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 1xxh_1_C DATA FIRST_RESID 3 DATA SEQUENCE YQVLARKWRP QTFADVVGQE HVLTALANGL SLGRIHHAYL FSGTRGVGKT DATA SEQUENCE SIARLLAKGL NCETGITATP CGVCDNCREI EQGRFVDLIE IDAASRTKVE DATA SEQUENCE DTRDLLDNVQ YAPARGRFKV YLIDEVHMLS RHSFNALLKT LEEPPEHVKF DATA SEQUENCE LLATTDPQKL PVTILSRCLQ FHLKALDVEQ IRHQLEHILN EEHIAHEPRA DATA SEQUENCE LQLLARAAEG SLRDALSLTD QAIASGDGQV STQAVSAMLG TLDDDQALSL DATA SEQUENCE VEAMVEANGE RVMALINEAA ARGIEWEALL VEMLGLLHRI AMVQLSPAAL DATA SEQUENCE GNDMAAIELR MRELARTIPP TDIQLYYQTL LIGRKELPYA PDRRMGVEMT DATA SEQUENCE LLRALAFHPR MPLPEP 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.919 175.900 0.032 0.000 1.272 3 Y CA 0.000 58.114 58.100 0.023 0.000 1.940 3 Y CB 0.000 38.475 38.460 0.024 0.000 1.050 4 Q N 2.031 121.858 119.800 0.044 0.000 2.527 4 Q HA -0.148 4.192 4.340 0.000 0.000 0.239 4 Q C -0.142 175.812 176.000 -0.076 0.000 1.336 4 Q CA 0.927 56.729 55.803 -0.001 0.000 0.764 4 Q CB -0.097 28.664 28.738 0.038 0.000 0.859 4 Q HN 0.893 nan 8.270 nan 0.000 0.306 5 V N 1.477 121.353 119.914 -0.064 0.000 2.415 5 V HA 0.070 4.191 4.120 0.000 0.000 0.267 5 V C 1.730 177.820 176.094 -0.005 0.000 1.042 5 V CA -0.083 62.170 62.300 -0.079 0.000 1.000 5 V CB 0.309 32.098 31.823 -0.057 0.000 1.015 5 V HN 0.733 nan 8.190 nan 0.000 0.478 6 L N 3.799 125.031 121.223 0.015 0.000 2.123 6 L HA -0.290 4.050 4.340 0.000 0.000 0.217 6 L C 2.785 179.740 176.870 0.141 0.000 1.081 6 L CA 2.012 56.949 54.840 0.161 0.000 0.772 6 L CB -1.105 40.966 42.059 0.020 0.000 0.890 6 L HN 0.794 nan 8.230 nan 0.000 0.437 7 A N -0.179 122.665 122.820 0.040 0.000 2.148 7 A HA -0.254 4.066 4.320 0.000 0.000 0.222 7 A C 2.516 180.129 177.584 0.049 0.000 1.161 7 A CA 2.237 54.292 52.037 0.031 0.000 0.662 7 A CB -0.591 18.408 19.000 -0.003 0.000 0.799 7 A HN 0.557 nan 8.150 nan 0.000 0.466 8 R N -1.237 119.296 120.500 0.056 0.000 2.194 8 R HA 0.146 4.486 4.340 0.000 0.000 0.194 8 R C 2.022 178.346 176.300 0.040 0.000 0.985 8 R CA 0.654 56.775 56.100 0.035 0.000 1.104 8 R CB -0.169 30.139 30.300 0.014 0.000 1.092 8 R HN 0.354 nan 8.270 nan 0.000 0.555 9 K N -0.522 119.923 120.400 0.075 0.000 2.442 9 K HA -0.117 4.203 4.320 0.000 0.000 0.198 9 K C 0.089 176.598 176.600 -0.152 0.000 1.042 9 K CA 1.101 57.387 56.287 -0.003 0.000 0.958 9 K CB 0.155 32.691 32.500 0.060 0.000 0.766 9 K HN 0.242 nan 8.250 nan 0.000 0.474 10 W N 0.894 122.172 121.300 -0.036 0.000 2.702 10 W HA 0.280 4.940 4.660 0.000 0.000 0.369 10 W C -0.170 176.328 176.519 -0.036 0.000 0.987 10 W CA -0.741 56.585 57.345 -0.032 0.000 1.702 10 W CB 0.333 29.774 29.460 -0.032 0.000 1.138 10 W HN -0.161 nan 8.180 nan 0.000 0.552 11 R N 2.567 123.125 120.500 0.097 0.000 2.486 11 R HA 0.018 4.358 4.340 0.000 0.000 0.303 11 R C -2.182 174.126 176.300 0.012 0.000 0.958 11 R CA -0.879 55.246 56.100 0.042 0.000 1.077 11 R CB 0.231 30.536 30.300 0.009 0.000 0.921 11 R HN -0.217 nan 8.270 nan 0.000 0.406 12 P HA -0.060 nan 4.420 nan 0.000 0.262 12 P C -0.292 176.995 177.300 -0.020 0.000 1.182 12 P CA 0.124 63.221 63.100 -0.006 0.000 0.761 12 P CB 0.945 32.634 31.700 -0.018 0.000 0.795 13 Q N 0.834 120.619 119.800 -0.026 0.000 2.388 13 Q HA 0.087 4.427 4.340 0.000 0.000 0.204 13 Q C 0.789 176.780 176.000 -0.015 0.000 0.946 13 Q CA 1.248 57.030 55.803 -0.036 0.000 0.880 13 Q CB -0.148 28.554 28.738 -0.060 0.000 0.997 13 Q HN 0.435 nan 8.270 nan 0.000 0.552 14 T N 0.266 114.821 114.554 0.002 0.000 2.920 14 T HA 0.238 4.588 4.350 0.000 0.000 0.292 14 T C 0.623 175.428 174.700 0.175 0.000 1.093 14 T CA -0.499 61.616 62.100 0.026 0.000 0.944 14 T CB 0.270 69.135 68.868 -0.005 0.000 1.605 14 T HN -0.095 nan 8.240 nan 0.000 0.590 15 F N 0.450 120.347 119.950 -0.088 0.000 2.446 15 F HA 0.323 4.850 4.527 0.000 0.000 0.292 15 F C 2.508 178.256 175.800 -0.087 0.000 1.096 15 F CA -0.109 57.832 58.000 -0.098 0.000 1.438 15 F CB -1.263 37.678 39.000 -0.098 0.000 1.107 15 F HN 0.582 nan 8.300 nan 0.000 0.546 16 A N 0.097 122.990 122.820 0.122 0.000 1.940 16 A HA -0.203 4.117 4.320 0.000 0.000 0.219 16 A C 1.888 179.476 177.584 0.007 0.000 1.176 16 A CA 2.114 54.173 52.037 0.037 0.000 0.631 16 A CB -0.767 18.242 19.000 0.014 0.000 0.814 16 A HN 0.262 nan 8.150 nan 0.000 0.446 17 D N -0.235 120.173 120.400 0.014 0.000 2.218 17 D HA 0.001 4.641 4.640 0.000 0.000 0.204 17 D C 1.042 177.338 176.300 -0.007 0.000 0.976 17 D CA 0.533 54.538 54.000 0.008 0.000 0.853 17 D CB -0.635 40.169 40.800 0.006 0.000 0.939 17 D HN 0.250 nan 8.370 nan 0.000 0.481 18 V N 0.717 120.606 119.914 -0.042 0.000 3.484 18 V HA 0.038 4.158 4.120 0.000 0.000 0.304 18 V C 0.666 176.713 176.094 -0.080 0.000 1.116 18 V CA -0.199 62.047 62.300 -0.089 0.000 1.187 18 V CB 1.238 32.953 31.823 -0.181 0.000 1.062 18 V HN -0.134 nan 8.190 nan 0.000 0.489 19 V N 0.698 120.559 119.914 -0.089 0.000 2.604 19 V HA 0.680 4.800 4.120 0.000 0.000 0.305 19 V C 1.166 177.202 176.094 -0.096 0.000 1.043 19 V CA 0.128 62.378 62.300 -0.083 0.000 0.888 19 V CB 0.658 32.444 31.823 -0.062 0.000 0.995 19 V HN 1.161 nan 8.190 nan 0.000 0.429 20 G N 2.757 111.496 108.800 -0.102 0.000 2.335 20 G HA2 -0.337 3.623 3.960 0.000 0.000 0.264 20 G HA3 -0.337 3.623 3.960 0.000 0.000 0.264 20 G C 0.562 175.398 174.900 -0.105 0.000 0.990 20 G CA 1.102 46.141 45.100 -0.101 0.000 0.647 20 G HN 0.814 nan 8.290 nan 0.000 0.561 21 Q N 0.318 120.049 119.800 -0.116 0.000 2.620 21 Q HA 0.246 4.587 4.340 0.000 0.000 0.333 21 Q C 1.452 177.361 176.000 -0.151 0.000 1.017 21 Q CA 0.116 55.852 55.803 -0.111 0.000 0.962 21 Q CB 0.070 28.735 28.738 -0.122 0.000 1.297 21 Q HN 0.721 nan 8.270 nan 0.000 0.419 22 E N 0.626 120.710 120.200 -0.193 0.000 2.026 22 E HA -0.251 4.099 4.350 0.000 0.000 0.206 22 E C 1.398 177.879 176.600 -0.198 0.000 1.028 22 E CA 1.295 57.553 56.400 -0.237 0.000 0.845 22 E CB -0.127 29.369 29.700 -0.341 0.000 0.772 22 E HN 0.555 nan 8.360 nan 0.000 0.462 23 H N 0.047 119.103 119.070 -0.023 0.000 2.330 23 H HA -0.144 4.412 4.556 0.000 0.000 0.290 23 H C 2.184 177.516 175.328 0.006 0.000 1.111 23 H CA 1.629 57.682 56.048 0.008 0.000 1.226 23 H CB -0.576 29.203 29.762 0.029 0.000 1.355 23 H HN 0.069 nan 8.280 nan 0.000 0.485 24 V N 0.882 120.835 119.914 0.065 0.000 3.380 24 V HA -0.076 4.044 4.120 0.000 0.000 0.268 24 V C 2.473 178.379 176.094 -0.313 0.000 1.168 24 V CA 0.587 62.841 62.300 -0.077 0.000 1.156 24 V CB -0.342 31.445 31.823 -0.060 0.000 0.785 24 V HN 0.222 nan 8.190 nan 0.000 0.487 25 L N -0.835 120.251 121.223 -0.229 0.000 2.286 25 L HA -0.001 4.339 4.340 0.000 0.000 0.203 25 L C 2.592 179.415 176.870 -0.079 0.000 1.068 25 L CA 1.002 55.665 54.840 -0.295 0.000 0.811 25 L CB -0.607 41.280 42.059 -0.286 0.000 0.989 25 L HN 0.247 nan 8.230 nan 0.000 0.467 26 T N 0.596 115.140 114.554 -0.016 0.000 2.699 26 T HA -0.237 4.113 4.350 0.000 0.000 0.268 26 T C 1.916 176.677 174.700 0.101 0.000 1.036 26 T CA 1.571 63.706 62.100 0.059 0.000 1.147 26 T CB -0.241 68.671 68.868 0.074 0.000 0.862 26 T HN 0.419 nan 8.240 nan 0.000 0.446 27 A N 0.800 123.687 122.820 0.112 0.000 2.019 27 A HA 0.067 4.387 4.320 0.000 0.000 0.219 27 A C 2.201 179.912 177.584 0.210 0.000 1.164 27 A CA 1.025 53.191 52.037 0.216 0.000 0.644 27 A CB -0.580 18.672 19.000 0.420 0.000 0.805 27 A HN 0.496 nan 8.150 nan 0.000 0.449 28 L N -1.597 119.673 121.223 0.077 0.000 2.477 28 L HA 0.040 4.380 4.340 0.000 0.000 0.220 28 L C 2.827 179.851 176.870 0.256 0.000 1.106 28 L CA 0.757 55.697 54.840 0.165 0.000 0.851 28 L CB -0.443 41.667 42.059 0.085 0.000 0.994 28 L HN 0.439 nan 8.230 nan 0.000 0.462 29 A N 0.484 123.438 122.820 0.224 0.000 1.929 29 A HA -0.150 4.170 4.320 0.000 0.000 0.216 29 A C 1.925 179.572 177.584 0.104 0.000 1.176 29 A CA 1.333 53.465 52.037 0.157 0.000 0.628 29 A CB -0.280 18.802 19.000 0.138 0.000 0.816 29 A HN 0.370 nan 8.150 nan 0.000 0.444 30 N N 0.429 119.206 118.700 0.128 0.000 2.093 30 N HA -0.037 4.703 4.740 0.000 0.000 0.191 30 N C 1.998 177.589 175.510 0.135 0.000 1.062 30 N CA 1.584 54.707 53.050 0.120 0.000 0.854 30 N CB -1.347 37.221 38.487 0.135 0.000 1.043 30 N HN 0.337 nan 8.380 nan 0.000 0.438 31 G N 2.053 110.968 108.800 0.192 0.000 2.759 31 G HA2 -0.305 3.656 3.960 0.000 0.000 0.224 31 G HA3 -0.305 3.656 3.960 0.000 0.000 0.224 31 G C 1.541 176.541 174.900 0.167 0.000 1.173 31 G CA 1.376 46.614 45.100 0.230 0.000 0.770 31 G HN 0.294 nan 8.290 nan 0.000 0.626 32 L N 0.415 121.709 121.223 0.118 0.000 2.131 32 L HA -0.069 4.271 4.340 0.000 0.000 0.210 32 L C 3.159 180.050 176.870 0.036 0.000 1.092 32 L CA 1.308 56.175 54.840 0.046 0.000 0.759 32 L CB -0.192 41.842 42.059 -0.043 0.000 0.903 32 L HN 0.251 nan 8.230 nan 0.000 0.435 33 S N -0.322 115.404 115.700 0.043 0.000 2.395 33 S HA 0.030 4.500 4.470 0.000 0.000 0.225 33 S C 1.731 176.361 174.600 0.050 0.000 1.027 33 S CA 0.764 58.985 58.200 0.034 0.000 0.965 33 S CB 0.001 63.220 63.200 0.031 0.000 0.812 33 S HN 0.313 nan 8.310 nan 0.000 0.482 34 L N 0.767 122.032 121.223 0.071 0.000 2.592 34 L HA 0.272 4.612 4.340 0.000 0.000 0.227 34 L C 1.810 178.728 176.870 0.080 0.000 1.127 34 L CA 0.387 55.270 54.840 0.071 0.000 0.884 34 L CB -0.471 41.635 42.059 0.078 0.000 1.065 34 L HN 0.517 nan 8.230 nan 0.000 0.457 35 G N 0.256 109.113 108.800 0.095 0.000 2.212 35 G HA2 -0.311 3.649 3.960 0.000 0.000 0.266 35 G HA3 -0.311 3.649 3.960 0.000 0.000 0.266 35 G C 0.613 175.590 174.900 0.128 0.000 0.978 35 G CA -0.159 45.010 45.100 0.114 0.000 0.632 35 G HN 0.229 nan 8.290 nan 0.000 0.537 36 R N 0.566 121.140 120.500 0.123 0.000 3.853 36 R HA 0.112 4.453 4.340 0.000 0.000 0.169 36 R C 0.747 177.153 176.300 0.176 0.000 1.823 36 R CA -0.025 56.138 56.100 0.104 0.000 1.283 36 R CB -1.309 29.075 30.300 0.141 0.000 1.323 36 R HN 0.659 nan 8.270 nan 0.000 0.741 37 I N 2.869 123.537 120.570 0.162 0.000 2.322 37 I HA 0.046 4.216 4.170 0.000 0.000 0.292 37 I C 0.563 176.760 176.117 0.134 0.000 1.060 37 I CA -0.311 61.145 61.300 0.259 0.000 1.309 37 I CB 0.272 38.436 38.000 0.274 0.000 1.415 37 I HN 0.381 nan 8.210 nan 0.000 0.492 38 H N 6.324 125.403 119.070 0.016 0.000 2.597 38 H HA 0.119 4.675 4.556 0.000 0.000 0.370 38 H C 0.660 175.955 175.328 -0.054 0.000 1.281 38 H CA -0.165 55.834 56.048 -0.082 0.000 1.422 38 H CB 0.783 30.355 29.762 -0.315 0.000 1.524 38 H HN 0.691 nan 8.280 nan 0.000 0.607 39 H N -0.480 118.604 119.070 0.023 0.000 2.535 39 H HA 0.304 4.860 4.556 0.000 0.000 0.273 39 H C -0.198 175.189 175.328 0.097 0.000 0.983 39 H CA 0.465 56.553 56.048 0.066 0.000 1.238 39 H CB 0.346 30.151 29.762 0.072 0.000 1.412 39 H HN 0.462 nan 8.280 nan 0.000 0.562 40 A N 0.397 122.874 122.820 -0.572 0.000 2.427 40 A HA 0.530 4.850 4.320 0.000 0.000 0.298 40 A C -1.993 175.294 177.584 -0.495 0.000 1.036 40 A CA -0.678 51.132 52.037 -0.379 0.000 0.701 40 A CB 1.080 19.803 19.000 -0.462 0.000 1.250 40 A HN 0.226 nan 8.150 nan 0.000 0.412 41 Y N 1.472 121.705 120.300 -0.112 0.000 2.328 41 Y HA 0.572 5.123 4.550 0.000 0.000 0.337 41 Y C -0.193 175.488 175.900 -0.366 0.000 0.966 41 Y CA -0.493 57.454 58.100 -0.255 0.000 1.136 41 Y CB 2.016 40.365 38.460 -0.185 0.000 1.170 41 Y HN 0.669 nan 8.280 nan 0.000 0.470 42 L N 4.498 125.518 121.223 -0.340 0.000 2.317 42 L HA 0.640 4.980 4.340 0.000 0.000 0.281 42 L C -1.770 174.872 176.870 -0.379 0.000 1.024 42 L CA -0.490 54.189 54.840 -0.269 0.000 0.810 42 L CB 0.531 42.480 42.059 -0.182 0.000 1.240 42 L HN 0.388 nan 8.230 nan 0.000 0.427 43 F N 3.244 123.260 119.950 0.110 0.000 2.496 43 F HA 0.491 5.018 4.527 0.000 0.000 0.341 43 F C 0.179 175.964 175.800 -0.025 0.000 1.134 43 F CA -0.632 57.417 58.000 0.083 0.000 0.968 43 F CB 1.770 40.812 39.000 0.071 0.000 1.205 43 F HN 0.485 nan 8.300 nan 0.000 0.436 44 S N 1.664 117.404 115.700 0.066 0.000 2.651 44 S HA 1.002 5.472 4.470 0.000 0.000 0.291 44 S C -0.096 174.301 174.600 -0.338 0.000 1.141 44 S CA -0.326 57.773 58.200 -0.169 0.000 1.027 44 S CB 1.991 65.024 63.200 -0.278 0.000 1.043 44 S HN 1.282 nan 8.310 nan 0.000 0.530 45 G N 0.702 109.307 108.800 -0.324 0.000 2.352 45 G HA2 0.385 4.345 3.960 0.000 0.000 0.305 45 G HA3 0.385 4.345 3.960 0.000 0.000 0.305 45 G C -0.547 174.302 174.900 -0.086 0.000 1.537 45 G CA -0.569 44.388 45.100 -0.238 0.000 0.959 45 G HN 0.854 nan 8.290 nan 0.000 0.668 46 T N 0.020 114.561 114.554 -0.022 0.000 2.616 46 T HA 0.380 4.730 4.350 0.000 0.000 0.327 46 T C 1.088 175.783 174.700 -0.008 0.000 1.049 46 T CA 0.536 62.636 62.100 -0.000 0.000 1.022 46 T CB 0.193 69.074 68.868 0.020 0.000 1.009 46 T HN 0.963 nan 8.240 nan 0.000 0.535 47 R N -0.686 119.814 120.500 0.000 0.000 2.404 47 R HA 0.544 4.884 4.340 0.000 0.000 0.291 47 R C 0.963 177.259 176.300 -0.006 0.000 1.025 47 R CA 0.260 56.359 56.100 -0.000 0.000 0.991 