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 1wmw_1_B DATA FIRST_RESID 2 DATA SEQUENCE VPAPEAIRQA LQERLLARLD HPDPLYRDLL QDYPRRGGKM LRGLLTVYSA DATA SEQUENCE LAHGAPLEAG LEAATALELF QNWVLVHDDI EDGSEERRGR PALHRLHPMP DATA SEQUENCE LALNAGDAMH AEMWGLLAEG LARGLFPPEV LLEFHEVVRR TAYGQHLDLL DATA SEQUENCE WTLGGTFDLR PEDYFRMVAH KAAYYTAVAP LRLGALLAGK TPPAAYEEGG DATA SEQUENCE LRLGTAFQIV DDVLNLEGGX XXXXERAGDL YEGKRTLILL RFLEEAPPEE DATA SEQUENCE RARALALLAL PREAKPEAEV GWLLERLLAS RALAWAKAEA KRLQAEGLAL DATA SEQUENCE LEAAFQDLPG KEALDHLRGL LAAL 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.114 176.094 0.033 0.000 1.182 2 V CA 0.000 62.332 62.300 0.053 0.000 1.235 2 V CB 0.000 31.878 31.823 0.093 0.000 1.184 3 P HA 0.609 nan 4.420 nan 0.000 0.272 3 P C -0.273 177.023 177.300 -0.007 0.000 1.223 3 P CA -0.043 63.044 63.100 -0.021 0.000 0.784 3 P CB 0.687 32.343 31.700 -0.074 0.000 0.923 4 A N 3.971 126.798 122.820 0.012 0.000 2.332 4 A HA 0.330 4.650 4.320 0.001 0.000 0.258 4 A C -1.363 176.252 177.584 0.051 0.000 1.087 4 A CA -0.994 51.072 52.037 0.049 0.000 0.802 4 A CB -0.559 18.472 19.000 0.052 0.000 1.042 4 A HN 0.415 nan 8.150 nan 0.000 0.489 5 P HA -0.178 nan 4.420 nan 0.000 0.216 5 P C 0.925 178.245 177.300 0.033 0.000 1.150 5 P CA 1.757 64.922 63.100 0.108 0.000 0.843 5 P CB 0.149 31.945 31.700 0.160 0.000 0.787 6 E N -0.442 119.778 120.200 0.034 0.000 2.077 6 E HA -0.152 4.198 4.350 0.001 0.000 0.193 6 E C 2.143 178.742 176.600 -0.002 0.000 0.989 6 E CA 1.308 57.718 56.400 0.017 0.000 0.800 6 E CB -0.646 29.067 29.700 0.021 0.000 0.746 6 E HN 0.164 nan 8.360 nan 0.000 0.452 7 A N 0.987 123.802 122.820 -0.008 0.000 1.930 7 A HA -0.155 4.166 4.320 0.001 0.000 0.217 7 A C 2.183 179.741 177.584 -0.044 0.000 1.175 7 A CA 1.050 53.074 52.037 -0.021 0.000 0.627 7 A CB -0.530 18.457 19.000 -0.021 0.000 0.815 7 A HN 0.137 nan 8.150 nan 0.000 0.443 8 I N -1.171 119.355 120.570 -0.074 0.000 2.202 8 I HA -0.223 3.947 4.170 0.001 0.000 0.242 8 I C 2.694 178.768 176.117 -0.073 0.000 1.091 8 I CA 1.575 62.806 61.300 -0.114 0.000 1.368 8 I CB -0.323 37.540 38.000 -0.228 0.000 1.058 8 I HN 0.353 nan 8.210 nan 0.000 0.410 9 R N 0.860 121.331 120.500 -0.047 0.000 2.091 9 R HA -0.257 4.084 4.340 0.001 0.000 0.238 9 R C 2.371 178.661 176.300 -0.016 0.000 1.136 9 R CA 1.827 57.913 56.100 -0.024 0.000 0.959 9 R CB -0.256 30.040 30.300 -0.007 0.000 0.856 9 R HN 0.407 nan 8.270 nan 0.000 0.437 10 Q N -0.271 119.520 119.800 -0.015 0.000 2.050 10 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 10 Q C 1.923 177.917 176.000 -0.011 0.000 0.980 10 Q CA 1.828 57.626 55.803 -0.009 0.000 0.840 10 Q CB -0.156 28.577 28.738 -0.008 0.000 0.898 10 Q HN 0.471 nan 8.270 nan 0.000 0.424 11 A N 0.930 123.738 122.820 -0.020 0.000 1.877 11 A HA -0.161 4.160 4.320 0.001 0.000 0.216 11 A C 2.094 179.670 177.584 -0.013 0.000 1.186 11 A CA 1.310 53.335 52.037 -0.020 0.000 0.620 11 A CB -0.774 18.207 19.000 -0.032 0.000 0.822 11 A HN 0.454 nan 8.150 nan 0.000 0.443 12 L N -1.141 120.072 121.223 -0.016 0.000 2.046 12 L HA -0.239 4.102 4.340 0.001 0.000 0.208 12 L C 2.879 179.754 176.870 0.008 0.000 1.077 12 L CA 1.801 56.639 54.840 -0.003 0.000 0.747 12 L CB -0.582 41.472 42.059 -0.008 0.000 0.896 12 L HN 0.474 nan 8.230 nan 0.000 0.432 13 Q N 0.685 120.488 119.800 0.006 0.000 2.050 13 Q HA -0.215 4.125 4.340 0.001 0.000 0.202 13 Q C 1.988 177.996 176.000 0.014 0.000 0.980 13 Q CA 1.748 57.559 55.803 0.012 0.000 0.840 13 Q CB -0.029 28.715 28.738 0.010 0.000 0.898 13 Q HN 0.441 nan 8.270 nan 0.000 0.424 14 E N -0.490 119.715 120.200 0.008 0.000 2.077 14 E HA -0.186 4.164 4.350 0.001 0.000 0.193 14 E C 2.169 178.775 176.600 0.011 0.000 0.989 14 E CA 1.135 57.540 56.400 0.009 0.000 0.800 14 E CB -0.079 29.624 29.700 0.004 0.000 0.746 14 E HN 0.278 nan 8.360 nan 0.000 0.452 15 R N 0.239 120.745 120.500 0.010 0.000 2.092 15 R HA -0.111 4.230 4.340 0.001 0.000 0.231 15 R C 2.415 178.727 176.300 0.021 0.000 1.119 15 R CA 0.681 56.789 56.100 0.013 0.000 0.970 15 R CB -0.284 30.024 30.300 0.013 0.000 0.864 15 R HN 0.106 nan 8.270 nan 0.000 0.440 16 L N 1.052 122.290 121.223 0.025 0.000 2.017 16 L HA -0.133 4.207 4.340 0.001 0.000 0.208 16 L C 1.862 178.751 176.870 0.031 0.000 1.073 16 L CA 1.717 56.577 54.840 0.033 0.000 0.745 16 L CB -0.397 41.684 42.059 0.037 0.000 0.894 16 L HN 0.141 nan 8.230 nan 0.000 0.432 17 L N -0.695 120.544 121.223 0.027 0.000 2.083 17 L HA -0.160 4.181 4.340 0.001 0.000 0.209 17 L C 2.646 179.531 176.870 0.026 0.000 1.083 17 L CA 1.102 55.958 54.840 0.027 0.000 0.752 17 L CB -0.965 41.109 42.059 0.025 0.000 0.899 17 L HN 0.393 nan 8.230 nan 0.000 0.433 18 A N 0.177 123.010 122.820 0.022 0.000 1.930 18 A HA -0.230 4.090 4.320 0.001 0.000 0.217 18 A C 2.338 179.937 177.584 0.024 0.000 1.175 18 A CA 1.588 53.637 52.037 0.021 0.000 0.627 18 A CB -0.434 18.574 19.000 0.014 0.000 0.815 18 A HN 0.267 nan 8.150 nan 0.000 0.443 19 R N -0.219 120.297 120.500 0.026 0.000 2.189 19 R HA 0.090 4.430 4.340 0.001 0.000 0.223 19 R C 1.091 177.413 176.300 0.036 0.000 1.092 19 R CA 1.155 57.273 56.100 0.030 0.000 0.989 19 R CB -0.522 29.797 30.300 0.031 0.000 0.876 19 R HN 0.494 nan 8.270 nan 0.000 0.457 20 L N 0.007 121.249 121.223 0.031 0.000 2.769 20 L HA 0.242 4.582 4.340 0.001 0.000 0.240 20 L C 0.094 176.989 176.870 0.041 0.000 1.163 20 L CA -0.500 54.353 54.840 0.022 0.000 0.962 20 L CB 0.065 42.122 42.059 -0.003 0.000 1.258 20 L HN 0.080 nan 8.230 nan 0.000 0.513 21 D N 0.468 120.902 120.400 0.057 0.000 2.357 21 D HA 0.129 4.769 4.640 0.001 0.000 0.242 21 D C -0.550 175.838 176.300 0.146 0.000 1.153 21 D CA 0.545 54.592 54.000 0.077 0.000 0.918 21 D CB 0.704 41.532 40.800 0.048 0.000 1.181 21 D HN 0.000 nan 8.370 nan 0.000 0.435 22 H N 1.156 120.254 119.070 0.046 0.000 3.064 22 H HA 0.182 4.738 4.556 0.001 0.000 0.352 22 H C -2.129 173.244 175.328 0.076 0.000 1.260 22 H CA -1.066 55.032 56.048 0.084 0.000 1.160 22 H CB 2.402 32.258 29.762 0.157 0.000 1.879 22 H HN 0.203 nan 8.280 nan 0.000 0.544 23 P HA -0.080 nan 4.420 nan 0.000 0.223 23 P C 0.276 177.686 177.300 0.184 0.000 1.151 23 P CA 0.761 63.883 63.100 0.038 0.000 0.787 23 P CB 0.473 32.130 31.700 -0.072 0.000 0.788 24 D N 0.539 121.207 120.400 0.447 0.000 2.339 24 D HA 0.109 4.749 4.640 0.001 0.000 0.241 24 D C -1.711 174.724 176.300 0.225 0.000 1.183 24 D CA -2.311 51.861 54.000 0.287 0.000 0.859 24 D CB 1.468 42.413 40.800 0.242 0.000 1.067 24 D HN -0.052 nan 8.370 nan 0.000 0.484 25 P HA -0.078 nan 4.420 nan 0.000 0.217 25 P C 1.677 179.040 177.300 0.104 0.000 1.150 25 P CA 0.816 63.983 63.100 0.111 0.000 0.832 25 P CB 0.315 32.063 31.700 0.080 0.000 0.787 26 L N -2.777 118.508 121.223 0.104 0.000 2.056 26 L HA -0.178 4.163 4.340 0.001 0.000 0.207 26 L C 2.573 179.510 176.870 0.111 0.000 1.078 26 L CA 1.491 56.394 54.840 0.104 0.000 0.749 26 L CB -1.072 41.044 42.059 0.095 0.000 0.901 26 L HN -0.036 nan 8.230 nan 0.000 0.433 27 Y N 1.004 121.262 120.300 -0.071 0.000 2.220 27 Y HA -0.199 4.351 4.550 0.001 0.000 0.291 27 Y C 2.923 178.746 175.900 -0.129 0.000 1.129 27 Y CA 1.400 59.398 58.100 -0.170 0.000 1.161 27 Y CB -0.305 37.938 38.460 -0.361 0.000 0.997 27 Y HN 0.004 nan 8.280 nan 0.000 0.522 28 R N 0.293 120.809 120.500 0.026 0.000 2.096 28 R HA -0.200 4.140 4.340 0.001 0.000 0.240 28 R C 1.631 177.911 176.300 -0.032 0.000 1.139 28 R CA 2.266 58.370 56.100 0.006 0.000 0.952 28 R CB -0.507 29.857 30.300 0.107 0.000 0.854 28 R HN 0.299 nan 8.270 nan 0.000 0.436 29 D N 0.736 121.143 120.400 0.012 0.000 2.123 29 D HA -0.178 4.463 4.640 0.001 0.000 0.196 29 D C 1.861 178.159 176.300 -0.003 0.000 0.992 29 D CA 0.985 55.004 54.000 0.031 0.000 0.833 29 D CB -0.270 40.576 40.800 0.077 0.000 0.954 29 D HN 0.207 nan 8.370 nan 0.000 0.455 30 L N 0.487 121.656 121.223 -0.090 0.000 2.046 30 L HA -0.088 4.252 4.340 0.001 0.000 0.208 30 L C 2.112 178.843 176.870 -0.232 0.000 1.077 30 L CA 1.406 56.107 54.840 -0.232 0.000 0.747 30 L CB -0.467 41.373 42.059 -0.364 0.000 0.896 30 L HN 0.015 nan 8.230 nan 0.000 0.432 31 L N -1.130 119.921 121.223 -0.287 0.000 2.093 31 L HA -0.171 4.170 4.340 0.001 0.000 0.208 31 L C 2.431 179.237 176.870 -0.107 0.000 1.085 31 L CA 1.165 55.852 54.840 -0.255 0.000 0.755 31 L CB -0.590 41.264 42.059 -0.341 0.000 0.904 31 L HN 0.379 nan 8.230 nan 0.000 0.435 32 Q N -0.629 119.137 119.800 -0.057 0.000 2.451 32 Q HA -0.140 4.200 4.340 0.001 0.000 0.206 32 Q C 1.482 177.517 176.000 0.058 0.000 0.947 32 Q CA 0.265 56.074 55.803 0.009 0.000 0.937 32 Q CB 0.033 28.782 28.738 0.017 0.000 1.025 32 Q HN 0.408 nan 8.270 nan 0.000 0.511 33 D N 0.540 120.984 120.400 0.072 0.000 2.108 33 D HA -0.223 4.417 4.640 0.001 0.000 0.190 33 D C 1.355 177.812 176.300 0.262 0.000 0.995 33 D CA 1.526 55.622 54.000 0.160 0.000 0.834 33 D CB 0.045 40.959 40.800 0.190 0.000 0.967 33 D HN 0.204 nan 8.370 nan 0.000 0.446 34 Y N 0.421 120.733 120.300 0.021 0.000 2.181 34 Y HA -0.046 4.504 4.550 0.000 0.000 0.288 34 Y C -0.535 175.372 175.900 0.013 0.000 1.146 34 Y CA 0.650 58.762 58.100 0.020 0.000 1.164 34 Y CB -1.737 36.732 38.460 0.015 0.000 0.982 34 Y HN 0.231 nan 8.280 nan 0.000 0.515 35 P HA -0.159 nan 4.420 nan 0.000 0.215 35 P C 1.311 178.646 177.300 0.059 0.000 1.153 35 P CA 2.083 65.235 63.100 0.086 0.000 0.853 35 P CB -0.048 31.695 31.700 0.071 0.000 0.788 36 R N -0.750 119.789 120.500 0.065 0.000 2.328 36 R HA 0.013 4.353 4.340 0.001 0.000 0.207 36 R C 2.007 178.325 176.300 0.030 0.000 1.056 36 R CA 0.572 56.699 56.100 0.046 0.000 1.016 36 R CB -0.258 30.072 30.300 0.051 0.000 0.872 36 R HN 0.232 nan 8.270 nan 0.000 0.471 37 R N 0.231 120.743 120.500 0.021 0.000 2.307 37 R HA 0.070 4.410 4.340 0.001 0.000 0.199 37 R C 0.873 177.160 176.300 -0.023 0.000 1.000 37 R CA 0.490 56.579 56.100 -0.018 0.000 1.023 37 R CB 0.219 30.470 30.300 -0.083 0.000 0.908 37 R HN 0.276 nan 8.270 nan 0.000 0.473 38 G N -0.162 108.634 108.800 -0.007 0.000 2.725 38 G HA2 0.064 4.025 3.960 0.001 0.000 0.220 38 G HA3 0.064 4.025 3.960 0.001 0.000 0.220 38 G C -0.162 174.732 174.900 -0.010 0.000 1.357 38 G CA -0.752 44.345 45.100 -0.004 0.000 0.866 38 G HN 0.621 nan 8.290 nan 0.000 0.548 39 G N -2.174 106.624 108.800 -0.003 0.000 2.350 39 G HA2 0.573 4.533 3.960 0.001 0.000 0.305 39 G HA3 0.573 4.533 3.960 0.001 0.000 0.305 39 G C 0.003 174.907 174.900 0.006 0.000 1.479 39 G CA 0.427 45.526 45.100 -0.001 0.000 0.949 39 G HN 1.104 nan 8.290 nan 0.000 0.651 40 K N 0.159 120.565 120.400 0.010 0.000 2.288 40 K HA 0.255 4.575 4.320 0.001 0.000 0.201 40 K C 1.647 178.252 176.600 0.009 0.000 1.048 40 K CA 0.905 57.200 56.287 0.012 0.000 0.956 40 K CB -0.264 32.246 32.500 0.017 0.000 0.746 40 K HN 0.631 nan 8.250 nan 0.000 0.461 41 M N 0.347 119.951 119.600 0.007 0.000 2.249 41 M HA -0.259 4.222 4.480 0.001 0.000 0.198 41 M C 0.084 176.380 176.300 -0.008 0.000 0.394 41 M CA 0.233 55.535 55.300 0.004 0.000 0.427 41 M CB -1.814 30.788 32.600 0.004 0.000 