324 176.094 -0.016 0.000 1.034 94 V CA 0.717 62.987 62.300 -0.051 0.000 0.893 94 V CB 0.358 32.162 31.823 -0.032 0.000 0.982 94 V HN 1.106 nan 8.190 nan 0.000 0.452 95 G N 4.162 112.951 108.800 -0.019 0.000 2.591 95 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.278 95 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.278 95 G C 0.451 175.351 174.900 0.001 0.000 1.293 95 G CA -0.106 44.990 45.100 -0.006 0.000 0.930 95 G HN 1.884 nan 8.290 nan 0.000 0.562 96 A N -0.068 122.756 122.820 0.006 0.000 2.513 96 A HA 0.495 4.814 4.320 -0.000 0.000 0.274 96 A C 1.148 178.742 177.584 0.016 0.000 1.115 96 A CA 1.576 53.619 52.037 0.009 0.000 0.792 96 A CB -0.479 18.526 19.000 0.009 0.000 1.053 96 A HN 2.346 nan 8.150 nan 0.000 0.515 97 S N 3.066 118.779 115.700 0.021 0.000 2.448 97 S HA 0.611 5.081 4.470 -0.000 0.000 0.279 97 S C 0.251 174.866 174.600 0.024 0.000 1.195 97 S CA 0.290 58.511 58.200 0.035 0.000 1.051 97 S CB 0.077 63.309 63.200 0.054 0.000 0.948 97 S HN 1.970 nan 8.310 nan 0.000 0.493 98 G N 2.290 111.104 108.800 0.025 0.000 2.556 98 G HA2 0.602 4.562 3.960 -0.000 0.000 0.294 98 G HA3 0.602 4.562 3.960 -0.000 0.000 0.294 98 G C -0.442 174.465 174.900 0.013 0.000 1.516 98 G CA -0.300 44.808 45.100 0.012 0.000 0.824 98 G HN 1.104 nan 8.290 nan 0.000 0.535 99 A N 0.187 123.009 122.820 0.003 0.000 2.364 99 A HA 0.694 5.014 4.320 -0.000 0.000 0.258 99 A C 1.180 178.765 177.584 0.002 0.000 1.131 99 A CA 1.116 53.153 52.037 -0.000 0.000 0.800 99 A CB 0.355 19.352 19.000 -0.007 0.000 1.086 99 A HN 1.159 nan 8.150 nan 0.000 0.508 100 T N -0.668 113.884 114.554 -0.003 0.000 2.993 100 T HA 0.201 4.551 4.350 -0.000 0.000 0.260 100 T C 0.108 174.809 174.700 0.002 0.000 0.939 100 T CA 0.751 62.852 62.100 0.001 0.000 0.886 100 T CB 0.220 69.087 68.868 -0.000 0.000 1.209 100 T HN 0.684 nan 8.240 nan 0.000 0.518 101 T N 1.667 116.219 114.554 -0.003 0.000 2.887 101 T HA 0.392 4.742 4.350 -0.000 0.000 0.288 101 T C 0.773 175.484 174.700 0.018 0.000 1.021 101 T CA -0.881 61.223 62.100 0.007 0.000 1.000 101 T CB 2.298 71.165 68.868 -0.002 0.000 1.034 101 T HN -0.153 nan 8.240 nan 0.000 0.467 102 R N 0.867 121.387 120.500 0.034 0.000 2.091 102 R HA -0.065 4.274 4.340 -0.000 0.000 0.238 102 R C 2.147 178.490 176.300 0.073 0.000 1.136 102 R CA 0.914 57.044 56.100 0.049 0.000 0.959 102 R CB -1.021 29.312 30.300 0.056 0.000 0.856 102 R HN 0.479 nan 8.270 nan 0.000 0.437 103 L N 1.850 123.121 121.223 0.079 0.000 2.042 103 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 103 L C 2.243 179.118 176.870 0.007 0.000 1.076 103 L CA 1.786 56.675 54.840 0.081 0.000 0.749 103 L CB -0.433 41.664 42.059 0.065 0.000 0.893 103 L HN 0.169 nan 8.230 nan 0.000 0.432 104 Q N -0.383 119.408 119.800 -0.016 0.000 2.020 104 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 104 Q C 2.022 178.005 176.000 -0.028 0.000 0.982 104 Q CA 1.963 57.739 55.803 -0.045 0.000 0.838 104 Q CB -0.328 28.380 28.738 -0.051 0.000 0.899 104 Q HN 0.803 nan 8.270 nan 0.000 0.423 105 E N 0.347 120.545 120.200 -0.002 0.000 2.153 105 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 105 E C 2.011 178.626 176.600 0.025 0.000 0.988 105 E CA 1.419 57.821 56.400 0.003 0.000 0.811 105 E CB -0.228 29.478 29.700 0.010 0.000 0.746 105 E HN 0.052 nan 8.360 nan 0.000 0.466 106 S N 0.243 115.984 115.700 0.069 0.000 2.383 106 S HA -0.022 4.448 4.470 -0.000 0.000 0.227 106 S C 1.905 176.617 174.600 0.186 0.000 1.026 106 S CA 0.653 58.949 58.200 0.161 0.000 0.981 106 S CB -0.174 63.190 63.200 0.272 0.000 0.818 106 S HN 0.314 nan 8.310 nan 0.000 0.472 107 L N 0.764 121.993 121.223 0.009 0.000 2.109 107 L HA 0.074 4.413 4.340 -0.000 0.000 0.207 107 L C 2.246 179.044 176.870 -0.121 0.000 1.086 107 L CA 0.889 55.627 54.840 -0.169 0.000 0.760 107 L CB -0.365 41.506 42.059 -0.314 0.000 0.910 107 L HN 0.334 nan 8.230 nan 0.000 0.437 108 I N -0.196 120.320 120.570 -0.091 0.000 2.286 108 I HA -0.318 3.852 4.170 -0.000 0.000 0.248 108 I C 2.635 178.710 176.117 -0.070 0.000 1.115 108 I CA 1.240 62.478 61.300 -0.104 0.000 1.392 108 I CB -0.251 37.693 38.000 -0.093 0.000 1.065 108 I HN 0.248 nan 8.210 nan 0.000 0.418 109 K N 1.636 122.024 120.400 -0.020 0.000 1.991 109 K HA -0.273 4.047 4.320 -0.000 0.000 0.212 109 K C 2.218 178.825 176.600 0.011 0.000 1.049 109 K CA 1.940 58.228 56.287 0.001 0.000 0.932 109 K CB -0.088 32.431 32.500 0.031 0.000 0.717 109 K HN 0.053 nan 8.250 nan 0.000 0.441 110 K N -0.170 120.264 120.400 0.058 0.000 2.288 110 K HA -0.073 4.247 4.320 -0.000 0.000 0.201 110 K C 1.723 178.324 176.600 0.002 0.000 1.048 110 K CA 0.610 56.946 56.287 0.082 0.000 0.956 110 K CB 0.154 32.798 32.500 0.241 0.000 0.746 110 K HN 0.072 nan 8.250 nan 0.000 0.461 111 L N -0.353 120.818 121.223 -0.085 0.000 2.307 111 L HA 0.298 4.638 4.340 -0.000 0.000 0.211 111 L C 0.885 177.671 176.870 -0.139 0.000 1.099 111 L CA 1.361 56.092 54.840 -0.183 0.000 0.816 111 L CB 0.373 42.226 42.059 -0.344 0.000 0.952 111 L HN 0.445 nan 8.230 nan 0.000 0.455 112 G N -2.451 106.283 108.800 -0.109 0.000 2.343 112 G HA2 0.155 4.115 3.960 -0.000 0.000 0.465 112 G HA3 0.155 4.115 3.960 -0.000 0.000 0.465 112 G C 0.210 175.039 174.900 -0.119 0.000 1.282 112 G CA -0.163 44.880 45.100 -0.094 0.000 0.996 112 G HN 0.157 nan 8.290 nan 0.000 0.521 113 A N -0.681 122.080 122.820 -0.099 0.000 2.169 113 A HA 0.224 4.544 4.320 -0.000 0.000 0.212 113 A C 1.421 178.893 177.584 -0.186 0.000 1.153 113 A CA 1.527 53.491 52.037 -0.121 0.000 0.756 113 A CB -0.196 18.770 19.000 -0.057 0.000 0.813 113 A HN 0.542 nan 8.150 nan 0.000 0.471 114 N N 1.173 119.793 118.700 -0.134 0.000 2.376 114 N HA 0.045 4.785 4.740 -0.000 0.000 0.249 114 N C -0.321 175.113 175.510 -0.127 0.000 1.140 114 N CA 0.649 53.656 53.050 -0.073 0.000 0.870 114 N CB 0.453 38.967 38.487 0.045 0.000 1.124 114 N HN 0.544 nan 8.380 nan 0.000 0.505 115 T N -1.844 112.490 114.554 -0.367 0.000 2.807 115 T HA 0.558 4.908 4.350 -0.000 0.000 0.279 115 T C -0.731 173.709 174.700 -0.433 0.000 0.993 115 T CA -0.533 61.437 62.100 -0.218 0.000 0.970 115 T CB 1.044 69.809 68.868 -0.172 0.000 0.950 115 T HN -0.054 nan 8.240 nan 0.000 0.441 116 Y N 2.937 123.289 120.300 0.087 0.000 2.446 116 Y HA 0.614 5.164 4.550 -0.000 0.000 0.345 116 Y C -2.326 173.649 175.900 0.126 0.000 0.984 116 Y CA -2.697 55.462 58.100 0.099 0.000 1.058 116 Y CB 2.094 40.631 38.460 0.129 0.000 1.220 116 Y HN 0.514 nan 8.280 nan 0.000 0.455 117 P HA 0.389 nan 4.420 nan 0.000 0.278 117 P C -1.201 176.243 177.300 0.241 0.000 1.258 117 P CA -0.221 62.965 63.100 0.144 0.000 0.811 117 P CB 1.442 33.167 31.700 0.042 0.000 1.063 118 F N -0.373 119.606 119.950 0.048 0.000 2.665 118 F HA 0.695 5.222 4.527 -0.000 0.000 0.308 118 F C -2.278 173.528 175.800 0.010 0.000 1.112 118 F CA -1.342 56.672 58.000 0.023 0.000 0.972 118 F CB 1.322 40.328 39.000 0.010 0.000 1.295 118 F HN 0.197 nan 8.300 nan 0.000 0.440 119 L N 4.660 125.927 121.223 0.074 0.000 2.491 119 L HA 0.600 4.940 4.340 -0.000 0.000 0.267 119 L C -2.107 174.790 176.870 0.044 0.000 0.971 119 L CA -0.585 54.232 54.840 -0.037 0.000 0.857 119 L CB 1.402 43.428 42.059 -0.055 0.000 1.226 119 L HN 0.721 nan 8.230 nan 0.000 0.408 120 L N 3.980 125.219 121.223 0.027 0.000 2.295 120 L HA 0.638 4.978 4.340 -0.000 0.000 0.285 120 L C 0.517 177.274 176.870 -0.188 0.000 1.035 120 L CA -0.098 54.707 54.840 -0.057 0.000 0.806 120 L CB 1.613 43.621 42.059 -0.085 0.000 1.214 120 L HN 0.738 nan 8.230 nan 0.000 0.426 121 T N -0.332 114.135 114.554 -0.146 0.000 2.952 121 T HA 0.693 5.043 4.350 -0.000 0.000 0.286 121 T C -0.268 174.271 174.700 -0.269 0.000 1.024 121 T CA -0.551 61.452 62.100 -0.161 0.000 1.029 121 T CB 1.246 70.096 68.868 -0.030 0.000 1.094 121 T HN 0.072 nan 8.240 nan 0.000 0.515 122 F N 2.320 122.189 119.950 -0.136 0.000 2.421 122 F HA 0.530 5.057 4.527 -0.000 0.000 0.337 122 F C -1.432 174.140 175.800 -0.380 0.000 1.105 122 F CA -1.977 55.839 58.000 -0.306 0.000 1.049 122 F CB 1.216 40.080 39.000 -0.226 0.000 1.139 122 F HN 0.499 nan 8.300 nan 0.000 0.479 123 P HA 0.138 nan 4.420 nan 0.000 0.289 123 P C -0.427 176.633 177.300 -0.400 0.000 1.299 123 P CA -0.226 62.586 63.100 -0.480 0.000 0.766 123 P CB 0.944 32.080 31.700 -0.940 0.000 1.226 124 D N -2.165 118.048 120.400 -0.312 0.000 2.369 124 D HA -0.045 4.595 4.640 -0.000 0.000 0.211 124 D C 0.665 176.922 176.300 -0.071 0.000 1.077 124 D CA 0.114 54.025 54.000 -0.148 0.000 0.842 124 D CB -0.987 39.793 40.800 -0.033 0.000 0.947 124 D HN 0.460 nan 8.370 nan 0.000 0.509 125 Y N -1.075 119.237 120.300 0.019 0.000 2.708 125 Y HA 0.542 5.091 4.550 -0.000 0.000 0.287 125 Y C -0.490 175.447 175.900 0.062 0.000 1.145 125 Y CA -1.384 56.740 58.100 0.040 0.000 1.249 125 Y CB -0.231 38.258 38.460 0.049 0.000 1.152 125 Y HN -0.240 nan 8.280 nan 0.000 0.532 126 L N 3.865 125.085 121.223 -0.005 0.000 2.331 126 L HA 0.626 4.966 4.340 -0.000 0.000 0.275 126 L C -2.059 174.897 176.870 0.144 0.000 1.022 126 L CA -2.804 52.103 54.840 0.111 0.000 0.812 126 L CB 1.396 43.503 42.059 0.080 0.000 1.257 126 L HN 0.018 nan 8.230 nan 0.000 0.435 127 P HA 0.229 nan 4.420 nan 0.000 0.277 127 P C -0.732 176.718 177.300 0.249 0.000 1.276 127 P CA -0.429 62.790 63.100 0.199 0.000 0.788 127 P CB 0.931 32.755 31.700 0.206 0.000 1.114 128 C N -1.445 117.966 119.300 0.185 0.000 2.451 128 C HA 0.376 4.836 4.460 -0.000 0.000 0.391 128 C C 0.850 175.995 174.990 0.259 0.000 1.286 128 C CA -0.204 58.883 59.018 0.114 0.000 1.935 128 C CB 0.943 28.705 27.740 0.036 0.000 2.188 128 C HN 0.513 nan 8.230 nan 0.000 0.523 129 S N 0.632 116.441 115.700 0.183 0.000 2.515 129 S HA 0.358 4.827 4.470 -0.000 0.000 0.285 129 S C -0.474 174.241 174.600 0.192 0.000 1.265 129 S CA 0.074 58.437 58.200 0.272 0.000 1.079 