47 R CB 0.434 30.739 30.300 0.008 0.000 1.053 47 R HN 0.842 nan 8.270 nan 0.000 0.479 48 G N 1.179 109.971 108.800 -0.014 0.000 2.259 48 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 48 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 48 G C -0.317 174.566 174.900 -0.029 0.000 1.001 48 G CA -0.074 45.014 45.100 -0.019 0.000 0.627 48 G HN 0.562 nan 8.290 nan 0.000 0.501 49 V N 1.888 121.784 119.914 -0.030 0.000 2.546 49 V HA 0.572 4.692 4.120 0.000 0.000 0.284 49 V C 1.707 177.757 176.094 -0.074 0.000 1.050 49 V CA 0.379 62.653 62.300 -0.044 0.000 0.981 49 V CB 1.492 33.297 31.823 -0.030 0.000 0.990 49 V HN 0.863 nan 8.190 nan 0.000 0.474 50 G N 3.544 112.281 108.800 -0.104 0.000 3.157 50 G HA2 -0.086 3.874 3.960 0.000 0.000 0.232 50 G HA3 -0.086 3.874 3.960 0.000 0.000 0.232 50 G C 1.033 175.799 174.900 -0.224 0.000 0.989 50 G CA 0.020 45.031 45.100 -0.148 0.000 1.826 50 G HN 0.841 nan 8.290 nan 0.000 0.580 51 K N 0.009 120.305 120.400 -0.175 0.000 1.973 51 K HA -0.146 4.174 4.320 0.000 0.000 0.212 51 K C 3.007 179.469 176.600 -0.231 0.000 1.047 51 K CA 1.907 58.073 56.287 -0.203 0.000 0.937 51 K CB -0.453 32.016 32.500 -0.052 0.000 0.721 51 K HN 0.480 nan 8.250 nan 0.000 0.440 52 T N -0.751 113.740 114.554 -0.105 0.000 2.674 52 T HA -0.190 4.160 4.350 0.000 0.000 0.265 52 T C 2.244 176.873 174.700 -0.117 0.000 1.039 52 T CA 1.994 64.054 62.100 -0.067 0.000 1.150 52 T CB -0.544 68.310 68.868 -0.023 0.000 0.864 52 T HN 0.156 nan 8.240 nan 0.000 0.427 53 S N 0.872 116.494 115.700 -0.130 0.000 2.365 53 S HA -0.054 4.416 4.470 0.000 0.000 0.225 53 S C 2.042 176.530 174.600 -0.187 0.000 1.039 53 S CA 1.511 59.633 58.200 -0.129 0.000 1.033 53 S CB -0.727 62.404 63.200 -0.116 0.000 0.887 53 S HN 0.614 nan 8.310 nan 0.000 0.447 54 I N 1.134 121.514 120.570 -0.316 0.000 2.830 54 I HA -0.045 4.125 4.170 0.000 0.000 0.263 54 I C 2.500 178.351 176.117 -0.444 0.000 1.230 54 I CA 0.679 61.705 61.300 -0.457 0.000 1.480 54 I CB -0.361 37.231 38.000 -0.680 0.000 1.095 54 I HN 0.398 nan 8.210 nan 0.000 0.455 55 A N 0.994 123.599 122.820 -0.358 0.000 1.897 55 A HA -0.139 4.181 4.320 0.000 0.000 0.215 55 A C 2.357 179.915 177.584 -0.044 0.000 1.181 55 A CA 1.042 52.991 52.037 -0.146 0.000 0.620 55 A CB -0.355 18.642 19.000 -0.005 0.000 0.821 55 A HN 0.275 nan 8.150 nan 0.000 0.443 56 R N -0.308 120.158 120.500 -0.057 0.000 2.096 56 R HA 0.017 4.357 4.340 0.000 0.000 0.235 56 R C 1.626 177.909 176.300 -0.029 0.000 1.127 56 R CA 1.212 57.288 56.100 -0.040 0.000 0.968 56 R CB -0.513 29.757 30.300 -0.049 0.000 0.861 56 R HN 0.457 nan 8.270 nan 0.000 0.440 57 L N 1.001 122.231 121.223 0.012 0.000 2.642 57 L HA -0.132 4.208 4.340 0.000 0.000 0.236 57 L C 1.823 178.828 176.870 0.225 0.000 1.169 57 L CA 0.250 55.185 54.840 0.159 0.000 0.851 57 L CB -0.187 42.069 42.059 0.329 0.000 0.968 57 L HN 0.206 nan 8.230 nan 0.000 0.453 58 L N -0.379 120.894 121.223 0.084 0.000 2.347 58 L HA 0.200 4.540 4.340 0.000 0.000 0.196 58 L C 2.483 179.300 176.870 -0.087 0.000 1.072 58 L CA 1.459 56.308 54.840 0.015 0.000 0.817 58 L CB -0.432 41.613 42.059 -0.023 0.000 1.029 58 L HN 0.027 nan 8.230 nan 0.000 0.478 59 A N -0.963 121.816 122.820 -0.070 0.000 2.216 59 A HA -0.171 4.149 4.320 0.000 0.000 0.214 59 A C 2.232 179.724 177.584 -0.153 0.000 1.160 59 A CA 1.462 53.445 52.037 -0.091 0.000 0.725 59 A CB -0.545 18.428 19.000 -0.044 0.000 0.784 59 A HN 0.435 nan 8.150 nan 0.000 0.472 60 K N -1.309 119.000 120.400 -0.150 0.000 2.352 60 K HA 0.074 4.394 4.320 0.000 0.000 0.194 60 K C 1.438 177.931 176.600 -0.178 0.000 1.038 60 K CA 0.653 56.829 56.287 -0.185 0.000 1.023 60 K CB 0.060 32.471 32.500 -0.149 0.000 0.840 60 K HN 0.393 nan 8.250 nan 0.000 0.519 61 G N -0.053 108.637 108.800 -0.184 0.000 3.159 61 G HA2 0.117 4.077 3.960 0.000 0.000 0.232 61 G HA3 0.117 4.077 3.960 0.000 0.000 0.232 61 G C 0.953 175.756 174.900 -0.162 0.000 1.116 61 G CA -0.221 44.757 45.100 -0.204 0.000 0.767 61 G HN 0.049 nan 8.290 nan 0.000 0.547 62 L N -0.352 120.774 121.223 -0.162 0.000 2.347 62 L HA 0.210 4.550 4.340 0.000 0.000 0.196 62 L C 1.748 178.617 176.870 -0.002 0.000 1.072 62 L CA 0.269 54.982 54.840 -0.212 0.000 0.817 62 L CB 0.056 41.871 42.059 -0.407 0.000 1.029 62 L HN 0.004 nan 8.230 nan 0.000 0.478 63 N N -0.274 118.443 118.700 0.028 0.000 2.398 63 N HA -0.011 4.729 4.740 0.000 0.000 0.188 63 N C 0.432 175.989 175.510 0.078 0.000 1.122 63 N CA 0.048 53.187 53.050 0.148 0.000 0.866 63 N CB -0.222 38.407 38.487 0.237 0.000 0.970 63 N HN 0.209 nan 8.380 nan 0.000 0.462 64 C N 1.869 121.165 119.300 -0.007 0.000 2.563 64 C HA -0.008 4.452 4.460 0.000 0.000 0.411 64 C C 1.902 176.907 174.990 0.024 0.000 1.386 64 C CA -0.106 58.897 59.018 -0.026 0.000 1.703 64 C CB -0.190 27.511 27.740 -0.064 0.000 2.596 64 C HN 0.459 nan 8.230 nan 0.000 0.605 65 E N 1.549 121.763 120.200 0.023 0.000 2.268 65 E HA -0.112 4.238 4.350 0.000 0.000 0.195 65 E C 1.802 178.414 176.600 0.021 0.000 0.995 65 E CA 1.450 57.871 56.400 0.035 0.000 0.836 65 E CB 0.065 29.784 29.700 0.032 0.000 0.763 65 E HN 0.865 nan 8.360 nan 0.000 0.491 66 T N 0.455 115.010 114.554 0.003 0.000 3.155 66 T HA 0.106 4.456 4.350 0.000 0.000 0.264 66 T C 0.597 175.301 174.700 0.006 0.000 1.160 66 T CA 0.564 62.662 62.100 -0.004 0.000 1.075 66 T CB -0.088 68.766 68.868 -0.023 0.000 0.921 66 T HN 0.446 nan 8.240 nan 0.000 0.533 67 G N 1.278 110.092 108.800 0.023 0.000 2.655 67 G HA2 -0.154 3.806 3.960 0.000 0.000 0.680 67 G HA3 -0.154 3.806 3.960 0.000 0.000 0.680 67 G C -0.552 174.372 174.900 0.040 0.000 1.302 67 G CA -1.019 44.108 45.100 0.044 0.000 0.872 67 G HN 0.377 nan 8.290 nan 0.000 0.540 68 I N 2.458 123.070 120.570 0.070 0.000 2.573 68 I HA 0.216 4.386 4.170 0.000 0.000 0.295 68 I C 0.878 176.989 176.117 -0.010 0.000 1.141 68 I CA 0.402 61.730 61.300 0.048 0.000 1.364 68 I CB -0.600 37.467 38.000 0.112 0.000 1.447 68 I HN 0.534 nan 8.210 nan 0.000 0.571 69 T N 3.426 117.942 114.554 -0.064 0.000 2.940 69 T HA 0.542 4.892 4.350 0.000 0.000 0.288 69 T C 0.796 175.377 174.700 -0.198 0.000 1.045 69 T CA -0.626 61.411 62.100 -0.104 0.000 1.018 69 T CB 2.232 71.039 68.868 -0.101 0.000 1.151 69 T HN 0.522 nan 8.240 nan 0.000 0.529 70 A N 0.207 122.894 122.820 -0.222 0.000 2.252 70 A HA 0.353 4.673 4.320 0.000 0.000 0.213 70 A C 0.991 178.327 177.584 -0.413 0.000 1.188 70 A CA 0.052 51.860 52.037 -0.382 0.000 0.863 70 A CB 0.064 18.931 19.000 -0.221 0.000 0.893 70 A HN 0.702 nan 8.150 nan 0.000 0.495 71 T N 2.514 116.920 114.554 -0.247 0.000 3.427 71 T HA 0.393 4.743 4.350 0.000 0.000 0.306 71 T C -2.821 171.785 174.700 -0.156 0.000 1.733 71 T CA -1.007 60.981 62.100 -0.186 0.000 1.599 71 T CB 0.717 69.517 68.868 -0.114 0.000 0.964 71 T HN 0.099 nan 8.240 nan 0.000 0.701 72 P HA 0.182 nan 4.420 nan 0.000 0.269 72 P C 0.122 177.359 177.300 -0.106 0.000 1.217 72 P CA -0.583 62.431 63.100 -0.142 0.000 0.783 72 P CB 0.339 31.939 31.700 -0.167 0.000 0.898 73 C N -0.130 119.119 119.300 -0.084 0.000 2.350 73 C HA 0.673 5.133 4.460 0.000 0.000 0.348 73 C C 1.736 176.685 174.990 -0.069 0.000 1.260 73 C CA -0.081 58.897 59.018 -0.067 0.000 1.966 73 C CB 0.394 28.104 27.740 -0.050 0.000 2.380 73 C HN 0.749 nan 8.230 nan 0.000 0.535 74 G N 1.611 110.372 108.800 -0.065 0.000 2.776 74 G HA2 0.127 4.087 3.960 0.000 0.000 0.209 74 G HA3 0.127 4.087 3.960 0.000 0.000 0.209 74 G C 0.906 175.773 174.900 -0.054 0.000 1.145 74 G CA 1.101 46.162 45.100 -0.065 0.000 0.791 74 G HN 1.329 nan 8.290 nan 0.000 0.530 75 V N -1.376 118.511 119.914 -0.045 0.000 2.922 75 V HA 0.129 4.249 4.120 0.000 0.000 0.242 75 V C 1.929 178.007 176.094 -0.027 0.000 1.094 75 V CA -0.260 62.020 62.300 -0.034 0.000 1.106 75 V CB -1.179 30.628 31.823 -0.027 0.000 0.799 75 V HN 0.401 nan 8.190 nan 0.000 0.474 76 C N 2.507 121.790 119.300 -0.027 0.000 2.550 76 C HA -0.004 4.456 4.460 0.000 0.000 0.406 76 C C 1.777 176.762 174.990 -0.010 0.000 1.366 76 C CA 0.533 59.542 59.018 -0.015 0.000 1.712 76 C CB -0.645 27.085 27.740 -0.016 0.000 2.613 76 C HN 0.653 nan 8.230 nan 0.000 0.608 77 D N 2.573 122.983 120.400 0.017 0.000 2.203 77 D HA -0.152 4.488 4.640 0.000 0.000 0.199 77 D C 1.616 177.951 176.300 0.059 0.000 0.997 77 D CA 1.799 55.824 54.000 0.041 0.000 0.863 77 D CB -0.062 40.776 40.800 0.064 0.000 0.928 77 D HN 0.731 nan 8.370 nan 0.000 0.458 78 N N 0.112 118.838 118.700 0.042 0.000 2.171 78 N HA -0.084 4.656 4.740 0.000 0.000 0.184 78 N C 2.009 177.347 175.510 -0.286 0.000 1.021 78 N CA 0.410 53.421 53.050 -0.065 0.000 0.854 78 N CB -0.709 37.757 38.487 -0.036 0.000 0.994 78 N HN 0.209 nan 8.380 nan 0.000 0.426 79 C N 1.056 120.253 119.300 -0.173 0.000 2.429 79 C HA 0.018 4.478 4.460 0.000 0.000 0.277 79 C C 2.721 177.624 174.990 -0.145 0.000 1.262 79 C CA 0.357 59.269 59.018 -0.177 0.000 1.733 79 C CB -0.755 26.913 27.740 -0.120 0.000 2.010 79 C HN 0.455 nan 8.230 nan 0.000 0.483 80 R N 0.746 121.192 120.500 -0.090 0.000 2.070 80 R HA -0.127 4.213 4.340 0.000 0.000 0.233 80 R C 2.108 178.378 176.300 -0.050 0.000 1.137 80 R CA 1.571 57.636 56.100 -0.057 0.000 0.945 80 R CB -0.360 29.924 30.300 -0.026 0.000 0.845 80 R HN 0.665 nan 8.270 nan 0.000 0.430 81 E N 0.398 120.581 120.200 -0.028 0.000 2.150 81 E HA -0.161 4.189 4.350 0.000 0.000 0.193 81 E C 1.983 178.562 176.600 -0.035 0.000 0.985 81 E CA 0.911 57.330 56.400 0.032 0.000 0.814 81 E CB -0.090 29.730 29.700 0.199 0.000 0.752 81 E HN 0.386 nan 8.360 nan 0.000 0.466 82 I N 0.980 121.422 120.570 -0.214 0.000 2.315 82 I HA -0.186 3.984 4.170 0.000 0.000 0.248 82 I C 1.849 177.897 176.117 -0.116 0.000 1.117 82 I CA 0.856 62.009 61.300 -0.245 0.000 1.404 82 I CB 0.073 37.835 38.000 -0.395 0.000 1.071 82 I HN -0.028 nan 8.210 nan 0.000 0.419 83 E N 1.226 121.366 120.200 -0.100 0.000 2.303 83 E HA -0.009 4.341 4.350 0.000 0.000 0.211 83 E C 0.228 176.806 176.600 -0.038 0.000 1.223 83 E CA 0.256 56.617 56.400 -0.065 0.000 1.344 83 E CB -0.113 29.547 29.700 -0.066 0.000 1.299 83 E HN 0.416 nan 8.360 nan 0.000 0.441 84 Q N -1.367 118.419 119.800 -0.023 0.000 1.950 84 Q HA 0.171 4.511 4.340 0.000 0.000 0.207 84 Q C 0.685 176.692 176.000 0.012 0.000 0.813 84 Q CA 0.138 55.939 55.803 -0.003 0.000 0.989 84 Q CB 1.051 29.792 28.738 0.004 0.000 1.241 84 Q HN 0.326 nan 8.270 nan 0.000 0.418 85 G N 3.164 111.971 108.800 0.010 0.000 2.309 85 G HA2 -0.355 3.605 3.960 0.000 0.000 0.286 85 G HA3 -0.355 3.605 3.960 0.000 0.000 0.286 85 G C 0.173 175.100 174.900 0.046 0.000 1.002 85 G CA 1.212 46.327 45.100 0.025 0.000 0.786 85 G HN 0.418 nan 8.290 nan 0.000 0.511 86 R N -1.911 118.631 120.500 0.070 0.000 2.607 86 R HA 0.648 4.988 4.340 0.000 0.000 0.278 86 R C -1.413 174.995 176.300 0.180 0.000 1.637 86 R CA -1.065 55.088 56.100 0.088 0.000 1.325 86 R CB 0.661 30.994 30.300 0.056 0.000 1.211 86 R HN 0.212 nan 8.270 nan 0.000 0.565 87 F N 2.365 122.300 119.950 -0.026 0.000 2.547 87 F HA 0.285 4.812 4.527 0.000 0.000 0.316 87 F C 0.916 176.695 175.800 -0.036 0.000 1.121 87 F CA -1.316 56.668 58.000 -0.027 0.000 0.911 87 F CB 2.173 41.157 39.000 -0.026 0.000 1.179 87 F HN 0.098 nan 8.300 nan 0.000 0.443 88 V N 3.126 122.746 119.914 -0.490 0.000 2.527 88 V HA -0.264 3.856 4.120 0.000 0.000 0.255 88 V C 0.862 176.730 176.094 -0.377 0.000 1.081 88 V CA 2.373 64.427 62.300 -0.409 0.000 1.092 88 V CB -0.458 31.115 31.823 -0.416 0.000 0.673 88 V HN 0.687 nan 8.190 nan 0.000 0.470 89 D N -1.081 119.013 120.400 -0.511 0.000 2.431 89 D HA 0.207 4.847 4.640 0.000 0.000 0.213 89 D C 0.211 176.493 176.300 -0.031 0.000 1.130 89 D CA -0.102 53.772 54.000 -0.211 0.000 0.834 89 D CB 0.884 41.603 40.800 -0.136 0.000 0.985 89 D HN 0.302 nan 8.370 nan 0.000 0.504 90 L N 1.974 123.242 121.223 0.074 0.000 2.321 90 L HA 0.382 4.722 4.340 0.000 0.000 0.272 90 L C -0.716 176.126 176.870 -0.047 0.000 1.050 90 L CA -0.442 54.451 54.840 0.089 0.000 0.893 90 L CB 0.209 42.412 42.059 0.240 0.000 1.272 90 L HN -0.154 nan 8.230 nan 0.000 0.435 91 I N 3.897 124.338 120.570 -0.214 0.000 2.325 91 I HA 0.234 4.404 4.170 0.000 0.000 0.291 91 I C 0.078 176.149 176.117 -0.078 0.000 1.019 91 I CA -0.274 60.897 61.300 -0.214 0.000 1.302 91 I CB 0.894 38.612 38.000 -0.470 0.000 1.401 91 I HN 0.519 nan 8.210 nan 0.000 0.485 92 E N 7.396 127.594 120.200 -0.003 0.000 2.073 92 E HA 0.482 4.832 4.350 0.000 0.000 0.269 92 E C -0.792 175.849 176.600 0.068 0.000 0.917 92 E CA -0.350 56.078 56.400 0.047 0.000 0.757 92 E CB 1.619 31.344 29.700 0.041 0.000 1.111 92 E HN 0.473 nan 8.360 nan 0.000 0.410 93 I N 2.190 122.825 120.570 0.108 0.000 2.412 93 I HA 0.187 4.358 4.170 0.000 0.000 0.296 93 I C -0.272 175.905 176.117 0.099 0.000 0.987 93 I CA -0.710 60.658 61.300 0.113 0.000 1.180 93 I CB 1.444 39.540 38.000 0.160 