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 2v0y_1_A DATA FIRST_RESID 5 DATA SEQUENCE KHLPEPFRIR VIEPVKRTTR AYREEAIIKS GMNPFLLDSE DVFIDLLTDS DATA SEQUENCE GTGAVTQSMQ AAMMRGDEAY SGSRSYYALA ESVKNIFGYQ YTIPTHQGRG DATA SEQUENCE AEQIYIPVLI KKREQEKGLD RSKMVAFSNY FFDTTQGHSQ INGCTVRNVY DATA SEQUENCE IKEAFDTGVR YDFKGNFDLE GLERGIEEVG PNNVPYIVAT ITSNSAGGQP DATA SEQUENCE VSLANLKAMY SIAKKYDIPV VMDSARFAEN AYFIKQREAE YKDWTIEQIT DATA SEQUENCE RETYKYADML AMSAKKDAMV PMGGLLCMKD DSFFDVYTEC RTLSVVQEGF DATA SEQUENCE PTYGGLEGGA MERLAVGLYD GMNLDWLAYR IAQVQYLVDG LEEIGVVXQQ DATA SEQUENCE AGGHAAFVDA GKLLPHIPAD QFPAQALACE LYKVAGIRAV EIGSFLLGRD DATA SEQUENCE PKTGKQLPCP AELLRLTIPR ATYTQTHMDF IIEAFKHVKE NAANIKGLTF DATA SEQUENCE TYEPKVLRHF TAKLKEV 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.682 176.600 0.137 0.000 0.988 5 K CA 0.000 56.401 56.287 0.189 0.000 0.838 5 K CB 0.000 32.562 32.500 0.104 0.000 1.064 6 H N 4.415 123.451 119.070 -0.057 0.000 2.742 6 H HA 0.317 4.872 4.556 -0.001 0.000 0.302 6 H C -0.279 174.974 175.328 -0.125 0.000 1.069 6 H CA -0.219 55.660 56.048 -0.282 0.000 1.446 6 H CB 0.547 29.849 29.762 -0.768 0.000 1.462 6 H HN 0.364 nan 8.280 nan 0.000 0.499 7 L N 7.730 128.893 121.223 -0.100 0.000 2.436 7 L HA 0.256 4.596 4.340 -0.001 0.000 0.265 7 L C -1.758 175.277 176.870 0.275 0.000 1.168 7 L CA -2.004 52.884 54.840 0.079 0.000 0.815 7 L CB 0.636 42.729 42.059 0.056 0.000 1.109 7 L HN 0.647 nan 8.230 nan 0.000 0.462 8 P HA 0.085 nan 4.420 nan 0.000 0.275 8 P C -1.033 176.199 177.300 -0.113 0.000 1.228 8 P CA -0.551 62.582 63.100 0.055 0.000 0.786 8 P CB 0.702 32.389 31.700 -0.020 0.000 0.927 9 E N 3.446 123.390 120.200 -0.427 0.000 2.417 9 E HA 0.057 4.407 4.350 -0.001 0.000 0.261 9 E C -1.554 174.524 176.600 -0.870 0.000 1.000 9 E CA -1.059 54.625 56.400 -1.193 0.000 0.919 9 E CB -0.374 28.311 29.700 -1.691 0.000 0.955 9 E HN 0.341 nan 8.360 nan 0.000 0.455 10 P HA 0.118 nan 4.420 nan 0.000 0.220 10 P C -1.198 176.090 177.300 -0.020 0.000 1.778 10 P CA -0.103 62.884 63.100 -0.189 0.000 0.912 10 P CB -0.684 31.025 31.700 0.015 0.000 1.861 11 F N -2.823 117.055 119.950 -0.120 0.000 2.829 11 F HA 0.507 5.033 4.527 -0.001 0.000 0.319 11 F C -1.299 174.446 175.800 -0.091 0.000 1.153 11 F CA -1.556 56.383 58.000 -0.103 0.000 0.912 11 F CB 0.827 39.751 39.000 -0.127 0.000 1.292 11 F HN -0.336 nan 8.300 nan 0.000 0.447 12 R N 1.575 122.219 120.500 0.239 0.000 2.460 12 R HA 0.701 5.040 4.340 -0.001 0.000 0.303 12 R C -0.842 175.591 176.300 0.221 0.000 0.968 12 R CA -0.929 55.256 56.100 0.142 0.000 0.889 12 R CB 1.924 32.259 30.300 0.059 0.000 1.123 12 R HN 0.651 nan 8.270 nan 0.000 0.455 13 I N 3.339 124.021 120.570 0.188 0.000 2.556 13 I HA 0.014 4.183 4.170 -0.001 0.000 0.284 13 I C 1.349 177.495 176.117 0.049 0.000 1.114 13 I CA 0.271 61.652 61.300 0.134 0.000 1.418 13 I CB 0.623 38.694 38.000 0.119 0.000 1.394 13 I HN 0.503 nan 8.210 nan 0.000 0.552 14 R N 4.217 124.719 120.500 0.004 0.000 2.310 14 R HA 0.352 4.691 4.340 -0.001 0.000 0.199 14 R C -0.536 175.752 176.300 -0.021 0.000 0.891 14 R CA 0.432 56.525 56.100 -0.012 0.000 1.060 14 R CB 0.660 30.942 30.300 -0.031 0.000 1.188 14 R HN 0.397 nan 8.270 nan 0.000 0.607 15 V N 3.309 123.203 119.914 -0.033 0.000 2.686 15 V HA 0.474 4.593 4.120 -0.001 0.000 0.306 15 V C -0.242 175.833 176.094 -0.031 0.000 1.065 15 V CA -1.035 61.246 62.300 -0.032 0.000 0.894 15 V CB 2.615 34.412 31.823 -0.044 0.000 1.004 15 V HN 0.138 nan 8.190 nan 0.000 0.424 16 I N 0.592 121.152 120.570 -0.017 0.000 2.740 16 I HA 0.763 4.933 4.170 -0.001 0.000 0.303 16 I C -0.503 175.608 176.117 -0.010 0.000 1.044 16 I CA -0.651 60.642 61.300 -0.012 0.000 1.064 16 I CB 2.381 40.387 38.000 0.010 0.000 1.249 16 I HN 0.760 nan 8.210 nan 0.000 0.433 17 E N 5.640 125.834 120.200 -0.011 0.000 2.102 17 E HA 0.486 4.836 4.350 -0.001 0.000 0.263 17 E C -2.427 174.186 176.600 0.022 0.000 0.894 17 E CA -1.889 54.511 56.400 -0.001 0.000 0.746 17 E CB 0.975 30.667 29.700 -0.014 0.000 1.129 17 E HN 0.518 nan 8.360 nan 0.000 0.416 18 P HA -0.011 nan 4.420 nan 0.000 0.264 18 P C -1.287 176.052 177.300 0.066 0.000 1.183 18 P CA -0.178 62.950 63.100 0.046 0.000 0.763 18 P CB 0.754 32.473 31.700 0.030 0.000 0.807 19 V N 3.718 123.694 119.914 0.102 0.000 2.525 19 V HA 0.233 4.352 4.120 -0.001 0.000 0.299 19 V C 0.286 176.445 176.094 0.109 0.000 1.034 19 V CA -0.915 61.469 62.300 0.141 0.000 0.863 19 V CB 1.673 33.643 31.823 0.245 0.000 0.999 19 V HN 0.559 nan 8.190 nan 0.000 0.423 20 K N 4.272 124.701 120.400 0.048 0.000 2.326 20 K HA 0.469 4.788 4.320 -0.001 0.000 0.275 20 K C -0.432 176.100 176.600 -0.113 0.000 1.018 20 K CA -0.667 55.596 56.287 -0.039 0.000 0.962 20 K CB 0.938 33.392 32.500 -0.077 0.000 0.953 20 K HN 0.324 nan 8.250 nan 0.000 0.475 21 R N 2.312 122.693 120.500 -0.198 0.000 2.234 21 R HA 0.163 4.502 4.340 -0.001 0.000 0.324 21 R C -0.108 176.031 176.300 -0.268 0.000 1.054 21 R CA -0.354 55.550 56.100 -0.328 0.000 0.912 21 R CB 1.018 31.120 30.300 -0.330 0.000 1.030 21 R HN 0.956 nan 8.270 nan 0.000 0.455 22 T N -1.510 112.883 114.554 -0.269 0.000 2.944 22 T HA 0.468 4.817 4.350 -0.001 0.000 0.284 22 T C 0.556 175.164 174.700 -0.154 0.000 1.010 22 T CA -0.748 61.193 62.100 -0.265 0.000 1.025 22 T CB 1.443 70.168 68.868 -0.238 0.000 1.079 22 T HN 0.516 nan 8.240 nan 0.000 0.516 23 T N -1.037 113.469 114.554 -0.080 0.000 2.902 23 T HA 0.409 4.758 4.350 -0.001 0.000 0.280 23 T C 1.194 175.907 174.700 0.021 0.000 0.992 23 T CA -0.870 61.219 62.100 -0.019 0.000 1.015 23 T CB 1.508 70.388 68.868 0.019 0.000 1.044 23 T HN 0.636 nan 8.240 nan 0.000 0.520 24 R N 1.437 121.932 120.500 -0.008 0.000 2.073 24 R HA 0.018 4.358 4.340 -0.001 0.000 0.234 24 R C 2.492 178.806 176.300 0.022 0.000 1.134 24 R CA 2.166 58.254 56.100 -0.020 0.000 0.952 24 R CB -1.486 28.792 30.300 -0.037 0.000 0.850 24 R HN 0.850 nan 8.270 nan 0.000 0.433 25 A N -0.476 122.368 122.820 0.041 0.000 1.908 25 A HA -0.230 4.090 4.320 -0.001 0.000 0.218 25 A C 2.259 179.892 177.584 0.081 0.000 1.181 25 A CA 1.677 53.743 52.037 0.050 0.000 0.627 25 A CB -1.094 17.935 19.000 0.048 0.000 0.818 25 A HN 0.618 nan 8.150 nan 0.000 0.445 26 Y N 0.334 120.632 120.300 -0.004 0.000 2.181 26 Y HA -0.217 4.332 4.550 -0.001 0.000 0.288 26 Y C 2.582 178.508 175.900 0.042 0.000 1.146 26 Y CA 2.128 60.238 58.100 0.017 0.000 1.164 26 Y CB -0.154 38.312 38.460 0.010 0.000 0.982 26 Y HN 0.236 nan 8.280 nan 0.000 0.515 27 R N 0.015 120.654 120.500 0.232 0.000 2.092 27 R HA -0.133 4.206 4.340 -0.001 0.000 0.231 27 R C 2.085 178.461 176.300 0.126 0.000 1.119 27 R CA 1.325 57.518 56.100 0.155 0.000 0.970 27 R CB -0.255 29.950 30.300 -0.160 0.000 0.864 27 R HN 0.421 nan 8.270 nan 0.000 0.440 28 E N 1.020 121.252 120.200 0.052 0.000 2.085 28 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 28 E C 1.839 178.455 176.600 0.026 0.000 0.994 28 E CA 1.326 57.752 56.400 0.043 0.000 0.801 28 E CB -0.019 29.694 29.700 0.020 0.000 0.743 28 E HN 0.482 nan 8.360 nan 0.000 0.453 29 E N 0.559 120.743 120.200 -0.027 0.000 2.072 29 E HA -0.107 4.242 4.350 -0.001 0.000 0.191 29 E C 2.090 178.642 176.600 -0.080 0.000 0.985 29 E CA 0.830 57.186 56.400 -0.073 0.000 0.801 29 E CB -0.089 29.525 29.700 -0.144 0.000 0.750 29 E HN 0.184 nan 8.360 nan 0.000 0.452 30 A N 1.411 124.173 122.820 -0.097 0.000 1.883 30 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 30 A C 2.201 179.801 177.584 0.026 0.000 1.186 30 A CA 1.201 53.214 52.037 -0.040 0.000 0.624 30 A CB -0.518 18.532 19.000 0.083 0.000 0.822 30 A HN 0.224 nan 8.150 nan 0.000 0.444 31 I N -0.060 120.580 120.570 0.117 0.000 2.361 31 I HA -0.187 3.982 4.170 -0.001 0.000 0.251 31 I C 2.111 178.244 176.117 0.026 0.000 1.133 31 I CA 1.034 62.373 61.300 0.064 0.000 1.413 31 I CB -0.215 37.892 38.000 0.179 0.000 1.073 31 I HN 0.385 nan 8.210 nan 0.000 0.424 32 I N -0.031 120.555 120.570 0.026 0.000 2.252 32 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 32 I C 2.335 178.458 176.117 0.009 0.000 1.102 32 I CA 1.137 62.446 61.300 0.015 0.000 1.385 32 I CB -0.425 37.581 38.000 0.010 0.000 1.064 32 I HN 0.127 nan 8.210 nan 0.000 0.414 33 K N 0.616 121.012 120.400 -0.006 0.000 2.152 33 K HA -0.158 4.161 4.320 -0.001 0.000 0.206 33 K C 1.946 178.550 176.600 0.006 0.000 1.048 33 K CA 1.821 58.103 56.287 -0.008 0.000 0.933 33 K CB -0.228 32.254 32.500 -0.029 0.000 0.721 33 K HN 0.369 nan 8.250 nan 0.000 0.447 34 S N -0.254 115.448 115.700 0.004 0.000 2.650 34 S HA 0.092 4.561 4.470 -0.001 0.000 0.219 34 S C 1.097 175.725 174.600 0.047 0.000 0.960 34 S CA 0.243 58.454 58.200 0.017 0.000 0.925 34 S CB 0.073 63.259 63.200 -0.023 0.000 0.775 34 S HN 0.403 nan 8.310 nan 0.000 0.525 35 G N 2.270 111.097 108.800 0.045 0.000 2.295 35 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.287 35 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.287 35 G C 0.447 175.370 174.900 0.039 0.000 1.055 35 G CA 0.069 45.208 45.100 0.065 0.000 0.922 35 G HN 0.656 nan 8.290 nan 0.000 0.503 36 M N -1.493 118.112 119.600 0.008 0.000 2.302 36 M HA -0.163 4.316 4.480 -0.001 0.000 0.200 36 M C 0.090 176.353 176.300 -0.061 0.000 0.366 36 M CA 1.578 56.860 55.300 -0.030 0.000 0.440 36 M CB -2.278 30.292 32.600 -0.049 0.000 1.475 36 M HN 0.821 nan 8.290 nan 0.000 0.905 37 N N 0.026 118.720 118.700 -0.010 0.000 2.581 37 N HA 0.428 5.167 4.740 -0.001 0.000 0.279 37 N C -2.122 173.411 175.510 0.038 0.000 1.124 37 N CA -1.602 51.477 53.050 0.049 0.000 0.833 37 N CB 1.656 40.258 38.487 0.192 0.000 1.338 37 N HN -0.182 nan 8.380 nan 0.000 0.533 38 P HA -0.058 nan 4.420 nan 0.000 0.218 38 P C 0.994 178.251 177.300 -0.071 0.000 1.146 38 P CA 1.111 64.111 63.100 -0.167 0.000 0.813 38 P CB 0.028 31.595 31.700 -0.221 0.000 0.778 39 F N -1.806 118.195 119.950 0.085 0.000 2.307 39 F HA -0.142 4.384 4.527 -0.001 0.000 0.301 39 F C 1.639 177.484 175.800 0.076 0.000 1.076 39 F CA 0.495 58.573 58.000 0.129 0.000 1.383 39 F CB -0.319 38.829 39.000 0.246 0.000 1.055 39 F HN -0.123 nan 8.300 nan 0.000 0.526 40 L N -0.097 121.260 121.223 0.225 0.000 2.592 40 L HA 0.177 4.516 4.340 -0.001 0.000 0.227 40 L C 0.304 177.204 176.870 0.051 0.000 1.127 40 L CA 0.337 55.257 54.840 0.133 0.000 0.884 40 L CB -0.893 41.243 42.059 0.128 0.000 1.065 40 L HN -0.055 nan 8.230 nan 0.000 0.457 41 L N -0.340 120.882 121.223 -0.002 0.000 2.395 41 L HA 0.180 4.519 4.340 -0.001 0.000 0.269 41 L C 0.143 177.020 176.870 0.012 0.000 1.133 41 L CA -0.568 54.239 54.840 -0.054 0.000 0.812 41 L CB 0.537 42.466 42.059 -0.217 0.000 1.125 41 L HN 0.015 nan 8.230 nan 0.000 0.452 42 D N 0.614 121.038 120.400 0.041 0.000 2.382 42 D HA -0.020 4.620 4.640 -0.001 0.000 0.245 42 D C 0.938 177.287 176.300 0.082 0.000 1.120 42 D CA 0.111 54.151 54.000 0.068 0.000 0.890 42 D CB 1.691 42.544 40.800 0.088 0.000 1.201 42 D HN 0.515 nan 8.370 nan 0.000 0.433 43 S N 1.975 117.722 115.700 0.078 0.000 2.387 43 S HA -0.222 4.247 4.470 -0.001 0.000 0.230 43 S C 1.347 176.015 174.600 0.113 0.000 1.035 43 S CA 1.434 59.687 58.200 0.088 0.000 1.014 43 S CB -0.054 63.190 63.200 0.074 0.000 0.836 43 S HN 0.441 nan 8.310 nan 0.000 0.466 44 E N 0.077 120.342 120.200 0.109 0.000 2.265 44 E HA -0.119 4.231 4.350 -0.001 0.000 0.196 44 E C 0.868 177.560 176.600 0.153 0.000 0.996 44 E CA 1.125 57.595 56.400 0.116 0.000 0.832 44 E CB -0.093 29.664 29.700 0.096 0.000 0.756 44 E HN 0.568 nan 8.360 nan 0.000 0.491 45 D N -0.018 120.503 120.400 0.202 0.000 2.339 45 D HA 0.026 4.665 4.640 -0.001 0.000 0.217 45 D C -0.366 176.169 176.300 0.392 0.000 1.050 45 D CA 0.241 54.425 54.000 0.307 0.000 0.856 45 D CB 0.673 41.708 40.800 0.391 0.000 