129 S CB 0.154 63.460 63.200 0.177 0.000 0.877 129 S HN 0.673 nan 8.310 nan 0.000 0.493 130 V N 6.833 126.865 119.914 0.196 0.000 2.852 130 V HA 0.774 4.894 4.120 -0.000 0.000 0.300 130 V C -1.204 174.956 176.094 0.111 0.000 1.205 130 V CA -0.802 61.580 62.300 0.135 0.000 0.940 130 V CB 1.693 33.596 31.823 0.133 0.000 1.047 130 V HN 0.969 nan 8.190 nan 0.000 0.429 131 M N 6.965 126.600 119.600 0.058 0.000 2.732 131 M HA 0.807 5.287 4.480 -0.000 0.000 0.272 131 M C -1.966 174.310 176.300 -0.039 0.000 1.203 131 M CA -0.885 54.424 55.300 0.014 0.000 0.841 131 M CB 2.211 34.815 32.600 0.007 0.000 1.685 131 M HN 0.903 nan 8.290 nan 0.000 0.492 132 L N -0.672 120.500 121.223 -0.084 0.000 2.568 132 L HA 0.738 5.078 4.340 -0.000 0.000 0.257 132 L C -2.002 174.793 176.870 -0.125 0.000 1.024 132 L CA -0.642 54.118 54.840 -0.134 0.000 0.854 132 L CB 2.815 44.717 42.059 -0.262 0.000 1.460 132 L HN 0.982 nan 8.230 nan 0.000 0.409 133 Q N 1.645 121.381 119.800 -0.105 0.000 2.321 133 Q HA 0.549 4.889 4.340 -0.000 0.000 0.270 133 Q C -2.563 173.418 176.000 -0.031 0.000 1.032 133 Q CA -1.797 53.963 55.803 -0.072 0.000 0.784 133 Q CB 2.768 31.472 28.738 -0.057 0.000 1.264 133 Q HN 0.465 nan 8.270 nan 0.000 0.448 134 P HA -0.084 nan 4.420 nan 0.000 0.267 134 P C -1.358 175.985 177.300 0.072 0.000 1.195 134 P CA 0.325 63.486 63.100 0.100 0.000 0.773 134 P CB 0.592 32.348 31.700 0.093 0.000 0.837 135 A N 4.221 127.104 122.820 0.104 0.000 2.299 135 A HA 0.559 4.879 4.320 -0.000 0.000 0.332 135 A C -1.592 176.026 177.584 0.057 0.000 1.131 135 A CA -1.653 50.425 52.037 0.068 0.000 0.844 135 A CB -0.308 18.739 19.000 0.078 0.000 1.251 135 A HN 0.341 nan 8.150 nan 0.000 0.486 136 P HA -0.272 nan 4.420 nan 0.000 0.218 136 P C 1.251 178.569 177.300 0.030 0.000 1.165 136 P CA 2.154 65.272 63.100 0.030 0.000 0.922 136 P CB 0.136 31.851 31.700 0.024 0.000 0.794 137 Q N -0.849 118.969 119.800 0.031 0.000 2.403 137 Q HA -0.003 4.337 4.340 -0.000 0.000 0.203 137 Q C -0.400 175.611 176.000 0.019 0.000 0.932 137 Q CA 0.851 56.667 55.803 0.022 0.000 0.945 137 Q CB -0.786 27.962 28.738 0.018 0.000 1.045 137 Q HN 0.214 nan 8.270 nan 0.000 0.511 138 D N 1.003 121.426 120.400 0.038 0.000 2.304 138 D HA 0.092 4.732 4.640 -0.000 0.000 0.250 138 D C 1.293 177.607 176.300 0.023 0.000 1.107 138 D CA -0.128 53.888 54.000 0.027 0.000 0.885 138 D CB 2.129 43.014 40.800 0.142 0.000 1.192 138 D HN -0.123 nan 8.370 nan 0.000 0.436 139 V N 2.003 121.902 119.914 -0.024 0.000 2.283 139 V HA 0.022 4.142 4.120 -0.000 0.000 0.243 139 V C 1.652 177.788 176.094 0.069 0.000 1.039 139 V CA 1.314 63.619 62.300 0.009 0.000 1.016 139 V CB -1.057 30.755 31.823 -0.018 0.000 0.650 139 V HN 0.613 nan 8.190 nan 0.000 0.449 140 G N 0.802 109.661 108.800 0.099 0.000 2.750 140 G HA2 0.242 4.201 3.960 -0.000 0.000 0.250 140 G HA3 0.242 4.201 3.960 -0.000 0.000 0.250 140 G C -0.059 174.955 174.900 0.191 0.000 1.230 140 G CA -0.226 45.020 45.100 0.243 0.000 0.883 140 G HN 0.243 nan 8.290 nan 0.000 0.573 141 K N -0.403 120.071 120.400 0.124 0.000 2.210 141 K HA 0.433 4.753 4.320 -0.000 0.000 0.236 141 K C 0.500 176.905 176.600 -0.325 0.000 1.016 141 K CA -0.680 55.528 56.287 -0.132 0.000 0.913 141 K CB 1.176 33.559 32.500 -0.195 0.000 1.141 141 K HN 0.394 nan 8.250 nan 0.000 0.462 142 S N 0.228 115.757 115.700 -0.285 0.000 2.573 142 S HA 0.205 4.675 4.470 -0.000 0.000 0.277 142 S C 0.357 174.706 174.600 -0.418 0.000 1.346 142 S CA -0.436 57.608 58.200 -0.260 0.000 1.034 142 S CB -0.159 62.933 63.200 -0.180 0.000 0.879 142 S HN 0.745 nan 8.310 nan 0.000 0.528 143 C N -0.316 118.817 119.300 -0.278 0.000 3.275 143 C HA 0.983 5.443 4.460 -0.000 0.000 0.340 143 C C -0.162 174.727 174.990 -0.169 0.000 1.366 143 C CA -0.092 58.753 59.018 -0.289 0.000 1.227 143 C CB 0.752 28.398 27.740 -0.157 0.000 1.512 143 C HN 1.216 nan 8.230 nan 0.000 0.461 144 G N -0.856 107.800 108.800 -0.240 0.000 2.322 144 G HA2 0.627 4.587 3.960 -0.000 0.000 0.295 144 G HA3 0.627 4.587 3.960 -0.000 0.000 0.295 144 G C -1.953 172.918 174.900 -0.048 0.000 1.369 144 G CA 0.222 45.290 45.100 -0.053 0.000 0.821 144 G HN 2.245 nan 8.290 nan 0.000 0.536 145 V N 1.037 121.006 119.914 0.091 0.000 2.376 145 V HA 0.604 4.724 4.120 -0.000 0.000 0.287 145 V C -1.127 174.961 176.094 -0.011 0.000 1.015 145 V CA -0.757 61.585 62.300 0.071 0.000 0.834 145 V CB 1.140 33.065 31.823 0.169 0.000 1.001 145 V HN 0.682 nan 8.190 nan 0.000 0.428 146 D N 5.676 126.015 120.400 -0.102 0.000 2.277 146 D HA 0.444 5.084 4.640 -0.000 0.000 0.250 146 D C -1.024 175.130 176.300 -0.244 0.000 1.032 146 D CA 0.156 54.133 54.000 -0.038 0.000 0.947 146 D CB 1.926 42.726 40.800 0.000 0.000 1.159 146 D HN 0.457 nan 8.370 nan 0.000 0.460 147 F N 0.810 120.841 119.950 0.134 0.000 2.445 147 F HA 0.186 4.712 4.527 -0.000 0.000 0.348 147 F C 0.577 176.450 175.800 0.123 0.000 1.125 147 F CA -0.736 57.365 58.000 0.169 0.000 0.983 147 F CB 1.580 40.717 39.000 0.229 0.000 1.198 147 F HN 0.094 nan 8.300 nan 0.000 0.436 148 E N 4.864 125.177 120.200 0.188 0.000 2.171 148 E HA 0.528 4.878 4.350 -0.000 0.000 0.271 148 E C -1.287 175.349 176.600 0.060 0.000 0.916 148 E CA -0.458 56.003 56.400 0.102 0.000 0.774 148 E CB 1.465 31.195 29.700 0.050 0.000 1.128 148 E HN 0.626 nan 8.360 nan 0.000 0.403 149 I N 5.092 125.666 120.570 0.007 0.000 2.389 149 I HA 0.288 4.458 4.170 -0.000 0.000 0.288 149 I C -0.698 175.380 176.117 -0.066 0.000 0.999 149 I CA -0.640 60.633 61.300 -0.045 0.000 1.129 149 I CB 1.334 39.296 38.000 -0.063 0.000 1.288 149 I HN 0.468 nan 8.210 nan 0.000 0.444 150 K N 5.822 126.202 120.400 -0.034 0.000 2.513 150 K HA 0.846 5.166 4.320 -0.000 0.000 0.251 150 K C -1.584 175.069 176.600 0.088 0.000 0.939 150 K CA -0.751 55.550 56.287 0.024 0.000 0.793 150 K CB 2.349 34.894 32.500 0.075 0.000 1.241 150 K HN 0.471 nan 8.250 nan 0.000 0.431 151 A N 3.626 126.449 122.820 0.006 0.000 2.305 151 A HA 0.826 5.146 4.320 -0.000 0.000 0.322 151 A C -0.915 176.727 177.584 0.096 0.000 1.187 151 A CA -0.689 51.287 52.037 -0.102 0.000 0.825 151 A CB 0.003 18.876 19.000 -0.211 0.000 1.164 151 A HN 0.744 nan 8.150 nan 0.000 0.498 152 F N -0.656 119.280 119.950 -0.024 0.000 2.711 152 F HA 0.850 5.377 4.527 -0.000 0.000 0.313 152 F C -0.268 175.561 175.800 0.048 0.000 1.141 152 F CA -1.044 56.962 58.000 0.009 0.000 0.941 152 F CB 1.215 40.229 39.000 0.023 0.000 1.349 152 F HN 0.752 nan 8.300 nan 0.000 0.464 153 A N 0.523 123.487 122.820 0.239 0.000 2.350 153 A HA 0.853 5.173 4.320 -0.000 0.000 0.324 153 A C -0.985 176.769 177.584 0.283 0.000 1.118 153 A CA -0.685 51.442 52.037 0.150 0.000 0.783 153 A CB 1.291 20.338 19.000 0.078 0.000 1.236 153 A HN 0.828 nan 8.150 nan 0.000 0.457 154 T N 1.606 116.309 114.554 0.249 0.000 2.887 154 T HA 0.721 5.071 4.350 -0.000 0.000 0.288 154 T C -0.787 174.030 174.700 0.195 0.000 1.021 154 T CA -0.307 61.924 62.100 0.219 0.000 1.000 154 T CB 1.210 70.263 68.868 0.307 0.000 1.034 154 T HN 0.992 nan 8.240 nan 0.000 0.467 155 H N -1.413 117.716 119.070 0.098 0.000 3.012 155 H HA 0.759 5.315 4.556 -0.000 0.000 0.367 155 H C -0.646 174.714 175.328 0.054 0.000 1.211 155 H CA -1.060 55.027 56.048 0.065 0.000 1.139 155 H CB 0.731 30.519 29.762 0.044 0.000 1.838 155 H HN 0.528 nan 8.280 nan 0.000 0.550 156 S N 0.883 116.684 115.700 0.169 0.000 2.693 156 S HA 0.653 5.123 4.470 -0.000 0.000 0.276 156 S C -0.359 174.332 174.600 0.152 0.000 1.192 156 S CA -0.767 57.489 58.200 0.094 0.000 0.994 156 S CB 1.660 64.902 63.200 0.071 0.000 1.012 156 S HN 0.744 nan 8.310 nan 0.000 0.550 157 T N 0.771 115.374 114.554 0.081 0.000 2.876 157 T HA 0.310 4.659 4.350 -0.000 0.000 0.289 157 T C 0.479 175.207 174.700 0.048 0.000 1.014 157 T CA -0.471 61.677 62.100 0.080 0.000 0.986 157 T CB 1.483 70.386 68.868 0.058 0.000 1.021 157 T HN 0.822 nan 8.240 nan 0.000 0.458 158 D N 1.549 121.974 120.400 0.043 0.000 2.354 158 D HA -0.102 4.538 4.640 -0.000 0.000 0.216 158 D C 1.163 177.475 176.300 0.020 0.000 0.970 158 D CA 0.819 54.836 54.000 0.028 0.000 0.905 158 D CB -0.039 40.775 40.800 0.023 0.000 0.903 158 D HN 0.276 nan 8.370 nan 0.000 0.508 159 V N 0.035 119.961 119.914 0.019 0.000 3.514 159 V HA 0.062 4.182 4.120 -0.000 0.000 0.301 159 V C 0.118 176.216 176.094 0.008 0.000 1.346 159 V CA 0.032 62.339 62.300 0.011 0.000 1.156 159 V CB -1.509 30.320 31.823 0.010 0.000 1.029 159 V HN 0.248 nan 8.190 nan 0.000 0.428 160 E N 1.301 121.507 120.200 0.011 0.000 2.393 160 E HA -0.240 4.110 4.350 -0.000 0.000 0.169 160 E C 0.123 176.722 176.600 -0.002 0.000 1.591 160 E CA 0.671 57.075 56.400 0.007 0.000 0.661 160 E CB -0.670 29.033 29.700 0.005 0.000 1.097 160 E HN 0.796 nan 8.360 nan 0.000 0.356 161 E N 1.789 121.986 120.200 -0.005 0.000 2.349 161 E HA 0.135 4.485 4.350 -0.000 0.000 0.290 161 E C -1.163 175.414 176.600 -0.039 0.000 0.901 161 E CA -0.772 55.616 56.400 -0.021 0.000 0.800 161 E CB 1.054 30.741 29.700 -0.021 0.000 1.303 161 E HN 0.064 nan 8.360 nan 0.000 0.397 162 D N 2.843 123.210 120.400 -0.055 0.000 2.358 162 D HA 0.327 4.967 4.640 -0.000 0.000 0.244 162 D C -0.408 175.791 176.300 -0.168 0.000 1.163 162 D CA 0.022 53.963 54.000 -0.099 0.000 0.945 162 D CB 0.869 41.636 40.800 -0.055 0.000 1.152 162 D HN 0.195 nan 8.370 nan 0.000 0.451 163 K N 0.948 121.146 120.400 -0.335 0.000 2.422 163 K HA 0.520 4.839 4.320 -0.000 0.000 0.251 163 K C -0.651 175.788 176.600 -0.269 0.000 0.933 163 K CA -0.597 55.481 56.287 -0.349 0.000 0.798 163 K CB 2.182 34.379 32.500 -0.505 0.000 1.238 163 K HN 0.338 nan 8.250 nan 0.000 0.428 164 I N 3.532 124.033 120.570 -0.115 0.000 2.537 164 I HA 0.218 4.387 4.170 -0.000 0.000 0.276 164 I C -2.256 173.855 176.117 -0.009 0.000 1.063 164 I CA -1.916 59.371 61.300 -0.021 0.000 1.144 164 I CB 1.349 39.303 