0.000 1.340 93 I HN 0.381 nan 8.210 nan 0.000 0.455 94 D N 5.132 125.578 120.400 0.077 0.000 2.472 94 D HA 0.389 5.029 4.640 0.000 0.000 0.234 94 D C 0.764 177.096 176.300 0.054 0.000 1.088 94 D CA -0.400 53.638 54.000 0.063 0.000 0.882 94 D CB 1.727 42.555 40.800 0.047 0.000 1.037 94 D HN 0.618 nan 8.370 nan 0.000 0.520 95 A N 3.325 126.180 122.820 0.057 0.000 2.024 95 A HA -0.061 4.259 4.320 0.000 0.000 0.220 95 A C 1.948 179.532 177.584 0.000 0.000 1.164 95 A CA 1.670 53.727 52.037 0.035 0.000 0.643 95 A CB -0.276 18.742 19.000 0.030 0.000 0.806 95 A HN 0.578 nan 8.150 nan 0.000 0.451 96 A N -0.853 121.966 122.820 -0.002 0.000 2.235 96 A HA 0.294 4.614 4.320 0.000 0.000 0.208 96 A C 1.326 178.909 177.584 -0.001 0.000 1.172 96 A CA 0.723 52.750 52.037 -0.017 0.000 0.786 96 A CB -0.449 18.547 19.000 -0.007 0.000 0.804 96 A HN 0.366 nan 8.150 nan 0.000 0.479 97 S N -0.235 115.473 115.700 0.012 0.000 2.499 97 S HA 0.298 4.768 4.470 0.000 0.000 0.275 97 S C 1.358 175.965 174.600 0.013 0.000 1.257 97 S CA -0.666 57.544 58.200 0.016 0.000 1.050 97 S CB 0.364 63.579 63.200 0.026 0.000 0.937 97 S HN 0.456 nan 8.310 nan 0.000 0.490 98 R N 2.892 123.397 120.500 0.009 0.000 2.057 98 R HA 0.005 4.345 4.340 0.000 0.000 0.224 98 R C 2.139 178.445 176.300 0.010 0.000 1.136 98 R CA 1.532 57.636 56.100 0.007 0.000 0.968 98 R CB -1.337 28.964 30.300 0.003 0.000 0.863 98 R HN 0.651 nan 8.270 nan 0.000 0.433 99 T N 1.709 116.270 114.554 0.011 0.000 2.881 99 T HA -0.091 4.260 4.350 0.000 0.000 0.270 99 T C 1.221 175.931 174.700 0.017 0.000 1.068 99 T CA 1.344 63.451 62.100 0.013 0.000 1.131 99 T CB 0.010 68.885 68.868 0.012 0.000 0.871 99 T HN 0.283 nan 8.240 nan 0.000 0.479 100 K N 1.425 121.838 120.400 0.022 0.000 2.387 100 K HA 0.197 4.517 4.320 0.000 0.000 0.198 100 K C 1.979 178.601 176.600 0.037 0.000 1.022 100 K CA -0.011 56.294 56.287 0.030 0.000 1.128 100 K CB 0.115 32.636 32.500 0.035 0.000 0.853 100 K HN 0.271 nan 8.250 nan 0.000 0.523 101 V N 0.251 120.183 119.914 0.030 0.000 2.380 101 V HA -0.297 3.823 4.120 0.000 0.000 0.251 101 V C 1.914 178.031 176.094 0.040 0.000 1.063 101 V CA 1.713 64.034 62.300 0.034 0.000 1.055 101 V CB -0.492 31.344 31.823 0.021 0.000 0.657 101 V HN 0.317 nan 8.190 nan 0.000 0.455 102 E N -0.093 120.124 120.200 0.029 0.000 2.285 102 E HA -0.134 4.216 4.350 0.000 0.000 0.194 102 E C 1.606 178.234 176.600 0.048 0.000 0.997 102 E CA 1.027 57.444 56.400 0.028 0.000 0.845 102 E CB -0.485 29.224 29.700 0.014 0.000 0.782 102 E HN 0.609 nan 8.360 nan 0.000 0.491 103 D N 0.808 121.238 120.400 0.051 0.000 2.323 103 D HA 0.010 4.650 4.640 0.000 0.000 0.209 103 D C 1.242 177.593 176.300 0.085 0.000 0.973 103 D CA 0.667 54.703 54.000 0.061 0.000 0.874 103 D CB 0.389 41.220 40.800 0.051 0.000 0.930 103 D HN 0.107 nan 8.370 nan 0.000 0.521 104 T N 0.599 115.205 114.554 0.087 0.000 2.809 104 T HA -0.090 4.260 4.350 0.000 0.000 0.260 104 T C 1.999 176.778 174.700 0.132 0.000 1.039 104 T CA 0.701 62.865 62.100 0.107 0.000 1.141 104 T CB 0.216 69.140 68.868 0.094 0.000 0.869 104 T HN 0.317 nan 8.240 nan 0.000 0.437 105 R N 1.689 122.274 120.500 0.142 0.000 2.062 105 R HA -0.037 4.303 4.340 0.000 0.000 0.229 105 R C 2.131 178.555 176.300 0.206 0.000 1.128 105 R CA 1.709 57.944 56.100 0.226 0.000 0.960 105 R CB -0.767 29.648 30.300 0.192 0.000 0.855 105 R HN 0.276 nan 8.270 nan 0.000 0.432 106 D N 1.167 121.650 120.400 0.139 0.000 2.218 106 D HA -0.108 4.532 4.640 0.000 0.000 0.204 106 D C 1.933 178.305 176.300 0.120 0.000 0.976 106 D CA 0.894 54.965 54.000 0.118 0.000 0.853 106 D CB 0.157 41.007 40.800 0.083 0.000 0.939 106 D HN 0.376 nan 8.370 nan 0.000 0.481 107 L N 0.079 121.383 121.223 0.134 0.000 2.270 107 L HA 0.022 4.362 4.340 0.000 0.000 0.210 107 L C 2.521 179.497 176.870 0.177 0.000 1.104 107 L CA 0.162 55.105 54.840 0.171 0.000 0.804 107 L CB -0.028 42.151 42.059 0.200 0.000 0.937 107 L HN 0.037 nan 8.230 nan 0.000 0.450 108 L N -0.704 120.594 121.223 0.124 0.000 2.446 108 L HA -0.041 4.299 4.340 0.000 0.000 0.219 108 L C 1.496 178.372 176.870 0.010 0.000 1.116 108 L CA 0.539 55.406 54.840 0.045 0.000 0.844 108 L CB -0.106 41.961 42.059 0.013 0.000 0.970 108 L HN 0.259 nan 8.230 nan 0.000 0.457 109 D N -0.560 119.870 120.400 0.050 0.000 2.366 109 D HA 0.012 4.652 4.640 0.000 0.000 0.205 109 D C 0.524 176.868 176.300 0.074 0.000 1.022 109 D CA 0.468 54.497 54.000 0.047 0.000 0.868 109 D CB 0.306 41.156 40.800 0.083 0.000 0.953 109 D HN 0.213 nan 8.370 nan 0.000 0.514 110 N N 1.323 120.074 118.700 0.084 0.000 2.908 110 N HA 0.112 4.852 4.740 0.000 0.000 0.316 110 N C -0.573 174.985 175.510 0.081 0.000 1.619 110 N CA -0.030 53.076 53.050 0.094 0.000 1.045 110 N CB 1.794 40.338 38.487 0.095 0.000 1.357 110 N HN -0.113 nan 8.380 nan 0.000 0.501 111 V N 1.673 121.598 119.914 0.018 0.000 2.521 111 V HA 0.021 4.141 4.120 0.000 0.000 0.286 111 V C 0.611 176.592 176.094 -0.188 0.000 1.034 111 V CA -0.219 62.001 62.300 -0.133 0.000 1.045 111 V CB 0.716 32.325 31.823 -0.357 0.000 0.974 111 V HN 0.297 nan 8.190 nan 0.000 0.480 112 Q N 4.281 124.029 119.800 -0.087 0.000 2.314 112 Q HA 0.315 4.655 4.340 0.000 0.000 0.257 112 Q C -1.009 174.902 176.000 -0.150 0.000 0.975 112 Q CA -0.211 55.572 55.803 -0.034 0.000 0.933 112 Q CB 0.616 29.364 28.738 0.017 0.000 1.195 112 Q HN 0.728 nan 8.270 nan 0.000 0.426 113 Y N 1.433 121.732 120.300 -0.000 0.000 2.955 113 Y HA 0.448 4.998 4.550 0.000 0.000 0.386 113 Y C 0.181 175.746 175.900 -0.558 0.000 1.069 113 Y CA -0.559 57.495 58.100 -0.078 0.000 1.764 113 Y CB 0.363 38.911 38.460 0.148 0.000 1.646 113 Y HN 0.596 nan 8.280 nan 0.000 0.486 114 A N 0.339 122.927 122.820 -0.387 0.000 2.522 114 A HA 0.501 4.821 4.320 0.000 0.000 0.290 114 A C -3.045 174.417 177.584 -0.203 0.000 1.047 114 A CA -1.443 50.388 52.037 -0.345 0.000 0.935 114 A CB 0.550 19.458 19.000 -0.154 0.000 1.451 114 A HN 0.050 nan 8.150 nan 0.000 0.398 115 P HA 0.335 nan 4.420 nan 0.000 0.264 115 P C 1.006 178.255 177.300 -0.086 0.000 1.193 115 P CA 0.539 63.589 63.100 -0.083 0.000 0.763 115 P CB 1.316 33.004 31.700 -0.020 0.000 0.810 116 A N 4.295 127.051 122.820 -0.106 0.000 2.021 116 A HA -0.017 4.303 4.320 0.000 0.000 0.216 116 A C 1.520 179.034 177.584 -0.116 0.000 1.163 116 A CA 1.101 53.072 52.037 -0.111 0.000 0.676 116 A CB -0.110 18.810 19.000 -0.132 0.000 0.818 116 A HN 0.553 nan 8.150 nan 0.000 0.453 117 R N -2.385 118.030 120.500 -0.143 0.000 2.580 117 R HA 0.184 4.524 4.340 0.000 0.000 0.285 117 R C 0.638 176.941 176.300 0.005 0.000 0.947 117 R CA 0.393 56.429 56.100 -0.106 0.000 1.102 117 R CB 0.875 31.048 30.300 -0.211 0.000 1.696 117 R HN 0.362 nan 8.270 nan 0.000 0.506 118 G N -0.071 108.752 108.800 0.038 0.000 2.568 118 G HA2 0.286 4.246 3.960 0.000 0.000 0.313 118 G HA3 0.286 4.246 3.960 0.000 0.000 0.313 118 G C 0.346 175.351 174.900 0.175 0.000 1.227 118 G CA -0.581 44.642 45.100 0.206 0.000 0.979 118 G HN -0.159 nan 8.290 nan 0.000 0.486 119 R N -0.274 120.377 120.500 0.251 0.000 2.082 119 R HA -0.036 4.304 4.340 0.000 0.000 0.234 119 R C 0.445 176.810 176.300 0.108 0.000 1.136 119 R CA 1.186 57.389 56.100 0.171 0.000 0.935 119 R CB -0.919 29.597 30.300 0.359 0.000 0.842 119 R HN 0.490 nan 8.270 nan 0.000 0.430 120 F N -0.078 119.939 119.950 0.112 0.000 2.585 120 F HA 0.466 4.993 4.527 0.000 0.000 0.350 120 F C 0.581 176.445 175.800 0.107 0.000 1.074 120 F CA -1.304 56.770 58.000 0.124 0.000 1.032 120 F CB 1.088 40.159 39.000 0.117 0.000 1.330 120 F HN -0.320 nan 8.300 nan 0.000 0.495 121 K N 1.348 121.941 120.400 0.323 0.000 2.367 121 K HA 0.520 4.840 4.320 0.000 0.000 0.263 121 K C -1.606 175.097 176.600 0.173 0.000 1.000 121 K CA -0.430 55.965 56.287 0.180 0.000 0.891 121 K CB 1.425 34.013 32.500 0.147 0.000 1.117 121 K HN 0.429 nan 8.250 nan 0.000 0.443 122 V N 5.209 125.189 119.914 0.110 0.000 2.432 122 V HA 0.222 4.342 4.120 0.000 0.000 0.275 122 V C -0.825 175.274 176.094 0.009 0.000 1.043 122 V CA -0.539 61.819 62.300 0.097 0.000 0.925 122 V CB 0.463 32.345 31.823 0.098 0.000 0.985 122 V HN 0.598 nan 8.190 nan 0.000 0.466 123 Y N 4.838 125.171 120.300 0.055 0.000 2.402 123 Y HA 0.534 5.084 4.550 0.000 0.000 0.332 123 Y C -0.190 175.852 175.900 0.236 0.000 0.960 123 Y CA -0.708 57.490 58.100 0.164 0.000 1.228 123 Y CB 1.681 40.308 38.460 0.278 0.000 1.120 123 Y HN 0.526 nan 8.280 nan 0.000 0.491 124 L N 6.271 127.646 121.223 0.253 0.000 2.255 124 L HA 0.569 4.910 4.340 0.000 0.000 0.289 124 L C -0.984 176.016 176.870 0.218 0.000 1.046 124 L CA -0.390 54.582 54.840 0.221 0.000 0.816 124 L CB 0.040 42.180 42.059 0.135 0.000 1.197 124 L HN 0.453 nan 8.230 nan 0.000 0.427 125 I N 4.526 125.235 120.570 0.231 0.000 2.382 125 I HA 0.261 4.431 4.170 0.000 0.000 0.285 125 I C -0.470 175.742 176.117 0.158 0.000 1.007 125 I CA -0.682 60.731 61.300 0.188 0.000 1.142 125 I CB 1.540 39.651 38.000 0.185 0.000 1.289 125 I HN 0.479 nan 8.210 nan 0.000 0.453 126 D N 8.160 128.638 120.400 0.130 0.000 2.344 126 D HA 0.056 4.696 4.640 0.000 0.000 0.253 126 D C -0.124 176.253 176.300 0.128 0.000 1.255 126 D CA 0.397 54.467 54.000 0.116 0.000 0.894 126 D CB 0.511 41.363 40.800 0.086 0.000 1.067 126 D HN 0.582 nan 8.370 nan 0.000 0.492 127 E N 1.709 122.010 120.200 0.169 0.000 4.156 127 E HA -0.172 4.178 4.350 0.000 0.000 0.158 127 E C 1.100 177.831 176.600 0.219 0.000 1.861 127 E CA 0.305 56.869 56.400 0.274 0.000 0.926 127 E CB -0.672 29.203 29.700 0.291 0.000 1.062 127 E HN 0.431 nan 8.360 nan 0.000 0.347 128 V N 0.407 120.477 119.914 0.261 0.000 3.052 128 V HA -0.140 3.980 4.120 0.000 0.000 0.254 128 V C 2.089 178.291 176.094 0.181 0.000 1.100 128 V CA 1.505 63.917 62.300 0.186 0.000 1.112 128 V CB -0.309 31.611 31.823 0.163 0.000 0.738 128 V HN 0.793 nan 8.190 nan 0.000 0.469 129 H N -0.139 118.950 119.070 0.032 0.000 2.560 129 H HA 0.035 4.591 4.556 0.000 0.000 0.283 129 H C 1.573 176.863 175.328 -0.064 0.000 1.028 129 H CA 1.486 57.514 56.048 -0.033 0.000 1.221 129 H CB -0.330 29.414 29.762 -0.030 0.000 1.363 129 H HN 0.518 nan 8.280 nan 0.000 0.594 130 M N 0.568 119.888 119.600 -0.468 0.000 2.383 130 M HA 0.265 4.745 4.480 0.000 0.000 0.247 130 M C -0.108 176.101 176.300 -0.151 0.000 1.117 130 M CA -0.067 55.001 55.300 -0.386 0.000 0.995 130 M CB 0.235 32.590 32.600 -0.407 0.000 1.480 130 M HN 0.047 nan 8.290 nan 0.000 0.485 131 L N 0.027 121.211 121.223 -0.066 0.000 2.472 131 L HA 0.252 4.592 4.340 0.000 0.000 0.260 131 L C 0.750 177.630 176.870 0.017 0.000 1.209 131 L CA -0.617 54.241 54.840 0.030 0.000 0.817 131 L CB 0.779 42.930 42.059 0.153 0.000 1.106 131 L HN 0.259 nan 8.230 nan 0.000 0.479 132 S N 0.742 116.489 115.700 0.079 0.000 2.576 132 S HA 0.170 4.640 4.470 0.000 0.000 0.276 132 S C 1.023 175.706 174.600 0.138 0.000 1.339 132 S CA -0.883 57.371 58.200 0.090 0.000 1.039 132 S CB 1.152 64.430 63.200 0.130 0.000 0.902 132 S HN 0.510 nan 8.310 nan 0.000 0.516 133 R N 1.582 122.141 120.500 0.098 0.000 2.170 133 R HA -0.150 4.191 4.340 0.000 0.000 0.242 133 R C 1.993 178.414 176.300 0.201 0.000 1.145 133 R CA 1.951 58.126 56.100 0.126 0.000 0.984 133 R CB -1.869 28.475 30.300 0.074 0.000 0.869 133 R HN 0.964 nan 8.270 nan 0.000 0.455 134 H N 1.562 120.687 119.070 0.093 0.000 2.265 134 H HA -0.015 4.541 4.556 0.000 0.000 0.305 134 H C 1.597 176.975 175.328 0.083 0.000 1.054 134 H CA 2.162 58.256 56.048 0.077 0.000 1.296 134 H CB -0.106 29.686 29.762 0.050 0.000 1.395 134 H HN 0.213 nan 8.280 nan 0.000 0.502 135 S N 0.434 116.052 115.700 -0.136 0.000 2.469 135 S HA -0.156 4.315 4.470 0.000 0.000 0.238 135 S C 2.138 176.698 174.600 -0.067 0.000 0.998 135 S CA 1.008 59.097 58.200 -0.186 0.000 0.957 135 S CB -1.097 62.166 63.200 0.105 0.000 0.764 135 S HN 0.485 nan 8.310 nan 0.000 0.514 136 F N 3.500 123.397 119.950 -0.089 0.000 2.171 136 F HA -0.026 4.501 4.527 0.000 0.000 0.300 136 F C 1.974 177.714 175.800 -0.100 0.000 1.090 136 F CA 1.377 59.332 58.000 -0.075 0.000 1.293 136 F CB -0.563 38.413 39.000 -0.040 0.000 1.013 136 F HN 0.158 nan 8.300 nan 0.000 0.486 137 N N 0.570 119.148 118.700 -0.204 0.000 2.331 137 N HA -0.061 4.679 4.740 0.000 0.000 0.180 137 N C 2.038 177.386 175.510 -0.271 0.000 1.019 137 N CA 0.984 53.870 53.050 -0.272 0.000 0.881 137 N CB -0.368 38.057 38.487 -0.102 0.000 0.972 137 N HN 0.411 nan 8.380 nan 0.000 0.435 138 A N 1.345 124.009 122.820 -0.260 0.000 1.940 138 A HA -0.144 4.177 4.320 0.000 0.000 0.219 138 A C 2.229 179.687 177.584 -0.210 0.000 1.176 138 A CA 1.016 52.926 52.037 -0.211 0.000 0.631 138 A CB -0.586 18.291 19.000 -0.205 0.000 0.814 138 A HN 0.231 nan 8.150 nan 0.000 0.446 139 L N -0.792 120.252 121.223 -0.298 0.000 1.973 139 L HA -0.076 4.264 4.340 0.000 0.000 0.208 139 L C 2.175 178.844 176.870 -0.335 