1.307 41 M HN 0.101 nan 8.290 nan 0.000 0.924 42 L N -0.793 120.419 121.223 -0.019 0.000 2.042 42 L HA -0.210 4.130 4.340 0.001 0.000 0.210 42 L C 2.501 179.332 176.870 -0.065 0.000 1.076 42 L CA 1.931 56.746 54.840 -0.042 0.000 0.749 42 L CB -0.464 41.550 42.059 -0.076 0.000 0.893 42 L HN 0.525 nan 8.230 nan 0.000 0.432 43 R N -0.113 120.342 120.500 -0.076 0.000 2.092 43 R HA -0.076 4.264 4.340 0.001 0.000 0.231 43 R C 2.423 178.697 176.300 -0.044 0.000 1.119 43 R CA 1.119 57.168 56.100 -0.085 0.000 0.970 43 R CB -0.625 29.636 30.300 -0.065 0.000 0.864 43 R HN 0.419 nan 8.270 nan 0.000 0.440 44 G N 1.091 109.881 108.800 -0.017 0.000 2.402 44 G HA2 -0.209 3.751 3.960 0.001 0.000 0.216 44 G HA3 -0.209 3.751 3.960 0.001 0.000 0.216 44 G C 1.431 176.296 174.900 -0.059 0.000 1.162 44 G CA 0.329 45.419 45.100 -0.018 0.000 0.777 44 G HN 0.106 nan 8.290 nan 0.000 0.539 45 L N -0.116 121.073 121.223 -0.056 0.000 2.046 45 L HA -0.022 4.318 4.340 0.001 0.000 0.208 45 L C 2.939 179.796 176.870 -0.022 0.000 1.077 45 L CA 0.631 55.424 54.840 -0.078 0.000 0.747 45 L CB -0.342 41.732 42.059 0.026 0.000 0.896 45 L HN 0.200 nan 8.230 nan 0.000 0.432 46 L N -0.945 120.281 121.223 0.005 0.000 2.042 46 L HA -0.228 4.112 4.340 0.001 0.000 0.210 46 L C 2.585 179.446 176.870 -0.015 0.000 1.076 46 L CA 1.590 56.438 54.840 0.014 0.000 0.749 46 L CB -0.828 41.196 42.059 -0.059 0.000 0.893 46 L HN 0.275 nan 8.230 nan 0.000 0.432 47 T N -0.732 113.792 114.554 -0.051 0.000 2.746 47 T HA -0.142 4.208 4.350 0.001 0.000 0.267 47 T C 1.979 176.650 174.700 -0.048 0.000 1.039 47 T CA 1.350 63.419 62.100 -0.052 0.000 1.142 47 T CB -0.181 68.661 68.868 -0.043 0.000 0.866 47 T HN 0.068 nan 8.240 nan 0.000 0.444 48 V N 0.126 119.975 119.914 -0.109 0.000 2.307 48 V HA -0.154 3.966 4.120 0.001 0.000 0.245 48 V C 2.035 178.038 176.094 -0.153 0.000 1.045 48 V CA 1.523 63.719 62.300 -0.173 0.000 1.024 48 V CB -0.831 30.798 31.823 -0.324 0.000 0.651 48 V HN 0.562 nan 8.190 nan 0.000 0.449 49 Y N -0.037 120.233 120.300 -0.050 0.000 2.293 49 Y HA -0.213 4.337 4.550 0.000 0.000 0.291 49 Y C 2.938 178.810 175.900 -0.046 0.000 1.137 49 Y CA 1.334 59.399 58.100 -0.059 0.000 1.202 49 Y CB -0.183 38.241 38.460 -0.059 0.000 0.990 49 Y HN 0.243 nan 8.280 nan 0.000 0.537 50 S N -0.011 115.750 115.700 0.103 0.000 2.368 50 S HA -0.204 4.267 4.470 0.001 0.000 0.224 50 S C 2.286 177.012 174.600 0.211 0.000 1.029 50 S CA 1.030 59.293 58.200 0.105 0.000 0.988 50 S CB -0.486 62.739 63.200 0.043 0.000 0.838 50 S HN 0.446 nan 8.310 nan 0.000 0.462 51 A N 1.699 124.581 122.820 0.103 0.000 1.883 51 A HA -0.002 4.319 4.320 0.001 0.000 0.217 51 A C 2.236 179.894 177.584 0.123 0.000 1.186 51 A CA 1.640 53.736 52.037 0.099 0.000 0.624 51 A CB -0.953 18.077 19.000 0.050 0.000 0.822 51 A HN 0.582 nan 8.150 nan 0.000 0.444 52 L N -0.873 120.403 121.223 0.087 0.000 2.046 52 L HA -0.195 4.145 4.340 0.001 0.000 0.208 52 L C 3.086 179.997 176.870 0.068 0.000 1.077 52 L CA 1.020 55.906 54.840 0.077 0.000 0.747 52 L CB -0.599 41.509 42.059 0.081 0.000 0.896 52 L HN 0.452 nan 8.230 nan 0.000 0.432 53 A N -0.512 122.338 122.820 0.049 0.000 1.972 53 A HA -0.238 4.082 4.320 0.001 0.000 0.219 53 A C 1.816 179.333 177.584 -0.112 0.000 1.169 53 A CA 1.644 53.637 52.037 -0.074 0.000 0.635 53 A CB -0.788 18.088 19.000 -0.206 0.000 0.810 53 A HN 0.482 nan 8.150 nan 0.000 0.446 54 H N -1.667 117.407 119.070 0.007 0.000 2.547 54 H HA 0.337 4.893 4.556 0.000 0.000 0.266 54 H C 1.542 176.891 175.328 0.035 0.000 0.988 54 H CA 0.726 56.795 56.048 0.035 0.000 1.147 54 H CB 0.225 30.023 29.762 0.061 0.000 1.365 54 H HN 0.630 nan 8.280 nan 0.000 0.589 55 G N -0.324 108.547 108.800 0.119 0.000 2.141 55 G HA2 -0.234 3.727 3.960 0.001 0.000 0.242 55 G HA3 -0.234 3.727 3.960 0.001 0.000 0.242 55 G C 0.444 175.393 174.900 0.082 0.000 0.982 55 G CA 0.057 45.206 45.100 0.082 0.000 0.662 55 G HN 0.667 nan 8.290 nan 0.000 0.527 56 A N 0.258 123.137 122.820 0.099 0.000 2.351 56 A HA 0.744 5.065 4.320 0.001 0.000 0.257 56 A C -1.507 176.114 177.584 0.060 0.000 1.087 56 A CA -0.901 51.185 52.037 0.081 0.000 0.798 56 A CB 0.266 19.319 19.000 0.089 0.000 1.033 56 A HN 0.172 nan 8.150 nan 0.000 0.488 57 P HA 0.068 nan 4.420 nan 0.000 0.268 57 P C 0.936 178.253 177.300 0.028 0.000 1.204 57 P CA -0.383 62.736 63.100 0.032 0.000 0.768 57 P CB 0.453 32.167 31.700 0.022 0.000 0.842 58 L N 3.760 124.990 121.223 0.012 0.000 2.043 58 L HA -0.228 4.112 4.340 0.001 0.000 0.212 58 L C 2.055 178.924 176.870 -0.002 0.000 1.075 58 L CA 2.124 56.962 54.840 -0.003 0.000 0.752 58 L CB -1.154 40.896 42.059 -0.016 0.000 0.891 58 L HN 0.347 nan 8.230 nan 0.000 0.432 59 E N -0.149 120.048 120.200 -0.005 0.000 2.118 59 E HA -0.198 4.152 4.350 0.001 0.000 0.195 59 E C 2.067 178.672 176.600 0.008 0.000 0.992 59 E CA 1.624 58.015 56.400 -0.015 0.000 0.804 59 E CB -0.415 29.262 29.700 -0.038 0.000 0.741 59 E HN 0.590 nan 8.360 nan 0.000 0.458 60 A N 0.044 122.887 122.820 0.038 0.000 1.898 60 A HA 0.000 4.321 4.320 0.001 0.000 0.216 60 A C 2.478 180.199 177.584 0.227 0.000 1.181 60 A CA 1.683 53.811 52.037 0.152 0.000 0.620 60 A CB -1.268 17.834 19.000 0.169 0.000 0.819 60 A HN 0.414 nan 8.150 nan 0.000 0.442 61 G N -0.144 108.723 108.800 0.113 0.000 2.418 61 G HA2 -0.158 3.803 3.960 0.001 0.000 0.217 61 G HA3 -0.158 3.803 3.960 0.001 0.000 0.217 61 G C 1.562 176.496 174.900 0.057 0.000 1.158 61 G CA 1.033 46.175 45.100 0.071 0.000 0.771 61 G HN 0.422 nan 8.290 nan 0.000 0.545 62 L N 0.127 121.371 121.223 0.034 0.000 2.046 62 L HA -0.044 4.296 4.340 0.001 0.000 0.208 62 L C 2.974 179.886 176.870 0.069 0.000 1.077 62 L CA 1.090 55.941 54.840 0.018 0.000 0.747 62 L CB -0.323 41.731 42.059 -0.008 0.000 0.896 62 L HN 0.208 nan 8.230 nan 0.000 0.432 63 E N 0.187 120.462 120.200 0.125 0.000 2.072 63 E HA -0.174 4.177 4.350 0.001 0.000 0.191 63 E C 2.295 179.063 176.600 0.280 0.000 0.985 63 E CA 1.275 57.794 56.400 0.197 0.000 0.801 63 E CB -0.097 29.718 29.700 0.191 0.000 0.750 63 E HN 0.473 nan 8.360 nan 0.000 0.452 64 A N 1.670 124.678 122.820 0.314 0.000 1.902 64 A HA -0.058 4.262 4.320 0.001 0.000 0.217 64 A C 2.423 180.106 177.584 0.165 0.000 1.181 64 A CA 1.783 53.904 52.037 0.140 0.000 0.623 64 A CB -0.478 18.564 19.000 0.070 0.000 0.818 64 A HN 0.262 nan 8.150 nan 0.000 0.443 65 A N -1.044 121.842 122.820 0.111 0.000 1.930 65 A HA -0.054 4.267 4.320 0.001 0.000 0.217 65 A C 2.268 179.905 177.584 0.088 0.000 1.175 65 A CA 2.177 54.260 52.037 0.078 0.000 0.627 65 A CB -1.154 17.855 19.000 0.014 0.000 0.815 65 A HN 0.421 nan 8.150 nan 0.000 0.443 66 T N 0.309 114.909 114.554 0.077 0.000 2.746 66 T HA -0.022 4.328 4.350 0.001 0.000 0.267 66 T C 2.219 176.962 174.700 0.071 0.000 1.039 66 T CA 1.513 63.651 62.100 0.064 0.000 1.142 66 T CB -0.405 68.493 68.868 0.051 0.000 0.866 66 T HN 0.590 nan 8.240 nan 0.000 0.444 67 A N 1.127 123.975 122.820 0.046 0.000 1.933 67 A HA 0.001 4.321 4.320 0.001 0.000 0.218 67 A C 2.208 179.899 177.584 0.178 0.000 1.175 67 A CA 1.160 53.166 52.037 -0.050 0.000 0.628 67 A CB -0.748 17.962 19.000 -0.483 0.000 0.814 67 A HN 0.399 nan 8.150 nan 0.000 0.444 68 L N -0.431 120.991 121.223 0.333 0.000 2.141 68 L HA -0.071 4.269 4.340 0.001 0.000 0.209 68 L C 2.064 179.092 176.870 0.264 0.000 1.094 68 L CA 1.824 56.877 54.840 0.355 0.000 0.763 68 L CB -0.412 41.763 42.059 0.194 0.000 0.908 68 L HN 0.321 nan 8.230 nan 0.000 0.437 69 E N -0.633 119.667 120.200 0.167 0.000 2.216 69 E HA -0.127 4.223 4.350 0.001 0.000 0.192 69 E C 2.292 178.953 176.600 0.102 0.000 0.988 69 E CA 0.701 57.170 56.400 0.116 0.000 0.834 69 E CB -0.152 29.593 29.700 0.075 0.000 0.772 69 E HN 0.490 nan 8.360 nan 0.000 0.479 70 L N 0.089 121.390 121.223 0.130 0.000 2.056 70 L HA -0.156 4.184 4.340 0.001 0.000 0.207 70 L C 2.388 179.358 176.870 0.168 0.000 1.078 70 L CA 0.875 55.804 54.840 0.150 0.000 0.749 70 L CB -0.269 41.882 42.059 0.154 0.000 0.901 70 L HN 0.081 nan 8.230 nan 0.000 0.433 71 F N 1.026 120.969 119.950 -0.012 0.000 2.069 71 F HA -0.347 4.180 4.527 0.001 0.000 0.298 71 F C 2.645 178.056 175.800 -0.648 0.000 1.113 71 F CA 2.216 59.993 58.000 -0.372 0.000 1.214 71 F CB -0.441 38.448 39.000 -0.185 0.000 0.978 71 F HN 0.104 nan 8.300 nan 0.000 0.474 72 Q N 0.935 120.531 119.800 -0.341 0.000 2.077 72 Q HA -0.247 4.093 4.340 0.001 0.000 0.206 72 Q C 1.972 177.760 176.000 -0.354 0.000 0.989 72 Q CA 2.408 57.991 55.803 -0.365 0.000 0.853 72 Q CB -0.723 28.018 28.738 0.005 0.000 0.907 72 Q HN 0.504 nan 8.270 nan 0.000 0.418 73 N N -0.297 118.302 118.700 -0.168 0.000 2.142 73 N HA -0.128 4.612 4.740 0.001 0.000 0.186 73 N C 1.639 177.121 175.510 -0.047 0.000 1.023 73 N CA 1.633 54.670 53.050 -0.021 0.000 0.852 73 N CB -0.501 38.033 38.487 0.077 0.000 0.998 73 N HN 0.668 nan 8.380 nan 0.000 0.424 74 W N 1.202 122.372 121.300 -0.217 0.000 2.467 74 W HA 0.036 4.696 4.660 0.000 0.000 0.275 74 W C 1.316 177.589 176.519 -0.410 0.000 1.239 74 W CA 0.172 57.322 57.345 -0.325 0.000 1.266 74 W CB -0.906 28.363 29.460 -0.319 0.000 1.112 74 W HN -0.239 nan 8.180 nan 0.000 0.576 75 V N 2.634 121.972 119.914 -0.961 0.000 2.427 75 V HA -0.309 3.812 4.120 0.001 0.000 0.248 75 V C 2.721 178.609 176.094 -0.344 0.000 1.051 75 V CA 1.762 63.504 62.300 -0.931 0.000 1.048 75 V CB -0.817 30.122 31.823 -1.473 0.000 0.666 75 V HN 0.161 nan 8.190 nan 0.000 0.456 76 L N -0.696 120.401 121.223 -0.209 0.000 2.056 76 L HA -0.133 4.207 4.340 0.001 0.000 0.207 76 L C 2.485 179.460 176.870 0.175 0.000 1.078 76 L CA 1.023 55.889 54.840 0.043 0.000 0.749 76 L CB -0.679 41.473 42.059 0.156 0.000 0.901 76 L HN 0.200 nan 8.230 nan 0.000 0.433 77 V N -0.459 119.497 119.914 0.070 0.000 2.255 77 V HA -0.349 3.771 4.120 0.001 0.000 0.247 77 V C 2.310 178.472 176.094 0.113 0.000 1.051 77 V CA 2.004 64.263 62.300 -0.068 0.000 1.018 77 V CB -0.781 30.898 31.823 -0.240 0.000 0.641 77 V HN 0.498 nan 8.190 nan 0.000 0.445 78 H N -0.937 118.140 119.070 0.013 0.000 2.428 78 H HA -0.132 4.424 4.556 0.001 0.000 0.296 78 H C 2.195 177.503 175.328 -0.033 0.000 1.062 78 H CA 0.986 57.040 56.048 0.009 0.000 1.350 78 H CB 0.147 29.976 29.762 0.112 0.000 1.403 78 H HN 0.417 nan 8.280 nan 0.000 0.533 79 D N 0.543 120.997 120.400 0.090 0.000 2.117 79 D HA -0.134 4.506 4.640 0.001 0.000 0.197 79 D C 1.706 178.020 176.300 0.023 0.000 0.987 79 D CA 1.020 55.036 54.000 0.027 0.000 0.829 79 D CB -0.325 40.476 40.800 0.002 0.000 0.961 79 D HN 0.331 nan 8.370 nan 0.000 0.460 80 D N 0.017 120.456 120.400 0.064 0.000 2.144 80 D HA -0.093 4.548 4.640 0.001 0.000 0.199 80 D C 2.266 178.462 176.300 -0.174 0.000 0.984 80 D CA 0.435 54.486 54.000 0.085 0.000 0.834 80 D CB -0.204 40.766 40.800 0.283 0.000 0.955 80 D HN 0.290 nan 8.370 nan 0.000 0.465 81 I N 0.901 121.236 120.570 -0.391 0.000 2.202 81 I HA -0.227 3.944 4.170 0.001 0.000 0.242 81 I C 2.220 178.178 176.117 -0.265 0.000 1.091 81 I CA 1.104 62.018 61.300 -0.643 0.000 1.368 81 I CB -0.224 