38.000 -0.076 0.000 1.252 164 I HN 0.147 nan 8.210 nan 0.000 0.480 165 P HA 0.189 nan 4.420 nan 0.000 0.276 165 P C 0.670 177.996 177.300 0.044 0.000 1.235 165 P CA -0.525 62.613 63.100 0.063 0.000 0.772 165 P CB 1.269 33.042 31.700 0.123 0.000 0.871 166 K N 3.315 123.724 120.400 0.015 0.000 2.097 166 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 166 K C 1.510 178.122 176.600 0.019 0.000 1.049 166 K CA 1.406 57.696 56.287 0.004 0.000 0.933 166 K CB 0.062 32.557 32.500 -0.009 0.000 0.717 166 K HN 0.441 nan 8.250 nan 0.000 0.442 167 K N -0.691 119.722 120.400 0.023 0.000 2.362 167 K HA -0.008 4.312 4.320 -0.000 0.000 0.200 167 K C 0.879 177.492 176.600 0.023 0.000 1.046 167 K CA 1.328 57.626 56.287 0.018 0.000 0.952 167 K CB 0.187 32.696 32.500 0.014 0.000 0.753 167 K HN -0.128 nan 8.250 nan 0.000 0.466 168 S N 1.003 116.730 115.700 0.045 0.000 2.583 168 S HA 0.084 4.554 4.470 -0.000 0.000 0.239 168 S C -0.474 174.172 174.600 0.076 0.000 0.966 168 S CA -0.386 57.846 58.200 0.052 0.000 0.973 168 S CB 0.390 63.637 63.200 0.079 0.000 0.794 168 S HN 0.484 nan 8.310 nan 0.000 0.463 169 S N 0.619 116.359 115.700 0.067 0.000 2.546 169 S HA 0.756 5.226 4.470 -0.000 0.000 0.274 169 S C -0.694 173.927 174.600 0.035 0.000 1.121 169 S CA -0.920 57.335 58.200 0.091 0.000 0.887 169 S CB 1.696 64.980 63.200 0.140 0.000 1.094 169 S HN 0.198 nan 8.310 nan 0.000 0.474 170 V N -0.201 119.725 119.914 0.019 0.000 2.628 170 V HA 0.811 4.930 4.120 -0.000 0.000 0.306 170 V C -0.313 175.762 176.094 -0.030 0.000 1.045 170 V CA -0.964 61.323 62.300 -0.022 0.000 0.905 170 V CB 1.500 33.289 31.823 -0.057 0.000 0.997 170 V HN 1.137 nan 8.190 nan 0.000 0.436 171 R N 3.771 124.243 120.500 -0.046 0.000 2.476 171 R HA 0.748 5.088 4.340 -0.000 0.000 0.305 171 R C -1.697 174.539 176.300 -0.106 0.000 0.965 171 R CA -0.660 55.407 56.100 -0.055 0.000 0.867 171 R CB 1.556 31.840 30.300 -0.026 0.000 1.176 171 R HN 0.932 nan 8.270 nan 0.000 0.447 172 L N 4.513 125.627 121.223 -0.182 0.000 2.334 172 L HA 0.512 4.852 4.340 -0.000 0.000 0.273 172 L C -0.937 175.845 176.870 -0.147 0.000 1.013 172 L CA -1.344 53.276 54.840 -0.365 0.000 0.816 172 L CB 1.870 43.461 42.059 -0.780 0.000 1.278 172 L HN 0.439 nan 8.230 nan 0.000 0.431 173 L N 4.235 125.463 121.223 0.008 0.000 2.337 173 L HA 0.471 4.811 4.340 -0.000 0.000 0.269 173 L C 0.043 177.111 176.870 0.329 0.000 1.018 173 L CA -0.121 54.826 54.840 0.178 0.000 0.876 173 L CB 1.030 43.206 42.059 0.196 0.000 1.236 173 L HN 0.375 nan 8.230 nan 0.000 0.436 174 I N -0.039 120.720 120.570 0.316 0.000 2.834 174 I HA 0.584 4.754 4.170 -0.000 0.000 0.305 174 I C 0.080 176.381 176.117 0.307 0.000 1.008 174 I CA -0.900 60.638 61.300 0.397 0.000 1.273 174 I CB 1.077 39.316 38.000 0.399 0.000 1.432 174 I HN 0.464 nan 8.210 nan 0.000 0.557 175 R N 2.169 122.801 120.500 0.220 0.000 2.532 175 R HA 0.398 4.738 4.340 -0.000 0.000 0.295 175 R C -0.844 175.416 176.300 -0.067 0.000 0.968 175 R CA -0.853 55.299 56.100 0.086 0.000 0.916 175 R CB 1.546 31.878 30.300 0.052 0.000 1.124 175 R HN 0.617 nan 8.270 nan 0.000 0.463 176 K N 4.259 124.466 120.400 -0.321 0.000 2.404 176 K HA 0.201 4.521 4.320 -0.000 0.000 0.257 176 K C -0.656 175.806 176.600 -0.231 0.000 1.026 176 K CA -0.565 55.416 56.287 -0.510 0.000 0.951 176 K CB 0.881 32.662 32.500 -1.199 0.000 1.203 176 K HN 0.446 nan 8.250 nan 0.000 0.446 177 V N 1.198 121.052 119.914 -0.100 0.000 2.644 177 V HA 0.365 4.485 4.120 -0.000 0.000 0.295 177 V C -0.391 175.748 176.094 0.075 0.000 1.053 177 V CA -0.840 61.456 62.300 -0.007 0.000 0.987 177 V CB 1.445 33.222 31.823 -0.076 0.000 1.006 177 V HN 0.722 nan 8.190 nan 0.000 0.472 178 Q N 3.091 122.954 119.800 0.106 0.000 2.296 178 Q HA 0.364 4.704 4.340 -0.000 0.000 0.257 178 Q C -0.690 175.349 176.000 0.064 0.000 0.942 178 Q CA 0.166 56.034 55.803 0.108 0.000 0.939 178 Q CB 0.406 29.200 28.738 0.093 0.000 1.198 178 Q HN 0.940 nan 8.270 nan 0.000 0.429 179 H N 1.887 121.028 119.070 0.118 0.000 2.573 179 H HA 0.587 5.143 4.556 -0.000 0.000 0.351 179 H C -0.633 174.746 175.328 0.084 0.000 1.163 179 H CA -0.602 55.498 56.048 0.087 0.000 1.205 179 H CB 1.866 31.644 29.762 0.027 0.000 1.605 179 H HN 0.854 nan 8.280 nan 0.000 0.525 180 A N 4.001 126.897 122.820 0.126 0.000 2.483 180 A HA 0.190 4.510 4.320 -0.000 0.000 0.238 180 A C -1.988 175.694 177.584 0.165 0.000 1.070 180 A CA -0.764 51.364 52.037 0.150 0.000 0.770 180 A CB -0.246 18.885 19.000 0.219 0.000 1.008 180 A HN 0.446 nan 8.150 nan 0.000 0.497 181 P HA 0.251 nan 4.420 nan 0.000 0.297 181 P C 0.499 177.873 177.300 0.124 0.000 1.307 181 P CA -0.553 62.643 63.100 0.160 0.000 0.773 181 P CB 0.715 32.488 31.700 0.121 0.000 1.265 182 R N -0.427 120.140 120.500 0.112 0.000 2.070 182 R HA 0.013 4.353 4.340 -0.000 0.000 0.232 182 R C 0.646 176.984 176.300 0.064 0.000 1.138 182 R CA 1.503 57.651 56.100 0.079 0.000 0.936 182 R CB -0.838 29.505 30.300 0.070 0.000 0.839 182 R HN 0.584 nan 8.270 nan 0.000 0.429 183 D N -0.247 120.189 120.400 0.060 0.000 2.387 183 D HA 0.266 4.906 4.640 -0.000 0.000 0.255 183 D C -0.093 176.236 176.300 0.048 0.000 1.081 183 D CA -0.286 53.742 54.000 0.046 0.000 0.994 183 D CB 1.635 42.459 40.800 0.039 0.000 1.127 183 D HN -0.081 nan 8.370 nan 0.000 0.513 184 M N -0.199 119.420 119.600 0.032 0.000 2.593 184 M HA 0.490 4.970 4.480 -0.000 0.000 0.290 184 M C -0.240 176.074 176.300 0.023 0.000 1.244 184 M CA -0.565 54.751 55.300 0.026 0.000 0.857 184 M CB 2.278 34.878 32.600 0.000 0.000 1.738 184 M HN 0.414 nan 8.290 nan 0.000 0.461 185 G N 1.829 110.647 108.800 0.030 0.000 2.588 185 G HA2 0.570 4.529 3.960 -0.000 0.000 0.278 185 G HA3 0.570 4.529 3.960 -0.000 0.000 0.278 185 G C -2.870 172.044 174.900 0.025 0.000 1.307 185 G CA -1.010 44.109 45.100 0.032 0.000 1.016 185 G HN 0.457 nan 8.290 nan 0.000 0.503 186 P HA 0.116 nan 4.420 nan 0.000 0.272 186 P C -0.240 177.077 177.300 0.028 0.000 1.230 186 P CA -0.373 62.741 63.100 0.023 0.000 0.788 186 P CB 0.450 32.164 31.700 0.024 0.000 0.949 187 Q N 3.204 123.016 119.800 0.020 0.000 2.239 187 Q HA 0.035 4.375 4.340 -0.000 0.000 0.286 187 Q C -1.844 174.182 176.000 0.044 0.000 1.102 187 Q CA -1.290 54.528 55.803 0.025 0.000 0.936 187 Q CB -0.134 28.612 28.738 0.014 0.000 1.127 187 Q HN 0.279 nan 8.270 nan 0.000 0.380 188 P HA 0.058 nan 4.420 nan 0.000 0.271 188 P C -1.332 176.006 177.300 0.063 0.000 1.220 188 P CA 0.247 63.397 63.100 0.083 0.000 0.768 188 P CB 0.527 32.310 31.700 0.138 0.000 0.848 189 R N 1.474 122.006 120.500 0.053 0.000 2.634 189 R HA 0.843 5.183 4.340 -0.000 0.000 0.263 189 R C -1.942 174.379 176.300 0.035 0.000 1.060 189 R CA -1.132 54.992 56.100 0.040 0.000 0.898 189 R CB 1.071 31.388 30.300 0.027 0.000 1.253 189 R HN 0.412 nan 8.270 nan 0.000 0.461 190 A N 1.228 124.067 122.820 0.031 0.000 2.515 190 A HA 0.721 5.041 4.320 -0.000 0.000 0.296 190 A C -1.404 176.184 177.584 0.006 0.000 1.094 190 A CA -0.746 51.303 52.037 0.021 0.000 0.718 190 A CB 2.359 21.381 19.000 0.037 0.000 1.307 190 A HN 0.791 nan 8.150 nan 0.000 0.408 191 E N -0.402 119.784 120.200 -0.023 0.000 2.275 191 E HA 0.645 4.994 4.350 -0.000 0.000 0.270 191 E C -1.024 175.499 176.600 -0.128 0.000 0.882 191 E CA -0.521 55.846 56.400 -0.054 0.000 0.758 191 E CB 2.127 31.795 29.700 -0.053 0.000 1.195 191 E HN 1.129 nan 8.360 nan 0.000 0.419 192 A N 2.085 124.781 122.820 -0.207 0.000 2.520 192 A HA 0.766 5.085 4.320 -0.000 0.000 0.298 192 A C -1.231 175.915 177.584 -0.731 0.000 1.051 192 A CA -0.664 51.080 52.037 -0.488 0.000 0.690 192 A CB 1.759 20.437 19.000 -0.538 0.000 1.281 192 A HN 0.522 nan 8.150 nan 0.000 0.402 193 S N 0.793 115.962 115.700 -0.885 0.000 2.540 193 S HA 0.855 5.325 4.470 -0.000 0.000 0.275 193 S C -1.226 172.948 174.600 -0.710 0.000 1.123 193 S CA -0.658 57.162 58.200 -0.634 0.000 0.907 193 S CB 1.145 64.182 63.200 -0.271 0.000 1.081 193 S HN 0.761 nan 8.310 nan 0.000 0.476 194 W N 0.944 122.144 121.300 -0.166 0.000 2.844 194 W HA 0.511 5.171 4.660 -0.000 0.000 0.340 194 W C -0.422 175.827 176.519 -0.449 0.000 1.093 194 W CA -0.579 56.619 57.345 -0.246 0.000 1.212 194 W CB 2.205 31.527 29.460 -0.229 0.000 1.422 194 W HN 0.738 nan 8.180 nan 0.000 0.515 195 Q N 2.438 122.171 119.800 -0.112 0.000 2.394 195 Q HA 0.260 4.600 4.340 -0.000 0.000 0.261 195 Q C -0.900 175.087 176.000 -0.021 0.000 1.023 195 Q CA -0.582 55.122 55.803 -0.165 0.000 0.720 195 Q CB 0.873 29.581 28.738 -0.049 0.000 1.241 195 Q HN 0.190 nan 8.270 nan 0.000 0.483 196 F N 1.831 121.873 119.950 0.153 0.000 2.539 196 F HA 0.097 4.623 4.527 -0.000 0.000 0.340 196 F C 0.633 176.537 175.800 0.174 0.000 1.185 196 F CA -0.675 57.416 58.000 0.151 0.000 1.333 196 F CB 0.060 39.121 39.000 0.102 0.000 1.152 196 F HN 0.453 nan 8.300 nan 0.000 0.602 197 F N 3.535 123.639 119.950 0.256 0.000 2.623 197 F HA 0.101 4.628 4.527 -0.000 0.000 0.383 197 F C 0.726 176.598 175.800 0.119 0.000 1.077 197 F CA -0.638 57.445 58.000 0.139 0.000 1.268 197 F CB -0.133 38.923 39.000 0.095 0.000 1.053 197 F HN 0.517 nan 8.300 nan 0.000 0.571 198 M N 3.673 122.993 119.600 -0.466 0.000 2.503 198 M HA -0.240 4.240 4.480 -0.000 0.000 0.208 198 M C -0.301 175.912 176.300 -0.144 0.000 0.434 198 M CA 0.921 55.949 55.300 -0.454 0.000 0.551 198 M CB -1.990 30.216 32.600 -0.655 0.000 2.025 198 M HN 0.605 nan 8.290 nan 0.000 0.827 199 S N -0.844 114.836 115.700 -0.033 0.000 2.546 199 S HA 0.512 4.982 4.470 -0.000 0.000 0.272 199 S C 0.170 174.773 174.600 0.006 0.000 1.140 199 S CA -0.761 57.450 58.200 0.017 0.000 0.920 199 S CB 1.488 64.749 63.200 0.101 0.000 1.083 199 S HN 0.346 nan 8.310 nan 0.000 0.476 200 D N 1.622 122.020 120.400 -0.003 0.000 2.366 200 D HA 0.135 4.774 4.640 -0.000 0.000 0.205 200 D C -0.123 176.168 176.300 -0.014 0.000 