0.000 1.073 139 L CA 1.524 56.142 54.840 -0.369 0.000 0.746 139 L CB -0.583 41.197 42.059 -0.466 0.000 0.891 139 L HN 0.290 nan 8.230 nan 0.000 0.433 140 L N 0.210 121.179 121.223 -0.423 0.000 2.077 140 L HA -0.386 3.954 4.340 0.000 0.000 0.231 140 L C 2.619 179.381 176.870 -0.180 0.000 1.100 140 L CA 2.499 57.143 54.840 -0.328 0.000 0.819 140 L CB -1.163 40.684 42.059 -0.353 0.000 0.913 140 L HN 0.461 nan 8.230 nan 0.000 0.446 141 K N -1.538 118.773 120.400 -0.148 0.000 2.002 141 K HA -0.135 4.185 4.320 0.000 0.000 0.209 141 K C 1.772 178.348 176.600 -0.039 0.000 1.048 141 K CA 1.900 58.140 56.287 -0.078 0.000 0.930 141 K CB -0.418 32.045 32.500 -0.062 0.000 0.714 141 K HN 0.371 nan 8.250 nan 0.000 0.438 142 T N 1.854 116.388 114.554 -0.034 0.000 2.881 142 T HA -0.081 4.269 4.350 0.000 0.000 0.270 142 T C 1.760 176.511 174.700 0.084 0.000 1.068 142 T CA 0.926 63.056 62.100 0.048 0.000 1.131 142 T CB -0.078 68.826 68.868 0.061 0.000 0.871 142 T HN 0.110 nan 8.240 nan 0.000 0.479 143 L N 0.267 121.496 121.223 0.009 0.000 2.209 143 L HA 0.044 4.384 4.340 0.000 0.000 0.207 143 L C 2.766 179.659 176.870 0.038 0.000 1.094 143 L CA 0.845 55.733 54.840 0.080 0.000 0.790 143 L CB -0.252 41.793 42.059 -0.023 0.000 0.932 143 L HN 0.155 nan 8.230 nan 0.000 0.447 144 E N 0.930 121.117 120.200 -0.021 0.000 2.051 144 E HA -0.168 4.182 4.350 0.000 0.000 0.192 144 E C 0.791 177.347 176.600 -0.073 0.000 0.991 144 E CA 1.199 57.570 56.400 -0.048 0.000 0.799 144 E CB 0.248 29.922 29.700 -0.045 0.000 0.748 144 E HN 0.191 nan 8.360 nan 0.000 0.449 145 E N 0.752 120.929 120.200 -0.038 0.000 2.437 145 E HA 0.226 4.576 4.350 0.000 0.000 0.238 145 E C -2.518 174.091 176.600 0.015 0.000 0.969 145 E CA -2.087 54.291 56.400 -0.037 0.000 0.759 145 E CB 1.415 31.101 29.700 -0.023 0.000 1.283 145 E HN 0.173 nan 8.360 nan 0.000 0.416 146 P HA 0.363 nan 4.420 nan 0.000 0.292 146 P C -2.467 174.853 177.300 0.033 0.000 1.283 146 P CA -1.467 61.679 63.100 0.077 0.000 0.835 146 P CB 1.386 33.161 31.700 0.125 0.000 1.017 147 P HA 0.115 nan 4.420 nan 0.000 0.272 147 P C 0.545 177.690 177.300 -0.259 0.000 1.254 147 P CA 0.048 63.094 63.100 -0.089 0.000 0.795 147 P CB 1.107 32.834 31.700 0.045 0.000 1.022 148 E N -0.414 119.519 120.200 -0.446 0.000 2.122 148 E HA -0.169 4.181 4.350 0.000 0.000 0.190 148 E C 1.813 178.266 176.600 -0.244 0.000 0.977 148 E CA 1.137 57.374 56.400 -0.272 0.000 0.820 148 E CB -0.656 28.923 29.700 -0.202 0.000 0.770 148 E HN 0.639 nan 8.360 nan 0.000 0.462 149 H N -0.399 118.671 119.070 -0.001 0.000 2.436 149 H HA 0.125 4.681 4.556 0.000 0.000 0.294 149 H C 0.527 175.923 175.328 0.114 0.000 1.048 149 H CA 0.104 56.131 56.048 -0.036 0.000 1.353 149 H CB -0.545 29.191 29.762 -0.043 0.000 1.414 149 H HN -0.119 nan 8.280 nan 0.000 0.536 150 V N 2.959 122.992 119.914 0.198 0.000 2.427 150 V HA 0.184 4.304 4.120 0.000 0.000 0.268 150 V C 0.025 176.086 176.094 -0.056 0.000 1.046 150 V CA -0.490 61.857 62.300 0.078 0.000 0.970 150 V CB 0.803 32.568 31.823 -0.096 0.000 1.001 150 V HN 0.297 nan 8.190 nan 0.000 0.476 151 K N 4.081 124.458 120.400 -0.039 0.000 2.267 151 K HA 0.654 4.974 4.320 0.000 0.000 0.246 151 K C -1.127 175.360 176.600 -0.188 0.000 0.954 151 K CA -0.560 55.716 56.287 -0.019 0.000 0.824 151 K CB 2.387 34.981 32.500 0.157 0.000 1.167 151 K HN 0.360 nan 8.250 nan 0.000 0.431 152 F N 0.977 121.046 119.950 0.198 0.000 2.522 152 F HA 0.508 5.036 4.527 0.000 0.000 0.324 152 F C -0.012 175.919 175.800 0.218 0.000 1.077 152 F CA -0.897 57.211 58.000 0.180 0.000 0.944 152 F CB 1.298 40.340 39.000 0.070 0.000 1.175 152 F HN 0.059 nan 8.300 nan 0.000 0.468 153 L N 4.867 126.364 121.223 0.456 0.000 2.427 153 L HA 0.474 4.814 4.340 0.000 0.000 0.264 153 L C -1.173 175.886 176.870 0.314 0.000 0.989 153 L CA -0.335 54.728 54.840 0.370 0.000 0.865 153 L CB 1.226 43.492 42.059 0.345 0.000 1.209 153 L HN 0.429 nan 8.230 nan 0.000 0.430 154 L N 2.695 124.055 121.223 0.227 0.000 2.334 154 L HA 0.900 5.240 4.340 0.000 0.000 0.275 154 L C 0.169 177.168 176.870 0.215 0.000 1.036 154 L CA -0.552 54.392 54.840 0.173 0.000 0.807 154 L CB 1.923 44.026 42.059 0.073 0.000 1.231 154 L HN 0.647 nan 8.230 nan 0.000 0.438 155 A N 1.499 124.433 122.820 0.191 0.000 2.398 155 A HA 0.844 5.164 4.320 0.000 0.000 0.301 155 A C -0.674 176.975 177.584 0.109 0.000 1.041 155 A CA -0.412 51.735 52.037 0.185 0.000 0.711 155 A CB 1.717 20.822 19.000 0.175 0.000 1.240 155 A HN 0.641 nan 8.150 nan 0.000 0.420 156 T N 0.943 115.519 114.554 0.036 0.000 2.909 156 T HA 0.451 4.801 4.350 0.000 0.000 0.299 156 T C 0.595 175.220 174.700 -0.125 0.000 1.073 156 T CA -0.287 61.770 62.100 -0.071 0.000 0.999 156 T CB 1.769 70.528 68.868 -0.182 0.000 1.098 156 T HN 0.453 nan 8.240 nan 0.000 0.477 157 T N 1.160 115.615 114.554 -0.165 0.000 3.107 157 T HA 0.209 4.559 4.350 0.000 0.000 0.249 157 T C -0.146 174.455 174.700 -0.166 0.000 1.096 157 T CA 0.341 62.380 62.100 -0.102 0.000 1.012 157 T CB -0.160 68.713 68.868 0.009 0.000 0.977 157 T HN 0.691 nan 8.240 nan 0.000 0.527 158 D N -0.106 120.095 120.400 -0.332 0.000 2.251 158 D HA 0.220 4.860 4.640 0.000 0.000 0.210 158 D C -2.537 173.584 176.300 -0.298 0.000 1.304 158 D CA -0.983 52.864 54.000 -0.255 0.000 0.912 158 D CB 1.322 42.011 40.800 -0.184 0.000 1.553 158 D HN -0.204 nan 8.370 nan 0.000 0.526 159 P HA -0.033 nan 4.420 nan 0.000 0.233 159 P C 1.214 178.480 177.300 -0.057 0.000 1.167 159 P CA 0.660 63.699 63.100 -0.101 0.000 0.770 159 P CB 0.375 32.042 31.700 -0.055 0.000 0.837 160 Q N 0.397 120.167 119.800 -0.051 0.000 1.993 160 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 160 Q C 1.470 177.463 176.000 -0.013 0.000 0.984 160 Q CA 1.354 57.144 55.803 -0.021 0.000 0.837 160 Q CB -0.424 28.306 28.738 -0.013 0.000 0.902 160 Q HN 0.280 nan 8.270 nan 0.000 0.423 161 K N 0.448 120.842 120.400 -0.011 0.000 2.665 161 K HA 0.041 4.361 4.320 0.000 0.000 0.196 161 K C -0.174 176.439 176.600 0.021 0.000 1.021 161 K CA 0.213 56.510 56.287 0.017 0.000 1.066 161 K CB -0.083 32.462 32.500 0.073 0.000 0.849 161 K HN 0.179 nan 8.250 nan 0.000 0.500 162 L N 2.059 123.293 121.223 0.019 0.000 2.287 162 L HA 0.291 4.631 4.340 0.000 0.000 0.287 162 L C -2.252 174.655 176.870 0.060 0.000 1.022 162 L CA -2.386 52.488 54.840 0.055 0.000 0.814 162 L CB 1.309 43.401 42.059 0.056 0.000 1.217 162 L HN -0.169 nan 8.230 nan 0.000 0.420 163 P HA -0.110 nan 4.420 nan 0.000 0.269 163 P C 0.659 178.001 177.300 0.070 0.000 1.200 163 P CA -0.112 63.051 63.100 0.104 0.000 0.779 163 P CB 0.614 32.441 31.700 0.212 0.000 0.841 164 V N 0.442 120.382 119.914 0.043 0.000 3.573 164 V HA -0.102 4.018 4.120 0.000 0.000 0.270 164 V C 2.081 178.187 176.094 0.019 0.000 1.221 164 V CA 1.856 64.168 62.300 0.021 0.000 1.163 164 V CB -1.669 30.160 31.823 0.011 0.000 0.847 164 V HN 0.735 nan 8.190 nan 0.000 0.468 165 T N -2.374 112.201 114.554 0.035 0.000 3.023 165 T HA 0.074 4.424 4.350 0.000 0.000 0.266 165 T C 1.612 176.312 174.700 -0.001 0.000 1.093 165 T CA 1.084 63.195 62.100 0.018 0.000 1.129 165 T CB -0.077 68.808 68.868 0.028 0.000 0.899 165 T HN 0.439 nan 8.240 nan 0.000 0.491 166 I N -0.132 120.444 120.570 0.010 0.000 3.445 166 I HA 0.210 4.380 4.170 0.000 0.000 0.288 166 I C 2.251 178.348 176.117 -0.035 0.000 1.198 166 I CA 0.114 61.400 61.300 -0.023 0.000 1.417 166 I CB -0.009 37.985 38.000 -0.011 0.000 1.205 166 I HN 0.127 nan 8.210 nan 0.000 0.448 167 L N 0.952 122.164 121.223 -0.019 0.000 2.042 167 L HA -0.215 4.126 4.340 0.000 0.000 0.210 167 L C 2.756 179.589 176.870 -0.062 0.000 1.076 167 L CA 1.967 56.780 54.840 -0.045 0.000 0.749 167 L CB -0.840 41.202 42.059 -0.029 0.000 0.893 167 L HN 0.349 nan 8.230 nan 0.000 0.432 168 S N -0.297 115.380 115.700 -0.038 0.000 2.447 168 S HA -0.139 4.331 4.470 0.000 0.000 0.233 168 S C 1.795 176.379 174.600 -0.026 0.000 1.006 168 S CA 0.627 58.807 58.200 -0.034 0.000 0.957 168 S CB -0.354 62.836 63.200 -0.016 0.000 0.773 168 S HN 0.425 nan 8.310 nan 0.000 0.507 169 R N 0.085 120.573 120.500 -0.019 0.000 2.356 169 R HA 0.344 4.684 4.340 0.000 0.000 0.234 169 R C -0.534 175.703 176.300 -0.104 0.000 0.929 169 R CA -0.170 55.950 56.100 0.034 0.000 1.084 169 R CB -0.276 30.072 30.300 0.081 0.000 1.105 169 R HN 0.395 nan 8.270 nan 0.000 0.515 170 C N -0.607 118.585 119.300 -0.180 0.000 3.171 170 C HA 0.357 4.817 4.460 0.000 0.000 0.308 170 C C -0.844 173.937 174.990 -0.348 0.000 1.334 170 C CA -1.222 57.605 59.018 -0.317 0.000 1.473 170 C CB 1.515 29.097 27.740 -0.263 0.000 1.866 170 C HN 0.174 nan 8.230 nan 0.000 0.465 171 L N 2.737 123.663 121.223 -0.496 0.000 2.288 171 L HA 0.316 4.656 4.340 0.000 0.000 0.283 171 L C 0.499 176.976 176.870 -0.654 0.000 1.072 171 L CA 0.653 55.127 54.840 -0.609 0.000 0.862 171 L CB -0.078 41.496 42.059 -0.808 0.000 1.245 171 L HN 0.729 nan 8.230 nan 0.000 0.432 172 Q N 2.629 122.119 119.800 -0.516 0.000 2.432 172 Q HA 0.117 4.457 4.340 0.000 0.000 0.264 172 Q C -1.571 174.086 176.000 -0.573 0.000 1.035 172 Q CA 0.563 56.126 55.803 -0.399 0.000 0.908 172 Q CB 0.586 29.198 28.738 -0.211 0.000 1.280 172 Q HN 0.507 nan 8.270 nan 0.000 0.455 173 F N 2.282 122.208 119.950 -0.040 0.000 3.051 173 F HA 0.158 4.685 4.527 0.000 0.000 0.363 173 F C -0.436 175.481 175.800 0.195 0.000 1.257 173 F CA -0.715 57.353 58.000 0.113 0.000 1.126 173 F CB 0.979 40.120 39.000 0.235 0.000 1.476 173 F HN 0.523 nan 8.300 nan 0.000 0.576 174 H N 5.101 124.335 119.070 0.273 0.000 2.604 174 H HA 0.483 5.039 4.556 0.000 0.000 0.306 174 H C -0.852 174.568 175.328 0.152 0.000 1.075 174 H CA -0.195 55.957 56.048 0.173 0.000 1.357 174 H CB 1.014 30.832 29.762 0.093 0.000 1.426 174 H HN 0.560 nan 8.280 nan 0.000 0.470 175 L N 6.314 127.698 121.223 0.268 0.000 2.255 175 L HA 0.272 4.612 4.340 0.000 0.000 0.289 175 L C 0.644 177.659 176.870 0.241 0.000 1.046 175 L CA -0.533 54.414 54.840 0.179 0.000 0.816 175 L CB 0.765 42.841 42.059 0.027 0.000 1.197 175 L HN 0.392 nan 8.230 nan 0.000 0.427 176 K N 2.352 122.868 120.400 0.194 0.000 2.237 176 K HA 0.482 4.802 4.320 0.000 0.000 0.270 176 K C 0.330 176.973 176.600 0.071 0.000 1.015 176 K CA -0.489 55.880 56.287 0.136 0.000 0.949 176 K CB 1.313 33.851 32.500 0.063 0.000 0.976 176 K HN 0.662 nan 8.250 nan 0.000 0.472 177 A N 2.927 125.783 122.820 0.061 0.000 2.387 177 A HA 0.185 4.505 4.320 0.000 0.000 0.251 177 A C -0.088 177.502 177.584 0.011 0.000 1.113 177 A CA -0.168 51.886 52.037 0.027 0.000 0.794 177 A CB 0.096 19.110 19.000 0.025 0.000 1.069 177 A HN 0.637 nan 8.150 nan 0.000 0.506 178 L N 0.574 121.795 121.223 -0.003 0.000 2.309 178 L HA 0.273 4.613 4.340 0.000 0.000 0.282 178 L C 0.293 177.158 176.870 -0.008 0.000 1.036 178 L CA -0.648 54.186 54.840 -0.010 0.000 0.806 178 L CB 1.403 43.449 42.059 -0.022 0.000 1.220 178 L HN 0.916 nan 8.230 nan 0.000 0.429 179 D N 1.413 121.809 120.400 -0.007 0.000 2.370 179 D HA -0.053 4.588 4.640 0.000 0.000 0.235 179 D C 0.923 177.220 176.300 -0.005 0.000 1.228 179 D CA -0.008 53.990 54.000 -0.004 0.000 0.884 179 D CB 1.095 41.894 40.800 -0.002 0.000 1.201 179 D HN 0.206 nan 8.370 nan 0.000 0.456 180 V N 1.563 121.474 119.914 -0.004 0.000 2.270 180 V HA -0.180 3.940 4.120 0.000 0.000 0.245 180 V C 2.045 178.140 176.094 0.002 0.000 1.043 180 V CA 1.961 64.258 62.300 -0.005 0.000 1.014 180 V CB -0.776 31.042 31.823 -0.008 0.000 0.645 180 V HN 0.642 nan 8.190 nan 0.000 0.447 181 E N -0.663 119.544 120.200 0.011 0.000 2.463 181 E HA -0.231 4.119 4.350 0.000 0.000 0.201 181 E C 2.160 178.791 176.600 0.052 0.000 1.045 181 E CA 0.601 57.018 56.400 0.029 0.000 0.872 181 E CB 0.010 29.730 29.700 0.032 0.000 0.797 181 E HN 0.629 nan 8.360 nan 0.000 0.538 182 Q N 0.057 119.874 119.800 0.027 0.000 2.061 182 Q HA 0.017 4.357 4.340 0.000 0.000 0.195 182 Q C 2.074 178.089 176.000 0.024 0.000 0.967 182 Q CA 0.657 56.471 55.803 0.019 0.000 0.829 182 Q CB 0.233 28.962 28.738 -0.016 0.000 0.900 182 Q HN 0.257 nan 8.270 nan 0.000 0.450 183 I N 0.515 121.086 120.570 0.001 0.000 2.286 183 I HA -0.283 3.887 4.170 0.000 0.000 0.248 183 I C 2.524 178.635 176.117 -0.010 0.000 1.115 183 I CA 0.989 62.280 61.300 -0.016 0.000 1.392 183 I CB -0.259 37.724 38.000 -0.028 0.000 1.065 183 I HN 0.223 nan 8.210 nan 0.000 0.418 184 R N 0.052 120.554 120.500 0.003 0.000 2.105 184 R HA -0.254 4.086 4.340 0.000 0.000 0.239 184 R C 2.527 178.826 176.300 -0.002 0.000 1.135 184 R CA 1.615 57.709 56.100 -0.010 0.000 0.967 184 R CB -0.360 29.938 30.300 -0.004 0.000 0.861 184 R HN 0.413 nan 8.270 nan 0.000 0.442 185 H N 0.081 119.125 119.070 -0.043 0.000 2.363 185 H HA -0.074 4.482 4.556 0.000 0.000 0.301 185 H C 1.882 177.184 175.328 -0.045 0.000 1.074 185 H CA 1.766 57.794 56.048 -0.033 0.000 1.354 185 H CB 0.168 29.914 