37.541 38.000 -0.391 0.000 1.058 81 I HN -0.040 nan 8.210 nan 0.000 0.410 82 E N 0.820 120.937 120.200 -0.139 0.000 2.110 82 E HA -0.262 4.088 4.350 0.001 0.000 0.193 82 E C 1.203 177.776 176.600 -0.044 0.000 0.988 82 E CA 1.625 57.980 56.400 -0.075 0.000 0.804 82 E CB -0.143 29.529 29.700 -0.047 0.000 0.745 82 E HN 0.640 nan 8.360 nan 0.000 0.458 83 D N -1.434 118.952 120.400 -0.024 0.000 2.369 83 D HA 0.088 4.729 4.640 0.001 0.000 0.211 83 D C 1.011 177.337 176.300 0.043 0.000 1.077 83 D CA 0.479 54.485 54.000 0.010 0.000 0.842 83 D CB 0.405 41.217 40.800 0.021 0.000 0.947 83 D HN 0.150 nan 8.370 nan 0.000 0.509 84 G N 0.093 108.923 108.800 0.050 0.000 2.176 84 G HA2 -0.288 3.672 3.960 0.001 0.000 0.252 84 G HA3 -0.288 3.672 3.960 0.001 0.000 0.252 84 G C 0.154 175.162 174.900 0.179 0.000 1.024 84 G CA 0.251 45.430 45.100 0.132 0.000 0.755 84 G HN 0.377 nan 8.290 nan 0.000 0.507 85 S N 0.509 116.320 115.700 0.186 0.000 2.525 85 S HA 0.258 4.729 4.470 0.001 0.000 0.285 85 S C 1.410 176.126 174.600 0.194 0.000 1.283 85 S CA -0.105 58.197 58.200 0.171 0.000 1.072 85 S CB 1.052 64.345 63.200 0.155 0.000 0.867 85 S HN 0.402 nan 8.310 nan 0.000 0.492 86 E N 2.458 122.717 120.200 0.100 0.000 2.158 86 E HA 0.019 4.369 4.350 0.001 0.000 0.191 86 E C 0.147 176.760 176.600 0.022 0.000 0.982 86 E CA 0.895 57.318 56.400 0.037 0.000 0.823 86 E CB 0.251 29.964 29.700 0.023 0.000 0.766 86 E HN 0.712 nan 8.360 nan 0.000 0.468 87 E N 0.084 120.308 120.200 0.041 0.000 2.392 87 E HA 0.558 4.908 4.350 0.001 0.000 0.269 87 E C -0.684 175.928 176.600 0.020 0.000 0.924 87 E CA -0.922 55.493 56.400 0.024 0.000 0.784 87 E CB 2.157 31.858 29.700 0.002 0.000 1.292 87 E HN -0.217 nan 8.360 nan 0.000 0.447 88 R N 1.196 121.682 120.500 -0.023 0.000 2.531 88 R HA 0.286 4.627 4.340 0.001 0.000 0.293 88 R C -1.183 175.038 176.300 -0.132 0.000 1.124 88 R CA -0.510 55.522 56.100 -0.114 0.000 0.945 88 R CB 0.394 30.530 30.300 -0.273 0.000 1.195 88 R HN 0.603 nan 8.270 nan 0.000 0.433 89 R N 3.548 123.987 120.500 -0.102 0.000 3.264 89 R HA -0.233 4.108 4.340 0.001 0.000 0.251 89 R C 0.603 176.871 176.300 -0.053 0.000 0.971 89 R CA 1.093 57.146 56.100 -0.079 0.000 0.658 89 R CB -1.736 28.501 30.300 -0.105 0.000 1.095 89 R HN 1.229 nan 8.270 nan 0.000 0.443 90 G N -1.098 107.679 108.800 -0.038 0.000 2.225 90 G HA2 -0.338 3.622 3.960 0.001 0.000 0.254 90 G HA3 -0.338 3.622 3.960 0.001 0.000 0.254 90 G C 0.110 174.999 174.900 -0.020 0.000 0.988 90 G CA 0.563 45.647 45.100 -0.025 0.000 0.625 90 G HN 0.329 nan 8.290 nan 0.000 0.527 91 R N 0.157 120.645 120.500 -0.020 0.000 2.854 91 R HA 0.538 4.879 4.340 0.001 0.000 0.271 91 R C -2.859 173.444 176.300 0.005 0.000 0.996 91 R CA -2.194 53.902 56.100 -0.006 0.000 0.961 91 R CB 0.864 31.167 30.300 0.005 0.000 1.182 91 R HN 0.004 nan 8.270 nan 0.000 0.479 92 P HA -0.017 nan 4.420 nan 0.000 0.266 92 P C -0.426 176.908 177.300 0.056 0.000 1.195 92 P CA 0.331 63.432 63.100 0.002 0.000 0.768 92 P CB 0.434 32.119 31.700 -0.027 0.000 0.838 93 A N 2.889 125.744 122.820 0.059 0.000 2.475 93 A HA -0.032 4.288 4.320 0.001 0.000 0.239 93 A C 1.443 179.161 177.584 0.223 0.000 1.087 93 A CA -0.093 52.075 52.037 0.218 0.000 0.779 93 A CB -0.491 18.651 19.000 0.236 0.000 1.036 93 A HN 0.637 nan 8.150 nan 0.000 0.506 94 L N 0.777 122.228 121.223 0.380 0.000 2.079 94 L HA -0.185 4.156 4.340 0.001 0.000 0.210 94 L C 2.368 179.376 176.870 0.231 0.000 1.081 94 L CA 2.626 57.603 54.840 0.229 0.000 0.752 94 L CB -0.614 41.370 42.059 -0.125 0.000 0.896 94 L HN 0.909 nan 8.230 nan 0.000 0.433 95 H N -2.449 116.687 119.070 0.110 0.000 2.539 95 H HA 0.167 4.724 4.556 0.001 0.000 0.267 95 H C 1.441 176.822 175.328 0.088 0.000 0.982 95 H CA 0.073 56.178 56.048 0.095 0.000 1.146 95 H CB 0.031 29.834 29.762 0.068 0.000 1.382 95 H HN 0.301 nan 8.280 nan 0.000 0.577 96 R N 0.044 120.363 120.500 -0.302 0.000 2.140 96 R HA 0.067 4.407 4.340 0.001 0.000 0.200 96 R C 2.261 178.500 176.300 -0.101 0.000 1.069 96 R CA 0.264 56.222 56.100 -0.238 0.000 1.088 96 R CB -0.631 29.514 30.300 -0.258 0.000 1.012 96 R HN 0.272 nan 8.270 nan 0.000 0.500 97 L N 1.075 122.254 121.223 -0.073 0.000 2.083 97 L HA -0.047 4.293 4.340 0.001 0.000 0.209 97 L C 0.530 177.234 176.870 -0.277 0.000 1.083 97 L CA 1.768 56.516 54.840 -0.153 0.000 0.752 97 L CB -0.273 41.705 42.059 -0.135 0.000 0.899 97 L HN 0.128 nan 8.230 nan 0.000 0.433 98 H N -1.258 117.819 119.070 0.012 0.000 2.670 98 H HA 0.403 4.960 4.556 0.001 0.000 0.361 98 H C -2.280 173.067 175.328 0.031 0.000 1.169 98 H CA -2.406 53.656 56.048 0.024 0.000 1.198 98 H CB 0.797 30.578 29.762 0.031 0.000 1.700 98 H HN -0.125 nan 8.280 nan 0.000 0.542 99 P HA -0.100 nan 4.420 nan 0.000 0.264 99 P C 1.343 178.723 177.300 0.133 0.000 1.183 99 P CA 0.135 63.303 63.100 0.113 0.000 0.763 99 P CB 0.650 32.403 31.700 0.088 0.000 0.807 100 M N 6.245 125.925 119.600 0.132 0.000 2.106 100 M HA -0.128 4.352 4.480 0.001 0.000 0.259 100 M C -1.170 175.182 176.300 0.088 0.000 1.068 100 M CA 2.582 57.973 55.300 0.151 0.000 1.100 100 M CB -2.162 30.527 32.600 0.148 0.000 1.351 100 M HN 0.199 nan 8.290 nan 0.000 0.404 101 P HA -0.112 nan 4.420 nan 0.000 0.216 101 P C 1.781 179.107 177.300 0.042 0.000 1.150 101 P CA 1.238 64.362 63.100 0.039 0.000 0.837 101 P CB -0.179 31.540 31.700 0.032 0.000 0.786 102 L N -1.394 119.861 121.223 0.053 0.000 2.093 102 L HA -0.116 4.224 4.340 0.001 0.000 0.208 102 L C 2.420 179.293 176.870 0.004 0.000 1.085 102 L CA 1.379 56.239 54.840 0.033 0.000 0.755 102 L CB -1.008 41.072 42.059 0.035 0.000 0.904 102 L HN -0.046 nan 8.230 nan 0.000 0.435 103 A N -0.153 122.686 122.820 0.031 0.000 1.929 103 A HA -0.161 4.160 4.320 0.001 0.000 0.216 103 A C 2.281 179.903 177.584 0.063 0.000 1.176 103 A CA 1.121 53.167 52.037 0.015 0.000 0.628 103 A CB -0.580 18.479 19.000 0.098 0.000 0.816 103 A HN 0.358 nan 8.150 nan 0.000 0.444 104 L N -0.196 121.070 121.223 0.072 0.000 2.017 104 L HA -0.238 4.103 4.340 0.001 0.000 0.208 104 L C 2.412 179.391 176.870 0.181 0.000 1.073 104 L CA 2.241 57.131 54.840 0.083 0.000 0.745 104 L CB -0.353 41.680 42.059 -0.043 0.000 0.894 104 L HN 0.563 nan 8.230 nan 0.000 0.432 105 N N -0.224 118.529 118.700 0.088 0.000 2.166 105 N HA -0.176 4.564 4.740 0.001 0.000 0.186 105 N C 1.756 177.306 175.510 0.066 0.000 1.019 105 N CA 1.512 54.610 53.050 0.081 0.000 0.856 105 N CB -0.116 38.409 38.487 0.063 0.000 0.993 105 N HN 0.418 nan 8.380 nan 0.000 0.426 106 A N -0.183 122.646 122.820 0.016 0.000 1.908 106 A HA -0.039 4.282 4.320 0.001 0.000 0.218 106 A C 2.323 179.848 177.584 -0.098 0.000 1.181 106 A CA 1.881 53.863 52.037 -0.092 0.000 0.627 106 A CB -1.541 17.353 19.000 -0.177 0.000 0.818 106 A HN 0.460 nan 8.150 nan 0.000 0.445 107 G N -0.350 108.420 108.800 -0.050 0.000 2.440 107 G HA2 -0.252 3.708 3.960 0.001 0.000 0.218 107 G HA3 -0.252 3.708 3.960 0.001 0.000 0.218 107 G C 1.152 175.888 174.900 -0.273 0.000 1.154 107 G CA 1.237 46.199 45.100 -0.230 0.000 0.767 107 G HN 0.470 nan 8.290 nan 0.000 0.552 108 D N 0.952 121.309 120.400 -0.071 0.000 2.117 108 D HA -0.016 4.624 4.640 0.001 0.000 0.197 108 D C 2.816 179.047 176.300 -0.115 0.000 0.987 108 D CA 1.180 55.125 54.000 -0.091 0.000 0.829 108 D CB -0.428 40.381 40.800 0.015 0.000 0.961 108 D HN 0.306 nan 8.370 nan 0.000 0.460 109 A N 0.492 123.277 122.820 -0.058 0.000 1.933 109 A HA -0.147 4.173 4.320 0.001 0.000 0.218 109 A C 2.248 179.795 177.584 -0.062 0.000 1.175 109 A CA 1.267 53.288 52.037 -0.028 0.000 0.628 109 A CB -0.508 18.495 19.000 0.004 0.000 0.814 109 A HN 0.150 nan 8.150 nan 0.000 0.444 110 M N -1.896 117.644 119.600 -0.100 0.000 2.132 110 M HA -0.126 4.354 4.480 0.001 0.000 0.263 110 M C 2.162 178.433 176.300 -0.049 0.000 1.065 110 M CA 1.841 57.114 55.300 -0.045 0.000 1.122 110 M CB -0.558 32.047 32.600 0.008 0.000 1.365 110 M HN 0.698 nan 8.290 nan 0.000 0.411 111 H N -0.016 118.749 119.070 -0.507 0.000 2.353 111 H HA -0.108 4.449 4.556 0.000 0.000 0.300 111 H C 2.062 177.301 175.328 -0.148 0.000 1.090 111 H CA 1.149 56.736 56.048 -0.768 0.000 1.327 111 H CB 0.272 29.175 29.762 -1.432 0.000 1.383 111 H HN 0.390 nan 8.280 nan 0.000 0.508 112 A N 1.052 123.841 122.820 -0.051 0.000 1.902 112 A HA -0.166 4.154 4.320 0.001 0.000 0.217 112 A C 2.198 179.837 177.584 0.091 0.000 1.181 112 A CA 1.653 53.702 52.037 0.020 0.000 0.623 112 A CB -0.233 18.759 19.000 -0.014 0.000 0.818 112 A HN 0.460 nan 8.150 nan 0.000 0.443 113 E N -0.712 119.523 120.200 0.059 0.000 2.204 113 E HA -0.149 4.201 4.350 0.001 0.000 0.194 113 E C 1.906 178.537 176.600 0.050 0.000 0.989 113 E CA 0.938 57.375 56.400 0.061 0.000 0.824 113 E CB -0.437 29.292 29.700 0.048 0.000 0.756 113 E HN 0.771 nan 8.360 nan 0.000 0.477 114 M N -1.052 118.576 119.600 0.048 0.000 2.086 114 M HA -0.168 4.313 4.480 0.001 0.000 0.261 114 M C 1.679 177.854 176.300 -0.210 0.000 1.067 114 M CA 1.640 56.896 55.300 -0.073 0.000 1.116 114 M CB -0.204 32.397 32.600 0.002 0.000 1.348 114 M HN 0.097 nan 8.290 nan 0.000 0.407 115 W N -0.052 121.261 121.300 0.022 0.000 2.402 115 W HA 0.024 4.685 4.660 0.000 0.000 0.286 115 W C 2.372 178.881 176.519 -0.017 0.000 1.221 115 W CA 0.965 58.298 57.345 -0.019 0.000 1.257 115 W CB -0.812 28.628 29.460 -0.032 0.000 1.120 115 W HN 0.363 nan 8.180 nan 0.000 0.551 116 G N 0.573 109.480 108.800 0.179 0.000 2.418 116 G HA2 -0.278 3.683 3.960 0.001 0.000 0.217 116 G HA3 -0.278 3.683 3.960 0.001 0.000 0.217 116 G C 1.487 176.437 174.900 0.084 0.000 1.158 116 G CA 1.005 46.174 45.100 0.115 0.000 0.771 116 G HN 0.292 nan 8.290 nan 0.000 0.545 117 L N -0.019 121.234 121.223 0.050 0.000 2.012 117 L HA -0.007 4.334 4.340 0.001 0.000 0.210 117 L C 2.807 179.746 176.870 0.114 0.000 1.073 117 L CA 1.152 56.020 54.840 0.048 0.000 0.748 117 L CB -0.182 41.882 42.059 0.009 0.000 0.891 117 L HN 0.214 nan 8.230 nan 0.000 0.431 118 L N -0.205 121.054 121.223 0.061 0.000 2.046 118 L HA -0.179 4.161 4.340 0.001 0.000 0.208 118 L C 2.865 179.891 176.870 0.260 0.000 1.077 118 L CA 1.150 56.078 54.840 0.146 0.000 0.747 118 L CB -0.847 41.127 42.059 -0.141 0.000 0.896 118 L HN 0.357 nan 8.230 nan 0.000 0.432 119 A N -0.115 122.823 122.820 0.197 0.000 1.933 119 A HA -0.204 4.116 4.320 0.001 0.000 0.218 119 A C 2.173 179.822 177.584 0.108 0.000 1.175 119 A CA 1.595 53.729 52.037 0.161 0.000 0.628 119 A CB -0.383 18.698 19.000 0.135 0.000 0.814 119 A HN 0.455 nan 8.150 nan 0.000 0.444 120 E N -0.704 119.544 120.200 0.079 0.000 2.106 120 E HA -0.070 4.280 4.350 0.001 0.000 0.192 120 E C 2.132 178.713 176.600 -0.032 0.000 0.984 120 E CA 0.642 57.055 56.400 0.021 0.000 0.806 120 E CB -0.324 29.381 29.700 0.008 0.000 0.750 120 E HN 0.606 nan 8.360 nan 0.000 0.458 121 G N 1.594 110.364 108.800 -0.050 0.000 2.418 121 G HA2 -0.254 3.706 3.960 0.001 0.000 0.217 121 G HA3 -0.254 3.706 3.960 0.001 0.000 0.217 121 G C 1.587 176.371 174.900 -0.194 0.000 1.158 121 G CA 0.429 45.306 45.100 -0.372 0.000 0.771 121 