0.922 45 D HN -0.082 nan 8.370 nan 0.000 0.518 46 V N 2.237 122.334 119.914 0.305 0.000 2.347 46 V HA 0.089 4.208 4.120 -0.001 0.000 0.280 46 V C 0.732 177.017 176.094 0.318 0.000 1.021 46 V CA -0.655 61.855 62.300 0.349 0.000 0.847 46 V CB 1.489 33.438 31.823 0.211 0.000 0.990 46 V HN -0.064 nan 8.190 nan 0.000 0.444 47 F N 6.212 126.249 119.950 0.144 0.000 2.149 47 F HA 0.264 4.790 4.527 -0.001 0.000 0.294 47 F C 0.795 176.623 175.800 0.047 0.000 1.095 47 F CA 1.080 59.124 58.000 0.073 0.000 1.276 47 F CB 0.362 39.378 39.000 0.027 0.000 1.023 47 F HN 0.292 nan 8.300 nan 0.000 0.480 48 I N 1.399 121.864 120.570 -0.176 0.000 2.448 48 I HA 0.167 4.337 4.170 -0.001 0.000 0.281 48 I C -1.173 174.821 176.117 -0.206 0.000 1.027 48 I CA -0.725 60.266 61.300 -0.515 0.000 1.111 48 I CB 1.153 38.749 38.000 -0.673 0.000 1.236 48 I HN -0.184 nan 8.210 nan 0.000 0.452 49 D N 7.370 127.737 120.400 -0.055 0.000 2.411 49 D HA 0.292 4.931 4.640 -0.001 0.000 0.225 49 D C 0.391 176.724 176.300 0.054 0.000 1.156 49 D CA -0.042 53.987 54.000 0.050 0.000 0.874 49 D CB 1.074 41.947 40.800 0.121 0.000 1.034 49 D HN 0.463 nan 8.370 nan 0.000 0.502 50 L N 4.244 125.471 121.223 0.007 0.000 2.791 50 L HA 0.179 4.519 4.340 -0.001 0.000 0.239 50 L C 2.111 179.005 176.870 0.041 0.000 1.203 50 L CA -0.225 54.630 54.840 0.026 0.000 1.002 50 L CB 0.190 42.248 42.059 -0.000 0.000 1.295 50 L HN 0.349 nan 8.230 nan 0.000 0.504 51 L N -0.330 120.919 121.223 0.043 0.000 1.990 51 L HA -0.117 4.223 4.340 -0.001 0.000 0.213 51 L C 1.028 177.961 176.870 0.106 0.000 1.072 51 L CA 1.618 56.486 54.840 0.046 0.000 0.755 51 L CB 0.239 42.329 42.059 0.050 0.000 0.889 51 L HN 0.390 nan 8.230 nan 0.000 0.432 52 T N -2.530 112.095 114.554 0.119 0.000 2.840 52 T HA 0.162 4.512 4.350 -0.001 0.000 0.317 52 T C -0.846 173.927 174.700 0.123 0.000 1.401 52 T CA -0.222 61.958 62.100 0.134 0.000 1.028 52 T CB 1.275 70.242 68.868 0.164 0.000 1.317 52 T HN 0.370 nan 8.240 nan 0.000 0.495 53 D N 0.953 121.425 120.400 0.120 0.000 2.395 53 D HA 0.165 4.804 4.640 -0.001 0.000 0.213 53 D C 0.543 176.904 176.300 0.102 0.000 1.110 53 D CA -0.179 53.888 54.000 0.112 0.000 0.835 53 D CB 0.213 41.079 40.800 0.109 0.000 0.965 53 D HN 0.265 nan 8.370 nan 0.000 0.505 54 S N 0.151 115.917 115.700 0.109 0.000 2.405 54 S HA 0.435 4.904 4.470 -0.001 0.000 0.291 54 S C 1.389 176.038 174.600 0.082 0.000 1.137 54 S CA 0.384 58.644 58.200 0.100 0.000 1.061 54 S CB -0.497 62.775 63.200 0.119 0.000 1.001 54 S HN 0.549 nan 8.310 nan 0.000 0.507 55 G N 3.794 112.633 108.800 0.066 0.000 2.168 55 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.263 55 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.263 55 G C 0.634 175.556 174.900 0.036 0.000 0.977 55 G CA 0.841 45.969 45.100 0.048 0.000 0.659 55 G HN 1.207 nan 8.290 nan 0.000 0.533 56 T N -1.925 112.655 114.554 0.043 0.000 3.092 56 T HA 0.558 4.907 4.350 -0.001 0.000 0.258 56 T C 1.320 176.019 174.700 -0.002 0.000 1.031 56 T CA 0.918 63.035 62.100 0.029 0.000 0.925 56 T CB 1.062 69.965 68.868 0.057 0.000 1.036 56 T HN 1.224 nan 8.240 nan 0.000 0.544 57 G N 0.892 109.691 108.800 -0.002 0.000 2.547 57 G HA2 0.630 4.589 3.960 -0.001 0.000 0.291 57 G HA3 0.630 4.589 3.960 -0.001 0.000 0.291 57 G C 0.028 174.872 174.900 -0.094 0.000 1.211 57 G CA -0.499 44.582 45.100 -0.032 0.000 0.950 57 G HN 0.587 nan 8.290 nan 0.000 0.504 58 A N -1.284 121.443 122.820 -0.156 0.000 2.272 58 A HA 0.699 5.018 4.320 -0.001 0.000 0.275 58 A C 0.385 177.822 177.584 -0.246 0.000 1.096 58 A CA 0.160 52.071 52.037 -0.210 0.000 0.822 58 A CB 0.730 19.562 19.000 -0.279 0.000 1.088 58 A HN 1.868 nan 8.150 nan 0.000 0.495 59 V N -2.013 117.761 119.914 -0.233 0.000 3.046 59 V HA 0.861 4.980 4.120 -0.001 0.000 0.316 59 V C 0.209 176.146 176.094 -0.262 0.000 1.104 59 V CA -0.056 62.108 62.300 -0.226 0.000 1.006 59 V CB 1.136 32.874 31.823 -0.141 0.000 1.058 59 V HN 1.288 nan 8.190 nan 0.000 0.440 60 T N -0.767 113.641 114.554 -0.242 0.000 2.847 60 T HA 0.353 4.703 4.350 -0.001 0.000 0.279 60 T C 0.854 175.466 174.700 -0.147 0.000 0.984 60 T CA 0.088 62.053 62.100 -0.224 0.000 0.988 60 T CB 1.163 69.910 68.868 -0.202 0.000 1.040 60 T HN 0.779 nan 8.240 nan 0.000 0.528 61 Q N 0.269 119.997 119.800 -0.121 0.000 2.061 61 Q HA -0.099 4.241 4.340 -0.001 0.000 0.204 61 Q C 2.692 178.651 176.000 -0.069 0.000 0.984 61 Q CA 1.804 57.556 55.803 -0.084 0.000 0.846 61 Q CB -0.367 28.331 28.738 -0.066 0.000 0.902 61 Q HN 0.734 nan 8.270 nan 0.000 0.421 62 S N 0.421 116.081 115.700 -0.067 0.000 2.399 62 S HA -0.101 4.368 4.470 -0.001 0.000 0.231 62 S C 1.881 176.453 174.600 -0.047 0.000 1.022 62 S CA 1.025 59.193 58.200 -0.053 0.000 0.983 62 S CB -0.091 63.079 63.200 -0.051 0.000 0.803 62 S HN 0.301 nan 8.310 nan 0.000 0.480 63 M N 0.845 120.409 119.600 -0.060 0.000 2.132 63 M HA -0.148 4.331 4.480 -0.001 0.000 0.263 63 M C 2.524 178.796 176.300 -0.046 0.000 1.065 63 M CA 1.338 56.608 55.300 -0.050 0.000 1.122 63 M CB -0.338 32.219 32.600 -0.071 0.000 1.365 63 M HN 0.337 nan 8.290 nan 0.000 0.411 64 Q N 0.151 119.916 119.800 -0.058 0.000 2.079 64 Q HA -0.147 4.192 4.340 -0.001 0.000 0.200 64 Q C 2.043 178.022 176.000 -0.036 0.000 0.974 64 Q CA 1.632 57.406 55.803 -0.049 0.000 0.840 64 Q CB -0.050 28.653 28.738 -0.058 0.000 0.898 64 Q HN 0.540 nan 8.270 nan 0.000 0.430 65 A N 0.761 123.559 122.820 -0.036 0.000 1.940 65 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 65 A C 2.247 179.819 177.584 -0.021 0.000 1.176 65 A CA 1.601 53.621 52.037 -0.028 0.000 0.631 65 A CB -0.857 18.125 19.000 -0.030 0.000 0.814 65 A HN 0.534 nan 8.150 nan 0.000 0.446 66 A N -0.905 121.903 122.820 -0.020 0.000 1.978 66 A HA -0.149 4.170 4.320 -0.001 0.000 0.220 66 A C 2.057 179.636 177.584 -0.008 0.000 1.170 66 A CA 1.845 53.875 52.037 -0.012 0.000 