29.762 -0.028 0.000 1.397 185 H HN 0.205 nan 8.280 nan 0.000 0.516 186 Q N 0.939 120.814 119.800 0.125 0.000 1.975 186 Q HA -0.108 4.232 4.340 0.000 0.000 0.205 186 Q C 2.776 178.737 176.000 -0.064 0.000 0.990 186 Q CA 1.891 57.715 55.803 0.034 0.000 0.845 186 Q CB -0.747 27.968 28.738 -0.039 0.000 0.913 186 Q HN 0.484 nan 8.270 nan 0.000 0.420 187 L N 0.388 121.534 121.223 -0.128 0.000 2.151 187 L HA -0.284 4.056 4.340 0.000 0.000 0.215 187 L C 2.530 179.234 176.870 -0.276 0.000 1.084 187 L CA 1.978 56.684 54.840 -0.222 0.000 0.764 187 L CB -0.596 41.354 42.059 -0.181 0.000 0.891 187 L HN 0.465 nan 8.230 nan 0.000 0.435 188 E N -0.631 119.439 120.200 -0.216 0.000 2.047 188 E HA -0.262 4.089 4.350 0.000 0.000 0.191 188 E C 2.266 178.723 176.600 -0.238 0.000 0.987 188 E CA 0.880 57.106 56.400 -0.291 0.000 0.799 188 E CB -0.089 29.485 29.700 -0.210 0.000 0.752 188 E HN 0.457 nan 8.360 nan 0.000 0.449 189 H N -0.006 118.963 119.070 -0.168 0.000 2.521 189 H HA -0.029 4.527 4.556 0.000 0.000 0.286 189 H C 1.743 176.943 175.328 -0.213 0.000 1.034 189 H CA 1.093 57.079 56.048 -0.103 0.000 1.278 189 H CB 0.257 30.041 29.762 0.036 0.000 1.386 189 H HN 0.284 nan 8.280 nan 0.000 0.567 190 I N -0.260 120.088 120.570 -0.370 0.000 2.703 190 I HA -0.149 4.021 4.170 0.000 0.000 0.259 190 I C 2.093 177.910 176.117 -0.500 0.000 1.151 190 I CA 0.278 61.144 61.300 -0.724 0.000 1.470 190 I CB 0.170 37.514 38.000 -1.093 0.000 1.112 190 I HN 0.110 nan 8.210 nan 0.000 0.437 191 L N 0.241 121.217 121.223 -0.411 0.000 2.270 191 L HA -0.003 4.337 4.340 0.000 0.000 0.210 191 L C 1.960 178.698 176.870 -0.219 0.000 1.104 191 L CA 0.615 55.269 54.840 -0.310 0.000 0.804 191 L CB -0.403 41.408 42.059 -0.412 0.000 0.937 191 L HN 0.208 nan 8.230 nan 0.000 0.450 192 N N -0.032 118.511 118.700 -0.263 0.000 2.354 192 N HA -0.127 4.613 4.740 0.000 0.000 0.179 192 N C 1.406 176.741 175.510 -0.291 0.000 1.021 192 N CA 0.924 53.868 53.050 -0.177 0.000 0.887 192 N CB 0.151 38.534 38.487 -0.174 0.000 0.974 192 N HN 0.286 nan 8.380 nan 0.000 0.437 193 E N 0.036 120.046 120.200 -0.317 0.000 2.465 193 E HA 0.028 4.378 4.350 0.000 0.000 0.191 193 E C 0.073 176.576 176.600 -0.161 0.000 1.053 193 E CA 0.161 56.403 56.400 -0.263 0.000 0.869 193 E CB 0.408 30.058 29.700 -0.084 0.000 0.977 193 E HN 0.201 nan 8.360 nan 0.000 0.483 194 E N -0.209 119.898 120.200 -0.155 0.000 2.630 194 E HA 0.030 4.380 4.350 0.000 0.000 0.218 194 E C -0.622 176.003 176.600 0.042 0.000 0.977 194 E CA -0.214 56.186 56.400 -0.001 0.000 1.038 194 E CB 0.360 30.098 29.700 0.064 0.000 1.051 194 E HN 0.219 nan 8.360 nan 0.000 0.487 195 H N -0.065 119.032 119.070 0.046 0.000 2.756 195 H HA -0.178 4.378 4.556 0.000 0.000 0.315 195 H C -0.084 175.279 175.328 0.057 0.000 1.210 195 H CA 0.750 56.826 56.048 0.046 0.000 1.150 195 H CB -2.073 27.716 29.762 0.045 0.000 1.463 195 H HN 0.217 nan 8.280 nan 0.000 0.427 196 I N -0.170 120.482 120.570 0.137 0.000 2.404 196 I HA 0.484 4.654 4.170 0.000 0.000 0.293 196 I C 1.336 177.557 176.117 0.174 0.000 0.992 196 I CA -0.570 60.807 61.300 0.127 0.000 1.149 196 I CB 1.772 39.818 38.000 0.076 0.000 1.315 196 I HN 0.267 nan 8.210 nan 0.000 0.446 197 A N 6.156 129.052 122.820 0.127 0.000 2.407 197 A HA 0.279 4.599 4.320 0.000 0.000 0.257 197 A C 0.020 177.699 177.584 0.158 0.000 1.131 197 A CA 0.478 52.567 52.037 0.086 0.000 0.803 197 A CB 0.143 19.162 19.000 0.032 0.000 1.083 197 A HN 1.032 nan 8.150 nan 0.000 0.512 198 H N -1.590 117.472 119.070 -0.014 0.000 3.253 198 H HA 0.120 4.676 4.556 0.000 0.000 0.359 198 H C -1.723 173.588 175.328 -0.028 0.000 1.524 198 H CA -0.391 55.642 56.048 -0.025 0.000 1.703 198 H CB -0.720 29.019 29.762 -0.039 0.000 2.608 198 H HN 0.660 nan 8.280 nan 0.000 0.416 199 E N 5.934 126.121 120.200 -0.022 0.000 2.180 199 E HA 0.121 4.471 4.350 0.000 0.000 0.283 199 E C -1.459 175.160 176.600 0.030 0.000 1.061 199 E CA -1.817 54.559 56.400 -0.041 0.000 0.861 199 E CB 1.686 31.374 29.700 -0.021 0.000 1.056 199 E HN 0.406 nan 8.360 nan 0.000 0.407 200 P HA -0.345 nan 4.420 nan 0.000 0.216 200 P C 1.150 178.467 177.300 0.028 0.000 1.167 200 P CA 1.756 64.883 63.100 0.046 0.000 0.933 200 P CB -0.031 31.671 31.700 0.004 0.000 0.793 201 R N 0.481 120.986 120.500 0.007 0.000 2.178 201 R HA -0.179 4.161 4.340 0.000 0.000 0.257 201 R C 2.267 178.568 176.300 0.002 0.000 1.163 201 R CA 2.137 58.237 56.100 0.002 0.000 0.981 201 R CB -1.942 28.355 30.300 -0.004 0.000 0.878 201 R HN 0.162 nan 8.270 nan 0.000 0.454 202 A N 1.415 124.240 122.820 0.009 0.000 2.014 202 A HA 0.069 4.389 4.320 0.000 0.000 0.218 202 A C 2.299 179.882 177.584 -0.002 0.000 1.163 202 A CA 0.725 52.765 52.037 0.004 0.000 0.652 202 A CB -0.224 18.783 19.000 0.013 0.000 0.808 202 A HN 0.265 nan 8.150 nan 0.000 0.449 203 L N -1.304 119.924 121.223 0.008 0.000 2.044 203 L HA -0.189 4.151 4.340 0.000 0.000 0.205 203 L C 2.811 179.665 176.870 -0.028 0.000 1.075 203 L CA 1.429 56.256 54.840 -0.021 0.000 0.747 203 L CB -0.590 41.456 42.059 -0.021 0.000 0.903 203 L HN 0.421 nan 8.230 nan 0.000 0.435 204 Q N -0.076 119.714 119.800 -0.016 0.000 2.152 204 Q HA -0.233 4.107 4.340 0.000 0.000 0.206 204 Q C 2.344 178.332 176.000 -0.021 0.000 0.985 204 Q CA 1.464 57.257 55.803 -0.017 0.000 0.863 204 Q CB -0.087 28.645 28.738 -0.010 0.000 0.904 204 Q HN 0.478 nan 8.270 nan 0.000 0.422 205 L N -0.067 121.144 121.223 -0.020 0.000 1.976 205 L HA -0.243 4.097 4.340 0.000 0.000 0.209 205 L C 2.255 179.107 176.870 -0.030 0.000 1.071 205 L CA 1.118 55.943 54.840 -0.024 0.000 0.746 205 L CB -0.387 41.659 42.059 -0.023 0.000 0.890 205 L HN 0.307 nan 8.230 nan 0.000 0.432 206 L N -0.714 120.488 121.223 -0.035 0.000 2.043 206 L HA -0.289 4.051 4.340 0.000 0.000 0.212 206 L C 2.736 179.580 176.870 -0.043 0.000 1.075 206 L CA 1.183 55.997 54.840 -0.044 0.000 0.752 206 L CB -0.881 41.144 42.059 -0.056 0.000 0.891 206 L HN 0.340 nan 8.230 nan 0.000 0.432 207 A N 1.160 123.955 122.820 -0.041 0.000 1.844 207 A HA -0.293 4.027 4.320 0.000 0.000 0.214 207 A C 2.367 179.933 177.584 -0.030 0.000 1.217 207 A CA 2.326 54.342 52.037 -0.036 0.000 0.644 207 A CB -0.963 18.019 19.000 -0.030 0.000 0.850 207 A HN 0.509 nan 8.150 nan 0.000 0.456 208 R N 0.003 120.489 120.500 -0.025 0.000 2.133 208 R HA -0.166 4.174 4.340 0.000 0.000 0.247 208 R C 2.109 178.395 176.300 -0.023 0.000 1.151 208 R CA 2.138 58.225 56.100 -0.022 0.000 0.971 208 R CB -1.007 29.281 30.300 -0.021 0.000 0.866 208 R HN 0.445 nan 8.270 nan 0.000 0.447 209 A N 1.923 124.727 122.820 -0.026 0.000 1.896 209 A HA -0.064 4.256 4.320 0.000 0.000 0.220 209 A C 1.524 179.093 177.584 -0.026 0.000 1.206 209 A CA 1.756 53.777 52.037 -0.027 0.000 0.647 209 A CB -0.915 18.066 19.000 -0.032 0.000 0.828 209 A HN 0.680 nan 8.150 nan 0.000 0.455 210 A N 0.208 123.011 122.820 -0.029 0.000 2.354 210 A HA 0.474 4.794 4.320 0.000 0.000 0.281 210 A C -0.291 177.279 177.584 -0.022 0.000 1.174 210 A CA -0.311 51.710 52.037 -0.027 0.000 0.828 210 A CB -0.101 18.879 19.000 -0.034 0.000 1.099 210 A HN 0.460 nan 8.150 nan 0.000 0.516 211 E N 1.911 122.100 120.200 -0.017 0.000 1.893 211 E HA 0.409 4.759 4.350 0.000 0.000 0.269 211 E C 1.161 177.754 176.600 -0.011 0.000 1.129 211 E CA 0.889 57.282 56.400 -0.013 0.000 0.904 211 E CB 0.186 29.881 29.700 -0.008 0.000 1.077 211 E HN 1.106 nan 8.360 nan 0.000 0.407 212 G N 3.029 111.821 108.800 -0.013 0.000 2.180 212 G HA2 -0.360 3.600 3.960 0.000 0.000 0.263 212 G HA3 -0.360 3.600 3.960 0.000 0.000 0.263 212 G C 0.340 175.230 174.900 -0.016 0.000 0.989 212 G CA 0.694 45.787 45.100 -0.012 0.000 0.692 212 G HN 0.556 nan 8.290 nan 0.000 0.526 213 S N -0.179 115.508 115.700 -0.020 0.000 2.921 213 S HA 0.551 5.021 4.470 0.000 0.000 0.244 213 S C 1.313 175.895 174.600 -0.031 0.000 1.291 213 S CA 0.055 58.241 58.200 -0.024 0.000 1.010 213 S CB 1.565 64.752 63.200 -0.021 0.000 1.255 213 S HN 0.824 nan 8.310 nan 0.000 0.492 214 L N 3.295 124.497 121.223 -0.035 0.000 2.021 214 L HA -0.201 4.139 4.340 0.000 0.000 0.215 214 L C 2.652 179.500 176.870 -0.037 0.000 1.074 214 L CA 2.349 57.165 54.840 -0.040 0.000 0.760 214 L CB -0.682 41.354 42.059 -0.039 0.000 0.889 214 L HN 0.779 nan 8.230 nan 0.000 0.433 215 R N -0.548 119.934 120.500 -0.031 0.000 2.136 215 R HA -0.254 4.086 4.340 0.000 0.000 0.242 215 R C 1.915 178.198 176.300 -0.028 0.000 1.131 215 R CA 2.395 58.480 56.100 -0.024 0.000 0.937 215 R CB -1.085 29.201 30.300 -0.024 0.000 0.863 215 R HN 0.438 nan 8.270 nan 0.000 0.435 216 D N 0.522 120.905 120.400 -0.029 0.000 2.117 216 D HA -0.135 4.505 4.640 0.000 0.000 0.197 216 D C 1.972 178.248 176.300 -0.041 0.000 0.987 216 D CA 1.737 55.718 54.000 -0.031 0.000 0.829 216 D CB -0.446 40.338 40.800 -0.026 0.000 0.961 216 D HN 0.520 nan 8.370 nan 0.000 0.460 217 A N 0.517 123.309 122.820 -0.046 0.000 1.986 217 A HA -0.171 4.149 4.320 0.000 0.000 0.220 217 A C 2.359 179.896 177.584 -0.079 0.000 1.171 217 A CA 1.120 53.121 52.037 -0.060 0.000 0.640 217 A CB -0.668 18.295 19.000 -0.063 0.000 0.811 217 A HN 0.231 nan 8.150 nan 0.000 0.451 218 L N -1.788 119.389 121.223 -0.076 0.000 2.162 218 L HA -0.035 4.305 4.340 0.000 0.000 0.205 218 L C 2.809 179.636 176.870 -0.071 0.000 1.086 218 L CA 1.003 55.788 54.840 -0.092 0.000 0.778 218 L CB -0.362 41.655 42.059 -0.070 0.000 0.928 218 L HN 0.319 nan 8.230 nan 0.000 0.446 219 S N 0.081 115.751 115.700 -0.050 0.000 2.365 219 S HA -0.150 4.320 4.470 0.000 0.000 0.225 219 S C 1.907 176.478 174.600 -0.049 0.000 1.039 219 S CA 1.408 59.583 58.200 -0.042 0.000 1.033 219 S CB -0.200 62.981 63.200 -0.031 0.000 0.887 219 S HN 0.247 nan 8.310 nan 0.000 0.447 220 L N 0.333 121.526 121.223 -0.050 0.000 2.007 220 L HA -0.080 4.260 4.340 0.000 0.000 0.205 220 L C 2.591 179.425 176.870 -0.061 0.000 1.073 220 L CA 1.469 56.279 54.840 -0.050 0.000 0.744 220 L CB -1.696 40.335 42.059 -0.046 0.000 0.898 220 L HN 0.257 nan 8.230 nan 0.000 0.435 221 T N -0.502 114.006 114.554 -0.077 0.000 2.755 221 T HA -0.260 4.090 4.350 0.000 0.000 0.266 221 T C 1.408 176.053 174.700 -0.092 0.000 1.041 221 T CA 1.853 63.896 62.100 -0.094 0.000 1.147 221 T CB -0.337 68.451 68.868 -0.133 0.000 0.847 221 T HN 0.341 nan 8.240 nan 0.000 0.478 222 D N 0.209 120.556 120.400 -0.088 0.000 2.162 222 D HA -0.033 4.607 4.640 0.000 0.000 0.203 222 D C 2.226 178.483 176.300 -0.072 0.000 0.967 222 D CA 0.750 54.692 54.000 -0.096 0.000 0.840 222 D CB -0.279 40.465 40.800 -0.093 0.000 0.972 222 D HN 0.495 nan 8.370 nan 0.000 0.482 223 Q N 0.620 120.388 119.800 -0.053 0.000 2.079 223 Q HA -0.112 4.228 4.340 0.000 0.000 0.200 223 Q C 2.019 178.002 176.000 -0.028 0.000 0.974 223 Q CA 1.443 57.225 55.803 -0.035 0.000 0.840 223 Q CB 0.029 28.749 28.738 -0.030 0.000 0.898 223 Q HN 0.140 nan 8.270 nan 0.000 0.430 224 A N 1.048 123.848 122.820 -0.034 0.000 1.883 224 A HA -0.188 4.132 4.320 0.000 0.000 0.217 224 A C 1.995 179.572 177.584 -0.012 0.000 1.186 224 A CA 1.523 53.545 52.037 -0.024 0.000 0.624 224 A CB -0.789 18.192 19.000 -0.032 0.000 0.822 224 A HN 0.508 nan 8.150 nan 0.000 0.444 225 I N -0.308 120.247 120.570 -0.024 0.000 2.454 225 I HA -0.284 3.886 4.170 0.000 0.000 0.254 225 I C 2.841 178.979 176.117 0.035 0.000 1.156 225 I CA 0.942 62.241 61.300 -0.001 0.000 1.433 225 I CB -0.309 37.663 38.000 -0.046 0.000 1.082 225 I HN 0.392 nan 8.210 nan 0.000 0.432 226 A N 0.765 123.593 122.820 0.014 0.000 1.897 226 A HA -0.153 4.167 4.320 0.000 0.000 0.215 226 A C 2.501 180.111 177.584 0.044 0.000 1.181 226 A CA 1.809 53.874 52.037 0.047 0.000 0.620 226 A CB -0.615 18.398 19.000 0.021 0.000 0.821 226 A HN 0.486 nan 8.150 nan 0.000 0.443 227 S N -0.494 115.219 115.700 0.021 0.000 2.395 227 S HA 0.069 4.539 4.470 0.000 0.000 0.225 227 S C 1.865 176.476 174.600 0.019 0.000 1.027 227 S CA 0.891 59.100 58.200 0.015 0.000 0.965 227 S CB -0.895 62.306 63.200 0.002 0.000 0.812 227 S HN 0.648 nan 8.310 nan 0.000 0.482 228 G N 0.954 109.767 108.800 0.022 0.000 2.776 228 G HA2 0.089 4.049 3.960 0.000 0.000 0.209 228 G HA3 0.089 4.049 3.960 0.000 0.000 0.209 228 G C 0.003 174.926 174.900 0.037 0.000 1.145 228 G CA 0.269 45.383 45.100 0.024 0.000 0.791 228 G HN 0.536 nan 8.290 nan 0.000 0.530 229 D N -1.060 119.371 120.400 0.051 0.000 3.278 229 D HA -0.003 4.637 4.640 0.000 0.000 0.233 229 D C 1.335 177.677 176.300 0.071 0.000 1.149 229 D CA 1.485 55.520 54.000 0.057 0.000 0.957 229 D CB -1.249 39.569 40.800 0.030 0.000 0.913 229 D HN 0.938 nan 8.370 nan 0.000 0.409 230 G N 1.769 110.645 108.800 0.126 0.000 2.258 230 G HA2 -0.298 3.662 3.960 0.000 0.000 0.274 230 G HA3 -0.298 3.662 3.960 0.000 0.000 0.274 230 G C 0.128 175.086 174.900 0.096 0.000 1.021 230 G CA 0.904 46.090 45.100 0.144 0.000 0.798 230 G HN 0.706 nan 