G HN 0.175 nan 8.290 nan 0.000 0.545 122 L N 0.646 121.930 121.223 0.101 0.000 2.046 122 L HA 0.085 4.426 4.340 0.001 0.000 0.208 122 L C 3.163 180.058 176.870 0.042 0.000 1.077 122 L CA 1.737 56.654 54.840 0.128 0.000 0.747 122 L CB -0.260 41.908 42.059 0.182 0.000 0.896 122 L HN 0.248 nan 8.230 nan 0.000 0.432 123 A N -0.209 122.626 122.820 0.026 0.000 1.933 123 A HA -0.215 4.105 4.320 0.001 0.000 0.218 123 A C 2.310 179.884 177.584 -0.018 0.000 1.175 123 A CA 1.644 53.686 52.037 0.007 0.000 0.628 123 A CB -0.560 18.445 19.000 0.008 0.000 0.814 123 A HN 0.490 nan 8.150 nan 0.000 0.444 124 R N -1.658 118.812 120.500 -0.051 0.000 2.307 124 R HA 0.114 4.454 4.340 0.001 0.000 0.199 124 R C 1.325 177.586 176.300 -0.066 0.000 1.000 124 R CA 0.606 56.666 56.100 -0.067 0.000 1.023 124 R CB -0.137 30.100 30.300 -0.105 0.000 0.908 124 R HN 0.739 nan 8.270 nan 0.000 0.473 125 G N 0.668 109.436 108.800 -0.054 0.000 2.157 125 G HA2 -0.263 3.697 3.960 0.001 0.000 0.248 125 G HA3 -0.263 3.697 3.960 0.001 0.000 0.248 125 G C 0.541 175.408 174.900 -0.056 0.000 0.979 125 G CA 0.198 45.279 45.100 -0.032 0.000 0.650 125 G HN 0.307 nan 8.290 nan 0.000 0.529 126 L N -0.282 120.845 121.223 -0.159 0.000 2.109 126 L HA 0.510 4.850 4.340 0.001 0.000 0.207 126 L C 0.914 177.707 176.870 -0.128 0.000 1.086 126 L CA 1.369 56.055 54.840 -0.257 0.000 0.760 126 L CB -0.066 41.662 42.059 -0.551 0.000 0.910 126 L HN 0.294 nan 8.230 nan 0.000 0.437 127 F N 0.649 120.613 119.950 0.023 0.000 2.495 127 F HA 0.475 5.002 4.527 0.000 0.000 0.327 127 F C -1.960 173.864 175.800 0.041 0.000 1.103 127 F CA -2.512 55.509 58.000 0.035 0.000 0.949 127 F CB 1.266 40.290 39.000 0.040 0.000 1.142 127 F HN -0.129 nan 8.300 nan 0.000 0.457 128 P HA 0.229 nan 4.420 nan 0.000 0.278 128 P C -2.517 174.871 177.300 0.148 0.000 1.258 128 P CA -1.716 61.475 63.100 0.151 0.000 0.811 128 P CB 1.150 32.916 31.700 0.109 0.000 1.063 129 P HA -0.157 nan 4.420 nan 0.000 0.219 129 P C 1.218 178.582 177.300 0.108 0.000 1.146 129 P CA 1.459 64.625 63.100 0.111 0.000 0.808 129 P CB -0.006 31.742 31.700 0.080 0.000 0.779 130 E N -0.802 119.451 120.200 0.089 0.000 2.160 130 E HA -0.130 4.220 4.350 0.001 0.000 0.195 130 E C 1.937 178.589 176.600 0.086 0.000 0.991 130 E CA 0.848 57.295 56.400 0.079 0.000 0.810 130 E CB -1.123 28.611 29.700 0.057 0.000 0.742 130 E HN 0.056 nan 8.360 nan 0.000 0.466 131 V N 0.229 120.188 119.914 0.075 0.000 2.358 131 V HA -0.225 3.895 4.120 0.001 0.000 0.246 131 V C 1.924 178.109 176.094 0.151 0.000 1.047 131 V CA 1.266 63.590 62.300 0.041 0.000 1.035 131 V CB -0.296 31.447 31.823 -0.133 0.000 0.658 131 V HN 0.217 nan 8.190 nan 0.000 0.452 132 L N -0.837 120.491 121.223 0.175 0.000 2.093 132 L HA -0.098 4.242 4.340 0.001 0.000 0.208 132 L C 2.192 179.304 176.870 0.404 0.000 1.085 132 L CA 1.651 56.687 54.840 0.328 0.000 0.755 132 L CB -0.666 41.601 42.059 0.346 0.000 0.904 132 L HN 0.234 nan 8.230 nan 0.000 0.435 133 L N -0.967 120.413 121.223 0.261 0.000 2.083 133 L HA -0.203 4.138 4.340 0.001 0.000 0.209 133 L C 2.577 179.605 176.870 0.263 0.000 1.083 133 L CA 1.038 56.026 54.840 0.246 0.000 0.752 133 L CB -0.451 41.695 42.059 0.145 0.000 0.899 133 L HN 0.265 nan 8.230 nan 0.000 0.433 134 E N 0.481 120.788 120.200 0.178 0.000 2.072 134 E HA -0.214 4.136 4.350 0.001 0.000 0.191 134 E C 1.974 178.587 176.600 0.022 0.000 0.985 134 E CA 1.548 57.996 56.400 0.080 0.000 0.801 134 E CB -0.280 29.409 29.700 -0.018 0.000 0.750 134 E HN 0.337 nan 8.360 nan 0.000 0.452 135 F N 0.298 120.259 119.950 0.018 0.000 2.234 135 F HA -0.142 4.385 4.527 0.000 0.000 0.299 135 F C 2.516 178.394 175.800 0.130 0.000 1.087 135 F CA 1.727 59.671 58.000 -0.093 0.000 1.340 135 F CB -0.375 38.408 39.000 -0.362 0.000 1.031 135 F HN 0.315 nan 8.300 nan 0.000 0.500 136 H N 0.032 119.394 119.070 0.487 0.000 2.353 136 H HA -0.183 4.373 4.556 0.000 0.000 0.300 136 H C 2.114 177.560 175.328 0.196 0.000 1.090 136 H CA 1.902 58.219 56.048 0.448 0.000 1.327 136 H CB -0.059 29.885 29.762 0.303 0.000 1.383 136 H HN 0.236 nan 8.280 nan 0.000 0.508 137 E N 0.577 120.717 120.200 -0.099 0.000 2.077 137 E HA -0.097 4.253 4.350 0.001 0.000 0.193 137 E C 2.538 178.950 176.600 -0.313 0.000 0.989 137 E CA 1.244 57.484 56.400 -0.267 0.000 0.800 137 E CB -0.315 29.305 29.700 -0.133 0.000 0.746 137 E HN 0.294 nan 8.360 nan 0.000 0.452 138 V N -0.315 119.482 119.914 -0.194 0.000 2.255 138 V HA -0.278 3.842 4.120 0.001 0.000 0.247 138 V C 2.340 178.274 176.094 -0.267 0.000 1.051 138 V CA 1.801 63.956 62.300 -0.242 0.000 1.018 138 V CB -0.462 31.041 31.823 -0.533 0.000 0.641 138 V HN 0.207 nan 8.190 nan 0.000 0.445 139 V N -0.046 119.771 119.914 -0.162 0.000 2.358 139 V HA -0.238 3.882 4.120 0.001 0.000 0.246 139 V C 2.493 178.657 176.094 0.115 0.000 1.047 139 V CA 2.279 64.662 62.300 0.138 0.000 1.035 139 V CB -0.873 31.229 31.823 0.466 0.000 0.658 139 V HN 0.513 nan 8.190 nan 0.000 0.452 140 R N 0.336 120.802 120.500 -0.057 0.000 2.080 140 R HA -0.170 4.171 4.340 0.001 0.000 0.236 140 R C 2.580 178.887 176.300 0.011 0.000 1.137 140 R CA 1.784 57.838 56.100 -0.077 0.000 0.943 140 R CB -0.212 29.898 30.300 -0.315 0.000 0.846 140 R HN 0.409 nan 8.270 nan 0.000 0.431 141 R N -0.587 119.876 120.500 -0.061 0.000 2.075 141 R HA -0.059 4.281 4.340 0.001 0.000 0.232 141 R C 2.303 178.709 176.300 0.177 0.000 1.126 141 R CA 1.911 58.052 56.100 0.068 0.000 0.963 141 R CB -0.422 29.753 30.300 -0.207 0.000 0.858 141 R HN 0.318 nan 8.270 nan 0.000 0.435 142 T N 1.119 115.751 114.554 0.131 0.000 2.746 142 T HA -0.137 4.213 4.350 0.001 0.000 0.267 142 T C 1.973 176.745 174.700 0.120 0.000 1.039 142 T CA 1.472 63.665 62.100 0.154 0.000 1.142 142 T CB -0.220 68.754 68.868 0.178 0.000 0.866 142 T HN 0.371 nan 8.240 nan 0.000 0.444 143 A N 0.277 123.188 122.820 0.150 0.000 1.933 143 A HA -0.082 4.238 4.320 0.001 0.000 0.218 143 A C 2.088 179.765 177.584 0.155 0.000 1.175 143 A CA 1.408 53.536 52.037 0.152 0.000 0.628 143 A CB -1.002 18.118 19.000 0.199 0.000 0.814 143 A HN 0.667 nan 8.150 nan 0.000 0.444 144 Y N 0.424 120.746 120.300 0.037 0.000 2.242 144 Y HA -0.022 4.528 4.550 0.000 0.000 0.291 144 Y C 2.412 178.296 175.900 -0.025 0.000 1.137 144 Y CA 1.103 59.194 58.100 -0.014 0.000 1.181 144 Y CB -0.355 38.059 38.460 -0.076 0.000 0.989 144 Y HN 0.294 nan 8.280 nan 0.000 0.527 145 G N -0.271 108.470 108.800 -0.099 0.000 2.418 145 G HA2 -0.341 3.619 3.960 0.001 0.000 0.217 145 G HA3 -0.341 3.619 3.960 0.001 0.000 0.217 145 G C 1.402 176.151 174.900 -0.252 0.000 1.158 145 G CA 0.996 45.977 45.100 -0.199 0.000 0.771 145 G HN 0.425 nan 8.290 nan 0.000 0.545 146 Q N 0.136 119.863 119.800 -0.122 0.000 2.119 146 Q HA -0.128 4.213 4.340 0.001 0.000 0.201 146 Q C 2.108 178.000 176.000 -0.180 0.000 0.972 146 Q CA 2.040 57.768 55.803 -0.125 0.000 0.847 146 Q CB -0.603 28.109 28.738 -0.044 0.000 0.903 146 Q HN 0.718 nan 8.270 nan 0.000 0.433 147 H N -0.386 118.542 119.070 -0.236 0.000 2.319 147 H HA -0.107 4.450 4.556 0.001 0.000 0.299 147 H C 1.646 176.728 175.328 -0.411 0.000 1.092 147 H CA 2.225 58.130 56.048 -0.239 0.000 1.302 147 H CB -0.271 29.401 29.762 -0.150 0.000 1.373 147 H HN 0.320 nan 8.280 nan 0.000 0.497 148 L N -0.191 120.625 121.223 -0.677 0.000 2.017 148 L HA -0.168 4.173 4.340 0.001 0.000 0.208 148 L C 2.385 178.455 176.870 -1.335 0.000 1.073 148 L CA 1.652 55.870 54.840 -1.037 0.000 0.745 148 L CB -0.511 40.918 42.059 -1.050 0.000 0.894 148 L HN 0.374 nan 8.230 nan 0.000 0.432 149 D N 0.171 120.020 120.400 -0.919 0.000 2.117 149 D HA -0.158 4.482 4.640 0.001 0.000 0.197 149 D C 2.329 178.388 176.300 -0.402 0.000 0.987 149 D CA 1.203 54.817 54.000 -0.645 0.000 0.829 149 D CB -0.004 40.599 40.800 -0.329 0.000 0.961 149 D HN 0.175 nan 8.370 nan 0.000 0.460 150 L N -0.186 120.824 121.223 -0.356 0.000 2.056 150 L HA -0.136 4.205 4.340 0.001 0.000 0.207 150 L C 2.442 179.167 176.870 -0.242 0.000 1.078 150 L CA 0.412 55.113 54.840 -0.231 0.000 0.749 150 L CB -0.418 41.529 42.059 -0.187 0.000 0.901 150 L HN 0.157 nan 8.230 nan 0.000 0.433 151 L N -0.570 120.411 121.223 -0.404 0.000 2.013 151 L HA -0.231 4.109 4.340 0.001 0.000 0.212 151 L C 2.278 179.117 176.870 -0.051 0.000 1.073 151 L CA 1.993 56.656 54.840 -0.295 0.000 0.753 151 L CB -0.665 41.121 42.059 -0.456 0.000 0.890 151 L HN 0.231 nan 8.230 nan 0.000 0.432 152 W N -0.502 120.687 121.300 -0.185 0.000 2.407 152 W HA -0.027 4.633 4.660 0.001 0.000 0.305 152 W C 2.590 178.974 176.519 -0.224 0.000 1.196 152 W CA 1.397 58.628 57.345 -0.190 0.000 1.311 152 W CB -1.908 27.437 29.460 -0.193 0.000 1.135 152 W HN 0.133 nan 8.180 nan 0.000 0.514 153 T N 1.662 116.240 114.554 0.041 0.000 2.737 153 T HA -0.113 4.238 4.350 0.001 0.000 0.265 153 T C 2.120 176.802 174.700 -0.031 0.000 1.038 153 T CA 1.374 63.449 62.100 -0.042 0.000 1.144 153 T CB -0.666 68.190 68.868 -0.020 0.000 0.866 153 T HN -0.002 nan 8.240 nan 0.000 0.434 154 L N 0.550 121.758 121.223 -0.026 0.000 2.131 154 L HA 0.031 4.372 4.340 0.001 0.000 0.210 154 L C 2.615 179.487 176.870 0.003 0.000 1.092 154 L CA 1.248 56.081 54.840 -0.011 0.000 0.759 154 L CB -0.590 41.453 42.059 -0.026 0.000 0.903 154 L HN 0.348 nan 8.230 nan 0.000 0.435 155 G N -1.623 107.178 108.800 0.001 0.000 3.189 155 G HA2 0.317 4.277 3.960 0.001 0.000 0.225 155 G HA3 0.317 4.277 3.960 0.001 0.000 0.225 155 G C 1.164 176.076 174.900 0.019 0.000 1.159 155 G CA 0.368 45.477 45.100 0.016 0.000 0.763 155 G HN 0.459 nan 8.290 nan 0.000 0.549 156 G N -0.108 108.689 108.800 -0.005 0.000 2.153 156 G HA2 -0.277 3.683 3.960 0.001 0.000 0.252 156 G HA3 -0.277 3.683 3.960 0.001 0.000 0.252 156 G C 0.350 175.235 174.900 -0.025 0.000 0.994 156 G CA 0.399 45.514 45.100 0.025 0.000 0.698 156 G HN 0.560 nan 8.290 nan 0.000 0.521 157 T N 0.144 114.611 114.554 -0.144 0.000 2.779 157 T HA 0.511 4.861 4.350 0.001 0.000 0.296 157 T C 0.663 175.127 174.700 -0.392 0.000 0.938 157 T CA 0.300 62.306 62.100 -0.157 0.000 1.119 157 T CB 0.572 69.364 68.868 -0.126 0.000 0.891 157 T HN 0.207 nan 8.240 nan 0.000 0.526 158 F N 0.657 120.559 119.950 -0.080 0.000 2.767 158 F HA 0.162 4.690 4.527 0.001 0.000 0.323 158 F C 1.116 176.832 175.800 -0.140 0.000 1.091 158 F CA -0.705 57.240 58.000 -0.091 0.000 1.192 158 F CB 0.611 39.593 39.000 -0.030 0.000 1.056 158 F HN 0.464 nan 8.300 nan 0.000 0.571 159 D N 2.272 122.667 120.400 -0.008 0.000 2.619 159 D HA 0.196 4.836 4.640 0.001 0.000 0.224 159 D C -0.311 175.884 176.300 -0.175 0.000 1.133 159 D CA 0.370 54.331 54.000 -0.064 0.000 1.017 159 D CB -0.052 40.723 40.800 -0.041 0.000 1.077 159 D HN 0.205 nan 8.370 nan 0.000 0.503 160 L N 0.715 121.797 121.223 -0.235 0.000 2.334 160 L HA 0.520 4.860 4.340 0.001 0.000 0.273 160 L C 0.883 177.632 176.870 -0.201 0.000 1.013 160 L CA -1.131 53.501 54.840 -0.347 0.000 0.816 160 L CB 1.936 43.599 42.059 -0.659 0.000 1.278 160 L HN -0.062 nan 8.230 nan 0.000 0.431 161 R N 1.865 122.274 120.500 -0.151 0.000 2.549 161 R