1.022 200 D CA 0.354 54.349 54.000 -0.008 0.000 0.868 200 D CB 0.368 41.163 40.800 -0.009 0.000 0.953 200 D HN 0.264 nan 8.370 nan 0.000 0.514 201 K N 2.156 122.549 120.400 -0.012 0.000 2.130 201 K HA 0.372 4.692 4.320 -0.000 0.000 0.268 201 K C -2.292 174.272 176.600 -0.060 0.000 0.983 201 K CA -1.812 54.463 56.287 -0.021 0.000 0.893 201 K CB 1.739 34.238 32.500 -0.001 0.000 1.066 201 K HN 0.026 nan 8.250 nan 0.000 0.450 202 P HA 0.375 nan 4.420 nan 0.000 0.287 202 P C -0.849 176.408 177.300 -0.072 0.000 1.279 202 P CA -0.752 62.286 63.100 -0.104 0.000 0.867 202 P CB 1.538 33.194 31.700 -0.073 0.000 1.127 203 L N 2.495 123.679 121.223 -0.066 0.000 2.298 203 L HA 0.410 4.750 4.340 -0.000 0.000 0.284 203 L C -0.024 176.965 176.870 0.198 0.000 1.013 203 L CA -0.699 54.188 54.840 0.079 0.000 0.824 203 L CB 0.841 42.961 42.059 0.103 0.000 1.221 203 L HN 0.356 nan 8.230 nan 0.000 0.418 204 R N 4.814 125.395 120.500 0.135 0.000 2.460 204 R HA 0.545 4.885 4.340 -0.000 0.000 0.303 204 R C -1.243 175.154 176.300 0.161 0.000 0.968 204 R CA -0.934 55.223 56.100 0.094 0.000 0.889 204 R CB 2.461 32.773 30.300 0.020 0.000 1.123 204 R HN 0.372 nan 8.270 nan 0.000 0.455 205 L N 1.687 123.009 121.223 0.164 0.000 2.376 205 L HA 0.626 4.966 4.340 -0.000 0.000 0.275 205 L C -1.198 175.723 176.870 0.085 0.000 0.987 205 L CA -0.605 54.350 54.840 0.193 0.000 0.828 205 L CB 1.756 44.055 42.059 0.400 0.000 1.249 205 L HN 0.767 nan 8.230 nan 0.000 0.409 206 A N 5.154 128.014 122.820 0.066 0.000 2.318 206 A HA 0.841 5.161 4.320 -0.000 0.000 0.317 206 A C -1.321 176.288 177.584 0.043 0.000 1.159 206 A CA -0.500 51.559 52.037 0.037 0.000 0.799 206 A CB 1.400 20.413 19.000 0.021 0.000 1.194 206 A HN 0.545 nan 8.150 nan 0.000 0.479 207 V N 2.042 121.980 119.914 0.039 0.000 2.680 207 V HA 0.819 4.939 4.120 -0.000 0.000 0.309 207 V C 0.056 176.166 176.094 0.027 0.000 1.052 207 V CA -0.172 62.149 62.300 0.036 0.000 0.908 207 V CB 1.937 33.789 31.823 0.048 0.000 1.001 207 V HN 1.247 nan 8.190 nan 0.000 0.431 208 S N 4.540 120.251 115.700 0.017 0.000 2.541 208 S HA 0.844 5.314 4.470 -0.000 0.000 0.271 208 S C -1.362 173.241 174.600 0.006 0.000 1.133 208 S CA -0.792 57.418 58.200 0.017 0.000 0.876 208 S CB 1.679 64.888 63.200 0.015 0.000 1.105 208 S HN 0.505 nan 8.310 nan 0.000 0.470 209 L N 2.118 123.354 121.223 0.021 0.000 2.319 209 L HA 0.527 4.867 4.340 -0.000 0.000 0.267 209 L C 1.609 178.520 176.870 0.069 0.000 1.011 209 L CA -0.855 54.002 54.840 0.028 0.000 0.818 209 L CB 2.188 44.267 42.059 0.034 0.000 1.316 209 L HN 0.988 nan 8.230 nan 0.000 0.432 210 S N 0.420 116.186 115.700 0.110 0.000 2.356 210 S HA -0.076 4.394 4.470 -0.000 0.000 0.223 210 S C 0.432 175.025 174.600 -0.011 0.000 1.032 210 S CA 0.704 58.934 58.200 0.050 0.000 1.005 210 S CB -0.308 62.918 63.200 0.043 0.000 0.867 210 S HN 0.729 nan 8.310 nan 0.000 0.449 211 K N -0.573 119.799 120.400 -0.047 0.000 2.430 211 K HA 0.477 4.797 4.320 -0.000 0.000 0.268 211 K C 0.208 176.765 176.600 -0.071 0.000 1.043 211 K CA -0.907 55.281 56.287 -0.165 0.000 0.899 211 K CB 0.901 33.174 32.500 -0.377 0.000 1.472 211 K HN -0.128 nan 8.250 nan 0.000 0.451 212 E N 0.491 120.657 120.200 -0.057 0.000 2.318 212 E HA 0.129 4.478 4.350 -0.000 0.000 0.193 212 E C -0.175 176.496 176.600 0.118 0.000 0.998 212 E CA 0.405 56.853 56.400 0.080 0.000 0.859 212 E CB 0.348 30.086 29.700 0.064 0.000 0.812 212 E HN 0.512 nan 8.360 nan 0.000 0.492 213 I N 1.245 121.764 120.570 -0.085 0.000 2.436 213 I HA 0.245 4.415 4.170 -0.000 0.000 0.289 213 I C -1.128 174.767 176.117 -0.369 0.000 1.010 213 I CA -0.816 60.461 61.300 -0.039 0.000 1.098 213 I CB 1.332 39.333 38.000 0.002 0.000 1.266 213 I HN -0.136 nan 8.210 nan 0.000 0.434 214 Y N 4.734 125.014 120.300 -0.033 0.000 2.509 214 Y HA 0.518 5.068 4.550 -0.000 0.000 0.341 214 Y C -0.504 175.363 175.900 -0.056 0.000 1.038 214 Y CA -0.652 57.343 58.100 -0.176 0.000 1.089 214 Y CB 1.483 39.855 38.460 -0.146 0.000 1.241 214 Y HN 0.273 nan 8.280 nan 0.000 0.468 215 Y N 0.137 120.453 120.300 0.027 0.000 2.352 215 Y HA 0.267 4.817 4.550 -0.000 0.000 0.326 215 Y C 0.170 176.037 175.900 -0.056 0.000 1.166 215 Y CA -1.740 56.342 58.100 -0.031 0.000 1.182 215 Y CB 0.130 38.605 38.460 0.025 0.000 1.216 215 Y HN 0.558 nan 8.280 nan 0.000 0.474 216 H N 0.600 119.704 119.070 0.057 0.000 3.125 216 H HA 0.291 4.847 4.556 -0.000 0.000 0.310 216 H C 1.186 176.550 175.328 0.060 0.000 0.980 216 H CA 2.046 58.082 56.048 -0.020 0.000 1.422 216 H CB 0.121 29.807 29.762 -0.127 0.000 1.432 216 H HN 0.882 nan 8.280 nan 0.000 0.577 217 G N 2.362 111.244 108.800 0.137 0.000 2.268 217 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.240 217 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.240 217 G C 0.447 175.397 174.900 0.082 0.000 1.010 217 G CA 0.177 45.341 45.100 0.106 0.000 0.618 217 G HN 0.709 nan 8.290 nan 0.000 0.516 218 E N 2.094 122.354 120.200 0.100 0.000 2.360 218 E HA 0.458 4.808 4.350 -0.000 0.000 0.269 218 E C -2.280 174.346 176.600 0.043 0.000 1.022 218 E CA -1.648 54.803 56.400 0.085 0.000 0.887 218 E CB 0.821 30.582 29.700 0.102 0.000 0.990 218 E HN 0.205 nan 8.360 nan 0.000 0.426 219 P HA 0.129 nan 4.420 nan 0.000 0.276 219 P C -0.907 176.355 177.300 -0.063 0.000 1.230 219 P CA 0.177 63.259 63.100 -0.030 0.000 0.776 219 P CB 0.511 32.202 31.700 -0.015 0.000 0.888 220 I N 5.637 126.063 120.570 -0.240 0.000 2.328 220 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 220 I C -2.088 173.847 176.117 -0.303 0.000 1.012 220 I CA -2.395 58.595 61.300 -0.517 0.000 1.195 220 I CB 1.867 39.285 38.000 -0.970 0.000 1.350 220 I HN 0.120 nan 8.210 nan 0.000 0.464 221 P HA 0.163 nan 4.420 nan 0.000 0.274 221 P C -0.463 176.773 177.300 -0.107 0.000 1.504 221 P CA -0.245 62.796 63.100 -0.098 0.000 1.011 221 P CB 1.018 32.700 31.700 -0.030 0.000 1.366 222 V N 4.675 124.515 119.914 -0.123 0.000 2.389 222 V HA 0.134 4.254 4.120 -0.000 0.000 0.264 222 V C 0.888 176.954 176.094 -0.047 0.000 1.049 222 V CA 0.336 62.578 62.300 -0.097 0.000 0.932 222 V CB 0.399 32.162 31.823 -0.101 0.000 1.011 222 V HN 0.440 nan 8.190 nan 0.000 0.475 223 T N 5.450 119.987 114.554 -0.028 0.000 2.728 223 T HA 0.425 4.775 4.350 -0.000 0.000 0.296 223 T C -0.050 174.652 174.700 0.003 0.000 0.940 223 T CA -0.171 61.923 62.100 -0.010 0.000 1.013 223 T CB 1.168 70.034 68.868 -0.004 0.000 0.912 223 T HN 0.339 nan 8.240 nan 0.000 0.484 224 V N 2.859 122.778 119.914 0.008 0.000 2.472 224 V HA 0.740 4.860 4.120 -0.000 0.000 0.290 224 V C 0.108 176.217 176.094 0.026 0.000 1.037 224 V CA -0.792 61.521 62.300 0.022 0.000 0.908 224 V CB 1.558 33.396 31.823 0.025 0.000 0.985 224 V HN 1.001 nan 8.190 nan 0.000 0.454 225 A N 4.930 127.771 122.820 0.036 0.000 2.646 225 A HA 0.674 4.994 4.320 -0.000 0.000 0.312 225 A C -0.796 176.818 177.584 0.050 0.000 1.245 225 A CA -0.375 51.683 52.037 0.034 0.000 0.755 225 A CB 0.795 19.811 19.000 0.026 0.000 1.132 225 A HN 0.582 nan 8.150 nan 0.000 0.458 226 V N 2.089 122.034 119.914 0.053 0.000 2.461 226 V HA 0.404 4.523 4.120 -0.000 0.000 0.275 226 V C 0.291 176.420 176.094 0.058 0.000 1.047 226 V CA 0.153 62.495 62.300 0.070 0.000 0.955 226 V CB 1.320 33.182 31.823 0.066 0.000 0.988 226 V HN 0.757 nan 8.190 nan 0.000 0.471 227 T N 4.632 119.226 114.554 0.066 0.000 3.060 227 T HA 0.219 4.569 4.350 -0.000 0.000 0.367 227 T C 0.190 174.924 174.700 0.056 0.000 1.229 227 T CA -0.296 61.833 62.100 0.049 0.000 1.104 227 T CB -0.253 68.635 68.868 0.035 0.000 1.083 227 T HN 0.694 nan 8.240 nan 0.000 0.524 228 N N 1.984 120.716 118.700 0.054 0.000 2.663 228 N HA 0.095 4.835 4.740 -0.000 0.000 0.250 228 N C 0.653 176.189 175.510 0.044 0.000 1.129 228 N CA -0.387 52.699 53.050 0.060 0.000 0.995 228 N CB 0.331 38.856 38.487 0.063 0.000 1.324 228 N HN 0.264 nan 8.380 nan 0.000 0.512 229 S N 0.880 116.600 115.700 0.033 0.000 2.593 229 S HA -0.005 4.465 4.470 -0.000 0.000 0.217 229 S C 0.814 175.430 174.600 0.027 0.000 0.966 229 S CA -0.023 58.190 58.200 0.022 0.000 0.914 229 S CB 0.334 63.538 63.200 0.008 0.000 0.776 229 S HN 0.504 nan 8.310 nan 0.000 0.523 230 T N 1.573 116.155 114.554 0.046 0.000 2.788 230 T HA 0.134 4.484 4.350 -0.000 0.000 0.280 230 T C 1.196 175.939 174.700 0.072 0.000 0.984 230 T CA -0.275 61.869 62.100 0.073 0.000 0.972 230 T CB 0.662 69.615 68.868 0.141 0.000 1.039 230 T HN 0.117 nan 8.240 nan 0.000 0.530 231 E N 0.579 120.828 120.200 0.081 0.000 2.250 231 E HA 0.055 4.404 4.350 -0.000 0.000 0.192 231 E C 0.349 176.983 176.600 0.056 0.000 0.986 231 E CA 0.643 57.077 56.400 0.057 0.000 0.849 231 E CB 0.269 29.998 29.700 0.048 0.000 0.797 231 E HN 0.410 nan 8.360 nan 0.000 0.482 232 K N 0.742 121.191 120.400 0.082 0.000 2.138 232 K HA 0.124 4.444 4.320 -0.000 0.000 0.251 232 K C 0.331 176.964 176.600 0.056 0.000 1.015 232 K CA -0.017 56.305 56.287 0.058 0.000 0.917 232 K CB 0.956 33.491 32.500 0.058 0.000 1.021 232 K HN -0.088 nan 8.250 nan 0.000 0.485 233 T N -1.644 112.927 114.554 0.028 0.000 2.888 233 T HA 0.331 4.681 4.350 -0.000 0.000 0.284 233 T C -0.613 174.097 174.700 0.016 0.000 1.017 233 T CA -0.921 61.195 62.100 0.026 0.000 1.022 233 T CB 1.022 69.898 68.868 0.014 0.000 1.013 233 T HN 0.128 nan 8.240 nan 0.000 0.465 234 V N 6.249 126.177 119.914 0.023 0.000 2.387 234 V HA 0.206 4.326 4.120 -0.000 0.000 0.260 234 V C 1.389 177.483 176.094 -0.001 0.000 1.054 234 V CA -0.172 62.135 62.300 0.011 0.000 0.967 234 V CB 0.235 32.072 31.823 0.023 0.000 1.036 234 V HN 0.965 nan 8.190 nan 0.000 0.481 235 K N 3.211 123.603 120.400 -0.014 0.000 2.007 235 K HA -0.001 4.319 4.320 -0.000 0.000 0.206 235 K C 0.860 177.452 176.600 -0.013 0.000 1.047 235 K CA 1.092 57.370 56.287 -0.015 0.000 0.937 235 K CB 0.219 32.704 32.500 -0.024 0.000 