8.290 nan 0.000 0.507 231 Q N -1.750 118.092 119.800 0.071 0.000 2.391 231 Q HA 0.515 4.855 4.340 0.000 0.000 0.279 231 Q C -0.452 175.575 176.000 0.044 0.000 1.028 231 Q CA -0.677 55.161 55.803 0.058 0.000 0.836 231 Q CB 2.894 31.657 28.738 0.042 0.000 1.414 231 Q HN 0.794 nan 8.270 nan 0.000 0.397 232 V N -0.167 119.779 119.914 0.054 0.000 2.277 232 V HA 0.610 4.730 4.120 0.000 0.000 0.269 232 V C -0.461 175.658 176.094 0.043 0.000 1.036 232 V CA -0.177 62.144 62.300 0.035 0.000 0.821 232 V CB 0.488 32.322 31.823 0.019 0.000 1.052 232 V HN 0.718 nan 8.190 nan 0.000 0.462 233 S N 2.670 118.383 115.700 0.021 0.000 2.549 233 S HA 0.427 4.897 4.470 0.000 0.000 0.297 233 S C 1.186 175.787 174.600 0.002 0.000 1.115 233 S CA 0.079 58.286 58.200 0.011 0.000 1.059 233 S CB 1.367 64.569 63.200 0.004 0.000 1.046 233 S HN 0.852 nan 8.310 nan 0.000 0.506 234 T N 0.864 115.417 114.554 -0.002 0.000 2.685 234 T HA -0.286 4.064 4.350 0.000 0.000 0.268 234 T C 1.671 176.363 174.700 -0.013 0.000 1.034 234 T CA 1.863 63.958 62.100 -0.008 0.000 1.149 234 T CB -0.585 68.276 68.868 -0.011 0.000 0.860 234 T HN 0.742 nan 8.240 nan 0.000 0.449 235 Q N 0.825 120.618 119.800 -0.012 0.000 2.084 235 Q HA -0.087 4.253 4.340 0.000 0.000 0.202 235 Q C 2.553 178.544 176.000 -0.015 0.000 0.978 235 Q CA 1.402 57.196 55.803 -0.015 0.000 0.844 235 Q CB -0.336 28.394 28.738 -0.013 0.000 0.898 235 Q HN 0.644 nan 8.270 nan 0.000 0.426 236 A N -0.042 122.772 122.820 -0.010 0.000 1.832 236 A HA -0.133 4.187 4.320 0.000 0.000 0.214 236 A C 2.165 179.739 177.584 -0.017 0.000 1.200 236 A CA 1.480 53.511 52.037 -0.010 0.000 0.610 236 A CB -1.092 17.907 19.000 -0.002 0.000 0.842 236 A HN 0.265 nan 8.150 nan 0.000 0.444 237 V N 1.315 121.219 119.914 -0.016 0.000 2.232 237 V HA -0.397 3.723 4.120 0.000 0.000 0.251 237 V C 2.905 178.981 176.094 -0.030 0.000 1.048 237 V CA 3.186 65.472 62.300 -0.023 0.000 1.029 237 V CB -1.595 30.215 31.823 -0.021 0.000 0.658 237 V HN 0.825 nan 8.190 nan 0.000 0.464 238 S N 1.101 116.783 115.700 -0.030 0.000 2.421 238 S HA -0.335 4.135 4.470 0.000 0.000 0.239 238 S C 1.948 176.520 174.600 -0.047 0.000 1.054 238 S CA 1.956 60.132 58.200 -0.039 0.000 1.035 238 S CB -1.056 62.122 63.200 -0.037 0.000 0.840 238 S HN 0.857 nan 8.310 nan 0.000 0.475 239 A N 2.915 125.711 122.820 -0.039 0.000 1.829 239 A HA -0.081 4.239 4.320 0.000 0.000 0.216 239 A C 2.345 179.902 177.584 -0.045 0.000 1.207 239 A CA 2.060 54.072 52.037 -0.042 0.000 0.622 239 A CB -1.093 17.888 19.000 -0.030 0.000 0.846 239 A HN 0.561 nan 8.150 nan 0.000 0.447 240 M N -0.258 119.320 119.600 -0.036 0.000 2.352 240 M HA -0.253 4.228 4.480 0.000 0.000 0.260 240 M C 2.127 178.401 176.300 -0.044 0.000 1.068 240 M CA 2.138 57.417 55.300 -0.036 0.000 1.082 240 M CB -1.036 31.545 32.600 -0.031 0.000 1.262 240 M HN 0.381 nan 8.290 nan 0.000 0.444 241 L N -0.131 121.065 121.223 -0.044 0.000 2.137 241 L HA -0.150 4.190 4.340 0.000 0.000 0.213 241 L C 1.245 178.076 176.870 -0.065 0.000 1.085 241 L CA 1.127 55.938 54.840 -0.049 0.000 0.760 241 L CB -1.775 40.257 42.059 -0.045 0.000 0.893 241 L HN 0.812 nan 8.230 nan 0.000 0.434 242 G N 0.622 109.377 108.800 -0.075 0.000 2.417 242 G HA2 -0.212 3.748 3.960 0.000 0.000 0.291 242 G HA3 -0.212 3.748 3.960 0.000 0.000 0.291 242 G C 0.017 174.843 174.900 -0.123 0.000 1.094 242 G CA 0.372 45.408 45.100 -0.107 0.000 1.146 242 G HN 0.297 nan 8.290 nan 0.000 0.519 243 T N -0.695 113.798 114.554 -0.101 0.000 2.718 243 T HA 0.765 5.115 4.350 0.000 0.000 0.267 243 T C 0.292 174.938 174.700 -0.090 0.000 0.957 243 T CA -0.631 61.414 62.100 -0.092 0.000 1.025 243 T CB 1.206 70.036 68.868 -0.062 0.000 1.355 243 T HN 0.370 nan 8.240 nan 0.000 0.572 244 L N 1.640 122.822 121.223 -0.068 0.000 2.317 244 L HA 0.400 4.740 4.340 0.000 0.000 0.281 244 L C -0.010 176.837 176.870 -0.040 0.000 1.024 244 L CA -0.758 54.047 54.840 -0.058 0.000 0.810 244 L CB 1.298 43.328 42.059 -0.049 0.000 1.240 244 L HN 0.570 nan 8.230 nan 0.000 0.427 245 D N 2.823 123.201 120.400 -0.037 0.000 2.348 245 D HA -0.074 4.566 4.640 0.000 0.000 0.259 245 D C 0.744 177.032 176.300 -0.020 0.000 1.296 245 D CA 0.134 54.118 54.000 -0.027 0.000 0.931 245 D CB 0.805 41.590 40.800 -0.026 0.000 1.067 245 D HN 0.525 nan 8.370 nan 0.000 0.503 246 D N 2.881 123.272 120.400 -0.015 0.000 6.119 246 D HA -0.314 4.326 4.640 0.000 0.000 0.198 246 D C 1.229 177.524 176.300 -0.009 0.000 1.748 246 D CA 1.749 55.744 54.000 -0.009 0.000 0.819 246 D CB 0.012 40.808 40.800 -0.005 0.000 0.813 246 D HN 0.633 nan 8.370 nan 0.000 0.760 247 D N -0.165 120.228 120.400 -0.012 0.000 2.078 247 D HA -0.150 4.490 4.640 0.000 0.000 0.193 247 D C 2.075 178.368 176.300 -0.012 0.000 0.990 247 D CA 1.987 55.980 54.000 -0.011 0.000 0.827 247 D CB -0.238 40.555 40.800 -0.012 0.000 0.975 247 D HN 0.474 nan 8.370 nan 0.000 0.451 248 Q N 0.238 120.029 119.800 -0.015 0.000 2.170 248 Q HA -0.073 4.267 4.340 0.000 0.000 0.203 248 Q C 2.287 178.278 176.000 -0.014 0.000 0.976 248 Q CA 1.395 57.188 55.803 -0.016 0.000 0.858 248 Q CB -0.316 28.407 28.738 -0.024 0.000 0.907 248 Q HN 0.309 nan 8.270 nan 0.000 0.433 249 A N 2.078 124.890 122.820 -0.014 0.000 1.835 249 A HA -0.174 4.146 4.320 0.000 0.000 0.215 249 A C 2.147 179.727 177.584 -0.007 0.000 1.199 249 A CA 1.393 53.425 52.037 -0.008 0.000 0.615 249 A CB -0.878 18.119 19.000 -0.005 0.000 0.838 249 A HN 0.346 nan 8.150 nan 0.000 0.444 250 L N 0.775 121.994 121.223 -0.007 0.000 2.129 250 L HA -0.152 4.188 4.340 0.000 0.000 0.212 250 L C 2.209 179.068 176.870 -0.017 0.000 1.087 250 L CA 2.658 57.492 54.840 -0.011 0.000 0.757 250 L CB -0.776 41.278 42.059 -0.008 0.000 0.896 250 L HN 0.325 nan 8.230 nan 0.000 0.434 251 S N -1.067 114.625 115.700 -0.013 0.000 2.547 251 S HA -0.050 4.420 4.470 0.000 0.000 0.235 251 S C 1.734 176.326 174.600 -0.012 0.000 0.980 251 S CA 1.033 59.225 58.200 -0.012 0.000 0.941 251 S CB -0.233 62.962 63.200 -0.008 0.000 0.763 251 S HN 0.421 nan 8.310 nan 0.000 0.532 252 L N 0.175 121.390 121.223 -0.013 0.000 2.265 252 L HA 0.109 4.449 4.340 0.000 0.000 0.195 252 L C 2.301 179.152 176.870 -0.032 0.000 1.083 252 L CA 0.495 55.329 54.840 -0.010 0.000 0.798 252 L CB -0.541 41.520 42.059 0.003 0.000 0.989 252 L HN 0.074 nan 8.230 nan 0.000 0.472 253 V N 0.119 120.008 119.914 -0.041 0.000 2.277 253 V HA -0.414 3.706 4.120 0.000 0.000 0.253 253 V C 2.455 178.483 176.094 -0.110 0.000 1.067 253 V CA 2.275 64.525 62.300 -0.082 0.000 1.047 253 V CB -0.485 31.300 31.823 -0.064 0.000 0.649 253 V HN 0.472 nan 8.190 nan 0.000 0.447 254 E N -0.470 119.688 120.200 -0.070 0.000 2.070 254 E HA -0.256 4.094 4.350 0.000 0.000 0.197 254 E C 2.253 178.819 176.600 -0.057 0.000 1.004 254 E CA 1.509 57.873 56.400 -0.061 0.000 0.805 254 E CB -0.305 29.375 29.700 -0.034 0.000 0.744 254 E HN 0.616 nan 8.360 nan 0.000 0.451 255 A N 0.593 123.388 122.820 -0.042 0.000 2.014 255 A HA -0.141 4.179 4.320 0.000 0.000 0.218 255 A C 2.056 179.611 177.584 -0.049 0.000 1.163 255 A CA 1.121 53.141 52.037 -0.028 0.000 0.652 255 A CB -0.387 18.605 19.000 -0.012 0.000 0.808 255 A HN 0.318 nan 8.150 nan 0.000 0.449 256 M N -0.265 119.284 119.600 -0.084 0.000 2.099 256 M HA -0.116 4.364 4.480 0.000 0.000 0.262 256 M C 1.939 178.107 176.300 -0.221 0.000 1.067 256 M CA 1.829 57.056 55.300 -0.121 0.000 1.124 256 M CB -0.219 32.313 32.600 -0.115 0.000 1.353 256 M HN 0.234 nan 8.290 nan 0.000 0.410 257 V N 1.240 120.992 119.914 -0.270 0.000 2.287 257 V HA -0.292 3.828 4.120 0.000 0.000 0.248 257 V C 1.922 178.037 176.094 0.036 0.000 1.053 257 V CA 2.208 64.362 62.300 -0.243 0.000 1.027 257 V CB -1.122 30.576 31.823 -0.209 0.000 0.646 257 V HN 0.538 nan 8.190 nan 0.000 0.447 258 E N 0.394 120.607 120.200 0.023 0.000 2.455 258 E HA -0.064 4.286 4.350 0.000 0.000 0.202 258 E C 1.514 178.206 176.600 0.154 0.000 1.045 258 E CA 0.782 57.237 56.400 0.092 0.000 0.872 258 E CB -0.336 29.387 29.700 0.038 0.000 0.792 258 E HN 0.639 nan 8.360 nan 0.000 0.542 259 A N 1.997 124.882 122.820 0.108 0.000 2.979 259 A HA -0.225 4.096 4.320 0.000 0.000 0.260 259 A C 0.364 178.006 177.584 0.097 0.000 1.282 259 A CA 1.095 53.221 52.037 0.150 0.000 0.971 259 A CB -2.438 16.843 19.000 0.469 0.000 1.124 259 A HN 0.568 nan 8.150 nan 0.000 0.826 260 N N 0.422 119.153 118.700 0.053 0.000 2.457 260 N HA 0.428 5.168 4.740 0.000 0.000 0.250 260 N C 1.040 176.567 175.510 0.027 0.000 0.982 260 N CA 0.437 53.513 53.050 0.043 0.000 0.941 260 N CB 1.445 39.955 38.487 0.037 0.000 1.120 260 N HN 0.417 nan 8.380 nan 0.000 0.505 261 G N 3.220 112.039 108.800 0.031 0.000 2.844 261 G HA2 -0.296 3.664 3.960 0.000 0.000 0.211 261 G HA3 -0.296 3.664 3.960 0.000 0.000 0.211 261 G C 0.911 175.825 174.900 0.023 0.000 1.368 261 G CA 0.937 46.052 45.100 0.026 0.000 0.815 261 G HN 0.785 nan 8.290 nan 0.000 0.649 262 E N -0.418 119.795 120.200 0.023 0.000 2.755 262 E HA -0.388 3.963 4.350 0.000 0.000 0.241 262 E C 2.437 179.050 176.600 0.021 0.000 0.977 262 E CA 1.859 58.271 56.400 0.021 0.000 1.398 262 E CB -0.544 29.168 29.700 0.020 0.000 1.343 262 E HN 0.161 nan 8.360 nan 0.000 0.482 263 R N 0.797 121.308 120.500 0.019 0.000 2.113 263 R HA -0.141 4.199 4.340 0.000 0.000 0.244 263 R C 2.472 178.784 176.300 0.019 0.000 1.142 263 R CA 1.229 57.339 56.100 0.017 0.000 0.953 263 R CB -1.161 29.146 30.300 0.013 0.000 0.860 263 R HN 0.201 nan 8.270 nan 0.000 0.438 264 V N 1.332 121.257 119.914 0.019 0.000 2.215 264 V HA -0.342 3.778 4.120 0.000 0.000 0.246 264 V C 2.565 178.682 176.094 0.038 0.000 1.047 264 V CA 2.189 64.503 62.300 0.024 0.000 0.999 264 V CB -0.457 31.378 31.823 0.019 0.000 0.635 264 V HN 0.274 nan 8.190 nan 0.000 0.450 265 M N -0.490 119.131 119.600 0.033 0.000 2.192 265 M HA -0.243 4.237 4.480 0.000 0.000 0.259 265 M C 2.239 178.566 176.300 0.045 0.000 1.071 265 M CA 2.302 57.624 55.300 0.036 0.000 1.082 265 M CB -1.659 30.955 32.600 0.023 0.000 1.373 265 M HN 0.509 nan 8.290 nan 0.000 0.408 266 A N 0.360 123.202 122.820 0.037 0.000 1.855 266 A HA -0.110 4.210 4.320 0.000 0.000 0.215 266 A C 2.227 179.838 177.584 0.045 0.000 1.191 266 A CA 1.274 53.332 52.037 0.036 0.000 0.613 266 A CB -0.848 18.168 19.000 0.026 0.000 0.829 266 A HN 0.504 nan 8.150 nan 0.000 0.442 267 L N -0.772 120.478 121.223 0.043 0.000 2.201 267 L HA -0.105 4.236 4.340 0.000 0.000 0.212 267 L C 2.371 179.284 176.870 0.071 0.000 1.105 267 L CA 0.728 55.594 54.840 0.043 0.000 0.775 267 L CB -0.538 41.540 42.059 0.031 0.000 0.913 267 L HN 0.327 nan 8.230 nan 0.000 0.440 268 I N -0.080 120.555 120.570 0.109 0.000 2.142 268 I HA -0.283 3.887 4.170 0.000 0.000 0.240 268 I C 2.488 178.744 176.117 0.232 0.000 1.078 268 I CA 1.161 62.587 61.300 0.210 0.000 1.343 268 I CB -0.271 37.862 38.000 0.221 0.000 1.046 268 I HN 0.323 nan 8.210 nan 0.000 0.405 269 N N 0.634 119.429 118.700 0.158 0.000 2.013 269 N HA -0.273 4.467 4.740 0.000 0.000 0.195 269 N C 1.786 177.354 175.510 0.096 0.000 1.051 269 N CA 1.652 54.784 53.050 0.135 0.000 0.851 269 N CB -0.433 38.103 38.487 0.082 0.000 1.044 269 N HN 0.308 nan 8.380 nan 0.000 0.422 270 E N 0.050 120.286 120.200 0.061 0.000 2.197 270 E HA -0.263 4.087 4.350 0.000 0.000 0.205 270 E C 1.568 178.177 176.600 0.015 0.000 1.029 270 E CA 1.726 58.145 56.400 0.032 0.000 0.828 270 E CB -0.068 29.647 29.700 0.024 0.000 0.737 270 E HN 0.443 nan 8.360 nan 0.000 0.464 271 A N 0.228 123.059 122.820 0.020 0.000 1.911 271 A HA 0.206 4.526 4.320 0.000 0.000 0.212 271 A C 2.296 179.823 177.584 -0.095 0.000 1.189 271 A CA 1.030 53.039 52.037 -0.046 0.000 0.639 271 A CB -0.453 18.513 19.000 -0.057 0.000 0.839 271 A HN 0.355 nan 8.150 nan 0.000 0.449 272 A N 0.070 122.907 122.820 0.029 0.000 2.070 272 A HA 0.187 4.507 4.320 0.000 0.000 0.220 272 A C 2.344 179.960 177.584 0.054 0.000 1.159 272 A CA 1.824 53.927 52.037 0.110 0.000 0.656 272 A CB -0.771 18.508 19.000 0.464 0.000 0.800 272 A HN 0.932 nan 8.150 nan 0.000 0.453 273 A N 0.423 123.264 122.820 0.036 0.000 1.877 273 A HA -0.162 4.158 4.320 0.000 0.000 0.216 273 A C 2.089 179.664 177.584 -0.015 0.000 1.186 273 A CA 1.414 53.462 52.037 0.019 0.000 0.620 273 A CB -0.438 18.572 19.000 0.016 0.000 0.822 273 A HN 0.543 nan 8.150 nan 0.000 0.443 274 R N -0.517 119.956 120.500 -0.046 0.000 2.339 274 R HA 0.184 4.524 4.340 0.000 0.000 0.199 274 R C 0.833 177.078 176.300 -0.091 0.000 1.018 274 R CA 0.364 56.426 56.100 -0.064 0.000 1.036 274 R CB -0.576 29.679 30.300 -0.075 0.000 0.899 274 R HN 0.682 nan 8.270 nan 0.000 0.473 275 G N 2.267 111.007 108.800 -0.101 0.000 2.387 275 G HA2 -0.257 3.703 3.960 0.000 0.000 0.270 275 G HA3 -0.257 3.703 3.960 0.000 0.000 0.270 275 G C 0.034 174.794 174.900 -0.233 0.000 0.957 275 G CA -0.144 44.881 45.100 -0.125 0.000 1.352 275 