HA 0.298 4.638 4.340 0.001 0.000 0.267 161 R C -1.740 174.532 176.300 -0.047 0.000 1.045 161 R CA -1.553 54.500 56.100 -0.078 0.000 1.115 161 R CB 0.346 30.630 30.300 -0.027 0.000 1.121 161 R HN 0.291 nan 8.270 nan 0.000 0.543 162 P HA -0.189 nan 4.420 nan 0.000 0.216 162 P C 0.262 177.565 177.300 0.004 0.000 1.150 162 P CA 1.352 64.413 63.100 -0.065 0.000 0.843 162 P CB 0.268 32.062 31.700 0.158 0.000 0.787 163 E N -0.613 119.713 120.200 0.210 0.000 2.118 163 E HA -0.183 4.167 4.350 0.001 0.000 0.195 163 E C 1.710 178.471 176.600 0.268 0.000 0.992 163 E CA 1.242 57.838 56.400 0.327 0.000 0.804 163 E CB -0.741 29.101 29.700 0.236 0.000 0.741 163 E HN 0.346 nan 8.360 nan 0.000 0.458 164 D N -0.383 120.116 120.400 0.165 0.000 2.117 164 D HA -0.161 4.479 4.640 0.001 0.000 0.198 164 D C 1.836 178.336 176.300 0.333 0.000 0.982 164 D CA 0.884 55.009 54.000 0.208 0.000 0.828 164 D CB -0.376 40.405 40.800 -0.032 0.000 0.967 164 D HN 0.223 nan 8.370 nan 0.000 0.464 165 Y N 0.978 121.316 120.300 0.063 0.000 2.128 165 Y HA -0.244 4.307 4.550 0.001 0.000 0.284 165 Y C 2.196 178.180 175.900 0.140 0.000 1.154 165 Y CA 1.546 59.691 58.100 0.075 0.000 1.149 165 Y CB -0.738 37.604 38.460 -0.196 0.000 0.976 165 Y HN -0.122 nan 8.280 nan 0.000 0.505 166 F N -0.078 119.995 119.950 0.205 0.000 2.126 166 F HA -0.219 4.309 4.527 0.001 0.000 0.299 166 F C 2.796 178.641 175.800 0.075 0.000 1.096 166 F CA 1.480 59.541 58.000 0.103 0.000 1.255 166 F CB -0.396 38.723 39.000 0.199 0.000 0.997 166 F HN -0.053 nan 8.300 nan 0.000 0.479 167 R N 0.289 120.992 120.500 0.339 0.000 2.075 167 R HA -0.195 4.145 4.340 0.001 0.000 0.232 167 R C 2.374 178.831 176.300 0.262 0.000 1.126 167 R CA 1.370 57.660 56.100 0.317 0.000 0.963 167 R CB -0.303 30.168 30.300 0.286 0.000 0.858 167 R HN 0.201 nan 8.270 nan 0.000 0.435 168 M N 1.054 120.726 119.600 0.121 0.000 2.086 168 M HA -0.126 4.354 4.480 0.001 0.000 0.261 168 M C 2.136 178.405 176.300 -0.051 0.000 1.067 168 M CA 2.048 57.303 55.300 -0.075 0.000 1.116 168 M CB -0.410 32.060 32.600 -0.216 0.000 1.348 168 M HN 0.195 nan 8.290 nan 0.000 0.407 169 V N -0.818 119.012 119.914 -0.140 0.000 2.515 169 V HA -0.026 4.094 4.120 0.001 0.000 0.250 169 V C 2.485 178.604 176.094 0.041 0.000 1.058 169 V CA 1.506 63.734 62.300 -0.120 0.000 1.064 169 V CB -2.148 29.474 31.823 -0.336 0.000 0.675 169 V HN 0.443 nan 8.190 nan 0.000 0.461 170 A N 0.164 123.042 122.820 0.096 0.000 1.933 170 A HA -0.204 4.116 4.320 0.001 0.000 0.218 170 A C 1.965 179.587 177.584 0.062 0.000 1.175 170 A CA 2.326 54.417 52.037 0.091 0.000 0.628 170 A CB -0.882 18.170 19.000 0.087 0.000 0.814 170 A HN 0.754 nan 8.150 nan 0.000 0.444 171 H N -1.054 118.070 119.070 0.091 0.000 2.355 171 H HA 0.067 4.623 4.556 0.001 0.000 0.303 171 H C 2.053 177.445 175.328 0.108 0.000 1.061 171 H CA 1.572 57.678 56.048 0.097 0.000 1.368 171 H CB -0.000 29.806 29.762 0.074 0.000 1.412 171 H HN 0.495 nan 8.280 nan 0.000 0.523 172 K N -0.086 120.424 120.400 0.183 0.000 2.097 172 K HA -0.019 4.301 4.320 0.001 0.000 0.205 172 K C 1.571 178.328 176.600 0.261 0.000 1.050 172 K CA 1.300 57.673 56.287 0.142 0.000 0.938 172 K CB 0.162 32.680 32.500 0.029 0.000 0.718 172 K HN 0.298 nan 8.250 nan 0.000 0.442 173 A N -0.485 122.478 122.820 0.239 0.000 1.878 173 A HA 0.374 4.695 4.320 0.001 0.000 0.201 173 A C 1.959 179.593 177.584 0.082 0.000 1.684 173 A CA 0.448 52.630 52.037 0.243 0.000 1.113 173 A CB -0.313 18.795 19.000 0.180 0.000 1.131 173 A HN 0.251 nan 8.150 nan 0.000 0.472 174 A N -0.802 122.074 122.820 0.092 0.000 1.902 174 A HA -0.102 4.219 4.320 0.001 0.000 0.217 174 A C 2.024 179.597 177.584 -0.017 0.000 1.181 174 A CA 1.852 53.904 52.037 0.025 0.000 0.623 174 A CB -0.880 18.153 19.000 0.055 0.000 0.818 174 A HN 0.714 nan 8.150 nan 0.000 0.443 175 Y N -0.269 120.020 120.300 -0.018 0.000 2.114 175 Y HA -0.300 4.250 4.550 0.001 0.000 0.284 175 Y C 2.373 178.257 175.900 -0.027 0.000 1.143 175 Y CA 2.383 60.464 58.100 -0.033 0.000 1.135 175 Y CB -0.645 37.795 38.460 -0.032 0.000 0.980 175 Y HN 0.552 nan 8.280 nan 0.000 0.499 176 Y N -1.491 118.855 120.300 0.077 0.000 2.439 176 Y HA 0.005 4.556 4.550 0.000 0.000 0.292 176 Y C 1.963 177.794 175.900 -0.116 0.000 1.130 176 Y CA 1.305 59.378 58.100 -0.045 0.000 1.254 176 Y CB -1.060 37.441 38.460 0.068 0.000 1.000 176 Y HN -0.043 nan 8.280 nan 0.000 0.554 177 T N 0.296 114.471 114.554 -0.633 0.000 2.809 177 T HA 0.125 4.475 4.350 0.001 0.000 0.260 177 T C 1.906 176.363 174.700 -0.405 0.000 1.039 177 T CA 1.547 63.261 62.100 -0.643 0.000 1.141 177 T CB -0.306 68.177 68.868 -0.642 0.000 0.869 177 T HN 0.532 nan 8.240 nan 0.000 0.437 178 A N -0.074 122.547 122.820 -0.332 0.000 2.074 178 A HA 0.418 4.738 4.320 0.001 0.000 0.200 178 A C 2.226 179.640 177.584 -0.283 0.000 1.335 178 A CA 0.046 51.920 52.037 -0.270 0.000 0.922 178 A CB -0.043 18.832 19.000 -0.208 0.000 0.972 178 A HN 0.263 nan 8.150 nan 0.000 0.475 179 V N 0.185 119.865 119.914 -0.389 0.000 2.379 179 V HA -0.075 4.045 4.120 0.001 0.000 0.243 179 V C 3.004 178.797 176.094 -0.502 0.000 1.035 179 V CA 1.750 63.758 62.300 -0.486 0.000 1.035 179 V CB -1.086 30.256 31.823 -0.802 0.000 0.673 179 V HN 0.511 nan 8.190 nan 0.000 0.457 180 A N 0.838 123.294 122.820 -0.607 0.000 1.883 180 A HA -0.150 4.171 4.320 0.001 0.000 0.217 180 A C 0.511 177.917 177.584 -0.296 0.000 1.186 180 A CA 2.268 54.046 52.037 -0.430 0.000 0.624 180 A CB -1.942 16.832 19.000 -0.377 0.000 0.822 180 A HN 0.526 nan 8.150 nan 0.000 0.444 181 P HA -0.121 nan 4.420 nan 0.000 0.216 181 P C 1.424 178.630 177.300 -0.157 0.000 1.150 181 P CA 0.856 63.847 63.100 -0.180 0.000 0.837 181 P CB -0.106 31.499 31.700 -0.158 0.000 0.786 182 L N -1.192 119.917 121.223 -0.190 0.000 2.023 182 L HA -0.097 4.244 4.340 0.001 0.000 0.205 182 L C 2.637 179.484 176.870 -0.038 0.000 1.073 182 L CA 1.506 56.215 54.840 -0.219 0.000 0.745 182 L CB -0.709 41.057 42.059 -0.488 0.000 0.900 182 L HN -0.135 nan 8.230 nan 0.000 0.435 183 R N 0.147 120.665 120.500 0.029 0.000 2.081 183 R HA -0.127 4.213 4.340 0.001 0.000 0.235 183 R C 2.333 178.599 176.300 -0.058 0.000 1.131 183 R CA 1.172 57.322 56.100 0.085 0.000 0.960 183 R CB -0.435 29.879 30.300 0.023 0.000 0.856 183 R HN 0.302 nan 8.270 nan 0.000 0.436 184 L N -0.335 120.813 121.223 -0.125 0.000 2.042 184 L HA -0.136 4.204 4.340 0.001 0.000 0.210 184 L C 2.581 179.370 176.870 -0.135 0.000 1.076 184 L CA 1.451 56.212 54.840 -0.133 0.000 0.749 184 L CB -0.841 41.120 42.059 -0.164 0.000 0.893 184 L HN 0.389 nan 8.230 nan 0.000 0.432 185 G N -0.475 108.214 108.800 -0.185 0.000 2.446 185 G HA2 -0.285 3.676 3.960 0.001 0.000 0.217 185 G HA3 -0.285 3.676 3.960 0.001 0.000 0.217 185 G C 1.750 176.336 174.900 -0.523 0.000 1.168 185 G CA 0.891 45.839 45.100 -0.253 0.000 0.771 185 G HN 0.485 nan 8.290 nan 0.000 0.551 186 A N 0.567 122.916 122.820 -0.785 0.000 1.873 186 A HA 0.112 4.432 4.320 0.001 0.000 0.215 186 A C 2.463 179.960 177.584 -0.144 0.000 1.186 186 A CA 1.330 53.076 52.037 -0.486 0.000 0.616 186 A CB -0.453 18.426 19.000 -0.202 0.000 0.823 186 A HN 0.347 nan 8.150 nan 0.000 0.442 187 L N -0.636 120.527 121.223 -0.101 0.000 2.083 187 L HA -0.180 4.160 4.340 0.001 0.000 0.209 187 L C 2.444 179.319 176.870 0.008 0.000 1.083 187 L CA 1.009 55.832 54.840 -0.028 0.000 0.752 187 L CB -0.586 41.461 42.059 -0.020 0.000 0.899 187 L HN 0.352 nan 8.230 nan 0.000 0.433 188 L N -0.317 120.908 121.223 0.003 0.000 2.265 188 L HA -0.140 4.200 4.340 0.001 0.000 0.215 188 L C 2.357 179.272 176.870 0.076 0.000 1.117 188 L CA 0.852 55.735 54.840 0.072 0.000 0.782 188 L CB -0.490 41.617 42.059 0.081 0.000 0.914 188 L HN 0.232 nan 8.230 nan 0.000 0.441 189 A N -0.697 122.153 122.820 0.050 0.000 2.345 189 A HA 0.394 4.714 4.320 0.001 0.000 0.225 189 A C 1.621 179.241 177.584 0.060 0.000 1.243 189 A CA 0.499 52.578 52.037 0.070 0.000 0.875 189 A CB -0.234 18.831 19.000 0.108 0.000 0.929 189 A HN 0.434 nan 8.150 nan 0.000 0.502 190 G N -0.141 108.689 108.800 0.049 0.000 2.176 190 G HA2 -0.228 3.732 3.960 0.001 0.000 0.252 190 G HA3 -0.228 3.732 3.960 0.001 0.000 0.252 190 G C -0.049 174.874 174.900 0.037 0.000 1.024 190 G CA 0.550 45.677 45.100 0.044 0.000 0.755 190 G HN 0.379 nan 8.290 nan 0.000 0.507 191 K N 0.263 120.684 120.400 0.033 0.000 2.156 191 K HA 0.618 4.939 4.320 0.001 0.000 0.250 191 K C 0.251 176.853 176.600 0.003 0.000 0.955 191 K CA -0.530 55.777 56.287 0.034 0.000 0.855 191 K CB 1.254 33.802 32.500 0.081 0.000 1.101 191 K HN 0.067 nan 8.250 nan 0.000 0.434 192 T N 4.580 119.128 114.554 -0.009 0.000 2.761 192 T HA 0.224 4.574 4.350 0.001 0.000 0.296 192 T C -2.119 172.524 174.700 -0.096 0.000 0.934 192 T CA -1.115 60.963 62.100 -0.037 0.000 1.091 192 T CB 0.507 69.357 68.868 -0.031 0.000 0.896 192 T HN 0.297 nan 8.240 nan 0.000 0.515 193 P HA 0.241 nan 4.420 nan 0.000 0.271 193 P C -2.460 174.629 177.300 -0.351 0.000 1.216 193 P CA -1.386 61.527 63.100 -0.312 0.000 0.771 193 P CB 0.023 31.630 31.700 -0.155 0.000 0.864 194 P HA 0.084 nan 4.420 nan 0.000 0.274 194 P C 0.621 177.786 177.300 -0.225 0.000 1.237 194 P CA -0.298 62.608 63.100 -0.324 0.000 0.793 194 P CB 0.719 32.233 31.700 -0.311 0.000 0.977 195 A N 1.965 124.726 122.820 -0.099 0.000 2.070 195 A HA -0.077 4.244 4.320 0.001 0.000 0.220 195 A C 2.196 179.782 177.584 0.004 0.000 1.159 195 A CA 1.811 53.829 52.037 -0.032 0.000 0.656 195 A CB -1.449 17.540 19.000 -0.017 0.000 0.800 195 A HN 0.618 nan 8.150 nan 0.000 0.453 196 A N -1.301 121.518 122.820 -0.001 0.000 2.019 196 A HA -0.066 4.255 4.320 0.001 0.000 0.219 196 A C 1.969 179.654 177.584 0.168 0.000 1.164 196 A CA 1.383 53.452 52.037 0.053 0.000 0.644 196 A CB -0.668 18.354 19.000 0.037 0.000 0.805 196 A HN 0.544 nan 8.150 nan 0.000 0.449 197 Y N -0.186 120.096 120.300 -0.031 0.000 2.145 197 Y HA -0.156 4.395 4.550 0.000 0.000 0.286 197 Y C 2.434 178.293 175.900 -0.067 0.000 1.145 197 Y CA 1.146 59.227 58.100 -0.033 0.000 1.148 197 Y CB -0.838 37.621 38.460 -0.001 0.000 0.981 197 Y HN 0.604 nan 8.280 nan 0.000 0.507 198 E N -0.030 120.245 120.200 0.125 0.000 2.046 198 E HA -0.163 4.187 4.350 0.001 0.000 0.190 198 E C 1.946 178.563 176.600 0.029 0.000 0.982 198 E CA 1.134 57.567 56.400 0.054 0.000 0.800 198 E CB 0.166 29.928 29.700 0.102 0.000 0.756 198 E HN 0.280 nan 8.360 nan 0.000 0.449 199 E N 0.043 120.261 120.200 0.031 0.000 2.051 199 E HA -0.151 4.200 4.350 0.001 0.000 0.192 199 E C 2.069 178.657 176.600 -0.020 0.000 0.991 199 E CA 1.313 57.715 56.400 0.004 0.000 0.799 199 E CB -0.657 29.044 29.700 0.001 0.000 0.748 199 E HN 0.440 nan 8.360 nan 0.000 0.449 200 G N 0.615 109.400 108.800 -0.025 0.000 2.403 200 G HA2 -0.133 3.827 3.960 0.001 0.000 0.216 200 G HA3 -0.133 3.827 3.960 0.001 0.000 0.216 200 G C 1.690 176.548 174.900 -0.071 0.000 1.154 200 G CA 0.800 45.862 45.100 -0.063 0.000 0.784 200 G HN 0.402 nan 8.290 nan 0.000 0.538 201 G N 0.975 109.733 108.800 -0.069 0.000 2.418 201 G HA2 -0.129 3.831 3.960 0.001 0.000 0.217 201 G HA3 -0.129 3.831 3.960 0.001 0.000 0.217 201 G C 1.779 176.630 174.900 -0.082 0.000 1.158 201 G CA 0.604 45.643 45.100 -0.101 0.000 0.771 201 G HN 0.407 nan 8.290 nan 0.000 0.545 202 L N -0.383 120.810 121.223 -0.050 0.000 2.093 202 L HA -0.022 4.318 4.340 0.001 0.000 0.208 202 L C 3.169 180.033 176.870 -0.010 0.000 1.085 202 L CA 0.852 55.681 54.840 -0.017 0.000 0.755 202 L CB -0.297 41.767 42.059 0.007 0.000 0.904 202 L HN 0.158 nan 8.230 nan 0.000 0.435 203 R N -0.063 120.419 120.500 -0.031 0.000 2.066 203 R HA -0.113 4.227 4.340 0.001 0.000 0.232 203 R C 2.300 178.596 176.300 -0.007 0.000 1.131 203 R CA 1.175 57.254 56.100 -0.035 0.000 0.955 203 R CB -0.337 29.928 30.300 -0.058 0.000 0.851 203 R HN 0.294 nan 8.270 nan 0.000 0.432 204 L N -0.629 120.582 121.223 -0.019 0.000 2.017 204 L HA -0.089 4.252 4.340 0.001 0.000 0.208 204 L C 2.589 179.486 176.870 0.045 0.000 1.073 204 L CA 1.514 56.353 54.840 -0.002 0.000 0.745 204 L CB -0.952 41.083 42.059 -0.040 0.000 0.894 204 L HN 0.383 nan 8.230 nan 0.000 0.432 205 G N -0.808 107.999 108.800 0.012 0.000 2.432 205 G HA2 -0.217 3.743 3.960 0.001 0.000 0.219 205 G HA3 -0.217 3.743 3.960 0.001 0.000 0.219 205 G C 1.588 176.592 174.900 0.174 0.000 1.135 205 G CA 1.311 46.440 45.100 0.049 0.000 0.767 205 G HN 0.295 nan 8.290 nan 0.000 0.550 206 T N 1.350 115.986 114.554 0.137 0.000 2.809 206 T HA 0.154 4.504 4.350 0.001 0.000 0.260 206 T C 2.861 177.686 174.700 0.208 0.000 1.039 206 T CA 1.182 63.397 62.100 0.191 0.000 1.141 206 T CB -0.316 68.666 68.868 0.190 0.000 0.869 206 T HN 0.342 nan 8.240 nan 0.000 0.437 207 A N 1.492 124.402 122.820 0.151 0.000 1.908 207 A HA -0.092 4.228 4.320 0.001 0.000 0.218 207 A C 1.991 179.655 177.584 0.132 0.000 1.181 207 A CA 1.597 53.703 52.037 0.116 0.000 0.627 207 A CB -1.058 17.983 19.000 0.068 0.000 0.818 207 A HN 0.496 nan 8.150 nan 0.000 0.445 208 F N 0.637 120.603 119.950 0.025 0.000 2.065 208 F HA -0.252 4.275 4.527 0.001 0.000 0.298 208 F C 2.422 178.247 175.800 0.040 0.000 1.112 208 F CA 2.396 60.404 58.000 0.015 0.000 1.212 208 F CB -0.344 38.648 39.000 -0.013 0.000 0.975 208 F HN 0.214 nan 8.300 nan 0.000 0.476 209 Q N 0.570 120.308 119.800 -0.103 0.000 2.079 209 Q HA -0.140 4.201 4.340 0.001 0.000 0.200 209 Q C 2.541 178.504 176.000 -0.062 0.000 0.974 209 Q CA 1.992 57.698 55.803 -0.161 0.000 0.840 209 Q CB -0.516 28.285 28.738 0.106 0.000 0.898 209 Q HN 0.566 nan 8.270 nan 0.000 0.430 210 I N -0.115 120.486 120.570 0.052 0.000 2.226 210 I HA -0.242 3.928 4.170 0.001 0.000 0.245 210 I C 2.310 178.399 176.117 -0.046 0.000 1.100 210 I CA 0.748 62.069 61.300 0.034 0.000 1.374 210 I CB -0.332 37.709 38.000 0.068 0.000 1.057 210 I HN -0.039 nan 8.210 nan 0.000 0.413 211 V N 0.863 120.735 119.914 -0.069 0.000 2.343 211 V HA -0.297 3.823 4.120 0.001 0.000 0.247 211 V C 2.041 178.063 176.094 -0.120 0.000 1.051 211 V CA 2.009 64.260 62.300 -0.081 0.000 1.036 211 V CB -0.691 31.097 31.823 -0.059 0.000 0.654 211 V HN 0.400 nan 8.190 nan 0.000 0.451 212 D N 0.055 120.324 120.400 -0.218 0.000 2.117 212 D HA -0.150 4.491 4.640 0.001 0.000 0.197 212 D C 1.919 178.147 176.300 -0.120 0.000 0.987 212 D CA 1.370 55.240 54.000 -0.217 0.000 0.829 212 D CB -0.381 40.191 40.800 -0.380 0.000 0.961 212 D HN 0.417 nan 8.370 nan 0.000 0.460 213 D N -0.052 120.292 120.400 -0.094 0.000 2.144 213 D HA -0.082 4.559 4.640 0.001 0.000 0.200 213 D C 2.226 178.496 176.300 -0.049 0.000 0.978 213 D CA 0.332 54.302 54.000 -0.049 0.000 0.833 213 D CB -0.161 40.622 40.800 -0.028 0.000 0.961 213 D HN 0.092 nan 8.370 nan 0.000 0.470 214 V N 1.029 120.910 119.914 -0.056 0.000 2.427 214 V HA -0.178 3.942 4.120 0.001 0.000 0.248 214 V C 2.586 178.654 176.094 -0.044 0.000 1.051 214 V CA 0.961 63.232 62.300 -0.048 0.000 1.048 214 V CB -0.386 31.410 31.823 -0.045 0.000 0.666 214 V HN 0.192 nan 8.190 nan 0.000 0.456 215 L N 0.030 121.224 121.223 -0.049 0.000 2.056 215 L HA -0.164 4.176 4.340 0.001 0.000 0.207 215 L C 2.321 179.172 176.870 -0.032 0.000 1.078 215 L CA 1.697 56.513 54.840 -0.040 0.000 0.749 215 L CB -0.731 41.300 42.059 -0.045 0.000 0.901 215 L HN 0.356 nan 8.230 nan 0.000 0.433 216 N N -0.205 118.476 118.700 -0.032 0.000 2.289 216 N HA -0.138 4.602 4.740 0.001 0.000 0.184 216 N C 1.801 177.302 175.510 -0.015 0.000 1.016 216 N CA 1.017 54.057 53.050 -0.018 0.000 0.872 216 N CB -0.084 38.397 38.487 -0.010 0.000 0.973 216 N HN 0.262 nan 8.380 nan 0.000 0.433 217 L N -0.011 121.196 121.223 -0.028 0.000 2.168 217 L HA 0.021 4.361 4.340 0.001 0.000 0.203 217 L C 1.882 178.730 176.870 -0.038 0.000 1.078 217 L CA 0.912 55.730 54.840 -0.037 0.000 0.780 217 L CB -0.120 41.904 42.059 -0.058 0.000 0.939 217 L HN 0.201 nan 8.230 nan 0.000 0.451 218 E N -0.244 119.935 120.200 -0.035 0.000 2.030 218 E HA 0.017 4.367 4.350 0.001 0.000 0.189 218 E C 1.181 177.767 176.600 -0.023 0.000 0.974 218 E CA 0.614 56.995 56.400 -0.032 0.000 0.807 218 E CB -0.072 29.610 29.700 -0.030 0.000 0.771 218 E HN 0.387 nan 8.360 nan 0.000 0.451 219 G N -0.268 108.520 108.800 -0.021 0.000 2.531 219 G HA2 0.550 4.511 3.960 0.001 0.000 0.281 219 G HA3 0.550 4.511 3.960 0.001 0.000 0.281 219 G C -0.121 174.771 174.900 -0.013 0.000 1.382 219 G CA 0.114 45.205 45.100 -0.016 0.000 1.045 219 G HN 0.378 nan 8.290 nan 0.000 0.533 227 R N 2.341 122.838 120.500 -0.005 0.000 2.360 227 R HA 0.771 5.111 4.340 0.001 0.000 0.318 227 R C -0.480 175.893 176.300 0.120 0.000 0.950 227 R CA -0.066 56.065 56.100 0.052 0.000 0.837 227 R CB 1.543 31.883 30.300 0.066 0.000 1.165 227 R HN 0.738 nan 8.270 nan 0.000 0.458 228 A N 2.568 125.433 122.820 0.075 0.000 2.237 228 A HA -0.150 4.170 4.320 0.001 0.000 0.281 228 A C 1.200 178.886 177.584 0.171 0.000 1.414 228 A CA 0.629 52.718 52.037 0.087 0.000 0.733 228 A CB -1.697 17.338 19.000 0.059 0.000 1.168 228 A HN 1.150 nan 8.150 nan 0.000 0.347 229 G N 0.087 108.952 108.800 0.109 0.000 2.443 229 G HA2 -0.098 3.863 3.960 0.001 0.000 0.219 229 G HA3 -0.098 3.863 3.960 0.001 0.000 0.219 229 G C 0.884 175.877 174.900 0.154 0.000 1.131 229 G CA 1.238 46.411 45.100 0.122 0.000 0.775 229 G HN 0.726 nan 8.290 nan 0.000 0.547 230 D N 0.137 120.600 120.400 0.105 0.000 2.310 230 D HA -0.037 4.604 4.640 0.001 0.000 0.212 230 D C 2.261 178.625 176.300 0.106 0.000 0.965 230 D CA 0.347 54.405 54.000 0.096 0.000 0.879 230 D CB 0.154 40.990 40.800 0.061 0.000 0.921 230 D HN 0.203 nan 8.370 nan 0.000 0.510 231 L N -0.565 120.720 121.223 0.103 0.000 2.068 231 L HA -0.081 4.259 4.340 0.001 0.000 0.204 231 L C 2.012 178.889 176.870 0.012 0.000 1.076 231 L CA 1.120 55.970 54.840 0.017 0.000 0.753 231 L CB -0.889 41.124 42.059 -0.077 0.000 0.910 231 L HN 0.028 nan 8.230 nan 0.000 0.439 232 Y N -0.075 120.244 120.300 0.031 0.000 2.333 232 Y HA -0.142 4.408 4.550 0.000 0.000 0.290 232 Y C 2.395 178.332 175.900 0.063 0.000 1.144 232 Y CA 0.944 59.068 58.100 0.041 0.000 1.228 232 Y CB -0.197 38.282 38.460 0.032 0.000 0.985 232 Y HN 0.198 nan 8.280 nan 0.000 0.542 233 E N -0.866 119.465 120.200 0.218 0.000 2.442 233 E HA 0.085 4.435 4.350 0.001 0.000 0.195 233 E C 1.637 178.347 176.600 0.182 0.000 1.030 233 E CA 0.778 57.280 56.400 0.171 0.000 0.869 233 E CB -0.175 29.608 29.700 0.139 0.000 0.857 233 E HN 0.427 nan 8.360 nan 0.000 0.505 234 G N 2.949 111.863 108.800 0.190 0.000 2.273 234 G HA2 -0.344 3.616 3.960 0.001 0.000 0.280 234 G HA3 -0.344 3.616 3.960 0.001 0.000 0.280 234 G C 0.213 175.307 174.900 0.323 0.000 1.047 234 G CA 0.770 46.053 45.100 0.304 0.000 0.869 234 G HN 0.233 nan 8.290 nan 0.000 0.502 235 K N -0.392 120.132 120.400 0.206 0.000 2.451 235 K HA 0.239 4.559 4.320 0.001 0.000 0.280 235 K C 0.662 177.385 176.600 0.205 0.000 1.020 235 K CA -0.439 55.952 56.287 0.173 0.000 1.008 235 K CB 0.195 32.773 32.500 0.130 0.000 0.917 235 K HN 0.092 nan 8.250 nan 0.000 0.478 236 R N 2.914 123.534 120.500 0.200 0.000 3.247 236 R HA 0.048 4.388 4.340 0.001 0.000 0.212 236 R C -0.274 176.167 176.300 0.236 0.000 1.604 236 R CA 0.016 56.247 56.100 0.219 0.000 1.279 236 R CB -0.265 30.183 30.300 0.247 0.000 1.277 236 R HN 0.646 nan 8.270 nan 0.000 0.669 237 T N -2.137 112.482 114.554 0.109 0.000 2.902 237 T HA 0.147 4.497 4.350 0.001 0.000 0.280 237 T C 1.171 175.673 174.700 -0.330 0.000 0.992 237 T CA -0.916 61.157 62.100 -0.044 0.000 1.015 237 T CB 1.011 69.861 68.868 -0.031 0.000 1.044 237 T HN 0.294 nan 8.240 nan 0.000 0.520 238 L N 1.181 121.943 121.223 -0.769 0.000 2.131 238 L HA 0.106 4.446 4.340 0.001 0.000 0.210 238 L C 2.209 178.948 176.870 -0.218 0.000 1.092 238 L CA 1.403 55.794 54.840 -0.749 0.000 0.759 238 L CB -0.947 40.628 42.059 -0.805 0.000 0.903 238 L HN 0.837 nan 8.230 nan 0.000 0.435 239 I N -1.349 119.139 120.570 -0.135 0.000 2.142 239 I HA -0.279 3.891 4.170 0.001 0.000 0.240 239 I C 2.333 178.458 176.117 0.012 0.000 1.078 239 I CA 1.235 62.523 61.300 -0.021 0.000 1.343 239 I CB -0.586 37.388 38.000 -0.043 0.000 1.046 239 I HN 0.289 nan 8.210 nan 0.000 0.405 240 L N 0.763 121.980 121.223 -0.010 0.000 2.046 240 L HA -0.160 4.180 4.340 0.001 0.000 0.208 240 L C 2.293 179.223 176.870 0.099 0.000 1.077 240 L CA 1.812 56.681 54.840 0.048 0.000 0.747 240 L CB -0.503 41.588 42.059 0.055 0.000 0.896 240 L HN 0.144 nan 8.230 nan 0.000 0.432 241 L N -0.958 120.282 121.223 0.028 0.000 2.083 241 L HA -0.185 4.155 4.340 0.001 0.000 0.209 241 L C 2.730 179.580 176.870 -0.033 0.000 1.083 241 L CA 1.194 56.033 54.840 -0.002 0.000 0.752 241 L CB -0.546 41.473 42.059 -0.067 0.000 0.899 241 L HN 0.269 nan 8.230 nan 0.000 0.433 242 R N 0.315 120.797 120.500 -0.029 0.000 2.092 242 R HA -0.202 4.139 4.340 0.001 0.000 0.231 242 R C 2.163 178.425 176.300 -0.063 0.000 1.119 242 R CA 1.483 57.527 56.100 -0.093 0.000 0.970 242 R CB -0.836 29.446 30.300 -0.029 0.000 0.864 242 R HN 0.239 nan 8.270 nan 0.000 0.440 243 F N 0.556 120.443 119.950 -0.104 0.000 2.069 243 F HA -0.130 4.397 4.527 0.000 0.000 0.298 243 F C 1.623 177.363 175.800 -0.100 0.000 1.113 243 F CA 1.716 59.654 58.000 -0.103 0.000 1.214 243 F CB -0.353 38.585 39.000 -0.104 0.000 0.978 243 F HN 0.027 nan 8.300 nan 0.000 0.474 244 L N 0.061 121.219 121.223 -0.108 0.000 2.141 244 L HA -0.186 4.155 4.340 0.001 0.000 0.209 244 L C 2.447 179.191 176.870 -0.210 0.000 1.094 244 L CA 1.673 56.403 54.840 -0.185 0.000 0.763 244 L CB -0.843 41.210 42.059 -0.011 0.000 0.908 244 L HN 0.281 nan 8.230 nan 0.000 0.437 245 E N 0.466 120.558 120.200 -0.181 0.000 2.268 245 E HA -0.202 4.149 4.350 0.001 0.000 0.195 245 E C 1.445 177.918 176.600 -0.211 0.000 0.995 245 E CA 1.037 57.329 56.400 -0.180 0.000 0.836 245 E CB 0.281 29.869 29.700 -0.187 0.000 0.763 245 E HN 0.569 nan 8.360 nan 0.000 0.491 246 E N -0.557 119.480 120.200 -0.271 0.000 2.514 246 E HA 0.212 4.562 4.350 0.001 0.000 0.215 246 E C -0.057 176.363 176.600 -0.301 0.000 0.946 246 E CA -0.065 56.180 56.400 -0.259 0.000 1.038 246 E CB 0.951 30.506 29.700 -0.242 0.000 1.069 246 E