0.636 66 A CB -0.498 18.498 19.000 -0.007 0.000 0.810 66 A HN 0.433 nan 8.150 nan 0.000 0.448 67 M N -1.308 118.286 119.600 -0.011 0.000 2.346 67 M HA -0.025 4.455 4.480 -0.001 0.000 0.263 67 M C 1.642 177.938 176.300 -0.006 0.000 1.064 67 M CA 1.308 56.604 55.300 -0.007 0.000 1.083 67 M CB -0.956 31.637 32.600 -0.011 0.000 1.399 67 M HN 0.448 nan 8.290 nan 0.000 0.435 68 M N -1.369 118.225 119.600 -0.009 0.000 2.453 68 M HA 0.033 4.513 4.480 -0.001 0.000 0.239 68 M C 0.751 177.047 176.300 -0.006 0.000 1.151 68 M CA 0.301 55.596 55.300 -0.008 0.000 0.989 68 M CB 0.252 32.845 32.600 -0.010 0.000 1.548 68 M HN 0.043 nan 8.290 nan 0.000 0.479 69 R N 0.051 120.548 120.500 -0.005 0.000 2.652 69 R HA 0.259 4.598 4.340 -0.001 0.000 0.372 69 R C 0.482 176.781 176.300 -0.002 0.000 1.104 69 R CA -0.351 55.747 56.100 -0.004 0.000 1.072 69 R CB 0.640 30.938 30.300 -0.005 0.000 1.367 69 R HN 0.199 nan 8.270 nan 0.000 0.577 70 G N 0.664 109.463 108.800 -0.001 0.000 2.442 70 G HA2 0.008 3.967 3.960 -0.001 0.000 0.249 70 G HA3 0.008 3.967 3.960 -0.001 0.000 0.249 70 G C -0.797 174.101 174.900 -0.003 0.000 1.263 70 G CA -0.141 44.959 45.100 0.001 0.000 0.846 70 G HN 0.049 nan 8.290 nan 0.000 0.555 71 D N 1.373 121.769 120.400 -0.007 0.000 2.441 71 D HA 0.194 4.833 4.640 -0.001 0.000 0.231 71 D C 0.673 176.967 176.300 -0.011 0.000 1.073 71 D CA -0.620 53.371 54.000 -0.015 0.000 0.850 71 D CB 1.130 41.909 40.800 -0.035 0.000 1.062 71 D HN 0.214 nan 8.370 nan 0.000 0.524 72 E N 1.823 122.022 120.200 -0.002 0.000 2.463 72 E HA 0.157 4.506 4.350 -0.001 0.000 0.191 72 E C 0.457 177.068 176.600 0.019 0.000 1.083 72 E CA -0.161 56.244 56.400 0.008 0.000 0.872 72 E CB -0.149 29.558 29.700 0.013 0.000 0.966 72 E HN 0.510 nan 8.360 nan 0.000 0.491 73 A N 0.598 123.422 122.820 0.007 0.000 2.531 73 A HA -0.075 4.244 4.320 -0.001 0.000 0.236 73 A C 0.855 178.465 177.584 0.045 0.000 1.062 73 A CA -0.133 51.920 52.037 0.028 0.000 0.760 73 A CB 0.068 19.068 19.000 0.000 0.000 0.995 73 A HN 0.302 nan 8.150 nan 0.000 0.501 74 Y N 2.558 122.843 120.300 -0.025 0.000 2.224 74 Y HA -0.028 4.521 4.550 -0.001 0.000 0.289 74 Y C 1.215 177.100 175.900 -0.025 0.000 1.146 74 Y CA 1.762 59.850 58.100 -0.020 0.000 1.182 74 Y CB 0.067 38.513 38.460 -0.023 0.000 0.983 74 Y HN 0.792 nan 8.280 nan 0.000 0.524 75 S N -2.186 113.525 115.700 0.019 0.000 2.564 75 S HA 0.550 5.019 4.470 -0.001 0.000 0.274 75 S C 0.442 175.030 174.600 -0.020 0.000 1.124 75 S CA -0.481 57.689 58.200 -0.051 0.000 0.869 75 S CB 1.383 64.623 63.200 0.067 0.000 1.105 75 S HN 0.947 nan 8.310 nan 0.000 0.472 76 G N 0.777 109.564 108.800 -0.022 0.000 2.153 76 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.252 76 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.252 76 G C 0.240 174.901 174.900 -0.397 0.000 0.994 76 G CA 0.322 45.396 45.100 -0.043 0.000 0.698 76 G HN 1.638 nan 8.290 nan 0.000 0.521 77 S N -0.077 115.428 115.700 -0.325 0.000 2.525 77 S HA 0.284 4.753 4.470 -0.001 0.000 0.285 77 S C 2.060 176.329 174.600 -0.552 0.000 1.283 77 S CA 0.669 58.689 58.200 -0.300 0.000 1.072 77 S CB 0.345 63.476 63.200 -0.114 0.000 0.867 77 S HN 0.793 nan 8.310 nan 0.000 0.492 78 R N 3.426 123.708 120.500 -0.362 0.000 2.189 78 R HA -0.010 4.329 4.340 -0.001 0.000 0.223 78 R C 1.807 178.058 176.300 -0.081 0.000 1.092 78 R CA 1.664 57.629 56.100 -0.225 0.000 0.989 78 R CB -0.554 29.717 30.300 -0.047 0.000 0.876 78 R HN 0.505 nan 8.270 nan 0.000 0.457 79 S N 0.538 116.201 115.700 -0.061 0.000 2.387 79 S HA -0.124 4.345 4.470 -0.001 0.000 0.226 79 S C 1.428 176.053 174.600 0.041 0.000 1.026 79 S CA 0.827 59.028 58.200 0.003 0.000 0.972 79 S CB -0.369 62.839 63.200 0.013 0.000 0.814 79 S HN 0.509 nan 8.310 nan 0.000 0.477 80 Y N 1.424 121.686 120.300 -0.064 0.000 2.242 80 Y HA -0.119 4.431 4.550 -0.001 0.000 0.291 80 Y C 1.778 177.769 175.900 0.153 0.000 1.137 80 Y CA 1.096 59.204 58.100 0.014 0.000 1.181 80 Y CB -0.715 37.733 38.460 -0.021 0.000 0.989 80 Y HN 0.345 nan 8.280 nan 0.000 0.527 81 Y N -0.347 119.824 120.300 -0.215 0.000 2.181 81 Y HA -0.250 4.300 4.550 -0.001 0.000 0.288 81 Y C 2.736 178.508 175.900 -0.214 0.000 1.146 81 Y CA 0.361 58.298 58.100 -0.271 0.000 1.164 81 Y CB -0.502 37.916 38.460 -0.071 0.000 0.982 81 Y HN 0.282 nan 8.280 nan 0.000 0.515 82 A N 0.243 123.092 122.820 0.048 0.000 1.902 82 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 82 A C 2.111 179.684 177.584 -0.018 0.000 1.181 82 A CA 1.623 53.672 52.037 0.020 0.000 0.623 82 A CB -0.964 18.054 19.000 0.029 0.000 0.818 82 A HN 0.438 nan 8.150 nan 0.000 0.443 83 L N -0.217 120.976 121.223 -0.049 0.000 2.046 83 L HA -0.042 4.297 4.340 -0.001 0.000 0.208 83 L C 2.634 179.439 176.870 -0.109 0.000 1.077 83 L CA 2.264 57.072 54.840 -0.052 0.000 0.747 83 L CB -0.906 41.142 42.059 -0.018 0.000 0.896 83 L HN 0.334 nan 8.230 nan 0.000 0.432 84 A N -0.809 121.867 122.820 -0.240 0.000 1.902 84 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 84 A C 2.250 179.747 177.584 -0.146 0.000 1.181 84 A CA 1.654 53.545 52.037 -0.243 0.000 0.623 84 A CB -0.710 18.026 19.000 -0.439 0.000 0.818 84 A HN 0.545 nan 8.150 nan 0.000 0.443 85 E N 0.363 120.493 120.200 -0.117 0.000 2.077 85 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 85 E C 2.170 178.751 176.600 -0.030 0.000 0.989 85 E CA 1.669 58.029 56.400 -0.067 0.000 0.800 85 E CB -0.347 29.331 29.700 -0.036 0.000 0.746 85 E HN 0.481 nan 8.360 nan 0.000 0.452 86 S N -0.784 114.909 115.700 -0.012 0.000 2.368 86 S HA -0.128 4.341 4.470 -0.001 0.000 0.225 86 S C 1.987 176.485 174.600 -0.171 0.000 1.030 86 S CA 1.146 59.328 58.200 -0.030 0.000 0.999 86 S CB -0.288 62.898 63.200 -0.022 0.000 0.844 86 S HN 0.169 nan 8.310 nan 0.000 0.459 87 V N 1.948 121.804 119.914 -0.096 0.000 2.343 87 V HA -0.184 3.935 4.120 -0.001 0.000 