G HN 0.264 nan 8.290 nan 0.000 0.457 276 I N -0.490 119.817 120.570 -0.438 0.000 3.156 276 I HA 0.488 4.659 4.170 0.000 0.000 0.306 276 I C 0.560 176.335 176.117 -0.570 0.000 1.048 276 I CA -0.863 60.124 61.300 -0.521 0.000 1.207 276 I CB 0.663 38.223 38.000 -0.734 0.000 1.456 276 I HN 0.038 nan 8.210 nan 0.000 0.616 277 E N 1.632 121.583 120.200 -0.414 0.000 2.070 277 E HA 0.100 4.450 4.350 0.000 0.000 0.261 277 E C 0.023 176.485 176.600 -0.231 0.000 0.926 277 E CA -0.311 55.936 56.400 -0.255 0.000 0.760 277 E CB 0.680 30.305 29.700 -0.126 0.000 1.133 277 E HN 0.523 nan 8.360 nan 0.000 0.420 278 W N 2.143 123.433 121.300 -0.016 0.000 2.277 278 W HA -0.279 4.381 4.660 0.000 0.000 0.327 278 W C 2.062 178.569 176.519 -0.020 0.000 1.284 278 W CA 1.540 58.875 57.345 -0.017 0.000 1.277 278 W CB -0.117 29.333 29.460 -0.017 0.000 1.141 278 W HN 0.597 nan 8.180 nan 0.000 0.482 279 E N 0.120 120.420 120.200 0.167 0.000 2.171 279 E HA -0.241 4.109 4.350 0.000 0.000 0.197 279 E C 2.143 178.768 176.600 0.040 0.000 0.997 279 E CA 1.447 57.899 56.400 0.087 0.000 0.810 279 E CB -0.281 29.449 29.700 0.049 0.000 0.738 279 E HN 0.240 nan 8.360 nan 0.000 0.467 280 A N 0.531 123.354 122.820 0.004 0.000 2.167 280 A HA -0.004 4.316 4.320 0.000 0.000 0.214 280 A C 1.981 179.550 177.584 -0.026 0.000 1.151 280 A CA 0.267 52.290 52.037 -0.024 0.000 0.735 280 A CB -0.315 18.653 19.000 -0.053 0.000 0.802 280 A HN 0.402 nan 8.150 nan 0.000 0.467 281 L N -1.229 119.986 121.223 -0.012 0.000 2.551 281 L HA 0.084 4.424 4.340 0.000 0.000 0.228 281 L C 1.634 178.522 176.870 0.030 0.000 1.153 281 L CA 0.817 55.655 54.840 -0.003 0.000 0.851 281 L CB -0.038 42.037 42.059 0.028 0.000 0.959 281 L HN 0.373 nan 8.230 nan 0.000 0.451 282 L N -2.707 118.536 121.223 0.034 0.000 2.349 282 L HA 0.049 4.389 4.340 0.000 0.000 0.200 282 L C 2.268 179.139 176.870 0.001 0.000 1.064 282 L CA 0.140 54.992 54.840 0.020 0.000 0.821 282 L CB -0.380 41.690 42.059 0.018 0.000 1.027 282 L HN -0.123 nan 8.230 nan 0.000 0.476 283 V N 0.457 120.371 119.914 -0.000 0.000 2.317 283 V HA -0.302 3.818 4.120 0.000 0.000 0.251 283 V C 2.538 178.634 176.094 0.004 0.000 1.065 283 V CA 1.841 64.139 62.300 -0.005 0.000 1.049 283 V CB -0.515 31.303 31.823 -0.008 0.000 0.651 283 V HN 0.448 nan 8.190 nan 0.000 0.450 284 E N -0.753 119.447 120.200 0.001 0.000 2.107 284 E HA -0.084 4.266 4.350 0.000 0.000 0.191 284 E C 2.156 178.769 176.600 0.022 0.000 0.982 284 E CA 1.043 57.447 56.400 0.006 0.000 0.809 284 E CB -0.297 29.398 29.700 -0.008 0.000 0.756 284 E HN 0.587 nan 8.360 nan 0.000 0.459 285 M N 0.323 119.936 119.600 0.022 0.000 2.074 285 M HA -0.106 4.374 4.480 0.000 0.000 0.259 285 M C 2.518 178.857 176.300 0.066 0.000 1.079 285 M CA 1.254 56.574 55.300 0.033 0.000 1.119 285 M CB -0.777 31.838 32.600 0.024 0.000 1.297 285 M HN 0.024 nan 8.290 nan 0.000 0.416 286 L N 0.376 121.630 121.223 0.052 0.000 2.119 286 L HA -0.300 4.040 4.340 0.000 0.000 0.226 286 L C 2.621 179.621 176.870 0.217 0.000 1.093 286 L CA 1.798 56.697 54.840 0.099 0.000 0.806 286 L CB -1.795 40.250 42.059 -0.024 0.000 0.902 286 L HN 0.548 nan 8.230 nan 0.000 0.444 287 G N -0.031 108.845 108.800 0.126 0.000 2.628 287 G HA2 -0.298 3.663 3.960 0.000 0.000 0.217 287 G HA3 -0.298 3.663 3.960 0.000 0.000 0.217 287 G C 1.495 176.499 174.900 0.173 0.000 1.240 287 G CA 1.320 46.492 45.100 0.119 0.000 0.792 287 G HN 0.289 nan 8.290 nan 0.000 0.593 288 L N 0.059 121.353 121.223 0.119 0.000 1.971 288 L HA -0.125 4.216 4.340 0.000 0.000 0.215 288 L C 2.979 179.921 176.870 0.120 0.000 1.072 288 L CA 0.758 55.657 54.840 0.099 0.000 0.758 288 L CB -0.604 41.487 42.059 0.053 0.000 0.889 288 L HN 0.143 nan 8.230 nan 0.000 0.433 289 L N -0.442 120.865 121.223 0.140 0.000 2.064 289 L HA -0.354 3.986 4.340 0.000 0.000 0.216 289 L C 2.595 179.547 176.870 0.137 0.000 1.077 289 L CA 2.451 57.385 54.840 0.156 0.000 0.766 289 L CB -1.609 40.608 42.059 0.263 0.000 0.890 289 L HN 0.493 nan 8.230 nan 0.000 0.435 290 H N 0.276 119.413 119.070 0.112 0.000 2.251 290 H HA -0.169 4.387 4.556 0.000 0.000 0.294 290 H C 2.479 177.803 175.328 -0.007 0.000 1.078 290 H CA 2.046 58.098 56.048 0.006 0.000 1.246 290 H CB 0.006 29.794 29.762 0.044 0.000 1.358 290 H HN 0.016 nan 8.280 nan 0.000 0.488 291 R N 0.164 120.679 120.500 0.025 0.000 2.103 291 R HA -0.136 4.204 4.340 0.000 0.000 0.242 291 R C 2.561 178.824 176.300 -0.060 0.000 1.142 291 R CA 1.621 57.715 56.100 -0.010 0.000 0.960 291 R CB -0.582 29.768 30.300 0.083 0.000 0.858 291 R HN 0.470 nan 8.270 nan 0.000 0.439 292 I N 0.358 120.910 120.570 -0.029 0.000 2.036 292 I HA -0.286 3.884 4.170 0.000 0.000 0.231 292 I C 2.393 178.476 176.117 -0.056 0.000 1.044 292 I CA 1.511 62.794 61.300 -0.027 0.000 1.315 292 I CB -0.677 37.320 38.000 -0.006 0.000 1.051 292 I HN 0.121 nan 8.210 nan 0.000 0.391 293 A N 0.079 122.860 122.820 -0.065 0.000 2.255 293 A HA -0.222 4.098 4.320 0.000 0.000 0.218 293 A C 2.261 179.772 177.584 -0.122 0.000 1.175 293 A CA 1.551 53.541 52.037 -0.079 0.000 0.682 293 A CB -0.578 18.373 19.000 -0.081 0.000 0.784 293 A HN 0.451 nan 8.150 nan 0.000 0.482 294 M N -1.155 118.345 119.600 -0.166 0.000 2.394 294 M HA -0.016 4.464 4.480 0.000 0.000 0.266 294 M C 1.717 177.964 176.300 -0.087 0.000 1.098 294 M CA 1.035 56.235 55.300 -0.166 0.000 1.149 294 M CB -0.093 32.367 32.600 -0.234 0.000 1.369 294 M HN 0.275 nan 8.290 nan 0.000 0.450 295 V N -0.027 119.848 119.914 -0.064 0.000 3.129 295 V HA -0.137 3.983 4.120 0.000 0.000 0.259 295 V C 1.861 177.937 176.094 -0.030 0.000 1.116 295 V CA 0.894 63.172 62.300 -0.036 0.000 1.127 295 V CB -0.818 30.990 31.823 -0.025 0.000 0.742 295 V HN 0.508 nan 8.190 nan 0.000 0.474 296 Q N -0.073 119.706 119.800 -0.035 0.000 2.389 296 Q HA 0.011 4.351 4.340 0.000 0.000 0.204 296 Q C 2.083 178.068 176.000 -0.025 0.000 0.944 296 Q CA 0.887 56.675 55.803 -0.024 0.000 0.908 296 Q CB 0.029 28.754 28.738 -0.020 0.000 1.002 296 Q HN 0.596 nan 8.270 nan 0.000 0.493 297 L N -0.418 120.784 121.223 -0.035 0.000 2.298 297 L HA 0.123 4.463 4.340 0.000 0.000 0.209 297 L C -0.141 176.714 176.870 -0.024 0.000 1.084 297 L CA 0.765 55.586 54.840 -0.032 0.000 0.816 297 L CB 0.808 42.840 42.059 -0.044 0.000 0.967 297 L HN -0.075 nan 8.230 nan 0.000 0.460 298 S N -0.625 115.060 115.700 -0.025 0.000 2.680 298 S HA 0.420 4.890 4.470 0.000 0.000 0.262 298 S C -2.261 172.330 174.600 -0.016 0.000 1.138 298 S CA -0.840 57.350 58.200 -0.017 0.000 1.072 298 S CB 1.197 64.388 63.200 -0.015 0.000 1.097 298 S HN 0.006 nan 8.310 nan 0.000 0.468 299 P HA -0.115 nan 4.420 nan 0.000 0.223 299 P C 1.377 178.673 177.300 -0.007 0.000 1.144 299 P CA 1.164 64.258 63.100 -0.010 0.000 0.783 299 P CB -0.022 31.674 31.700 -0.007 0.000 0.771 300 A N 1.087 123.903 122.820 -0.006 0.000 1.969 300 A HA 0.072 4.392 4.320 0.000 0.000 0.218 300 A C 2.007 179.590 177.584 -0.002 0.000 1.169 300 A CA 1.100 53.136 52.037 -0.003 0.000 0.635 300 A CB -1.368 17.631 19.000 -0.002 0.000 0.810 300 A HN 0.221 nan 8.150 nan 0.000 0.445 301 A N -0.206 122.611 122.820 -0.005 0.000 2.855 301 A HA 0.416 4.736 4.320 0.000 0.000 0.246 301 A C 0.173 177.758 177.584 0.001 0.000 1.871 301 A CA 0.475 52.510 52.037 -0.003 0.000 1.569 301 A CB -1.008 17.982 19.000 -0.016 0.000 0.836 301 A HN 0.481 nan 8.150 nan 0.000 0.625 302 L N 0.381 121.607 121.223 0.005 0.000 2.441 302 L HA 0.496 4.836 4.340 0.000 0.000 0.270 302 L C 1.059 177.935 176.870 0.010 0.000 0.973 302 L CA -0.782 54.062 54.840 0.008 0.000 0.842 302 L CB 1.588 43.649 42.059 0.003 0.000 1.239 302 L HN 0.569 nan 8.230 nan 0.000 0.406 303 G N 2.829 111.638 108.800 0.015 0.000 2.221 303 G HA2 -0.191 3.769 3.960 0.000 0.000 0.536 303 G HA3 -0.191 3.769 3.960 0.000 0.000 0.536 303 G C 0.422 175.326 174.900 0.006 0.000 1.308 303 G CA 0.097 45.205 45.100 0.013 0.000 1.227 303 G HN 0.844 nan 8.290 nan 0.000 0.674 304 N N -1.477 117.225 118.700 0.003 0.000 2.159 304 N HA 0.054 4.794 4.740 0.000 0.000 0.217 304 N C 0.247 175.754 175.510 -0.005 0.000 1.223 304 N CA 0.017 53.066 53.050 -0.002 0.000 0.896 304 N CB 0.780 39.265 38.487 -0.003 0.000 1.064 304 N HN 0.417 nan 8.380 nan 0.000 0.518 305 D N -0.052 120.346 120.400 -0.003 0.000 2.498 305 D HA 0.193 4.833 4.640 0.000 0.000 0.223 305 D C 1.875 178.172 176.300 -0.004 0.000 1.125 305 D CA -0.001 53.994 54.000 -0.007 0.000 0.835 305 D CB 0.454 41.249 40.800 -0.008 0.000 1.086 305 D HN -0.099 nan 8.370 nan 0.000 0.510 306 M N 0.693 120.294 119.600 0.000 0.000 2.255 306 M HA -0.147 4.333 4.480 0.000 0.000 0.259 306 M C 2.139 178.438 176.300 -0.002 0.000 1.071 306 M CA 0.995 56.297 55.300 0.002 0.000 1.074 306 M CB -1.010 31.595 32.600 0.007 0.000 1.384 306 M HN 0.131 nan 8.290 nan 0.000 0.415 307 A N 0.848 123.666 122.820 -0.004 0.000 1.916 307 A HA -0.309 4.011 4.320 0.000 0.000 0.224 307 A C 2.371 179.951 177.584 -0.007 0.000 1.366 307 A CA 3.215 55.249 52.037 -0.006 0.000 0.692 307 A CB -1.348 17.646 19.000 -0.009 0.000 0.841 307 A HN 0.566 nan 8.150 nan 0.000 0.480 308 A N -0.677 122.138 122.820 -0.008 0.000 2.139 308 A HA 0.010 4.330 4.320 0.000 0.000 0.221 308 A C 1.902 179.482 177.584 -0.007 0.000 1.159 308 A CA 1.690 53.721 52.037 -0.009 0.000 0.662 308 A CB -0.708 18.285 19.000 -0.011 0.000 0.796 308 A HN 1.370 nan 8.150 nan 0.000 0.463 309 I N -5.218 115.349 120.570 -0.005 0.000 4.338 309 I HA 0.262 4.432 4.170 0.000 0.000 0.329 309 I C 1.412 177.527 176.117 -0.004 0.000 1.378 309 I CA 0.614 61.912 61.300 -0.005 0.000 1.170 309 I CB -0.044 37.954 38.000 -0.004 0.000 1.206 309 I HN 0.246 nan 8.210 nan 0.000 0.432 310 E N 1.901 122.099 120.200 -0.003 0.000 2.065 310 E HA -0.298 4.052 4.350 0.000 0.000 0.201 310 E C 2.161 178.759 176.600 -0.003 0.000 1.016 310 E CA 2.476 58.874 56.400 -0.003 0.000 0.818 310 E CB -0.113 29.585 29.700 -0.003 0.000 0.749 310 E HN 0.587 nan 8.360 nan 0.000 0.453 311 L N 1.113 122.333 121.223 -0.004 0.000 2.043 311 L HA -0.229 4.111 4.340 0.000 0.000 0.212 311 L C 2.328 179.195 176.870 -0.004 0.000 1.075 311 L CA 1.900 56.737 54.840 -0.004 0.000 0.752 311 L CB -0.171 41.885 42.059 -0.004 0.000 0.891 311 L HN 0.058 nan 8.230 nan 0.000 0.432 312 R N -1.796 118.701 120.500 -0.005 0.000 2.153 312 R HA -0.037 4.303 4.340 0.000 0.000 0.218 312 R C 2.096 178.392 176.300 -0.007 0.000 1.072 312 R CA 1.084 57.181 56.100 -0.006 0.000 0.990 312 R CB -0.323 29.973 30.300 -0.007 0.000 0.889 312 R HN 0.327 nan 8.270 nan 0.000 0.452 313 M N 0.572 120.169 119.600 -0.005 0.000 2.064 313 M HA -0.101 4.379 4.480 0.000 0.000 0.260 313 M C 2.129 178.425 176.300 -0.006 0.000 1.073 313 M CA 1.695 56.993 55.300 -0.004 0.000 1.124 313 M CB -0.799 31.800 32.600 -0.001 0.000 1.326 313 M HN 0.000 nan 8.290 nan 0.000 0.410 314 R N -0.069 120.428 120.500 -0.005 0.000 2.113 314 R HA -0.222 4.118 4.340 0.000 0.000 0.244 314 R C 2.106 178.403 176.300 -0.004 0.000 1.142 314 R CA 1.889 57.986 56.100 -0.005 0.000 0.953 314 R CB -0.385 29.912 30.300 -0.004 0.000 0.860 314 R HN 0.308 nan 8.270 nan 0.000 0.438 315 E N 0.776 120.974 120.200 -0.004 0.000 1.987 315 E HA -0.209 4.141 4.350 0.000 0.000 0.214 315 E C 1.761 178.359 176.600 -0.003 0.000 1.012 315 E CA 1.632 58.031 56.400 -0.003 0.000 0.881 315 E CB -0.615 29.083 29.700 -0.003 0.000 0.806 315 E HN 0.171 nan 8.360 nan 0.000 0.516 316 L N -0.234 120.985 121.223 -0.007 0.000 2.201 316 L HA -0.415 3.925 4.340 0.000 0.000 0.233 316 L C 2.387 179.256 176.870 -0.003 0.000 1.115 316 L CA 2.027 56.861 54.840 -0.010 0.000 0.840 316 L CB -1.136 40.910 42.059 -0.023 0.000 0.924 316 L HN 0.401 nan 8.230 nan 0.000 0.450 317 A N 0.752 123.570 122.820 -0.004 0.000 1.834 317 A HA -0.279 4.041 4.320 0.000 0.000 0.216 317 A C 2.194 179.779 177.584 0.002 0.000 1.203 317 A CA 2.285 54.320 52.037 -0.003 0.000 0.621 317 A CB -0.768 18.227 19.000 -0.008 0.000 0.841 317 A HN 0.597 nan 8.150 nan 0.000 0.446 318 R N -0.061 120.439 120.500 0.001 0.000 2.159 318 R HA -0.117 4.223 4.340 0.000 0.000 0.237 318 R C 1.754 178.059 176.300 0.008 0.000 1.131 318 R CA 2.433 58.535 56.100 0.003 0.000 0.982 318 R CB -1.110 29.191 30.300 0.001 0.000 0.868 318 R HN 0.553 nan 8.270 nan 0.000 0.453 319 T N -2.269 112.291 114.554 0.010 0.000 3.037 319 T HA 0.281 4.631 4.350 0.000 0.000 0.251 319 T C 0.736 175.453 174.700 0.029 0.000 1.079 319 T CA -0.221 61.889 62.100 0.016 0.000 1.067 319 T CB -0.011 68.865 68.868 0.014 0.000 0.948 319 T HN 0.170 nan 8.240 nan 0.000 0.496 320 I N 2.026 122.617 120.570 0.036 0.000 2.460 320 I HA 0.439 4.609 4.170 0.000 0.000 0.298 320 I C -2.698 173.460 176.117 0.069 0.000 0.989 320 I CA -3.265 58.074 61.300 0.065 0.000 1.173 320 I CB 1.913 39.958 38.000 0.074 0.000 1.338 320 I HN -0.157 nan 8.210 nan 0.000 0.456 321 P HA 0.052 nan 4.420 