HN 0.126 nan 8.360 nan 0.000 0.503 247 A N 3.671 126.216 122.820 -0.460 0.000 2.498 247 A HA 0.172 4.493 4.320 0.001 0.000 0.239 247 A C -2.040 175.391 177.584 -0.254 0.000 1.068 247 A CA -0.934 50.811 52.037 -0.488 0.000 0.766 247 A CB -0.298 18.212 19.000 -0.816 0.000 1.003 247 A HN -0.057 nan 8.150 nan 0.000 0.497 248 P HA 0.141 nan 4.420 nan 0.000 0.272 248 P C -2.201 175.055 177.300 -0.073 0.000 1.223 248 P CA -1.230 61.813 63.100 -0.095 0.000 0.784 248 P CB 0.065 31.730 31.700 -0.057 0.000 0.923 249 P HA -0.231 nan 4.420 nan 0.000 0.217 249 P C 1.595 178.882 177.300 -0.023 0.000 1.158 249 P CA 1.772 64.848 63.100 -0.041 0.000 0.887 249 P CB -0.007 31.672 31.700 -0.034 0.000 0.792 250 E N -0.486 119.708 120.200 -0.011 0.000 2.047 250 E HA -0.226 4.124 4.350 0.001 0.000 0.191 250 E C 2.147 178.770 176.600 0.038 0.000 0.987 250 E CA 1.008 57.409 56.400 0.001 0.000 0.799 250 E CB -0.272 29.429 29.700 0.002 0.000 0.752 250 E HN 0.230 nan 8.360 nan 0.000 0.449 251 E N 0.306 120.553 120.200 0.080 0.000 2.106 251 E HA -0.212 4.139 4.350 0.001 0.000 0.192 251 E C 2.250 178.973 176.600 0.205 0.000 0.984 251 E CA 0.659 57.190 56.400 0.218 0.000 0.806 251 E CB 0.007 29.826 29.700 0.198 0.000 0.750 251 E HN 0.091 nan 8.360 nan 0.000 0.458 252 R N 0.035 120.557 120.500 0.037 0.000 2.075 252 R HA -0.094 4.247 4.340 0.001 0.000 0.232 252 R C 2.212 178.532 176.300 0.034 0.000 1.126 252 R CA 1.261 57.358 56.100 -0.004 0.000 0.963 252 R CB -0.223 30.025 30.300 -0.086 0.000 0.858 252 R HN 0.171 nan 8.270 nan 0.000 0.435 253 A N 0.947 123.777 122.820 0.017 0.000 1.902 253 A HA -0.184 4.136 4.320 0.001 0.000 0.217 253 A C 2.183 179.766 177.584 -0.003 0.000 1.181 253 A CA 1.456 53.492 52.037 -0.002 0.000 0.623 253 A CB -0.560 18.429 19.000 -0.018 0.000 0.818 253 A HN 0.385 nan 8.150 nan 0.000 0.443 254 R N -0.463 120.044 120.500 0.010 0.000 2.081 254 R HA -0.086 4.254 4.340 0.001 0.000 0.235 254 R C 2.306 178.637 176.300 0.052 0.000 1.131 254 R CA 1.401 57.457 56.100 -0.074 0.000 0.960 254 R CB -0.379 29.753 30.300 -0.280 0.000 0.856 254 R HN 0.446 nan 8.270 nan 0.000 0.436 255 A N 1.028 124.010 122.820 0.268 0.000 1.877 255 A HA -0.117 4.203 4.320 0.001 0.000 0.216 255 A C 2.184 179.771 177.584 0.004 0.000 1.186 255 A CA 1.155 53.353 52.037 0.268 0.000 0.620 255 A CB -0.568 18.626 19.000 0.323 0.000 0.822 255 A HN 0.336 nan 8.150 nan 0.000 0.443 256 L N -0.747 120.454 121.223 -0.038 0.000 2.131 256 L HA -0.197 4.143 4.340 0.001 0.000 0.210 256 L C 3.075 179.887 176.870 -0.096 0.000 1.092 256 L CA 0.916 55.679 54.840 -0.128 0.000 0.759 256 L CB -0.573 41.450 42.059 -0.059 0.000 0.903 256 L HN 0.461 nan 8.230 nan 0.000 0.435 257 A N 0.237 123.024 122.820 -0.055 0.000 1.877 257 A HA -0.235 4.086 4.320 0.001 0.000 0.216 257 A C 2.211 179.762 177.584 -0.056 0.000 1.186 257 A CA 1.804 53.811 52.037 -0.050 0.000 0.620 257 A CB -0.671 18.293 19.000 -0.061 0.000 0.822 257 A HN 0.335 nan 8.150 nan 0.000 0.443 258 L N -0.194 120.992 121.223 -0.062 0.000 2.017 258 L HA -0.068 4.272 4.340 0.001 0.000 0.208 258 L C 2.164 178.983 176.870 -0.085 0.000 1.073 258 L CA 1.731 56.533 54.840 -0.062 0.000 0.745 258 L CB -0.547 41.495 42.059 -0.030 0.000 0.894 258 L HN 0.376 nan 8.230 nan 0.000 0.432 259 L N -0.328 120.793 121.223 -0.170 0.000 2.265 259 L HA -0.111 4.229 4.340 0.001 0.000 0.215 259 L C 2.531 179.380 176.870 -0.035 0.000 1.117 259 L CA 0.827 55.511 54.840 -0.259 0.000 0.782 259 L CB -0.839 40.681 42.059 -0.899 0.000 0.914 259 L HN 0.406 nan 8.230 nan 0.000 0.441 260 A N -0.208 122.607 122.820 -0.008 0.000 2.119 260 A HA 0.081 4.401 4.320 0.001 0.000 0.217 260 A C 1.138 178.767 177.584 0.074 0.000 1.153 260 A CA 0.350 52.436 52.037 0.081 0.000 0.692 260 A CB -0.322 18.707 19.000 0.048 0.000 0.799 260 A HN 0.261 nan 8.150 nan 0.000 0.458 261 L N 1.680 122.928 121.223 0.042 0.000 2.349 261 L HA 0.281 4.621 4.340 0.001 0.000 0.275 261 L C -1.959 174.951 176.870 0.066 0.000 1.115 261 L CA -2.145 52.720 54.840 0.043 0.000 0.820 261 L CB 0.670 42.739 42.059 0.018 0.000 1.135 261 L HN 0.118 nan 8.230 nan 0.000 0.445 262 P HA 0.030 nan 4.420 nan 0.000 0.269 262 P C 0.138 177.493 177.300 0.092 0.000 1.215 262 P CA -0.413 62.737 63.100 0.083 0.000 0.780 262 P CB 0.520 32.262 31.700 0.070 0.000 0.898 263 R N 1.729 122.298 120.500 0.115 0.000 2.119 263 R HA -0.213 4.128 4.340 0.001 0.000 0.246 263 R C 1.139 177.530 176.300 0.152 0.000 1.146 263 R CA 1.767 57.961 56.100 0.156 0.000 0.962 263 R CB -1.122 29.275 30.300 0.162 0.000 0.863 263 R HN 0.332 nan 8.270 nan 0.000 0.442 264 E N 0.719 120.982 120.200 0.104 0.000 2.472 264 E HA 0.012 4.363 4.350 0.001 0.000 0.200 264 E C 0.580 177.226 176.600 0.077 0.000 1.046 264 E CA 1.130 57.580 56.400 0.084 0.000 0.871 264 E CB 0.435 30.171 29.700 0.060 0.000 0.806 264 E HN 0.561 nan 8.360 nan 0.000 0.533 265 A N 1.263 124.129 122.820 0.076 0.000 2.795 265 A HA 0.181 4.502 4.320 0.001 0.000 0.282 265 A C -0.417 177.196 177.584 0.048 0.000 0.964 265 A CA -0.684 51.387 52.037 0.057 0.000 1.045 265 A CB -0.130 18.895 19.000 0.042 0.000 1.174 265 A HN 0.061 nan 8.150 nan 0.000 0.493 266 K N 0.175 120.614 120.400 0.065 0.000 2.463 266 K HA 0.621 4.941 4.320 0.001 0.000 0.255 266 K C -3.293 173.329 176.600 0.037 0.000 0.942 266 K CA -1.798 54.502 56.287 0.022 0.000 0.814 266 K CB 1.706 34.189 32.500 -0.029 0.000 1.122 266 K HN -0.075 nan 8.250 nan 0.000 0.425 267 P HA 0.007 nan 4.420 nan 0.000 0.265 267 P C 0.075 177.399 177.300 0.040 0.000 1.193 267 P CA -0.051 63.069 63.100 0.032 0.000 0.765 267 P CB 0.678 32.380 31.700 0.004 0.000 0.823 268 E N 1.969 122.232 120.200 0.105 0.000 2.110 268 E HA -0.210 4.140 4.350 0.001 0.000 0.193 268 E C 1.864 178.513 176.600 0.082 0.000 0.988 268 E CA 1.430 57.921 56.400 0.152 0.000 0.804 268 E CB -0.265 29.531 29.700 0.159 0.000 0.745 268 E HN 0.532 nan 8.360 nan 0.000 0.458 269 A N 1.327 124.181 122.820 0.057 0.000 1.898 269 A HA -0.222 4.098 4.320 0.001 0.000 0.216 269 A C 2.086 179.712 177.584 0.070 0.000 1.181 269 A CA 1.582 53.651 52.037 0.055 0.000 0.620 269 A CB -0.319 18.700 19.000 0.032 0.000 0.819 269 A HN 0.105 nan 8.150 nan 0.000 0.442 270 E N -0.169 120.051 120.200 0.033 0.000 2.106 270 E HA -0.093 4.257 4.350 0.001 0.000 0.192 270 E C 1.822 178.494 176.600 0.120 0.000 0.984 270 E CA 1.369 57.799 56.400 0.050 0.000 0.806 270 E CB -0.278 29.403 29.700 -0.031 0.000 0.750 270 E HN 0.272 nan 8.360 nan 0.000 0.458 271 V N -0.172 119.728 119.914 -0.024 0.000 2.379 271 V HA -0.108 4.012 4.120 0.001 0.000 0.245 271 V C 2.284 178.350 176.094 -0.046 0.000 1.044 271 V CA 1.734 63.950 62.300 -0.141 0.000 1.036 271 V CB -0.955 30.569 31.823 -0.498 0.000 0.664 271 V HN 0.459 nan 8.190 nan 0.000 0.453 272 G N -1.107 107.707 108.800 0.024 0.000 2.432 272 G HA2 -0.323 3.637 3.960 0.001 0.000 0.219 272 G HA3 -0.323 3.637 3.960 0.001 0.000 0.219 272 G C 1.324 176.245 174.900 0.035 0.000 1.135 272 G CA 0.779 45.900 45.100 0.034 0.000 0.767 272 G HN 0.668 nan 8.290 nan 0.000 0.550 273 W N 0.810 122.064 121.300 -0.077 0.000 2.354 273 W HA 0.042 4.702 4.660 0.001 0.000 0.315 273 W C 2.168 178.622 176.519 -0.107 0.000 1.206 273 W CA 1.229 58.529 57.345 -0.074 0.000 1.290 273 W CB -0.534 28.888 29.460 -0.063 0.000 1.152 273 W HN 0.100 nan 8.180 nan 0.000 0.489 274 L N 0.540 121.568 121.223 -0.326 0.000 2.042 274 L HA -0.216 4.125 4.340 0.001 0.000 0.210 274 L C 2.531 179.042 176.870 -0.597 0.000 1.076 274 L CA 1.625 56.035 54.840 -0.718 0.000 0.749 274 L CB -0.873 41.005 42.059 -0.301 0.000 0.893 274 L HN 0.214 nan 8.230 nan 0.000 0.432 275 L N 0.118 121.137 121.223 -0.341 0.000 2.042 275 L HA -0.254 4.086 4.340 0.001 0.000 0.210 275 L C 2.320 179.023 176.870 -0.279 0.000 1.076 275 L CA 1.942 56.626 54.840 -0.260 0.000 0.749 275 L CB -0.532 41.447 42.059 -0.133 0.000 0.893 275 L HN 0.238 nan 8.230 nan 0.000 0.432 276 E N -0.492 119.536 120.200 -0.287 0.000 2.077 276 E HA -0.219 4.132 4.350 0.001 0.000 0.193 276 E C 2.266 178.681 176.600 -0.309 0.000 0.989 276 E CA 1.165 57.420 56.400 -0.241 0.000 0.800 276 E CB -0.060 29.528 29.700 -0.187 0.000 0.746 276 E HN 0.268 nan 8.360 nan 0.000 0.452 277 R N -0.328 119.868 120.500 -0.507 0.000 2.090 277 R HA 0.068 4.408 4.340 0.001 0.000 0.228 277 R C 2.301 178.330 176.300 -0.452 0.000 1.110 277 R CA 0.894 56.706 56.100 -0.481 0.000 0.973 277 R CB -0.452 29.429 30.300 -0.698 0.000 0.869 277 R HN 0.249 nan 8.270 nan 0.000 0.440 278 L N -0.291 120.583 121.223 -0.583 0.000 2.005 278 L HA -0.117 4.223 4.340 0.001 0.000 0.207 278 L C 2.060 178.789 176.870 -0.234 0.000 1.072 278 L CA 1.158 55.714 54.840 -0.474 0.000 0.744 278 L CB -0.530 41.248 42.059 -0.469 0.000 0.895 278 L HN 0.152 nan 8.230 nan 0.000 0.433 279 L N -0.134 120.968 121.223 -0.201 0.000 2.261 279 L HA -0.180 4.160 4.340 0.001 0.000 0.216 279 L C 1.841 178.658 176.870 -0.087 0.000 1.114 279 L CA 0.908 55.676 54.840 -0.121 0.000 0.777 279 L CB -0.439 41.556 42.059 -0.106 0.000 0.910 279 L HN 0.290 nan 8.230 nan 0.000 0.440 280 A N -1.228 121.533 122.820 -0.099 0.000 2.606 280 A HA 0.273 4.593 4.320 0.001 0.000 0.290 280 A C 0.766 178.333 177.584 -0.028 0.000 1.174 280 A CA -0.107 51.897 52.037 -0.056 0.000 0.958 280 A CB 0.059 19.025 19.000 -0.058 0.000 1.194 280 A HN 0.277 nan 8.150 nan 0.000 0.526 281 S N -1.028 114.660 115.700 -0.021 0.000 2.687 281 S HA 0.473 4.944 4.470 0.001 0.000 0.283 281 S C 0.770 175.406 174.600 0.061 0.000 1.170 281 S CA -0.642 57.588 58.200 0.050 0.000 1.008 281 S CB 1.060 64.341 63.200 0.135 0.000 1.026 281 S HN 0.374 nan 8.310 nan 0.000 0.541 282 R N 0.397 120.940 120.500 0.073 0.000 2.148 282 R HA 0.049 4.390 4.340 0.001 0.000 0.223 282 R C 2.409 178.784 176.300 0.125 0.000 1.088 282 R CA 0.974 57.120 56.100 0.076 0.000 0.985 282 R CB -0.777 29.548 30.300 0.041 0.000 0.880 282 R HN 0.803 nan 8.270 nan 0.000 0.451 283 A N 1.808 124.702 122.820 0.123 0.000 1.902 283 A HA -0.144 4.176 4.320 0.001 0.000 0.217 283 A C 2.062 179.766 177.584 0.200 0.000 1.181 283 A CA 0.970 53.105 52.037 0.164 0.000 0.623 283 A CB -0.469 18.630 19.000 0.165 0.000 0.818 283 A HN 0.234 nan 8.150 nan 0.000 0.443 284 L N -0.441 120.850 121.223 0.113 0.000 2.056 284 L HA -0.106 4.234 4.340 0.001 0.000 0.207 284 L C 2.581 179.498 176.870 0.078 0.000 1.078 284 L CA 2.392 57.270 54.840 0.063 0.000 0.749 284 L CB -1.273 40.788 42.059 0.003 0.000 0.901 284 L HN 0.395 nan 8.230 nan 0.000 0.433 285 A N -0.884 121.994 122.820 0.098 0.000 1.898 285 A HA -0.276 4.044 4.320 0.001 0.000 0.216 285 A C 2.045 179.705 177.584 0.128 0.000 1.181 285 A CA 1.459 53.550 52.037 0.088 0.000 0.620 285 A CB -1.187 17.864 19.000 0.086 0.000 0.819 285 A HN 0.692 nan 8.150 nan 0.000 0.442 286 W N 0.719 122.022 121.300 0.005 0.000 2.358 286 W HA -0.090 4.570 4.660 0.001 0.000 0.303 286 W C 2.422 178.955 176.519 0.022 0.000 1.208 286 W CA 2.061 59.416 57.345 0.016 0.000 1.274 286 W CB -0.201 29.268 29.460 0.016 0.000 1.138 286 W HN 0.346 nan 