0.247 87 V C 2.389 178.465 176.094 -0.031 0.000 1.051 87 V CA 1.802 64.097 62.300 -0.009 0.000 1.036 87 V CB -0.515 31.310 31.823 0.002 0.000 0.654 87 V HN 0.444 nan 8.190 nan 0.000 0.451 88 K N 0.427 120.793 120.400 -0.056 0.000 2.026 88 K HA -0.207 4.112 4.320 -0.001 0.000 0.208 88 K C 1.888 178.448 176.600 -0.066 0.000 1.048 88 K CA 2.201 58.459 56.287 -0.049 0.000 0.929 88 K CB -0.254 32.200 32.500 -0.076 0.000 0.713 88 K HN 0.595 nan 8.250 nan 0.000 0.439 89 N N -0.002 118.650 118.700 -0.079 0.000 2.270 89 N HA -0.051 4.688 4.740 -0.001 0.000 0.181 89 N C 1.768 177.179 175.510 -0.165 0.000 1.016 89 N CA 0.977 53.988 53.050 -0.064 0.000 0.870 89 N CB 0.086 38.599 38.487 0.043 0.000 0.979 89 N HN 0.188 nan 8.380 nan 0.000 0.431 90 I N -0.701 119.645 120.570 -0.373 0.000 2.429 90 I HA -0.080 4.090 4.170 -0.001 0.000 0.247 90 I C 0.838 176.474 176.117 -0.801 0.000 1.099 90 I CA 1.030 61.916 61.300 -0.690 0.000 1.422 90 I CB 0.029 37.325 38.000 -1.173 0.000 1.112 90 I HN 0.046 nan 8.210 nan 0.000 0.430 91 F N 0.311 119.986 119.950 -0.460 0.000 2.731 91 F HA 0.340 4.867 4.527 -0.001 0.000 0.298 91 F C 1.754 177.409 175.800 -0.242 0.000 1.106 91 F CA 0.446 58.071 58.000 -0.625 0.000 1.329 91 F CB 0.146 38.419 39.000 -1.212 0.000 1.100 91 F HN 0.150 nan 8.300 nan 0.000 0.592 92 G N -0.191 108.633 108.800 0.041 0.000 2.143 92 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.248 92 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.248 92 G C -0.334 174.746 174.900 0.300 0.000 0.991 92 G CA -0.375 44.805 45.100 0.134 0.000 0.689 92 G HN 0.216 nan 8.290 nan 0.000 0.522 93 Y N 0.685 120.953 120.300 -0.052 0.000 2.327 93 Y HA 0.449 4.998 4.550 -0.002 0.000 0.336 93 Y C 1.511 177.308 175.900 -0.171 0.000 1.035 93 Y CA -1.331 56.713 58.100 -0.093 0.000 1.165 93 Y CB 1.354 39.760 38.460 -0.089 0.000 1.181 93 Y HN 0.102 nan 8.280 nan 0.000 0.494 94 Q N 2.084 121.774 119.800 -0.183 0.000 2.311 94 Q HA -0.050 4.289 4.340 -0.001 0.000 0.203 94 Q C -0.657 174.916 176.000 -0.712 0.000 0.954 94 Q CA 0.971 56.486 55.803 -0.481 0.000 0.885 94 Q CB 0.025 28.337 28.738 -0.710 0.000 0.963 94 Q HN 0.597 nan 8.270 nan 0.000 0.471 95 Y N -0.294 119.891 120.300 -0.192 0.000 2.341 95 Y HA 0.408 4.958 4.550 -0.001 0.000 0.338 95 Y C -0.041 175.744 175.900 -0.193 0.000 0.965 95 Y CA -0.693 57.166 58.100 -0.401 0.000 1.108 95 Y CB 1.923 39.862 38.460 -0.868 0.000 1.180 95 Y HN -0.339 nan 8.280 nan 0.000 0.458 96 T N 5.238 119.831 114.554 0.064 0.000 2.841 96 T HA 0.614 4.964 4.350 -0.001 0.000 0.285 96 T C -0.608 174.289 174.700 0.329 0.000 0.991 96 T CA -0.540 61.653 62.100 0.156 0.000 0.966 96 T CB 0.637 69.553 68.868 0.079 0.000 0.962 96 T HN 0.404 nan 8.240 nan 0.000 0.438 97 I N 5.058 125.774 120.570 0.243 0.000 2.420 97 I HA 0.309 4.478 4.170 -0.001 0.000 0.282 97 I C -2.531 173.655 176.117 0.115 0.000 1.019 97 I CA -2.491 58.933 61.300 0.208 0.000 1.130 97 I CB 2.088 40.185 38.000 0.162 0.000 1.262 97 I HN 0.278 nan 8.210 nan 0.000 0.454 98 P HA 0.144 nan 4.420 nan 0.000 0.276 98 P C -0.455 176.837 177.300 -0.013 0.000 1.230 98 P CA -0.062 63.084 63.100 0.076 0.000 0.776 98 P CB 0.784 32.562 31.700 0.131 0.000 0.888 99 T N -1.010 113.516 114.554 -0.047 0.000 2.887 99 T HA 0.522 4.871 4.350 -0.001 0.000 0.288 99 T C 0.402 175.035 174.700 -0.112 0.000 1.021 99 T CA -0.324 61.672 62.100 -0.173 0.000 1.000 99 T CB 1.220 70.004 68.868 -0.139 0.000 1.034 99 T HN 0.535 nan 8.240 nan 0.000 0.467 100 H N 0.257 119.331 119.070 0.006 0.000 2.800 100 H HA 0.325 4.880 4.556 -0.001 0.000 0.257 100 H C 1.611 176.946 175.328 0.012 0.000 0.967 100 H CA -0.035 56.020 56.048 0.011 0.000 1.192 100 H CB -0.329 29.439 29.762 0.010 0.000 1.441 100 H HN 0.563 nan 8.280 nan 0.000 0.461 101 Q N 1.426 121.308 119.800 0.137 0.000 2.576 101 Q HA 0.122 4.462 4.340 -0.001 0.000 0.218 101 Q C 0.590 176.635 176.000 0.075 0.000 0.983 101 Q CA 0.782 56.671 55.803 0.144 0.000 0.920 101 Q CB 0.004 28.779 28.738 0.063 0.000 0.973 101 Q HN 0.748 nan 8.270 nan 0.000 0.528 102 G N 1.255 110.087 108.800 0.053 0.000 2.601 102 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.224 102 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.224 102 G C 0.015 174.927 174.900 0.019 0.000 1.171 102 G CA -0.088 45.040 45.100 0.047 0.000 1.009 102 G HN 0.309 nan 8.290 nan 0.000 0.589 103 R N 1.938 122.456 120.500 0.030 0.000 2.395 103 R HA 0.190 4.529 4.340 -0.001 0.000 0.203 103 R C 1.552 177.836 176.300 -0.026 0.000 1.076 103 R CA 1.149 57.255 56.100 0.011 0.000 1.059 103 R CB -0.995 29.329 30.300 0.040 0.000 0.860 103 R HN 1.027 nan 8.270 nan 0.000 0.476 104 G N -0.282 108.497 108.800 -0.035 0.000 2.852 104 G HA2 0.283 4.242 3.960 -0.001 0.000 0.280 104 G HA3 0.283 4.242 3.960 -0.001 0.000 0.280 104 G C 0.305 175.130 174.900 -0.125 0.000 0.731 104 G CA 0.212 45.257 45.100 -0.093 0.000 2.037 104 G HN 0.366 nan 8.290 nan 0.000 0.560 105 A N 1.445 124.187 122.820 -0.130 0.000 2.425 105 A HA 0.291 4.610 4.320 -0.001 0.000 0.201 105 A C 1.570 179.105 177.584 -0.082 0.000 1.431 105 A CA 0.279 52.285 52.037 -0.051 0.000 1.066 105 A CB 0.424 19.443 19.000 0.031 0.000 1.318 105 A HN 0.447 nan 8.150 nan 0.000 0.534 106 E N 0.912 120.916 120.200 -0.327 0.000 2.086 106 E HA -0.188 4.161 4.350 -0.001 0.000 0.190 106 E C 1.943 178.032 176.600 -0.851 0.000 0.975 106 E CA 1.088 57.007 56.400 -0.800 0.000 0.813 106 E CB -0.320 29.012 29.700 -0.614 0.000 0.768 106 E HN 0.823 nan 8.360 nan 0.000 0.457 107 Q N 0.874 120.208 119.800 -0.777 0.000 2.439 107 Q HA -0.153 4.187 4.340 -0.001 0.000 0.211 107 Q C 1.742 177.586 176.000 -0.260 0.000 0.978 107 Q CA 0.957 56.504 55.803 -0.426 0.000 0.897 107 Q CB 0.055 28.677 28.738 -0.193 0.000 0.956 107 Q HN 0.250 nan 8.270 nan 0.000 0.483 108 I N 0.590 120.993 120.570 -0.277 0.000 2.726 108 I