nan 0.000 0.267 321 P C -1.880 175.466 177.300 0.076 0.000 1.209 321 P CA -0.990 62.150 63.100 0.066 0.000 0.763 321 P CB 0.173 31.911 31.700 0.064 0.000 0.816 322 P HA -0.275 nan 4.420 nan 0.000 0.216 322 P C 1.421 178.754 177.300 0.054 0.000 1.157 322 P CA 1.949 65.073 63.100 0.040 0.000 0.880 322 P CB -0.303 31.404 31.700 0.012 0.000 0.791 323 T N -0.205 114.375 114.554 0.043 0.000 2.592 323 T HA -0.230 4.120 4.350 0.000 0.000 0.267 323 T C 1.478 176.213 174.700 0.059 0.000 1.060 323 T CA 2.519 64.643 62.100 0.040 0.000 1.167 323 T CB -1.164 67.722 68.868 0.030 0.000 0.863 323 T HN 0.139 nan 8.240 nan 0.000 0.431 324 D N 0.235 120.687 120.400 0.086 0.000 2.127 324 D HA -0.081 4.559 4.640 0.000 0.000 0.190 324 D C 2.051 178.477 176.300 0.210 0.000 1.000 324 D CA 1.109 55.183 54.000 0.124 0.000 0.839 324 D CB -0.358 40.580 40.800 0.230 0.000 0.955 324 D HN 0.378 nan 8.370 nan 0.000 0.446 325 I N 0.428 121.183 120.570 0.308 0.000 2.264 325 I HA -0.265 3.905 4.170 0.000 0.000 0.248 325 I C 2.146 178.440 176.117 0.295 0.000 1.111 325 I CA 0.930 62.461 61.300 0.385 0.000 1.382 325 I CB -0.205 37.914 38.000 0.199 0.000 1.060 325 I HN 0.103 nan 8.210 nan 0.000 0.418 326 Q N 0.045 119.942 119.800 0.162 0.000 2.439 326 Q HA -0.184 4.156 4.340 0.000 0.000 0.211 326 Q C 2.019 178.112 176.000 0.155 0.000 0.978 326 Q CA 1.183 57.064 55.803 0.131 0.000 0.897 326 Q CB -0.154 28.621 28.738 0.061 0.000 0.956 326 Q HN 0.466 nan 8.270 nan 0.000 0.483 327 L N -1.493 119.782 121.223 0.087 0.000 2.145 327 L HA -0.029 4.312 4.340 0.000 0.000 0.201 327 L C 1.755 178.606 176.870 -0.031 0.000 1.075 327 L CA 1.428 56.250 54.840 -0.031 0.000 0.773 327 L CB -0.834 41.114 42.059 -0.185 0.000 0.936 327 L HN -0.016 nan 8.230 nan 0.000 0.451 328 Y N -1.233 119.130 120.300 0.104 0.000 2.145 328 Y HA -0.277 4.273 4.550 0.000 0.000 0.286 328 Y C 2.577 178.517 175.900 0.066 0.000 1.145 328 Y CA 2.370 60.510 58.100 0.067 0.000 1.148 328 Y CB -1.291 37.206 38.460 0.061 0.000 0.981 328 Y HN 0.299 nan 8.280 nan 0.000 0.507 329 Y N 1.306 121.724 120.300 0.198 0.000 1.993 329 Y HA -0.435 4.115 4.550 0.000 0.000 0.267 329 Y C 2.767 178.714 175.900 0.078 0.000 1.155 329 Y CA 2.475 60.649 58.100 0.123 0.000 1.105 329 Y CB -0.842 37.684 38.460 0.110 0.000 0.960 329 Y HN 0.232 nan 8.280 nan 0.000 0.486 330 Q N -0.827 119.077 119.800 0.173 0.000 2.234 330 Q HA -0.180 4.160 4.340 0.000 0.000 0.206 330 Q C 1.839 177.802 176.000 -0.062 0.000 0.980 330 Q CA 2.069 57.888 55.803 0.028 0.000 0.869 330 Q CB -0.185 28.621 28.738 0.113 0.000 0.912 330 Q HN 0.574 nan 8.270 nan 0.000 0.436 331 T N 0.794 115.324 114.554 -0.040 0.000 2.867 331 T HA -0.053 4.297 4.350 0.000 0.000 0.268 331 T C 1.616 176.271 174.700 -0.075 0.000 1.057 331 T CA 0.916 62.974 62.100 -0.069 0.000 1.136 331 T CB 0.010 68.840 68.868 -0.063 0.000 0.874 331 T HN 0.272 nan 8.240 nan 0.000 0.466 332 L N 0.006 121.182 121.223 -0.078 0.000 2.209 332 L HA 0.183 4.523 4.340 0.000 0.000 0.207 332 L C 2.278 179.070 176.870 -0.130 0.000 1.094 332 L CA 0.372 55.163 54.840 -0.082 0.000 0.790 332 L CB -0.445 41.574 42.059 -0.068 0.000 0.932 332 L HN 0.231 nan 8.230 nan 0.000 0.447 333 L N 0.520 121.608 121.223 -0.225 0.000 1.921 333 L HA -0.277 4.063 4.340 0.000 0.000 0.219 333 L C 2.444 179.245 176.870 -0.116 0.000 1.081 333 L CA 1.729 56.425 54.840 -0.240 0.000 0.771 333 L CB -0.255 41.605 42.059 -0.332 0.000 0.888 333 L HN 0.076 nan 8.230 nan 0.000 0.433 334 I N 0.109 120.626 120.570 -0.088 0.000 2.576 334 I HA -0.312 3.858 4.170 0.000 0.000 0.263 334 I C 2.313 178.403 176.117 -0.046 0.000 1.183 334 I CA 1.058 62.326 61.300 -0.054 0.000 1.432 334 I CB -0.945 37.020 38.000 -0.058 0.000 1.100 334 I HN 0.556 nan 8.210 nan 0.000 0.452 335 G N 0.872 109.637 108.800 -0.058 0.000 2.484 335 G HA2 -0.325 3.635 3.960 0.000 0.000 0.215 335 G HA3 -0.325 3.635 3.960 0.000 0.000 0.215 335 G C 1.603 176.493 174.900 -0.016 0.000 1.219 335 G CA 1.031 46.107 45.100 -0.039 0.000 0.791 335 G HN 0.260 nan 8.290 nan 0.000 0.550 336 R N 0.633 121.120 120.500 -0.021 0.000 2.133 336 R HA -0.158 4.182 4.340 0.000 0.000 0.245 336 R C 2.465 178.771 176.300 0.011 0.000 1.137 336 R CA 2.323 58.419 56.100 -0.006 0.000 0.947 336 R CB -0.551 29.736 30.300 -0.022 0.000 0.865 336 R HN 0.373 nan 8.270 nan 0.000 0.437 337 K N -0.067 120.338 120.400 0.009 0.000 2.030 337 K HA -0.282 4.038 4.320 0.000 0.000 0.222 337 K C 1.916 178.572 176.600 0.095 0.000 1.056 337 K CA 2.631 58.943 56.287 0.041 0.000 0.957 337 K CB -0.227 32.287 32.500 0.023 0.000 0.727 337 K HN 0.517 nan 8.250 nan 0.000 0.452 338 E N 0.517 120.768 120.200 0.085 0.000 2.204 338 E HA -0.184 4.167 4.350 0.000 0.000 0.194 338 E C 1.967 178.650 176.600 0.138 0.000 0.989 338 E CA 0.511 57.005 56.400 0.155 0.000 0.824 338 E CB -0.152 29.596 29.700 0.079 0.000 0.756 338 E HN 0.123 nan 8.360 nan 0.000 0.477 339 L N 2.049 123.302 121.223 0.050 0.000 2.077 339 L HA -0.243 4.097 4.340 0.000 0.000 0.231 339 L C -0.771 176.067 176.870 -0.053 0.000 1.100 339 L CA 2.456 57.299 54.840 0.005 0.000 0.819 339 L CB -1.391 40.670 42.059 0.004 0.000 0.913 339 L HN 0.118 nan 8.230 nan 0.000 0.446 340 P HA -0.188 nan 4.420 nan 0.000 0.220 340 P C 0.813 177.833 177.300 -0.468 0.000 1.144 340 P CA 1.702 64.582 63.100 -0.368 0.000 0.800 340 P CB -0.194 31.151 31.700 -0.591 0.000 0.772 341 Y N -1.578 118.713 120.300 -0.015 0.000 2.444 341 Y HA 0.452 5.002 4.550 0.000 0.000 0.249 341 Y C 1.338 177.223 175.900 -0.024 0.000 1.134 341 Y CA -0.547 57.542 58.100 -0.018 0.000 1.261 341 Y CB -0.291 38.159 38.460 -0.017 0.000 1.143 341 Y HN -0.181 nan 8.280 nan 0.000 0.523 342 A N 2.746 125.612 122.820 0.077 0.000 2.409 342 A HA 0.215 4.535 4.320 0.000 0.000 0.262 342 A C -1.561 176.020 177.584 -0.004 0.000 1.113 342 A CA -1.354 50.699 52.037 0.026 0.000 0.790 342 A CB -0.138 18.857 19.000 -0.009 0.000 1.046 342 A HN 0.110 nan 8.150 nan 0.000 0.496 343 P HA -0.002 nan 4.420 nan 0.000 0.296 343 P C -0.510 176.764 177.300 -0.043 0.000 1.447 343 P CA 0.896 63.984 63.100 -0.019 0.000 0.750 343 P CB -0.362 31.327 31.700 -0.017 0.000 1.451 344 D N -0.567 119.798 120.400 -0.059 0.000 2.369 344 D HA -0.022 4.618 4.640 0.000 0.000 0.164 344 D C 0.826 177.053 176.300 -0.122 0.000 0.891 344 D CA -0.447 53.501 54.000 -0.087 0.000 1.027 344 D CB 0.422 41.161 40.800 -0.103 0.000 4.453 344 D HN -0.150 nan 8.370 nan 0.000 0.493 345 R N 2.140 122.575 120.500 -0.107 0.000 2.189 345 R HA -0.060 4.280 4.340 0.000 0.000 0.223 345 R C 2.000 178.117 176.300 -0.306 0.000 1.092 345 R CA 0.900 56.941 56.100 -0.098 0.000 0.989 345 R CB 0.278 30.607 30.300 0.049 0.000 0.876 345 R HN 0.354 nan 8.270 nan 0.000 0.457 346 R N 1.113 121.249 120.500 -0.606 0.000 2.051 346 R HA -0.000 4.340 4.340 0.000 0.000 0.225 346 R C 2.299 178.252 176.300 -0.579 0.000 1.155 346 R CA 1.007 56.440 56.100 -1.112 0.000 0.945 346 R CB -0.196 29.403 30.300 -1.168 0.000 0.840 346 R HN 0.049 nan 8.270 nan 0.000 0.432 347 M N 0.165 119.545 119.600 -0.366 0.000 2.471 347 M HA -0.237 4.243 4.480 0.000 0.000 0.260 347 M C 2.175 178.371 176.300 -0.173 0.000 1.065 347 M CA 2.417 57.586 55.300 -0.220 0.000 1.075 347 M CB -0.900 31.612 32.600 -0.145 0.000 1.258 347 M HN 0.544 nan 8.290 nan 0.000 0.457 348 G N -0.793 107.926 108.800 -0.136 0.000 2.606 348 G HA2 -0.274 3.686 3.960 0.000 0.000 0.221 348 G HA3 -0.274 3.686 3.960 0.000 0.000 0.221 348 G C 1.301 176.154 174.900 -0.078 0.000 1.152 348 G CA 1.455 46.506 45.100 -0.082 0.000 0.765 348 G HN 0.436 nan 8.290 nan 0.000 0.595 349 V N 0.544 120.392 119.914 -0.110 0.000 2.490 349 V HA -0.142 3.978 4.120 0.000 0.000 0.250 349 V C 2.680 178.741 176.094 -0.054 0.000 1.061 349 V CA 2.312 64.584 62.300 -0.048 0.000 1.064 349 V CB -0.324 31.514 31.823 0.025 0.000 0.670 349 V HN 0.540 nan 8.190 nan 0.000 0.461 350 E N -0.719 119.405 120.200 -0.127 0.000 2.021 350 E HA -0.201 4.149 4.350 0.000 0.000 0.189 350 E C 2.119 178.688 176.600 -0.052 0.000 0.980 350 E CA 1.247 57.596 56.400 -0.084 0.000 0.803 350 E CB -0.288 29.338 29.700 -0.122 0.000 0.766 350 E HN 0.411 nan 8.360 nan 0.000 0.449 351 M N 1.134 120.695 119.600 -0.064 0.000 2.103 351 M HA -0.245 4.235 4.480 0.000 0.000 0.255 351 M C 2.268 178.550 176.300 -0.031 0.000 1.074 351 M CA 1.802 57.078 55.300 -0.041 0.000 1.090 351 M CB -0.621 31.952 32.600 -0.045 0.000 1.325 351 M HN 0.004 nan 8.290 nan 0.000 0.403 352 T N 0.325 114.859 114.554 -0.034 0.000 2.746 352 T HA -0.092 4.258 4.350 0.000 0.000 0.267 352 T C 1.681 176.372 174.700 -0.015 0.000 1.039 352 T CA 1.652 63.733 62.100 -0.031 0.000 1.142 352 T CB -0.280 68.573 68.868 -0.027 0.000 0.866 352 T HN 0.427 nan 8.240 nan 0.000 0.444 353 L N 0.350 121.574 121.223 0.002 0.000 2.141 353 L HA -0.014 4.326 4.340 0.000 0.000 0.209 353 L C 2.351 179.235 176.870 0.022 0.000 1.094 353 L CA 0.777 55.627 54.840 0.018 0.000 0.763 353 L CB -0.475 41.599 42.059 0.024 0.000 0.908 353 L HN 0.296 nan 8.230 nan 0.000 0.437 354 L N -0.670 120.563 121.223 0.017 0.000 1.976 354 L HA -0.252 4.088 4.340 0.000 0.000 0.209 354 L C 2.792 179.698 176.870 0.059 0.000 1.071 354 L CA 1.309 56.170 54.840 0.035 0.000 0.746 354 L CB -0.600 41.475 42.059 0.026 0.000 0.890 354 L HN 0.195 nan 8.230 nan 0.000 0.432 355 R N 0.006 120.524 120.500 0.029 0.000 2.133 355 R HA -0.304 4.036 4.340 0.000 0.000 0.245 355 R C 2.309 178.647 176.300 0.063 0.000 1.137 355 R CA 2.064 58.169 56.100 0.009 0.000 0.947 355 R CB -0.489 29.730 30.300 -0.134 0.000 0.865 355 R HN 0.437 nan 8.270 nan 0.000 0.437 356 A N 0.517 123.355 122.820 0.030 0.000 1.892 356 A HA -0.217 4.103 4.320 0.000 0.000 0.218 356 A C 2.071 179.722 177.584 0.111 0.000 1.188 356 A CA 1.548 53.623 52.037 0.063 0.000 0.631 356 A CB -0.627 18.422 19.000 0.082 0.000 0.822 356 A HN 0.339 nan 8.150 nan 0.000 0.447 357 L N -0.820 120.457 121.223 0.090 0.000 2.093 357 L HA -0.030 4.310 4.340 0.000 0.000 0.208 357 L C 2.842 179.811 176.870 0.166 0.000 1.085 357 L CA 1.771 56.668 54.840 0.094 0.000 0.755 357 L CB -0.568 41.528 42.059 0.062 0.000 0.904 357 L HN 0.384 nan 8.230 nan 0.000 0.435 358 A N -1.786 121.156 122.820 0.204 0.000 1.968 358 A HA -0.103 4.217 4.320 0.000 0.000 0.217 358 A C 1.421 179.133 177.584 0.214 0.000 1.169 358 A CA 1.116 53.284 52.037 0.219 0.000 0.638 358 A CB -0.538 18.640 19.000 0.296 0.000 0.812 358 A HN 0.355 nan 8.150 nan 0.000 0.446 359 F N -0.236 119.740 119.950 0.043 0.000 2.750 359 F HA 0.252 4.779 4.527 0.000 0.000 0.297 359 F C 0.801 176.642 175.800 0.069 0.000 1.138 359 F CA -1.080 56.939 58.000 0.032 0.000 1.346 359 F CB -0.821 38.177 39.000 -0.003 0.000 0.965 359 F HN 0.344 nan 8.300 nan 0.000 0.514 360 H N 3.108 122.252 119.070 0.122 0.000 2.913 360 H HA 0.025 4.581 4.556 0.000 0.000 0.365 360 H C -1.414 173.932 175.328 0.030 0.000 1.155 360 H CA -1.060 55.040 56.048 0.086 0.000 1.417 360 H CB 1.209 31.044 29.762 0.121 0.000 1.386 360 H HN -0.056 nan 8.280 nan 0.000 0.614 361 P HA 0.131 nan 4.420 nan 0.000 0.274 361 P C 0.289 177.489 177.300 -0.167 0.000 1.352 361 P CA 0.146 63.221 63.100 -0.040 0.000 0.947 361 P CB 0.831 32.525 31.700 -0.011 0.000 1.437 362 R N -0.616 119.621 120.500 -0.438 0.000 2.412 362 R HA 0.422 4.762 4.340 0.000 0.000 0.212 362 R C 0.761 176.900 176.300 -0.268 0.000 0.878 362 R CA 0.533 56.439 56.100 -0.322 0.000 1.022 362 R CB 0.263 30.380 30.300 -0.305 0.000 1.265 362 R HN 0.237 nan 8.270 nan 0.000 0.620 363 M N 2.176 121.573 119.600 -0.339 0.000 2.297 363 M HA 0.281 4.761 4.480 0.000 0.000 0.241 363 M C -2.663 173.672 176.300 0.058 0.000 1.106 363 M CA -1.341 53.912 55.300 -0.079 0.000 0.809 363 M CB 2.912 35.511 32.600 -0.002 0.000 2.236 363 M HN -0.232 nan 8.290 nan 0.000 0.362 364 P HA 0.299 nan 4.420 nan 0.000 0.276 364 P C -0.551 176.783 177.300 0.057 0.000 1.261 364 P CA -0.464 62.684 63.100 0.080 0.000 0.800 364 P CB 1.096 32.796 31.700 -0.000 0.000 1.066 365 L N 2.033 123.292 121.223 0.060 0.000 2.455 365 L HA 0.182 4.522 4.340 0.000 0.000 0.272 365 L C -1.244 175.632 176.870 0.009 0.000 1.174 365 L CA -1.426 53.439 54.840 0.042 0.000 0.869 365 L CB -0.331 41.758 42.059 0.050 0.000 1.130 365 L HN 0.339 nan 8.230 nan 0.000 0.474 366 P HA 0.172 nan 4.420 nan 0.000 0.279 366 P C -0.886 176.411 177.300 -0.006 0.000 1.239 366 P CA -0.368 62.730 63.100 -0.003 0.000 0.789 366 P CB 1.766 33.468 31.700 0.003 0.000 0.933 367 E N 3.237 123.430 120.200 -0.013 0.000 2.279 367 E HA 0.304 4.654 4.350 0.000 0.000 0.252 367 E C -1.577 175.017 176.600 -0.009 0.000 0.894 367 E CA -1.785 54.608 56.400 -0.011 0.000 0.785 367 E CB 0.939 30.629 29.700 -0.017 0.000 1.237 367 E HN 0.471 nan 8.360 nan 0.000 0.418 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 368 P CB 0.000 31.699 31.700 -0.002 0.000 0.726