8.180 nan 0.000 0.515 287 A N 0.602 123.492 122.820 0.116 0.000 1.902 287 A HA -0.232 4.088 4.320 0.001 0.000 0.217 287 A C 1.949 179.451 177.584 -0.138 0.000 1.181 287 A CA 2.141 54.135 52.037 -0.072 0.000 0.623 287 A CB -0.743 18.278 19.000 0.036 0.000 0.818 287 A HN 0.389 nan 8.150 nan 0.000 0.443 288 K N -0.294 120.064 120.400 -0.071 0.000 2.057 288 K HA -0.058 4.262 4.320 0.001 0.000 0.207 288 K C 2.291 178.829 176.600 -0.103 0.000 1.049 288 K CA 1.157 57.403 56.287 -0.068 0.000 0.931 288 K CB -0.337 32.142 32.500 -0.034 0.000 0.714 288 K HN 0.441 nan 8.250 nan 0.000 0.440 289 A N 1.660 124.397 122.820 -0.139 0.000 1.930 289 A HA -0.174 4.147 4.320 0.001 0.000 0.217 289 A C 1.966 179.412 177.584 -0.230 0.000 1.175 289 A CA 1.330 53.272 52.037 -0.159 0.000 0.627 289 A CB -0.234 18.678 19.000 -0.147 0.000 0.815 289 A HN 0.156 nan 8.150 nan 0.000 0.443 290 E N 0.035 120.004 120.200 -0.384 0.000 2.077 290 E HA -0.150 4.200 4.350 0.001 0.000 0.193 290 E C 2.377 178.874 176.600 -0.172 0.000 0.989 290 E CA 1.273 57.449 56.400 -0.374 0.000 0.800 290 E CB -0.591 28.771 29.700 -0.564 0.000 0.746 290 E HN 0.567 nan 8.360 nan 0.000 0.452 291 A N 1.579 124.328 122.820 -0.118 0.000 1.902 291 A HA -0.216 4.104 4.320 0.001 0.000 0.217 291 A C 2.161 179.716 177.584 -0.048 0.000 1.181 291 A CA 1.898 53.908 52.037 -0.045 0.000 0.623 291 A CB -0.417 18.566 19.000 -0.028 0.000 0.818 291 A HN 0.159 nan 8.150 nan 0.000 0.443 292 K N -0.406 119.955 120.400 -0.064 0.000 2.057 292 K HA -0.174 4.146 4.320 0.001 0.000 0.207 292 K C 2.351 178.916 176.600 -0.057 0.000 1.049 292 K CA 1.434 57.690 56.287 -0.051 0.000 0.931 292 K CB -0.212 32.258 32.500 -0.051 0.000 0.714 292 K HN 0.460 nan 8.250 nan 0.000 0.440 293 R N 0.759 121.211 120.500 -0.080 0.000 2.070 293 R HA -0.122 4.218 4.340 0.001 0.000 0.233 293 R C 2.343 178.598 176.300 -0.075 0.000 1.137 293 R CA 1.569 57.621 56.100 -0.080 0.000 0.945 293 R CB -0.361 29.875 30.300 -0.105 0.000 0.845 293 R HN 0.211 nan 8.270 nan 0.000 0.430 294 L N 0.585 121.759 121.223 -0.083 0.000 2.083 294 L HA -0.202 4.138 4.340 0.001 0.000 0.209 294 L C 2.785 179.626 176.870 -0.050 0.000 1.083 294 L CA 1.384 56.179 54.840 -0.074 0.000 0.752 294 L CB -0.471 41.548 42.059 -0.067 0.000 0.899 294 L HN 0.311 nan 8.230 nan 0.000 0.433 295 Q N 0.282 120.061 119.800 -0.034 0.000 2.050 295 Q HA -0.172 4.168 4.340 0.001 0.000 0.202 295 Q C 2.215 178.193 176.000 -0.037 0.000 0.980 295 Q CA 2.191 57.980 55.803 -0.024 0.000 0.840 295 Q CB -0.298 28.433 28.738 -0.010 0.000 0.898 295 Q HN 0.425 nan 8.270 nan 0.000 0.424 296 A N 0.283 123.078 122.820 -0.040 0.000 1.902 296 A HA -0.205 4.115 4.320 0.001 0.000 0.217 296 A C 1.958 179.511 177.584 -0.052 0.000 1.181 296 A CA 1.682 53.693 52.037 -0.043 0.000 0.623 296 A CB -0.596 18.381 19.000 -0.039 0.000 0.818 296 A HN 0.559 nan 8.150 nan 0.000 0.443 297 E N -0.678 119.489 120.200 -0.056 0.000 2.072 297 E HA -0.100 4.251 4.350 0.001 0.000 0.191 297 E C 2.181 178.739 176.600 -0.070 0.000 0.985 297 E CA 0.736 57.100 56.400 -0.060 0.000 0.801 297 E CB -0.386 29.276 29.700 -0.063 0.000 0.750 297 E HN 0.602 nan 8.360 nan 0.000 0.452 298 G N 1.482 110.240 108.800 -0.070 0.000 2.446 298 G HA2 -0.252 3.709 3.960 0.001 0.000 0.217 298 G HA3 -0.252 3.709 3.960 0.001 0.000 0.217 298 G C 1.599 176.428 174.900 -0.118 0.000 1.168 298 G CA 0.606 45.656 45.100 -0.084 0.000 0.771 298 G HN 0.077 nan 8.290 nan 0.000 0.551 299 L N 0.668 121.829 121.223 -0.104 0.000 2.046 299 L HA -0.039 4.301 4.340 0.001 0.000 0.208 299 L C 3.413 180.194 176.870 -0.149 0.000 1.077 299 L CA 0.982 55.744 54.840 -0.130 0.000 0.747 299 L CB -0.437 41.577 42.059 -0.075 0.000 0.896 299 L HN 0.304 nan 8.230 nan 0.000 0.432 300 A N 0.076 122.833 122.820 -0.104 0.000 1.933 300 A HA -0.160 4.160 4.320 0.001 0.000 0.218 300 A C 2.261 179.781 177.584 -0.107 0.000 1.175 300 A CA 1.390 53.373 52.037 -0.090 0.000 0.628 300 A CB -0.659 18.303 19.000 -0.063 0.000 0.814 300 A HN 0.367 nan 8.150 nan 0.000 0.444 301 L N -0.917 120.238 121.223 -0.114 0.000 2.141 301 L HA -0.102 4.238 4.340 0.001 0.000 0.209 301 L C 2.158 178.939 176.870 -0.149 0.000 1.094 301 L CA 0.820 55.598 54.840 -0.103 0.000 0.763 301 L CB -0.269 41.741 42.059 -0.081 0.000 0.908 301 L HN 0.371 nan 8.230 nan 0.000 0.437 302 L N -1.296 119.758 121.223 -0.282 0.000 2.446 302 L HA -0.042 4.298 4.340 0.001 0.000 0.219 302 L C 2.309 178.837 176.870 -0.570 0.000 1.116 302 L CA -0.085 54.429 54.840 -0.544 0.000 0.844 302 L CB -0.209 41.224 42.059 -1.045 0.000 0.970 302 L HN 0.133 nan 8.230 nan 0.000 0.457 303 E N 1.477 121.490 120.200 -0.312 0.000 2.049 303 E HA -0.260 4.091 4.350 0.001 0.000 0.198 303 E C 2.217 178.797 176.600 -0.034 0.000 1.007 303 E CA 1.986 58.300 56.400 -0.143 0.000 0.809 303 E CB -0.159 29.494 29.700 -0.078 0.000 0.749 303 E HN 0.358 nan 8.360 nan 0.000 0.450 304 A N 0.739 123.540 122.820 -0.031 0.000 1.873 304 A HA -0.163 4.157 4.320 0.001 0.000 0.218 304 A C 2.483 180.104 177.584 0.062 0.000 1.193 304 A CA 2.865 54.909 52.037 0.012 0.000 0.629 304 A CB -1.271 17.729 19.000 -0.001 0.000 0.826 304 A HN 0.410 nan 8.150 nan 0.000 0.447 305 A N -1.307 121.564 122.820 0.085 0.000 1.902 305 A HA 0.017 4.338 4.320 0.001 0.000 0.217 305 A C 1.955 179.734 177.584 0.326 0.000 1.181 305 A CA 1.629 53.784 52.037 0.195 0.000 0.623 305 A CB -0.716 18.459 19.000 0.292 0.000 0.818 305 A HN 0.432 nan 8.150 nan 0.000 0.443 306 F N 0.354 120.337 119.950 0.055 0.000 2.134 306 F HA -0.163 4.364 4.527 0.001 0.000 0.299 306 F C 2.608 178.393 175.800 -0.025 0.000 1.097 306 F CA 1.303 59.298 58.000 -0.008 0.000 1.264 306 F CB -1.155 37.828 39.000 -0.028 0.000 1.001 306 F HN 0.362 nan 8.300 nan 0.000 0.479 307 Q N -0.797 119.118 119.800 0.190 0.000 2.364 307 Q HA -0.181 4.160 4.340 0.001 0.000 0.209 307 Q C 1.270 177.303 176.000 0.055 0.000 0.977 307 Q CA 1.099 56.956 55.803 0.090 0.000 0.885 307 Q CB -0.144 28.631 28.738 0.062 0.000 0.941 307 Q HN 0.363 nan 8.270 nan 0.000 0.464 308 D N -0.336 120.103 120.400 0.066 0.000 2.349 308 D HA 0.094 4.734 4.640 0.001 0.000 0.214 308 D C -0.014 176.296 176.300 0.017 0.000 1.063 308 D CA 0.014 54.038 54.000 0.040 0.000 0.847 308 D CB 0.474 41.303 40.800 0.048 0.000 0.933 308 D HN 0.167 nan 8.370 nan 0.000 0.513 309 L N 2.057 123.274 121.223 -0.010 0.000 2.456 309 L HA 0.091 4.432 4.340 0.001 0.000 0.272 309 L C -0.912 175.924 176.870 -0.057 0.000 1.189 309 L CA -1.012 53.780 54.840 -0.080 0.000 0.846 309 L CB 0.663 42.589 42.059 -0.221 0.000 1.111 309 L HN -0.122 nan 8.230 nan 0.000 0.475 310 P HA -0.033 nan 4.420 nan 0.000 0.221 310 P C 0.687 177.975 177.300 -0.021 0.000 1.155 310 P CA 0.578 63.668 63.100 -0.017 0.000 0.812 310 P CB 0.273 31.976 31.700 0.005 0.000 0.801 311 G N 1.695 110.474 108.800 -0.035 0.000 2.915 311 G HA2 0.070 4.031 3.960 0.001 0.000 0.298 311 G HA3 0.070 4.031 3.960 0.001 0.000 0.298 311 G C 0.993 175.869 174.900 -0.041 0.000 0.837 311 G CA -0.376 44.711 45.100 -0.022 0.000 1.752 311 G HN -0.051 nan 8.290 nan 0.000 0.526 312 K N 1.246 121.626 120.400 -0.033 0.000 2.063 312 K HA -0.145 4.175 4.320 0.001 0.000 0.208 312 K C 1.885 178.460 176.600 -0.041 0.000 1.048 312 K CA 1.149 57.411 56.287 -0.043 0.000 0.928 312 K CB -0.076 32.406 32.500 -0.029 0.000 0.713 312 K HN 0.679 nan 8.250 nan 0.000 0.442 313 E N 0.563 120.757 120.200 -0.011 0.000 2.072 313 E HA -0.125 4.226 4.350 0.001 0.000 0.191 313 E C 1.888 178.518 176.600 0.050 0.000 0.985 313 E CA 1.007 57.416 56.400 0.014 0.000 0.801 313 E CB 0.004 29.733 29.700 0.047 0.000 0.750 313 E HN 0.265 nan 8.360 nan 0.000 0.452 314 A N 0.935 123.785 122.820 0.049 0.000 1.930 314 A HA -0.138 4.182 4.320 0.001 0.000 0.217 314 A C 2.099 179.653 177.584 -0.050 0.000 1.175 314 A CA 1.065 53.143 52.037 0.068 0.000 0.627 314 A CB -0.550 18.520 19.000 0.116 0.000 0.815 314 A HN 0.385 nan 8.150 nan 0.000 0.443 315 L N 0.297 121.454 121.223 -0.109 0.000 2.083 315 L HA -0.156 4.185 4.340 0.001 0.000 0.209 315 L C 1.888 178.641 176.870 -0.196 0.000 1.083 315 L CA 2.623 57.336 54.840 -0.212 0.000 0.752 315 L CB -0.682 41.246 42.059 -0.219 0.000 0.899 315 L HN 0.446 nan 8.230 nan 0.000 0.433 316 D N -1.217 119.085 120.400 -0.163 0.000 2.092 316 D HA -0.255 4.385 4.640 0.001 0.000 0.193 316 D C 2.103 178.228 176.300 -0.291 0.000 0.994 316 D CA 1.624 55.499 54.000 -0.208 0.000 0.828 316 D CB -0.157 40.505 40.800 -0.230 0.000 0.963 316 D HN 0.519 nan 8.370 nan 0.000 0.450 317 H N -0.570 118.278 119.070 -0.370 0.000 2.353 317 H HA -0.101 4.455 4.556 0.000 0.000 0.300 317 H C 2.208 177.290 175.328 -0.410 0.000 1.090 317 H CA 1.096 56.804 56.048 -0.567 0.000 1.327 317 H CB -0.278 28.668 29.762 -1.360 0.000 1.383 317 H HN 0.191 nan 8.280 nan 0.000 0.508 318 L N 1.412 122.516 121.223 -0.198 0.000 2.017 318 L HA -0.161 4.179 4.340 0.001 0.000 0.208 318 L C 2.542 179.345 176.870 -0.112 0.000 1.073 318 L CA 1.498 56.259 54.840 -0.131 0.000 0.745 318 L CB -0.394 41.535 42.059 -0.217 0.000 0.894 318 L HN -0.008 nan 8.230 nan 0.000 0.432 319 R N -0.687 119.738 120.500 -0.125 0.000 2.091 319 R HA -0.133 4.207 4.340 0.001 0.000 0.238 319 R C 2.214 178.489 176.300 -0.042 0.000 1.136 319 R CA 1.268 57.348 56.100 -0.033 0.000 0.959 319 R CB -1.058 29.227 30.300 -0.025 0.000 0.856 319 R HN 0.598 nan 8.270 nan 0.000 0.437 320 G N 1.013 109.758 108.800 -0.092 0.000 2.418 320 G HA2 -0.229 3.731 3.960 0.001 0.000 0.217 320 G HA3 -0.229 3.731 3.960 0.001 0.000 0.217 320 G C 1.419 176.290 174.900 -0.048 0.000 1.158 320 G CA 0.527 45.578 45.100 -0.083 0.000 0.771 320 G HN 0.142 nan 8.290 nan 0.000 0.545 321 L N -0.155 121.043 121.223 -0.042 0.000 2.093 321 L HA 0.068 4.409 4.340 0.001 0.000 0.208 321 L C 2.813 179.663 176.870 -0.034 0.000 1.085 321 L CA 0.387 55.214 54.840 -0.021 0.000 0.755 321 L CB -0.288 41.774 42.059 0.005 0.000 0.904 321 L HN 0.180 nan 8.230 nan 0.000 0.435 322 L N -0.589 120.618 121.223 -0.027 0.000 2.156 322 L HA -0.105 4.236 4.340 0.001 0.000 0.208 322 L C 2.789 179.654 176.870 -0.008 0.000 1.095 322 L CA 0.812 55.638 54.840 -0.023 0.000 0.770 322 L CB -0.608 41.462 42.059 0.018 0.000 0.914 322 L HN 0.216 nan 8.230 nan 0.000 0.439 323 A N -0.024 122.794 122.820 -0.003 0.000 1.968 323 A HA -0.008 4.313 4.320 0.001 0.000 0.217 323 A C 2.386 179.978 177.584 0.013 0.000 1.169 323 A CA 1.447 53.486 52.037 0.003 0.000 0.638 323 A CB -0.364 18.632 19.000 -0.006 0.000 0.812 323 A HN 0.375 nan 8.150 nan 0.000 0.446 324 A N -0.791 122.036 122.820 0.011 0.000 1.858 324 A HA 0.468 4.788 4.320 0.001 0.000 0.215 324 A C 1.021 178.648 177.584 0.072 0.000 1.320 324 A CA 0.874 52.929 52.037 0.031 0.000 0.601 324 A CB -0.817 18.195 19.000 0.020 0.000 0.976 324 A HN 0.803 nan 8.150 nan 0.000 0.470 325 L N 0.000 121.252 121.223 0.048 0.000 2.949 325 L HA 0.000 4.340 4.340 0.001 0.000 0.249 325 L CA 0.000 54.884 54.840 0.074 0.000 0.813 325 L CB 0.000 42.096 42.059 0.061 0.000 0.961 325 L HN 0.000 nan 8.230 nan 0.000 0.502