HA -0.117 4.052 4.170 -0.001 0.000 0.243 108 I C 2.409 178.456 176.117 -0.117 0.000 1.082 108 I CA 0.811 62.017 61.300 -0.157 0.000 1.447 108 I CB -1.405 36.537 38.000 -0.096 0.000 1.250 108 I HN 0.272 nan 8.210 nan 0.000 0.453 109 Y N 1.311 121.537 120.300 -0.125 0.000 2.352 109 Y HA -0.012 4.538 4.550 -0.001 0.000 0.292 109 Y C 2.298 178.099 175.900 -0.166 0.000 1.136 109 Y CA 0.842 58.869 58.100 -0.122 0.000 1.227 109 Y CB -1.342 37.047 38.460 -0.118 0.000 0.991 109 Y HN 0.029 nan 8.280 nan 0.000 0.545 110 I N 2.060 122.315 120.570 -0.525 0.000 2.076 110 I HA -0.212 3.957 4.170 -0.001 0.000 0.237 110 I C -0.118 175.971 176.117 -0.047 0.000 1.059 110 I CA 1.703 62.800 61.300 -0.337 0.000 1.317 110 I CB -1.595 36.202 38.000 -0.338 0.000 1.037 110 I HN 0.177 nan 8.210 nan 0.000 0.398 111 P HA -0.125 nan 4.420 nan 0.000 0.218 111 P C 1.897 179.209 177.300 0.018 0.000 1.148 111 P CA 1.497 64.595 63.100 -0.004 0.000 0.822 111 P CB -0.076 31.606 31.700 -0.029 0.000 0.784 112 V N 0.430 120.351 119.914 0.012 0.000 2.307 112 V HA -0.203 3.916 4.120 -0.001 0.000 0.245 112 V C 2.842 178.973 176.094 0.061 0.000 1.045 112 V CA 1.554 63.869 62.300 0.025 0.000 1.024 112 V CB -1.198 30.639 31.823 0.023 0.000 0.651 112 V HN 0.017 nan 8.190 nan 0.000 0.449 113 L N -0.768 120.522 121.223 0.111 0.000 2.141 113 L HA -0.130 4.209 4.340 -0.001 0.000 0.209 113 L C 2.326 179.310 176.870 0.190 0.000 1.094 113 L CA 1.365 56.309 54.840 0.172 0.000 0.763 113 L CB -0.463 41.753 42.059 0.262 0.000 0.908 113 L HN 0.288 nan 8.230 nan 0.000 0.437 114 I N 0.132 120.813 120.570 0.186 0.000 2.142 114 I HA -0.329 3.840 4.170 -0.001 0.000 0.240 114 I C 2.703 178.870 176.117 0.084 0.000 1.078 114 I CA 1.479 62.868 61.300 0.149 0.000 1.343 114 I CB -0.379 37.695 38.000 0.122 0.000 1.046 114 I HN 0.243 nan 8.210 nan 0.000 0.405 115 K N 1.664 122.099 120.400 0.058 0.000 2.103 115 K HA -0.265 4.054 4.320 -0.001 0.000 0.207 115 K C 2.211 178.827 176.600 0.027 0.000 1.048 115 K CA 1.661 57.967 56.287 0.032 0.000 0.930 115 K CB -0.069 32.441 32.500 0.016 0.000 0.716 115 K HN 0.162 nan 8.250 nan 0.000 0.444 116 K N 0.781 121.199 120.400 0.031 0.000 1.991 116 K HA -0.206 4.113 4.320 -0.001 0.000 0.212 116 K C 2.291 178.902 176.600 0.018 0.000 1.049 116 K CA 1.644 57.937 56.287 0.010 0.000 0.932 116 K CB -0.158 32.338 32.500 -0.006 0.000 0.717 116 K HN 0.066 nan 8.250 nan 0.000 0.441 117 R N 0.558 121.086 120.500 0.046 0.000 2.148 117 R HA -0.111 4.228 4.340 -0.001 0.000 0.227 117 R C 2.153 178.475 176.300 0.036 0.000 1.103 117 R CA 1.461 57.589 56.100 0.048 0.000 0.983 117 R CB 0.010 30.356 30.300 0.076 0.000 0.874 117 R HN 0.387 nan 8.270 nan 0.000 0.451 118 E N 0.076 120.297 120.200 0.035 0.000 2.152 118 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 118 E C 1.463 178.073 176.600 0.017 0.000 0.983 118 E CA 1.027 57.442 56.400 0.025 0.000 0.818 118 E CB 0.243 29.957 29.700 0.024 0.000 0.758 118 E HN 0.463 nan 8.360 nan 0.000 0.467 119 Q N -0.594 119.215 119.800 0.014 0.000 2.376 119 Q HA -0.010 4.329 4.340 -0.001 0.000 0.206 119 Q C 1.502 177.506 176.000 0.006 0.000 0.921 119 Q CA 0.606 56.414 55.803 0.008 0.000 0.911 119 Q CB 0.447 29.187 28.738 0.003 0.000 1.032 119 Q HN 0.306 nan 8.270 nan 0.000 0.510 120 E N 0.771 120.976 120.200 0.007 0.000 2.201 120 E HA 0.039 4.388 4.350 -0.001 0.000 0.193 120 E C 0.619 177.227 176.600 0.013 0.000 0.957 120 E CA 0.469 56.872 56.400 0.006 0.000 0.858 120 E CB 0.444 30.143 29.700 -0.002 0.000 0.816 120 E HN 0.025 nan 8.360 nan 0.000 0.475 121 K N 0.320 120.732 120.400 0.020 0.000 2.792 121 K HA 0.198 4.517 4.320 -0.001 0.000 0.207 121 K C 0.003 176.618 176.600 0.024 0.000 1.103 121 K CA 0.064 56.366 56.287 0.026 0.000 1.048 121 K CB 1.484 34.006 32.500 0.036 0.000 0.777 121 K HN 0.159 nan 8.250 nan 0.000 0.468 122 G N 2.467 111.278 108.800 0.019 0.000 2.421 122 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.300 122 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.300 122 G C 0.101 175.012 174.900 0.018 0.000 0.974 122 G CA 0.239 45.349 45.100 0.017 0.000 1.062 122 G HN 0.464 nan 8.290 nan 0.000 0.514 123 L N -0.094 121.143 121.223 0.022 0.000 2.490 123 L HA 0.290 4.630 4.340 -0.001 0.000 0.274 123 L C 0.159 177.038 176.870 0.015 0.000 1.201 123 L CA -0.290 54.563 54.840 0.023 0.000 0.869 123 L CB 0.661 42.739 42.059 0.032 0.000 1.123 123 L HN 0.221 nan 8.230 nan 0.000 0.484 124 D N 4.644 125.050 120.400 0.010 0.000 2.443 124 D HA 0.157 4.796 4.640 -0.001 0.000 0.221 124 D C 1.026 177.325 176.300 -0.001 0.000 1.097 124 D CA -0.301 53.701 54.000 0.004 0.000 0.865 124 D CB 1.046 41.847 40.800 0.002 0.000 1.034 124 D HN 0.580 nan 8.370 nan 0.000 0.511 125 R N 1.103 121.603 120.500 -0.000 0.000 2.117 125 R HA -0.163 4.176 4.340 -0.001 0.000 0.243 125 R C 2.045 178.336 176.300 -0.015 0.000 1.143 125 R CA 1.782 57.879 56.100 -0.005 0.000 0.968 125 R CB -0.085 30.214 30.300 -0.002 0.000 0.863 125 R HN 0.422 nan 8.270 nan 0.000 0.444 126 S N 0.219 115.911 115.700 -0.013 0.000 2.555 126 S HA -0.033 4.436 4.470 -0.001 0.000 0.230 126 S C 1.182 175.768 174.600 -0.023 0.000 0.978 126 S CA 0.741 58.931 58.200 -0.018 0.000 0.934 126 S CB 0.172 63.364 63.200 -0.014 0.000 0.766 126 S HN 0.287 nan 8.310 nan 0.000 0.533 127 K N 1.009 121.396 120.400 -0.022 0.000 2.501 127 K HA 0.315 4.634 4.320 -0.001 0.000 0.204 127 K C 0.138 176.717 176.600 -0.035 0.000 1.067 127 K CA -0.233 56.040 56.287 -0.024 0.000 1.060 127 K CB 0.521 33.013 32.500 -0.013 0.000 0.873 127 K HN 0.594 nan 8.250 nan 0.000 0.540 128 M N 0.356 119.930 119.600 -0.043 0.000 2.239 128 M HA 0.262 4.741 4.480 -0.001 0.000 0.348 128 M C -0.501 175.727 176.300 -0.120 0.000 1.239 128 M CA 0.059 55.321 55.300 -0.063 0.000 1.114 128 M CB 0.719 33.288 32.600 -0.051 0.000 1.641 128 M HN -0.313 nan 8.290 nan 