0.718 235 K HN 0.471 nan 8.250 nan 0.000 0.438 236 K N 0.748 121.138 120.400 -0.017 0.000 2.468 236 K HA 0.362 4.682 4.320 -0.000 0.000 0.252 236 K C -1.514 175.078 176.600 -0.012 0.000 0.932 236 K CA -0.389 55.890 56.287 -0.014 0.000 0.794 236 K CB 1.458 33.948 32.500 -0.017 0.000 1.241 236 K HN -0.077 nan 8.250 nan 0.000 0.428 237 I N 4.049 124.617 120.570 -0.005 0.000 2.354 237 I HA 0.282 4.452 4.170 -0.000 0.000 0.286 237 I C -0.514 175.604 176.117 0.001 0.000 1.007 237 I CA -0.682 60.619 61.300 0.001 0.000 1.167 237 I CB 1.594 39.599 38.000 0.009 0.000 1.320 237 I HN 0.428 nan 8.210 nan 0.000 0.458 238 K N 5.973 126.374 120.400 0.002 0.000 2.274 238 K HA 0.660 4.980 4.320 -0.000 0.000 0.262 238 K C -1.393 175.214 176.600 0.011 0.000 0.961 238 K CA -0.536 55.753 56.287 0.004 0.000 0.833 238 K CB 1.953 34.455 32.500 0.002 0.000 1.102 238 K HN 0.337 nan 8.250 nan 0.000 0.436 239 V N 5.916 125.834 119.914 0.008 0.000 2.459 239 V HA 0.525 4.645 4.120 -0.000 0.000 0.295 239 V C -0.941 175.159 176.094 0.010 0.000 1.029 239 V CA -0.860 61.445 62.300 0.008 0.000 0.874 239 V CB 1.179 32.997 31.823 -0.008 0.000 0.985 239 V HN 0.684 nan 8.190 nan 0.000 0.438 240 L N 3.868 125.106 121.223 0.025 0.000 2.506 240 L HA 0.799 5.139 4.340 -0.000 0.000 0.257 240 L C -0.750 176.160 176.870 0.066 0.000 0.964 240 L CA -0.828 54.034 54.840 0.036 0.000 0.836 240 L CB 1.765 43.847 42.059 0.039 0.000 1.384 240 L HN 0.227 nan 8.230 nan 0.000 0.410 241 V N 1.129 121.094 119.914 0.084 0.000 2.385 241 V HA 0.478 4.598 4.120 -0.000 0.000 0.269 241 V C 0.058 176.256 176.094 0.172 0.000 1.043 241 V CA -0.237 62.163 62.300 0.168 0.000 0.906 241 V CB 0.750 32.686 31.823 0.188 0.000 0.995 241 V HN 0.830 nan 8.190 nan 0.000 0.467 242 E N 3.524 123.826 120.200 0.171 0.000 2.191 242 E HA 0.431 4.781 4.350 -0.000 0.000 0.274 242 E C -0.670 175.951 176.600 0.035 0.000 0.948 242 E CA -0.627 55.830 56.400 0.094 0.000 0.802 242 E CB 2.297 32.033 29.700 0.059 0.000 1.137 242 E HN 0.644 nan 8.360 nan 0.000 0.397 243 Q N 2.532 122.287 119.800 -0.075 0.000 2.333 243 Q HA 0.335 4.675 4.340 -0.000 0.000 0.265 243 Q C -1.478 174.341 176.000 -0.302 0.000 0.989 243 Q CA -0.613 54.970 55.803 -0.368 0.000 0.842 243 Q CB 1.466 30.008 28.738 -0.327 0.000 1.262 243 Q HN 0.309 nan 8.270 nan 0.000 0.451 244 V N 4.032 123.736 119.914 -0.351 0.000 2.347 244 V HA 0.379 4.498 4.120 -0.000 0.000 0.280 244 V C -0.264 175.673 176.094 -0.262 0.000 1.021 244 V CA -0.377 61.758 62.300 -0.275 0.000 0.847 244 V CB 1.577 33.299 31.823 -0.170 0.000 0.990 244 V HN 0.802 nan 8.190 nan 0.000 0.444 245 T N 4.450 118.859 114.554 -0.242 0.000 2.797 245 T HA 0.444 4.794 4.350 -0.000 0.000 0.279 245 T C -0.326 174.361 174.700 -0.021 0.000 0.991 245 T CA -0.529 61.494 62.100 -0.128 0.000 0.979 245 T CB 0.942 69.722 68.868 -0.147 0.000 0.943 245 T HN 0.646 nan 8.240 nan 0.000 0.444 246 N N 1.533 120.267 118.700 0.058 0.000 2.540 246 N HA 0.425 5.165 4.740 -0.000 0.000 0.275 246 N C -0.977 174.625 175.510 0.153 0.000 1.053 246 N CA -0.414 52.730 53.050 0.157 0.000 0.876 246 N CB 1.165 39.748 38.487 0.161 0.000 1.284 246 N HN 0.313 nan 8.380 nan 0.000 0.518 247 V N 3.351 123.396 119.914 0.218 0.000 2.439 247 V HA 0.052 4.172 4.120 -0.000 0.000 0.271 247 V C 1.104 177.254 176.094 0.092 0.000 1.040 247 V CA -0.154 62.272 62.300 0.209 0.000 1.002 247 V CB 0.876 32.914 31.823 0.357 0.000 1.000 247 V HN 0.598 nan 8.190 nan 0.000 0.477 248 V N 3.214 123.126 119.914 -0.004 0.000 3.121 248 V HA 0.349 4.469 4.120 -0.000 0.000 0.344 248 V C 0.659 176.655 176.094 -0.164 0.000 1.390 248 V CA 0.412 62.675 62.300 -0.063 0.000 1.177 248 V CB 0.329 32.128 31.823 -0.039 0.000 1.163 248 V HN 0.576 nan 8.190 nan 0.000 0.484 249 L N -0.806 120.255 121.223 -0.270 0.000 2.675 249 L HA 0.444 4.784 4.340 -0.000 0.000 0.178 249 L C 1.972 178.685 176.870 -0.261 0.000 1.135 249 L CA 1.362 55.983 54.840 -0.365 0.000 0.855 249 L CB -0.358 41.118 42.059 -0.971 0.000 1.235 249 L HN 0.336 nan 8.230 nan 0.000 0.499 250 Y N -0.071 119.987 120.300 -0.405 0.000 2.239 250 Y HA 0.267 4.817 4.550 -0.000 0.000 0.293 250 Y C 0.990 176.547 175.900 -0.571 0.000 1.126 250 Y CA 0.394 58.045 58.100 -0.748 0.000 1.128 250 Y CB 0.016 37.932 38.460 -0.907 0.000 1.066 250 Y HN 0.202 nan 8.280 nan 0.000 0.516 251 S N -0.291 115.055 115.700 -0.589 0.000 2.542 251 S HA 0.429 4.899 4.470 -0.000 0.000 0.293 251 S C -0.388 174.105 174.600 -0.177 0.000 1.089 251 S CA -0.315 57.598 58.200 -0.478 0.000 0.961 251 S CB 1.378 64.283 63.200 -0.491 0.000 1.062 251 S HN 0.342 nan 8.310 nan 0.000 0.483 252 S N 1.274 116.905 115.700 -0.116 0.000 4.087 252 S HA 0.262 4.732 4.470 -0.000 0.000 0.213 252 S C -0.532 174.107 174.600 0.065 0.000 1.415 252 S CA -0.671 57.521 58.200 -0.013 0.000 0.893 252 S CB -1.003 62.176 63.200 -0.035 0.000 1.529 252 S HN 0.660 nan 8.310 nan 0.000 0.457 253 D N 1.821 122.314 120.400 0.155 0.000 2.357 253 D HA 0.276 4.916 4.640 -0.000 0.000 0.242 253 D C -0.610 175.840 176.300 0.250 0.000 1.153 253 D CA 0.179 54.291 54.000 0.187 0.000 0.918 253 D CB 0.340 41.369 40.800 0.381 0.000 1.181 253 D HN 0.621 nan 8.370 nan 0.000 0.435 254 Y N 0.780 121.030 120.300 -0.084 0.000 2.433 254 Y HA 0.375 4.925 4.550 -0.000 0.000 0.337 254 Y C -1.823 173.974 175.900 -0.170 0.000 1.026 254 Y CA -0.786 57.307 58.100 -0.011 0.000 1.037 254 Y CB 0.945 39.381 38.460 -0.041 0.000 1.245 254 Y HN 0.237 nan 8.280 nan 0.000 0.443 255 Y N 5.817 125.787 120.300 -0.550 0.000 2.512 255 Y HA 0.735 5.285 4.550 -0.000 0.000 0.348 255 Y C -0.853 174.719 175.900 -0.548 0.000 0.990 255 Y CA -1.623 56.250 58.100 -0.379 0.000 1.033 255 Y CB 2.044 40.395 38.460 -0.181 0.000 1.259 255 Y HN 0.439 nan 8.280 nan 0.000 0.461 256 I N 3.694 124.169 120.570 -0.158 0.000 2.548 256 I HA 0.427 4.597 4.170 -0.000 0.000 0.287 256 I C -1.164 174.941 176.117 -0.020 0.000 1.103 256 I CA -0.907 60.317 61.300 -0.125 0.000 1.049 256 I CB 1.771 39.740 38.000 -0.052 0.000 1.232 256 I HN 0.388 nan 8.210 nan 0.000 0.429 257 K N 3.734 124.124 120.400 -0.016 0.000 2.468 257 K HA 0.467 4.787 4.320 -0.000 0.000 0.252 257 K C -0.798 175.821 176.600 0.032 0.000 0.932 257 K CA -0.775 55.524 56.287 0.020 0.000 0.794 257 K CB 2.489 35.006 32.500 0.028 0.000 1.241 257 K HN 0.419 nan 8.250 nan 0.000 0.428 258 T N 1.297 115.877 114.554 0.043 0.000 2.814 258 T HA 0.117 4.467 4.350 -0.000 0.000 0.297 258 T C 1.063 175.802 174.700 0.065 0.000 0.956 258 T CA -0.119 62.015 62.100 0.055 0.000 1.123 258 T CB 0.764 69.660 68.868 0.046 0.000 0.902 258 T HN 0.233 nan 8.240 nan 0.000 0.528 259 V N 2.189 122.157 119.914 0.091 0.000 3.605 259 V HA 0.580 4.699 4.120 -0.000 0.000 0.284 259 V C 0.467 176.612 176.094 0.083 0.000 1.386 259 V CA 0.615 62.977 62.300 0.103 0.000 1.053 259 V CB -0.057 31.869 31.823 0.171 0.000 0.857 259 V HN 1.063 nan 8.190 nan 0.000 0.436 260 A N -0.335 122.527 122.820 0.069 0.000 2.590 260 A HA 0.881 5.200 4.320 -0.000 0.000 0.296 260 A C -1.062 176.541 177.584 0.033 0.000 1.050 260 A CA 0.212 52.274 52.037 0.042 0.000 0.697 260 A CB 1.246 20.265 19.000 0.031 0.000 1.277 260 A HN 0.872 nan 8.150 nan 0.000 0.411 261 A N 0.762 123.593 122.820 0.018 0.000 2.604 261 A HA 0.921 5.241 4.320 -0.000 0.000 0.295 261 A C -1.019 176.566 177.584 0.002 0.000 1.067 261 A CA -0.207 51.838 52.037 0.013 0.000 0.683 261 A CB 1.803 20.814 19.000 0.018 0.000 1.281 261 A HN 1.339 nan 8.150 nan 0.000 0.407 262 E N 0.058 120.257 120.200 -0.002 0.000 2.372 262 E HA 0.555 4.905 4.350 -0.000 0.000 0.279 262 E C -1.486 175.112 176.600 -0.004 0.000 0.946 262 E CA -0.281 56.115 56.400 -0.006 0.000 0.769 262 E CB 1.648 31.338 29.700 -0.016 0.000 1.230 262 E HN 0.748 nan 8.360 nan 0.000 0.442 263 E N 2.078 122.276 120.200 -0.003 0.000 2.260 263 E HA 0.741 5.091 4.350 -0.000 0.000 0.266 263 E C -1.094 175.504 176.600 -0.003 0.000 0.887 263 E CA -1.217 55.182 56.400 -0.002 0.000 0.777 263 E CB 1.538 31.237 29.700 -0.002 0.000 1.205 263 E HN 0.509 nan 8.360 nan 0.000 0.414 264 A N 2.966 125.784 122.820 -0.003 0.000 2.520 264 A HA 0.012 4.332 4.320 -0.000 0.000 0.235 264 A C 0.852 178.435 177.584 -0.002 0.000 1.065 264 A CA -0.156 51.880 52.037 -0.002 0.000 0.764 264 A CB 0.434 19.434 19.000 0.000 0.000 1.002 264 A HN 0.742 nan 8.150 nan 0.000 0.502 265 Q N 0.285 120.084 119.800 -0.001 0.000 2.331 265 Q HA 0.012 4.352 4.340 -0.000 0.000 0.203 265 Q C 0.021 176.021 176.000 -0.000 0.000 0.944 265 Q CA 0.771 56.573 55.803 -0.001 0.000 0.892 265 Q CB -0.050 28.687 28.738 -0.001 0.000 0.983 265 Q HN 0.860 nan 8.270 nan 0.000 0.482 266 E N 0.779 120.979 120.200 0.001 0.000 2.392 266 E HA 0.164 4.514 4.350 -0.000 0.000 0.259 266 E C -0.289 176.313 176.600 0.004 0.000 1.108 266 E CA 0.299 56.701 56.400 0.003 0.000 0.916 266 E CB 0.783 30.486 29.700 0.005 0.000 0.989 266 E HN -0.096 nan 8.360 nan 0.000 0.432 267 K N 0.173 120.576 120.400 0.005 0.000 2.350 267 K HA 0.615 4.935 4.320 -0.000 0.000 0.241 267 K C -1.239 175.367 176.600 0.011 0.000 0.994 267 K CA -1.016 55.274 56.287 0.006 0.000 0.839 267 K CB 2.036 34.538 32.500 0.003 0.000 1.244 267 K HN 0.140 nan 8.250 nan 0.000 0.443 268 V N 3.109 123.032 119.914 0.015 0.000 2.326 268 V HA 0.250 4.370 4.120 -0.000 0.000 0.281 268 V C -2.426 173.682 176.094 0.023 0.000 1.015 268 V CA -2.155 60.158 62.300 0.021 0.000 0.823 268 V CB 1.066 32.907 31.823 0.030 0.000 1.009 268 V HN 0.624 nan 8.190 nan 0.000 0.436 269 P HA 0.257 nan 4.420 nan 0.000 0.272 269 P C -2.685 174.630 177.300 0.025 0.000 1.223 269 P CA -1.591 61.520 63.100 0.019 0.000 0.784 269 P CB -0.090 31.619 31.700 0.015 0.000 0.923 270 P HA -0.058 nan 4.420 nan 0.000 0.264 270 P C -0.203 177.113 177.300 0.027 0.000 1.183 270 P CA 0.865 63.984 63.100 0.032 0.000 0.763 270 P CB -0.272 