0.000 0.453 129 V N 2.944 122.759 119.914 -0.165 0.000 2.668 129 V HA 0.777 4.896 4.120 -0.001 0.000 0.304 129 V C -0.374 175.458 176.094 -0.438 0.000 1.071 129 V CA -0.757 61.354 62.300 -0.315 0.000 0.894 129 V CB 1.617 33.239 31.823 -0.336 0.000 1.008 129 V HN 1.081 nan 8.190 nan 0.000 0.425 130 A N 4.464 126.980 122.820 -0.507 0.000 2.325 130 A HA 0.977 5.296 4.320 -0.001 0.000 0.333 130 A C -1.204 176.235 177.584 -0.242 0.000 1.155 130 A CA -0.300 51.492 52.037 -0.408 0.000 0.814 130 A CB 0.853 19.514 19.000 -0.566 0.000 1.206 130 A HN 0.602 nan 8.150 nan 0.000 0.482 131 F N 0.416 120.535 119.950 0.282 0.000 2.556 131 F HA 0.787 5.313 4.527 -0.001 0.000 0.327 131 F C 0.686 176.512 175.800 0.043 0.000 1.059 131 F CA -0.190 57.966 58.000 0.261 0.000 0.953 131 F CB 2.496 41.596 39.000 0.166 0.000 1.227 131 F HN 0.585 nan 8.300 nan 0.000 0.478 132 S N -0.190 115.476 115.700 -0.058 0.000 2.552 132 S HA 0.203 4.672 4.470 -0.001 0.000 0.272 132 S C 0.048 174.390 174.600 -0.430 0.000 1.150 132 S CA -0.622 57.329 58.200 -0.415 0.000 0.849 132 S CB 0.790 63.048 63.200 -1.569 0.000 1.113 132 S HN 0.766 nan 8.310 nan 0.000 0.458 133 N N 1.260 119.371 118.700 -0.982 0.000 2.364 133 N HA -0.049 4.691 4.740 -0.001 0.000 0.183 133 N C -0.212 175.235 175.510 -0.106 0.000 1.022 133 N CA 0.991 53.498 53.050 -0.904 0.000 0.883 133 N CB -0.041 37.726 38.487 -1.201 0.000 0.965 133 N HN 0.484 nan 8.380 nan 0.000 0.438 134 Y N -0.615 119.517 120.300 -0.281 0.000 2.146 134 Y HA 0.196 4.746 4.550 -0.001 0.000 0.312 134 Y C -1.497 174.397 175.900 -0.010 0.000 1.256 134 Y CA -1.331 56.730 58.100 -0.066 0.000 1.468 134 Y CB -0.134 38.303 38.460 -0.038 0.000 1.309 134 Y HN -0.129 nan 8.280 nan 0.000 0.377 135 F N 5.198 125.058 119.950 -0.150 0.000 2.529 135 F HA 0.261 4.788 4.527 -0.001 0.000 0.365 135 F C 0.317 176.141 175.800 0.040 0.000 1.102 135 F CA 0.413 58.431 58.000 0.030 0.000 1.271 135 F CB 0.198 39.199 39.000 0.000 0.000 1.120 135 F HN 0.291 nan 8.300 nan 0.000 0.579 136 F N 3.441 123.578 119.950 0.310 0.000 2.443 136 F HA 0.066 4.593 4.527 -0.001 0.000 0.353 136 F C 1.678 177.600 175.800 0.202 0.000 1.101 136 F CA -0.189 57.963 58.000 0.253 0.000 1.226 136 F CB 0.373 39.527 39.000 0.256 0.000 1.140 136 F HN 0.532 nan 8.300 nan 0.000 0.557 137 D N 0.848 121.392 120.400 0.241 0.000 2.192 137 D HA -0.280 4.359 4.640 -0.001 0.000 0.189 137 D C 2.247 178.651 176.300 0.173 0.000 1.007 137 D CA 2.617 56.712 54.000 0.158 0.000 0.859 137 D CB -0.607 40.269 40.800 0.127 0.000 0.936 137 D HN 0.700 nan 8.370 nan 0.000 0.447 138 T N -1.219 113.486 114.554 0.252 0.000 2.684 138 T HA -0.163 4.187 4.350 -0.001 0.000 0.267 138 T C 2.074 176.954 174.700 0.299 0.000 1.036 138 T CA 2.278 64.524 62.100 0.243 0.000 1.148 138 T CB -0.984 68.058 68.868 0.290 0.000 0.863 138 T HN 0.039 nan 8.240 nan 0.000 0.436 139 T N 1.917 116.663 114.554 0.320 0.000 2.684 139 T HA -0.197 4.153 4.350 -0.001 0.000 0.267 139 T C 2.042 176.811 174.700 0.115 0.000 1.036 139 T CA 1.750 64.023 62.100 0.288 0.000 1.148 139 T CB -0.555 68.597 68.868 0.472 0.000 0.863 139 T HN 0.601 nan 8.240 nan 0.000 0.436 140 Q N 0.617 120.441 119.800 0.041 0.000 2.170 140 Q HA -0.091 4.248 4.340 -0.001 0.000 0.203 140 Q C 2.477 178.405 176.000 -0.120 0.000 0.976 140 Q CA 1.566 57.253 55.803 -0.194 0.000 0.858 140 Q CB -0.510 28.164 28.738 -0.107 0.000 0.907 140 Q HN 0.594 nan 8.270 nan 0.000 0.433 141 G N -0.351 108.428 108.800 -0.035 0.000 2.453 141 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.215 141 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.215 141 G C 0.743 175.568 174.900 -0.124 0.000 1.201 141 G CA 1.098 46.140 45.100 -0.096 0.000 0.784 141 G HN 0.483 nan 8.290 nan 0.000 0.545 142 H N 0.342 119.373 119.070 -0.066 0.000 2.456 142 H HA 0.053 4.608 4.556 -0.001 0.000 0.296 142 H C 2.918 178.191 175.328 -0.092 0.000 1.079 142 H CA 1.352 57.348 56.048 -0.087 0.000 1.322 142 H CB 0.218 29.905 29.762 -0.126 0.000 1.388 142 H HN 0.318 nan 8.280 nan 0.000 0.538 143 S N 0.145 115.851 115.700 0.010 0.000 2.362 143 S HA -0.145 4.324 4.470 -0.001 0.000 0.221 143 S C 1.969 176.525 174.600 -0.074 0.000 1.032 143 S CA 0.840 59.024 58.200 -0.027 0.000 0.973 143 S CB -0.071 63.039 63.200 -0.150 0.000 0.849 143 S HN 0.495 nan 8.310 nan 0.000 0.465 144 Q N 0.417 120.148 119.800 -0.115 0.000 2.061 144 Q HA -0.036 4.303 4.340 -0.001 0.000 0.204 144 Q C 1.135 177.091 176.000 -0.073 0.000 0.984 144 Q CA 0.798 56.537 55.803 -0.106 0.000 0.846 144 Q CB -0.270 28.403 28.738 -0.108 0.000 0.902 144 Q HN 0.523 nan 8.270 nan 0.000 0.421 145 I N 0.866 121.396 120.570 -0.067 0.000 2.836 145 I HA -0.160 4.009 4.170 -0.001 0.000 0.285 145 I C 0.123 176.222 176.117 -0.030 0.000 1.174 145 I CA 0.325 61.594 61.300 -0.052 0.000 1.405 145 I CB 0.457 38.419 38.000 -0.063 0.000 1.385 145 I HN 0.449 nan 8.210 nan 0.000 0.594 146 N N 3.959 122.646 118.700 -0.023 0.000 2.976 146 N HA -0.155 4.584 4.740 -0.001 0.000 0.206 146 N C 0.682 176.184 175.510 -0.013 0.000 0.910 146 N CA 1.030 54.074 53.050 -0.009 0.000 1.030 146 N CB -1.331 37.160 38.487 0.007 0.000 1.019 146 N HN 1.154 nan 8.380 nan 0.000 0.577 147 G N 0.623 109.407 108.800 -0.028 0.000 2.171 147 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.238 147 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.238 147 G C -0.009 174.863 174.900 -0.046 0.000 1.039 147 G CA 0.435 45.514 45.100 -0.035 0.000 0.759 147 G HN 0.761 nan 8.290 nan 0.000 0.501 148 C N 1.713 120.978 119.300 -0.059 0.000 2.298 148 C HA 0.769 5.228 4.460 -0.001 0.000 0.323 148 C C 0.972 175.876 174.990 -0.143 0.000 1.284 148 C CA 0.171 59.133 59.018 -0.092 0.000 1.577 148 C CB 0.117 27.814 27.740 -0.071 0.000 2.249 148 C HN 0.518 nan 8.230 nan 0.000 0.497 149 T N 5.204 119.662 114.554 -0.161 0.000 2.897 149 T HA 0.468 