31.445 31.700 0.028 0.000 0.807 271 N N 0.741 119.459 118.700 0.030 0.000 2.681 271 N HA -0.150 4.590 4.740 -0.000 0.000 0.259 271 N C -1.033 174.489 175.510 0.021 0.000 1.066 271 N CA 1.082 54.146 53.050 0.024 0.000 0.717 271 N CB -1.063 37.435 38.487 0.018 0.000 0.885 271 N HN 0.523 nan 8.380 nan 0.000 0.547 272 S N -1.760 113.954 115.700 0.024 0.000 2.615 272 S HA 0.774 5.244 4.470 -0.000 0.000 0.268 272 S C -0.744 173.871 174.600 0.024 0.000 1.146 272 S CA -0.773 57.439 58.200 0.021 0.000 0.818 272 S CB 1.834 65.045 63.200 0.019 0.000 1.111 272 S HN 0.135 nan 8.310 nan 0.000 0.465 273 S N -0.071 115.641 115.700 0.021 0.000 2.689 273 S HA 0.935 5.405 4.470 -0.000 0.000 0.306 273 S C -1.541 173.071 174.600 0.021 0.000 1.104 273 S CA -0.671 57.542 58.200 0.023 0.000 0.973 273 S CB 1.366 64.577 63.200 0.019 0.000 1.121 273 S HN 1.148 nan 8.310 nan 0.000 0.523 274 L N 1.321 122.558 121.223 0.023 0.000 2.549 274 L HA 0.645 4.985 4.340 -0.000 0.000 0.259 274 L C -1.499 175.383 176.870 0.020 0.000 0.934 274 L CA 0.163 55.014 54.840 0.020 0.000 0.865 274 L CB 1.973 44.044 42.059 0.021 0.000 1.352 274 L HN 0.638 nan 8.230 nan 0.000 0.410 275 T N 4.311 118.873 114.554 0.014 0.000 2.985 275 T HA 0.463 4.813 4.350 -0.000 0.000 0.315 275 T C -0.878 173.828 174.700 0.009 0.000 1.001 275 T CA -0.528 61.580 62.100 0.013 0.000 1.016 275 T CB 1.028 69.902 68.868 0.011 0.000 0.993 275 T HN 0.653 nan 8.240 nan 0.000 0.454 276 K N 1.698 122.103 120.400 0.008 0.000 2.350 276 K HA 0.755 5.075 4.320 -0.000 0.000 0.241 276 K C -0.993 175.606 176.600 -0.001 0.000 0.994 276 K CA -0.626 55.663 56.287 0.003 0.000 0.839 276 K CB 1.768 34.270 32.500 0.003 0.000 1.244 276 K HN 0.399 nan 8.250 nan 0.000 0.443 277 T N 2.551 117.101 114.554 -0.007 0.000 2.809 277 T HA 0.410 4.760 4.350 -0.000 0.000 0.284 277 T C -0.788 173.900 174.700 -0.020 0.000 0.992 277 T CA -0.630 61.461 62.100 -0.014 0.000 0.957 277 T CB 0.485 69.344 68.868 -0.015 0.000 0.942 277 T HN 0.322 nan 8.240 nan 0.000 0.439 278 L N 2.657 123.862 121.223 -0.029 0.000 2.325 278 L HA 0.562 4.902 4.340 -0.000 0.000 0.278 278 L C 0.359 177.196 176.870 -0.055 0.000 1.023 278 L CA -0.795 54.025 54.840 -0.034 0.000 0.811 278 L CB 1.783 43.823 42.059 -0.030 0.000 1.249 278 L HN 0.524 nan 8.230 nan 0.000 0.431 279 T N 4.108 118.631 114.554 -0.052 0.000 2.771 279 T HA 0.625 4.975 4.350 -0.000 0.000 0.281 279 T C -0.230 174.425 174.700 -0.075 0.000 0.982 279 T CA -0.302 61.756 62.100 -0.070 0.000 0.978 279 T CB 1.025 69.863 68.868 -0.049 0.000 0.930 279 T HN 0.274 nan 8.240 nan 0.000 0.447 280 L N 2.931 124.085 121.223 -0.116 0.000 2.323 280 L HA 0.816 5.156 4.340 -0.000 0.000 0.265 280 L C -0.952 175.848 176.870 -0.117 0.000 1.012 280 L CA -1.185 53.592 54.840 -0.105 0.000 0.820 280 L CB 2.283 44.269 42.059 -0.121 0.000 1.334 280 L HN 0.318 nan 8.230 nan 0.000 0.427 281 V N 1.773 121.645 119.914 -0.070 0.000 2.498 281 V HA 0.274 4.394 4.120 -0.000 0.000 0.283 281 V C -2.494 173.588 176.094 -0.021 0.000 1.015 281 V CA -1.297 60.971 62.300 -0.053 0.000 0.867 281 V CB 1.579 33.389 31.823 -0.022 0.000 1.025 281 V HN 0.561 nan 8.190 nan 0.000 0.441 282 P HA 0.501 nan 4.420 nan 0.000 0.280 282 P C -0.917 176.408 177.300 0.041 0.000 1.300 282 P CA 0.081 63.190 63.100 0.016 0.000 0.785 282 P CB 0.522 32.215 31.700 -0.011 0.000 0.874 283 L N 3.220 124.480 121.223 0.062 0.000 2.455 283 L HA 0.275 4.615 4.340 -0.000 0.000 0.264 283 L C 1.110 178.024 176.870 0.073 0.000 0.968 283 L CA -0.943 53.943 54.840 0.076 0.000 0.827 283 L CB 2.387 44.480 42.059 0.058 0.000 1.317 283 L HN 0.137 nan 8.230 nan 0.000 0.407 284 L N 3.121 124.391 121.223 0.078 0.000 2.127 284 L HA -0.107 4.233 4.340 -0.000 0.000 0.211 284 L C 2.361 179.260 176.870 0.048 0.000 1.089 284 L CA 2.399 57.277 54.840 0.064 0.000 0.757 284 L CB -0.427 41.666 42.059 0.056 0.000 0.899 284 L HN 0.823 nan 8.230 nan 0.000 0.434 285 A N -0.293 122.554 122.820 0.044 0.000 2.024 285 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 285 A C 1.905 179.509 177.584 0.032 0.000 1.164 285 A CA 1.889 53.947 52.037 0.035 0.000 0.643 285 A CB -0.741 18.279 19.000 0.034 0.000 0.806 285 A HN 0.673 nan 8.150 nan 0.000 0.451 286 N N 0.703 119.424 118.700 0.035 0.000 2.446 286 N HA -0.036 4.704 4.740 -0.000 0.000 0.179 286 N C -0.285 175.243 175.510 0.031 0.000 1.054 286 N CA 0.323 53.391 53.050 0.030 0.000 0.905 286 N CB -0.308 38.198 38.487 0.031 0.000 0.973 286 N HN 0.589 nan 8.380 nan 0.000 0.448 287 N N 1.509 120.230 118.700 0.035 0.000 2.439 287 N HA 0.189 4.929 4.740 -0.000 0.000 0.249 287 N C 0.659 176.185 175.510 0.026 0.000 1.003 287 N CA -0.227 52.842 53.050 0.033 0.000 0.942 287 N CB 1.523 40.033 38.487 0.039 0.000 1.115 287 N HN 0.060 nan 8.380 nan 0.000 0.505 288 R N 1.016 121.530 120.500 0.023 0.000 2.081 288 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 288 R C 0.401 176.712 176.300 0.018 0.000 1.131 288 R CA 1.096 57.207 56.100 0.019 0.000 0.960 288 R CB -0.034 30.276 30.300 0.017 0.000 0.856 288 R HN 0.528 nan 8.270 nan 0.000 0.436 289 E N 1.249 121.460 120.200 0.019 0.000 2.129 289 E HA 0.005 4.355 4.350 -0.000 0.000 0.283 289 E C 0.032 176.643 176.600 0.018 0.000 1.080 289 E CA 0.208 56.619 56.400 0.018 0.000 0.867 289 E CB 0.591 30.304 29.700 0.021 0.000 1.056 289 E HN 0.044 nan 8.360 nan 0.000 0.404 290 R N 3.463 123.970 120.500 0.012 0.000 2.362 290 R HA 0.204 4.544 4.340 -0.000 0.000 0.227 290 R C 1.434 177.732 176.300 -0.002 0.000 0.905 290 R CA -0.180 55.924 56.100 0.008 0.000 1.067 290 R CB 0.310 30.613 30.300 0.005 0.000 1.078 290 R HN 0.320 nan 8.270 nan 0.000 0.516 291 R N 0.809 121.310 120.500 0.001 0.000 2.082 291 R HA -0.040 4.300 4.340 -0.000 0.000 0.228 291 R C 1.973 178.268 176.300 -0.008 0.000 1.140 291 R CA 1.914 58.013 56.100 -0.003 0.000 0.920 291 R CB -0.729 29.577 30.300 0.009 0.000 0.828 291 R HN 0.255 nan 8.270 nan 0.000 0.430 292 G N 0.786 109.597 108.800 0.018 0.000 2.990 292 G HA2 0.101 4.061 3.960 -0.000 0.000 0.206 292 G HA3 0.101 4.061 3.960 -0.000 0.000 0.206 292 G C 0.312 175.183 174.900 -0.049 0.000 1.169 292 G CA 0.214 45.332 45.100 0.030 0.000 0.819 292 G HN 0.361 nan 8.290 nan 0.000 0.517 293 I N -3.228 117.298 120.570 -0.073 0.000 2.797 293 I HA 0.775 4.945 4.170 -0.000 0.000 0.307 293 I C 0.140 176.183 176.117 -0.123 0.000 1.033 293 I CA -1.706 59.535 61.300 -0.099 0.000 1.071 293 I CB 2.121 40.108 38.000 -0.022 0.000 1.255 293 I HN -0.107 nan 8.210 nan 0.000 0.445 294 A N 5.548 128.292 122.820 -0.127 0.000 2.438 294 A HA 0.609 4.929 4.320 -0.000 0.000 0.280 294 A C -0.260 177.324 177.584 -0.000 0.000 1.160 294 A CA -0.143 51.842 52.037 -0.087 0.000 0.821 294 A CB -0.352 18.592 19.000 -0.093 0.000 1.101 294 A HN 0.653 nan 8.150 nan 0.000 0.515 295 L N 1.571 122.797 121.223 0.006 0.000 2.304 295 L HA 0.475 4.815 4.340 -0.000 0.000 0.268 295 L C 0.563 177.466 176.870 0.055 0.000 1.010 295 L CA -0.878 53.985 54.840 0.037 0.000 0.813 295 L CB 1.538 43.609 42.059 0.020 0.000 1.315 295 L HN 0.778 nan 8.230 nan 0.000 0.445 296 D N -1.183 119.254 120.400 0.061 0.000 2.368 296 D HA 0.291 4.931 4.640 -0.000 0.000 0.218 296 D C 0.284 176.631 176.300 0.078 0.000 1.112 296 D CA -0.048 53.997 54.000 0.075 0.000 0.834 296 D CB 0.776 41.615 40.800 0.065 0.000 0.953 296 D HN 0.578 nan 8.370 nan 0.000 0.505 297 G N -0.899 107.942 108.800 0.068 0.000 2.619 297 G HA2 0.415 4.375 3.960 -0.000 0.000 0.305 297 G HA3 0.415 4.375 3.960 -0.000 0.000 0.305 297 G C -1.388 173.543 174.900 0.051 0.000 1.330 297 G CA -1.062 44.090 45.100 0.086 0.000 0.789 297 G HN 0.023 nan 8.290 nan 0.000 0.487 298 K N -0.149 120.278 120.400 0.046 0.000 2.295 298 K HA 0.387 4.707 4.320 -0.000 0.000 0.270 298 K C 1.597 178.131 176.600 -0.109 0.000 1.011 298 K CA -0.162 56.069 56.287 -0.093 0.000 0.953 298 K CB 0.771 33.082 32.500 -0.315 0.000 0.956 298 K HN 0.333 nan 8.250 nan 0.000 0.477 299 I N 2.663 123.169 120.570 -0.108 0.000 2.361 299 I HA -0.289 3.881 4.170 -0.000 0.000 0.251 299 I C 1.661 177.725 176.117 -0.087 0.000 1.133 299 I CA 1.374 62.630 61.300 -0.073 0.000 1.413 299 I CB -0.273 37.692 38.000 -0.059 0.000 1.073 299 I HN 0.621 nan 8.210 nan 0.000 0.424 300 K N 0.488 120.782 120.400 -0.177 0.000 2.525 300 K HA 0.011 4.330 4.320 -0.000 0.000 0.192 300 K C 0.039 176.595 176.600 -0.072 0.000 1.029 300 K CA 0.464 56.663 56.287 -0.148 0.000 1.029 300 K CB -0.286 32.109 32.500 -0.174 0.000 0.814 300 K HN 0.392 nan 8.250 nan 0.000 0.503 301 H N 0.080 119.150 119.070 0.001 0.000 2.457 301 H HA 0.071 4.627 4.556 -0.000 0.000 0.335 301 H C 0.301 175.624 175.328 -0.008 0.000 1.115 301 H CA -0.965 55.079 56.048 -0.006 0.000 1.219 301 H CB 2.221 31.976 29.762 -0.011 0.000 1.471 301 H HN 0.072 nan 8.280 nan 0.000 0.491 302 E N 2.098 122.372 120.200 0.124 0.000 2.085 302 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 302 E C 1.167 177.788 176.600 0.036 0.000 0.994 302 E CA 1.698 58.130 56.400 0.054 0.000 0.801 302 E CB -0.045 29.671 29.700 0.027 0.000 0.743 302 E HN 0.701 nan 8.360 nan 0.000 0.453 303 D N -0.379 120.033 120.400 0.020 0.000 2.170 303 D HA -0.124 4.516 4.640 -0.000 0.000 0.193 303 D C 0.030 176.332 176.300 0.003 0.000 1.004 303 D CA 1.519 55.507 54.000 -0.019 0.000 0.860 303 D CB -0.311 40.447 40.800 -0.070 0.000 0.931 303 D HN 0.180 nan 8.370 nan 0.000 0.448 304 T N 1.290 115.873 114.554 0.049 0.000 2.946 304 T HA 0.088 4.438 4.350 -0.000 0.000 0.312 304 T C 0.172 174.883 174.700 0.019 0.000 1.066 304 T CA 0.063 62.188 62.100 0.041 0.000 1.138 304 T CB 0.367 69.270 68.868 0.057 0.000 1.014 304 T HN 0.146 nan 8.240 nan 0.000 0.544 305 N N 1.243 119.946 118.700 0.005 0.000 2.831 305 N HA 0.439 5.179 4.740 -0.000 0.000 0.276 305 N C -0.776 174.743 175.510 0.015 0.000 1.416 305 N CA -0.855 52.185 53.050 -0.016 0.000 0.799 305 N CB 1.036 39.453 38.487 -0.115 0.000 1.554 305 N HN 0.301 nan 8.380 nan 0.000 0.541 306 L N 1.191 122.449 121.223 0.058 0.000 2.452 306 L HA 0.356 4.696 4.340 -0.000 0.000 0.267 306 L C 1.105 178.088 176.870 0.189 0.000 1.188 306 L CA -0.398 54.538 54.840 0.161 0.000 0.821 306 L CB 0.229 42.452 42.059 0.274 0.000 1.102 306 L HN 0.587 nan 8.230 nan 0.000 0.470 307 A N 2.262 125.203 122.820 0.202 0.000 2.483 307 A HA 0.355 4.675 4.320 -0.000 0.000 0.238 307 A C 0.361 178.138 177.584 0.323 0.000 1.070 307 A CA -0.273 51.880 52.037 0.194 0.000 0.770 307 A CB 0.062 19.140 19.000 0.130 0.000 1.008 307 A HN 0.713 nan 8.150 nan 0.000 0.497 308 S N 0.626 116.479 115.700 0.256 0.000 2.632 308 S HA 0.330 4.800 4.470 -0.000 0.000 0.267 308 S C 0.634 175.371 174.600 0.228 0.000 1.276 308 S CA -0.541 57.810 58.200 0.251 0.000 0.998 308 S CB 0.802 64.106 63.200 0.174 0.000 0.953 308 S HN 0.748 nan 8.310 nan 0.000 0.547 309 S N 2.084 117.902 115.700 0.197 0.000 2.537 309 S HA 0.095 4.564 4.470 -0.000 0.000 0.286 309 S C 0.448 175.105 174.600 0.094 0.000 1.299 309 S CA -0.210 58.083 58.200 0.154 0.000 1.067 309 S CB 0.066 63.327 63.200 0.100 0.000 0.864 309 S HN 0.660 nan 8.310 nan 0.000 0.494 310 T N 3.931 118.526 114.554 0.067 0.000 2.940 310 T HA 0.225 4.575 4.350 -0.000 0.000 0.309 310 T C 0.247 174.982 174.700 0.058 0.000 1.056 310 T CA 0.251 62.389 62.100 0.064 0.000 1.137 310 T CB -0.073 68.826 68.868 0.052 0.000 0.976 310 T HN 0.415 nan 8.240 nan 0.000 0.547 311 I N 3.890 124.497 120.570 0.061 0.000 2.466 311 I HA 0.346 4.516 4.170 -0.000 0.000 0.279 311 I C -0.230 175.920 176.117 0.056 0.000 1.033 311 I CA -0.562 60.771 61.300 0.055 0.000 1.123 311 I CB 1.081 39.114 38.000 0.056 0.000 1.237 311 I HN 0.465 nan 8.210 nan 0.000 0.460 312 I N 5.682 126.284 120.570 0.053 0.000 2.371 312 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 312 I C 0.564 176.714 176.117 0.055 0.000 1.028 312 I CA -0.504 60.831 61.300 0.057 0.000 1.345 312 I CB 0.927 38.957 38.000 0.051 0.000 1.407 312 I HN 0.538 nan 8.210 nan 0.000 0.501 313 K N 6.550 126.989 120.400 0.066 0.000 2.350 313 K HA 0.069 4.389 4.320 -0.000 0.000 0.279 313 K C 0.243 176.876 176.600 0.056 0.000 1.027 313 K CA -0.341 55.984 56.287 0.063 0.000 0.969 313 K CB 0.717 33.267 32.500 0.083 0.000 0.954 313 K HN 0.599 nan 8.250 nan 0.000 0.474 314 E N 2.588 122.815 120.200 0.046 0.000 2.452 314 E HA -0.013 4.337 4.350 -0.000 0.000 0.261 314 E C 0.612 177.234 176.600 0.037 0.000 0.987 314 E CA 1.177 57.599 56.400 0.038 0.000 0.926 314 E CB 0.212 29.932 29.700 0.032 0.000 0.934 314 E HN 0.861 nan 8.360 nan 0.000 0.452 315 G N 3.933 112.751 108.800 0.029 0.000 2.358 315 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.224 315 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.224 315 G C 0.129 175.041 174.900 0.020 0.000 1.073 315 G CA 0.045 45.159 45.100 0.023 0.000 0.635 315 G HN 0.540 nan 8.290 nan 0.000 0.509 316 I N 2.625 123.215 120.570 0.033 0.000 2.618 316 I HA 0.321 4.491 4.170 -0.000 0.000 0.284 316 I C 0.553 176.686 176.117 0.027 0.000 1.146 316 I CA -0.731 60.589 61.300 0.033 0.000 1.425 316 I CB 1.032 39.078 38.000 0.077 0.000 1.383 316 I HN 0.311 nan 8.210 nan 0.000 0.562 317 D N 5.786 126.193 120.400 0.012 0.000 2.382 317 D HA -0.015 4.625 4.640 -0.000 0.000 0.259 317 D C 1.314 177.626 176.300 0.020 0.000 1.224 317 D CA -0.069 53.937 54.000 0.010 0.000 0.894 317 D CB 0.733 41.532 40.800 -0.001 0.000 1.127 317 D HN 0.576 nan 8.370 nan 0.000 0.487 318 K N 1.712 122.123 120.400 0.019 0.000 2.293 318 K HA -0.214 4.106 4.320 -0.000 0.000 0.204 318 K C 1.327 177.933 176.600 0.010 0.000 1.045 318 K CA 1.384 57.684 56.287 0.022 0.000 0.933 318 K CB -0.326 32.186 32.500 0.019 0.000 0.736 318 K HN 0.316 nan 8.250 nan 0.000 0.463 319 T N 1.219 115.771 114.554 -0.003 0.000 2.746 319 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 319 T C 1.770 176.453 174.700 -0.027 0.000 1.039 319 T CA 1.423 63.507 62.100 -0.027 0.000 1.142 319 T CB -0.180 68.674 68.868 -0.025 0.000 0.866 319 T HN 0.096 nan 8.240 nan 0.000 0.444 320 V N 1.861 121.783 119.914 0.013 0.000 3.186 320 V HA -0.094 4.026 4.120 -0.000 0.000 0.270 320 V C 2.092 178.229 176.094 0.071 0.000 1.149 320 V CA 0.984 63.313 62.300 0.050 0.000 1.160 320 V CB -0.688 31.183 31.823 0.081 0.000 0.758 320 V HN 0.491 nan 8.190 nan 0.000 0.516 321 M N -0.775 118.854 119.600 0.049 0.000 2.506 321 M HA 0.210 4.690 4.480 -0.000 0.000 0.260 321 M C 2.093 178.427 176.300 0.057 0.000 1.104 321 M CA 1.089 56.434 55.300 0.075 0.000 1.112 321 M CB -1.082 31.560 32.600 0.070 0.000 1.401 321 M HN 0.458 nan 8.290 nan 0.000 0.473 322 G N 1.744 110.509 108.800 -0.058 0.000 4.236 322 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.222 322 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.222 322 G C 0.493 175.365 174.900 -0.047 0.000 1.354 322 G CA 0.387 45.357 45.100 -0.217 0.000 0.966 322 G HN 0.454 nan 8.290 nan 0.000 0.624 323 I N 1.450 122.089 120.570 0.116 0.000 2.478 323 I HA 0.477 4.647 4.170 -0.000 0.000 0.287 323 I C -0.149 176.020 176.117 0.087 0.000 1.042 323 I CA -0.733 60.648 61.300 0.136 0.000 1.067 323 I CB 1.883 39.998 38.000 0.193 0.000 1.233 323 I HN 0.122 nan 8.210 nan 0.000 0.431 324 L N 6.738 127.998 121.223 0.061 0.000 2.289 324 L HA 0.606 4.946 4.340 -0.000 0.000 0.285 324 L C -0.584 176.287 176.870 0.002 0.000 1.049 324 L CA -0.807 54.056 54.840 0.039 0.000 0.804 324 L CB 1.606 43.688 42.059 0.038 0.000 1.195 324 L HN 0.274 nan 8.230 nan 0.000 0.428 325 V N 2.181 122.085 119.914 -0.018 0.000 2.588 325 V HA 0.638 4.758 4.120 -0.000 0.000 0.304 325 V C -0.314 175.700 176.094 -0.133 0.000 1.042 325 V CA -0.347 61.894 62.300 -0.099 0.000 0.877 325 V CB 2.132 33.917 31.823 -0.063 0.000 0.996 325 V HN 0.935 nan 8.190 nan 0.000 0.425 326 S N 3.776 119.309 115.700 -0.278 0.000 2.556 326 S HA 0.833 5.303 4.470 -0.000 0.000 0.271 326 S C -1.560 172.742 174.600 -0.498 0.000 1.135 326 S CA -0.805 57.245 58.200 -0.250 0.000 0.858 326 S CB 1.654 64.781 63.200 -0.123 0.000 1.114 326 S HN 0.400 nan 8.310 nan 0.000 0.468 327 Y N 0.901 121.000 120.300 -0.334 0.000 2.587 327 Y HA 0.752 5.302 4.550 -0.000 0.000 0.337 327 Y C 0.196 175.836 175.900 -0.433 0.000 1.065 327 Y CA -0.571 57.254 58.100 -0.459 0.000 1.126 327 Y CB 1.853 39.805 38.460 -0.846 0.000 1.279 327 Y HN 0.944 nan 8.280 nan 0.000 0.489 328 Q N 0.468 120.280 119.800 0.020 0.000 2.545 328 Q HA 0.474 4.814 4.340 -0.000 0.000 0.273 328 Q C -2.210 174.012 176.000 0.370 0.000 0.975 328 Q CA -0.909 55.025 55.803 0.219 0.000 0.876 328 Q CB 1.717 30.523 28.738 0.114 0.000 1.472 328 Q HN 0.471 nan 8.270 nan 0.000 0.389 329 I N 1.839 122.621 120.570 0.354 0.000 2.396 329 I HA 0.420 4.590 4.170 -0.000 0.000 0.292 329 I C -0.285 175.910 176.117 0.131 0.000 0.999 329 I CA -0.170 61.242 61.300 0.187 0.000 1.310 329 I CB 1.359 39.395 38.000 0.061 0.000 1.404 329 I HN 0.712 nan 8.210 nan 0.000 0.496 330 K N 5.447 125.907 120.400 0.099 0.000 2.463 330 K HA 0.553 4.873 4.320 -0.000 0.000 0.255 330 K C -1.708 174.934 176.600 0.071 0.000 0.942 330 K CA -0.469 55.872 56.287 0.090 0.000 0.814 330 K CB 1.862 34.414 32.500 0.087 0.000 1.122 330 K HN 0.346 nan 8.250 nan 0.000 0.425 331 V N 4.854 124.816 119.914 0.081 0.000 2.370 331 V HA 0.354 4.474 4.120 -0.000 0.000 0.283 331 V C -0.548 175.587 176.094 0.068 0.000 1.023 331 V CA -0.682 61.659 62.300 0.069 0.000 0.857 331 V CB 1.325 33.195 31.823 0.079 0.000 0.985 331 V HN 0.697 nan 8.190 nan 0.000 0.443 332 K N 5.870 126.291 120.400 0.034 0.000 2.323 332 K HA 0.668 4.988 4.320 -0.000 0.000 0.259 332 K C -1.236 175.350 176.600 -0.025 0.000 0.947 332 K CA -0.548 55.741 56.287 0.004 0.000 0.819 332 K CB 2.148 34.648 32.500 0.001 0.000 1.109 332 K HN 0.500 nan 8.250 nan 0.000 0.429 333 L N 2.189 123.367 121.223 -0.074 0.000 2.309 333 L HA 0.414 4.754 4.340 -0.000 0.000 0.282 333 L C -0.109 176.698 176.870 -0.105 0.000 1.036 333 L CA -0.758 54.033 54.840 -0.082 0.000 0.806 333 L CB 1.809 43.803 42.059 -0.108 0.000 1.220 333 L HN 0.567 nan 8.230 nan 0.000 0.429 334 T N 2.385 116.894 114.554 -0.074 0.000 2.758 334 T HA 0.445 4.795 4.350 -0.000 0.000 0.285 334 T C -0.158 174.493 174.700 -0.082 0.000 0.981 334 T CA -0.392 61.658 62.100 -0.083 0.000 0.965 334 T CB 1.615 70.448 68.868 -0.058 0.000 0.927 334 T HN 0.185 nan 8.240 nan 0.000 0.448 335 V N 3.285 123.126 119.914 -0.122 0.000 2.398 335 V HA 0.290 4.410 4.120 -0.000 0.000 0.286 335 V C 0.610 176.630 176.094 -0.123 0.000 1.026 335 V CA -0.898 61.332 62.300 -0.117 0.000 0.868 335 V CB 1.657 33.371 31.823 -0.181 0.000 0.982 335 V HN 0.987 nan 8.190 nan 0.000 0.443 336 S N 3.736 119.391 115.700 -0.075 0.000 2.784 336 S HA 0.210 4.680 4.470 -0.000 0.000 0.322 336 S C 1.222 175.772 174.600 -0.084 0.000 1.234 336 S CA 0.727 58.888 58.200 -0.064 0.000 1.064 336 S CB -0.015 63.164 63.200 -0.035 0.000 0.787 336 S HN 1.701 nan 8.310 nan 0.000 0.506 337 G N 2.504 111.257 108.800 -0.078 0.000 2.386 337 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.295 337 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.295 337 G C 0.230 175.060 174.900 -0.115 0.000 0.979 337 G CA 0.402 45.456 45.100 -0.077 0.000 1.193 337 G HN 0.656 nan 8.290 nan 0.000 0.508 338 L N 0.055 121.182 121.223 -0.160 0.000 2.586 338 L HA 0.534 4.874 4.340 -0.000 0.000 0.204 338 L C 1.540 178.307 176.870 -0.172 0.000 1.053 338 L CA 0.252 54.947 54.840 -0.241 0.000 0.856 338 L CB -0.043 41.768 42.059 -0.413 0.000 1.192 338 L HN 0.376 nan 8.230 nan 0.000 0.484 339 L N 0.692 121.831 121.223 -0.141 0.000 2.490 339 L HA 0.235 4.575 4.340 -0.000 0.000 0.274 339 L C 1.451 178.281 176.870 -0.067 0.000 1.201 339 L CA 0.924 55.705 54.840 -0.098 0.000 0.869 339 L CB 0.349 42.358 42.059 -0.083 0.000 1.123 339 L HN 0.635 nan 8.230 nan 0.000 0.484 340 G N 2.123 110.892 108.800 -0.052 0.000 2.270 340 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.268 340 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.268 340 G C 0.908 175.793 174.900 -0.025 0.000 0.982 340 G CA 0.618 45.698 45.100 -0.034 0.000 0.628 340 G HN 0.683 nan 8.290 nan 0.000 0.544 341 E N -0.724 119.457 120.200 -0.031 0.000 2.228 341 E HA 0.316 4.666 4.350 -0.000 0.000 0.197 341 E C 2.340 178.957 176.600 0.029 0.000 0.909 341 E CA 0.813 57.208 56.400 -0.007 0.000 0.911 341 E CB 0.042 29.727 29.700 -0.024 0.000 0.887 341 E HN 0.530 nan 8.360 nan 0.000 0.481 342 L N -0.255 120.971 121.223 0.006 0.000 3.259 342 L HA 0.302 4.642 4.340 -0.000 0.000 0.292 342 L C 0.210 177.097 176.870 0.028 0.000 1.219 342 L CA -0.068 54.821 54.840 0.080 0.000 1.035 342 L CB 1.496 43.609 42.059 0.090 0.000 1.424 342 L HN -0.079 nan 8.230 nan 0.000 0.603 343 T N -1.300 113.235 114.554 -0.032 0.000 2.907 343 T HA 0.187 4.537 4.350 -0.000 0.000 0.344 343 T C -0.317 174.355 174.700 -0.046 0.000 1.675 343 T CA 0.120 62.200 62.100 -0.034 0.000 1.076 343 T CB 1.410 70.256 68.868 -0.038 0.000 1.483 343 T HN -0.026 nan 8.240 nan 0.000 0.487 344 S N 1.005 116.685 115.700 -0.033 0.000 2.754 344 S HA 0.488 4.958 4.470 -0.000 0.000 0.247 344 S C 0.328 174.914 174.600 -0.023 0.000 1.031 344 S CA 0.188 58.369 58.200 -0.031 0.000 1.014 344 S CB -0.205 62.979 63.200 -0.026 0.000 0.918 344 S HN 0.986 nan 8.310 nan 0.000 0.519 345 S N 0.845 116.533 115.700 -0.021 0.000 2.671 345 S HA 0.659 5.129 4.470 -0.000 0.000 0.299 345 S C -0.552 174.030 174.600 -0.030 0.000 1.116 345 S CA -1.017 57.179 58.200 -0.007 0.000 0.912 345 S CB 1.151 64.366 63.200 0.025 0.000 1.130 345 S HN 0.565 nan 8.310 nan 0.000 0.501 346 E N -0.121 120.067 120.200 -0.020 0.000 2.345 346 E HA 0.548 4.898 4.350 -0.000 0.000 0.259 346 E C -1.106 175.442 176.600 -0.085 0.000 1.117 346 E CA -1.111 55.259 56.400 -0.051 0.000 0.913 346 E CB 0.693 30.380 29.700 -0.021 0.000 1.057 346 E HN 0.331 nan 8.360 nan 0.000 0.432 347 V N 1.052 120.850 119.914 -0.193 0.000 2.275 347 V HA 0.645 4.765 4.120 -0.000 0.000 0.272 347 V C -0.275 175.662 176.094 -0.262 0.000 1.028 347 V CA -0.136 61.897 62.300 -0.446 0.000 0.810 347 V CB -0.039 31.364 31.823 -0.701 0.000 1.043 347 V HN 0.836 nan 8.190 nan 0.000 0.453 348 A N 3.421 126.267 122.820 0.044 0.000 2.602 348 A HA 0.964 5.284 4.320 -0.000 0.000 0.290 348 A C -0.624 177.173 177.584 0.355 0.000 1.114 348 A CA -0.577 51.563 52.037 0.172 0.000 0.683 348 A CB 2.416 21.474 19.000 0.096 0.000 1.281 348 A HN 0.536 nan 8.150 nan 0.000 0.416 349 T N -0.497 114.213 114.554 0.261 0.000 2.868 349 T HA 0.637 4.987 4.350 -0.000 0.000 0.306 349 T C -1.770 173.016 174.700 0.143 0.000 1.224 349 T CA -0.239 61.989 62.100 0.213 0.000 1.012 349 T CB 1.468 70.462 68.868 0.210 0.000 1.221 349 T HN 0.685 nan 8.240 nan 0.000 0.499 350 E N 0.520 120.790 120.200 0.116 0.000 2.312 350 E HA 0.719 5.069 4.350 -0.000 0.000 0.267 350 E C -1.303 175.358 176.600 0.102 0.000 0.894 350 E CA -0.671 55.794 56.400 0.108 0.000 0.773 350 E CB 2.219 31.981 29.700 0.104 0.000 1.241 350 E HN 0.368 nan 8.360 nan 0.000 0.432 351 V N 2.967 122.954 119.914 0.122 0.000 2.525 351 V HA 0.509 4.629 4.120 -0.000 0.000 0.299 351 V C -2.335 173.880 176.094 0.202 0.000 1.034 351 V CA -1.750 60.629 62.300 0.132 0.000 0.863 351 V CB 1.808 33.697 31.823 0.111 0.000 0.999 351 V HN 0.610 nan 8.190 nan 0.000 0.423 352 P HA 0.639 nan 4.420 nan 0.000 0.282 352 P C -1.278 176.209 177.300 0.312 0.000 1.259 352 P CA -0.275 62.939 63.100 0.190 0.000 0.826 352 P CB 1.734 33.492 31.700 0.097 0.000 1.064 353 F N -1.621 118.391 119.950 0.102 0.000 2.741 353 F HA 0.632 5.159 4.527 -0.000 0.000 0.311 353 F C -1.325 174.556 175.800 0.134 0.000 1.149 353 F CA -1.331 56.742 58.000 0.122 0.000 0.930 353 F CB 1.220 40.306 39.000 0.143 0.000 1.312 353 F HN 0.090 nan 8.300 nan 0.000 0.450 354 R N 1.472 122.064 120.500 0.153 0.000 2.589 354 R HA 0.752 5.092 4.340 -0.000 0.000 0.293 354 R C -1.849 174.501 176.300 0.083 0.000 0.963 354 R CA -1.179 54.923 56.100 0.005 0.000 0.905 354 R CB 2.245 32.584 30.300 0.065 0.000 1.144 354 R HN 0.730 nan 8.270 nan 0.000 0.459 355 L N 4.763 125.915 121.223 -0.117 0.000 2.341 355 L HA 0.615 4.955 4.340 -0.000 0.000 0.278 355 L C -0.690 176.023 176.870 -0.262 0.000 1.005 355 L CA -0.132 54.553 54.840 -0.258 0.000 0.818 355 L CB 1.486 43.079 42.059 -0.778 0.000 1.259 355 L HN 0.794 nan 8.230 nan 0.000 0.418 356 M N 1.304 120.753 119.600 -0.252 0.000 3.604 356 M HA 0.492 4.972 4.480 -0.000 0.000 0.301 356 M C -1.364 174.864 176.300 -0.120 0.000 1.414 356 M CA -0.996 54.223 55.300 -0.136 0.000 0.860 356 M CB 1.625 34.235 32.600 0.016 0.000 1.797 356 M HN 0.337 nan 8.290 nan 0.000 0.489 357 H N -0.206 118.849 119.070 -0.025 0.000 2.488 357 H HA 0.502 5.058 4.556 -0.000 0.000 0.347 357 H C -2.495 172.546 175.328 -0.480 0.000 1.174 357 H CA -1.276 54.610 56.048 -0.269 0.000 1.307 357 H CB 0.813 30.114 29.762 -0.769 0.000 1.517 357 H HN 0.287 nan 8.280 nan 0.000 0.554 358 P HA -0.071 nan 4.420 nan 0.000 0.269 358 P C -0.069 177.024 177.300 -0.345 0.000 1.205 358 P CA 0.303 62.793 63.100 -1.017 0.000 0.780 358 P CB 0.574 31.984 31.700 -0.484 0.000 0.858 359 Q N 2.693 122.305 119.800 -0.312 0.000 2.392 359 Q HA 0.156 4.496 4.340 -0.000 0.000 0.262 359 Q C -1.674 174.244 176.000 -0.137 0.000 1.003 359 Q CA -1.284 54.457 55.803 -0.105 0.000 0.888 359 Q CB -0.484 28.233 28.738 -0.035 0.000 1.260 359 Q HN 0.423 nan 8.270 nan 0.000 0.435 360 P HA 0.240 nan 4.420 nan 0.000 0.279 360 P C -0.671 176.501 177.300 -0.212 0.000 1.282 360 P CA -0.077 62.845 63.100 -0.297 0.000 0.788 360 P CB 1.111 32.531 31.700 -0.467 0.000 1.139 373 E N 0.320 120.227 120.200 -0.487 0.000 2.418 373 E HA 0.203 4.553 4.350 -0.000 0.000 0.283 373 E C -1.647 174.651 176.600 -0.502 0.000 1.178 373 E CA -0.370 55.791 56.400 -0.398 0.000 0.929 373 E CB 0.485 30.059 29.700 -0.210 0.000 1.177 373 E HN 0.401 nan 8.360 nan 0.000 0.429 374 N N 1.729 120.222 118.700 -0.345 0.000 2.537 374 N HA -0.206 4.534 4.740 -0.000 0.000 0.286 374 N C -1.424 173.893 175.510 -0.322 0.000 1.245 374 N CA 0.611 53.513 53.050 -0.248 0.000 0.704 374 N CB -0.953 37.436 38.487 -0.164 0.000 0.910 374 N HN 0.265 nan 8.380 nan 0.000 0.542 375 F N 1.032 120.872 119.950 -0.184 0.000 2.420 375 F HA 0.470 4.997 4.527 -0.000 0.000 0.342 375 F C 0.658 176.153 175.800 -0.508 0.000 1.113 375 F CA -0.780 56.972 58.000 -0.412 0.000 1.059 375 F CB 1.555 40.212 39.000 -0.571 0.000 1.128 375 F HN -0.042 nan 8.300 nan 0.000 0.475 376 V N 4.988 124.717 119.914 -0.310 0.000 2.409 376 V HA 0.367 4.487 4.120 -0.000 0.000 0.291 376 V C -0.497 175.325 176.094 -0.453 0.000 1.020 376 V CA -0.910 61.228 62.300 -0.270 0.000 0.848 376 V CB 1.005 32.750 31.823 -0.132 0.000 0.990 376 V HN 0.409 nan 8.190 nan 0.000 0.430 377 F N 2.631 122.577 119.950 -0.006 0.000 2.385 377 F HA 0.624 5.151 4.527 -0.000 0.000 0.336 377 F C 0.658 176.422 175.800 -0.059 0.000 1.100 377 F CA -0.298 57.685 58.000 -0.029 0.000 1.116 377 F CB 1.157 40.198 39.000 0.069 0.000 1.166 377 F HN 0.448 nan 8.300 nan 0.000 0.511 378 E N 0.436 120.671 120.200 0.058 0.000 2.408 378 E HA 0.246 4.596 4.350 -0.000 0.000 0.275 378 E C -1.373 175.318 176.600 0.151 0.000 0.935 378 E CA -1.164 55.261 56.400 0.041 0.000 0.775 378 E CB 2.374 32.025 29.700 -0.082 0.000 1.277 378 E HN 0.483 nan 8.360 nan 0.000 0.455 379 E N 0.721 121.017 120.200 0.159 0.000 2.398 379 E HA -0.009 4.341 4.350 -0.000 0.000 0.263 379 E C -0.115 176.670 176.600 0.308 0.000 1.046 379 E CA 0.268 56.782 56.400 0.190 0.000 0.908 379 E CB 0.434 30.211 29.700 0.127 0.000 0.963 379 E HN 0.432 nan 8.360 nan 0.000 0.431 380 F N 3.563 123.623 119.950 0.183 0.000 2.128 380 F HA 0.157 4.684 4.527 -0.000 0.000 0.295 380 F C 0.956 176.783 175.800 0.044 0.000 1.100 380 F CA 1.007 59.108 58.000 0.168 0.000 1.260 380 F CB -0.304 38.754 39.000 0.097 0.000 1.009 380 F HN 0.555 nan 8.300 nan 0.000 0.476 381 A N 2.365 125.311 122.820 0.210 0.000 2.600 381 A HA -0.101 4.219 4.320 -0.000 0.000 0.253 381 A C 0.358 177.862 177.584 -0.134 0.000 0.997 381 A CA 0.107 52.186 52.037 0.070 0.000 0.820 381 A CB -0.489 18.565 19.000 0.091 0.000 0.888 381 A HN 0.527 nan 8.150 nan 0.000 0.508 382 R N 1.848 122.156 120.500 -0.321 0.000 2.594 382 R HA 0.152 4.492 4.340 -0.000 0.000 0.272 382 R C 0.709 176.813 176.300 -0.327 0.000 1.074 382 R CA -0.249 55.568 56.100 -0.472 0.000 1.105 382 R CB 0.517 30.327 30.300 -0.817 0.000 1.008 382 R HN 0.888 nan 8.270 nan 0.000 0.472 383 Q N 2.515 122.201 119.800 -0.190 0.000 2.311 383 Q HA -0.038 4.302 4.340 -0.000 0.000 0.272 383 Q C -0.783 175.225 176.000 0.014 0.000 1.012 383 Q CA -0.091 55.676 55.803 -0.060 0.000 0.891 383 Q CB 0.606 29.325 28.738 -0.032 0.000 1.201 383 Q HN 0.398 nan 8.270 nan 0.000 0.391 384 N N 2.479 121.231 118.700 0.086 0.000 2.482 384 N HA 0.027 4.767 4.740 -0.000 0.000 0.260 384 N C -0.388 175.169 175.510 0.077 0.000 1.236 384 N CA -0.401 52.733 53.050 0.139 0.000 0.938 384 N CB 0.387 38.940 38.487 0.110 0.000 1.128 384 N HN 0.532 nan 8.380 nan 0.000 0.448 385 L N 2.867 124.132 121.223 0.070 0.000 3.783 385 L HA -0.104 4.236 4.340 -0.000 0.000 0.267 385 L C 0.436 177.325 176.870 0.032 0.000 1.502 385 L CA 0.287 55.154 54.840 0.045 0.000 1.111 385 L CB -1.999 40.083 42.059 0.037 0.000 1.424 385 L HN 0.504 nan 8.230 nan 0.000 0.439 386 K N 0.000 120.417 120.400 0.028 0.000 2.780 386 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 386 K CA 0.000 56.301 56.287 0.023 0.000 0.838 386 K CB 0.000 32.512 32.500 0.019 0.000 1.064 386 K HN 0.000 nan 8.250 nan 0.000 0.543