4.817 4.350 -0.001 0.000 0.294 149 T C 0.111 174.650 174.700 -0.268 0.000 1.004 149 T CA -0.247 61.743 62.100 -0.183 0.000 1.106 149 T CB 1.006 69.785 68.868 -0.150 0.000 0.949 149 T HN 0.919 nan 8.240 nan 0.000 0.520 150 V N 1.133 120.886 119.914 -0.268 0.000 2.815 150 V HA 0.825 4.945 4.120 -0.001 0.000 0.314 150 V C -0.620 175.402 176.094 -0.120 0.000 1.064 150 V CA -1.151 60.972 62.300 -0.295 0.000 0.952 150 V CB 1.903 33.380 31.823 -0.576 0.000 1.020 150 V HN 0.737 nan 8.190 nan 0.000 0.439 151 R N 2.332 122.842 120.500 0.018 0.000 2.533 151 R HA 0.453 4.792 4.340 -0.001 0.000 0.288 151 R C -1.487 174.981 176.300 0.280 0.000 1.039 151 R CA -0.594 55.555 56.100 0.082 0.000 0.909 151 R CB 2.007 32.281 30.300 -0.042 0.000 1.195 151 R HN 0.838 nan 8.270 nan 0.000 0.438 152 N N 2.107 120.941 118.700 0.223 0.000 2.419 152 N HA 0.129 4.868 4.740 -0.001 0.000 0.264 152 N C 0.211 175.806 175.510 0.142 0.000 1.031 152 N CA -0.194 52.981 53.050 0.208 0.000 0.951 152 N CB 2.088 40.753 38.487 0.297 0.000 1.101 152 N HN 0.352 nan 8.380 nan 0.000 0.488 153 V N 0.968 120.959 119.914 0.129 0.000 2.205 153 V HA 0.370 4.490 4.120 -0.001 0.000 0.263 153 V C -0.468 175.629 176.094 0.006 0.000 1.138 153 V CA -0.903 61.415 62.300 0.030 0.000 1.059 153 V CB -1.535 30.368 31.823 0.134 0.000 1.232 153 V HN 0.411 nan 8.190 nan 0.000 0.469 154 Y N 2.313 122.680 120.300 0.111 0.000 2.374 154 Y HA 0.825 5.375 4.550 -0.001 0.000 0.322 154 Y C 0.424 176.361 175.900 0.061 0.000 1.275 154 Y CA -2.345 55.795 58.100 0.067 0.000 1.307 154 Y CB 0.633 39.168 38.460 0.125 0.000 1.282 154 Y HN 0.526 nan 8.280 nan 0.000 0.509 155 I N -0.116 120.601 120.570 0.245 0.000 2.945 155 I HA 0.307 4.476 4.170 -0.001 0.000 0.292 155 I C 0.713 176.941 176.117 0.186 0.000 1.093 155 I CA -0.888 60.485 61.300 0.120 0.000 1.336 155 I CB 1.014 39.022 38.000 0.013 0.000 1.435 155 I HN 0.738 nan 8.210 nan 0.000 0.593 156 K N 1.799 122.234 120.400 0.059 0.000 2.152 156 K HA -0.163 4.156 4.320 -0.001 0.000 0.206 156 K C 1.494 178.114 176.600 0.033 0.000 1.048 156 K CA 1.941 58.268 56.287 0.067 0.000 0.933 156 K CB -0.191 32.306 32.500 -0.004 0.000 0.721 156 K HN 0.637 nan 8.250 nan 0.000 0.447 157 E N 0.611 120.754 120.200 -0.094 0.000 2.358 157 E HA -0.027 4.322 4.350 -0.001 0.000 0.195 157 E C 1.716 178.255 176.600 -0.100 0.000 1.010 157 E CA 0.686 57.001 56.400 -0.142 0.000 0.856 157 E CB -0.207 29.270 29.700 -0.371 0.000 0.795 157 E HN 0.306 nan 8.360 nan 0.000 0.504 158 A N 0.671 123.443 122.820 -0.080 0.000 1.870 158 A HA -0.238 4.082 4.320 -0.001 0.000 0.219 158 A C 1.511 178.812 177.584 -0.472 0.000 1.224 158 A CA 1.791 53.663 52.037 -0.276 0.000 0.650 158 A CB -0.869 17.956 19.000 -0.291 0.000 0.836 158 A HN 0.333 nan 8.150 nan 0.000 0.454 159 F N -0.166 119.644 119.950 -0.233 0.000 2.693 159 F HA 0.198 4.725 4.527 -0.001 0.000 0.303 159 F C 0.553 176.273 175.800 -0.133 0.000 1.097 159 F CA -0.425 57.440 58.000 -0.226 0.000 1.330 159 F CB 0.302 39.140 39.000 -0.270 0.000 1.067 159 F HN 0.111 nan 8.300 nan 0.000 0.565 160 D N 1.104 121.517 120.400 0.023 0.000 2.435 160 D HA -0.002 4.637 4.640 -0.001 0.000 0.230 160 D C 1.409 177.697 176.300 -0.020 0.000 1.215 160 D CA 0.280 54.286 54.000 0.009 0.000 0.947 160 D CB 0.861 41.660 40.800 -0.002 0.000 1.048 160 D HN 0.251 nan 8.370 nan 0.000 0.512 161 T N -0.131 114.414 114.554 -0.015 0.000 3.051 161 T HA -0.029 4.320 4.350 -0.001 0.000 0.269 161 T C 1.759 176.446 174.700 -0.021 0.000 1.127 161 T CA 0.657 62.740 62.100 -0.027 0.000 1.107 161 T CB 0.098 68.955 68.868 -0.019 0.000 0.898 161 T HN 0.288 nan 8.240 nan 0.000 0.517 162 G N 0.696 109.489 108.800 -0.012 0.000 2.623 162 G HA2 0.317 4.276 3.960 -0.001 0.000 0.214 162 G HA3 0.317 4.276 3.960 -0.001 0.000 0.214 162 G C 0.297 175.193 174.900 -0.007 0.000 1.138 162 G CA 0.044 45.138 45.100 -0.009 0.000 0.794 162 G HN 0.529 nan 8.290 nan 0.000 0.535 163 V N 1.089 120.999 119.914 -0.007 0.000 2.555 163 V HA 0.454 4.573 4.120 -0.001 0.000 0.302 163 V C -0.256 175.846 176.094 0.013 0.000 1.038 163 V CA -1.216 61.087 62.300 0.005 0.000 0.887 163 V CB 1.750 33.575 31.823 0.004 0.000 0.991 163 V HN 0.430 nan 8.190 nan 0.000 0.434 164 R N 3.291 123.807 120.500 0.026 0.000 2.229 164 R HA 0.637 4.976 4.340 -0.001 0.000 0.328 164 R C -1.548 174.809 176.300 0.095 0.000 1.009 164 R CA -0.559 55.555 56.100 0.023 0.000 0.864 164 R CB 1.008 31.302 30.300 -0.009 0.000 1.085 164 R HN 0.655 nan 8.270 nan 0.000 0.453 165 Y N 2.119 122.367 120.300 -0.086 0.000 2.462 165 Y HA 0.211 4.761 4.550 -0.001 0.000 0.346 165 Y C 0.224 176.042 175.900 -0.137 0.000 0.976 165 Y CA -1.115 56.942 58.100 -0.072 0.000 1.044 165 Y CB 2.047 40.479 38.460 -0.046 0.000 1.230 165 Y HN 0.655 nan 8.280 nan 0.000 0.455 166 D N 3.536 123.579 120.400 -0.595 0.000 2.178 166 D HA -0.107 4.532 4.640 -0.001 0.000 0.202 166 D C -0.360 175.366 176.300 -0.957 0.000 0.974 166 D CA 1.873 55.468 54.000 -0.673 0.000 0.841 166 D CB 0.097 40.567 40.800 -0.551 0.000 0.953 166 D HN 0.345 nan 8.370 nan 0.000 0.478 167 F N 0.151 119.850 119.950 -0.418 0.000 2.622 167 F HA 0.292 4.818 4.527 -0.001 0.000 0.338 167 F C 1.173 177.056 175.800 0.139 0.000 1.334 167 F CA -0.610 57.315 58.000 -0.125 0.000 1.179 167 F CB 0.911 39.858 39.000 -0.089 0.000 1.471 167 F HN -0.396 nan 8.300 nan 0.000 0.576 168 K N 0.381 120.876 120.400 0.158 0.000 2.442 168 K HA -0.033 4.286 4.320 -0.001 0.000 0.198 168 K C 1.995 178.580 176.600 -0.025 0.000 1.042 168 K CA 0.885 57.228 56.287 0.094 0.000 0.958 168 K CB 0.058 32.496 32.500 -0.102 0.000 0.766 168 K HN 0.696 nan 8.250 nan 0.000 0.474 169 G N 0.756 109.559 108.800 0.004 0.000 2.880 169 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.209 169 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.209 169 G C 0.182 175.107 174.900 0.042 0.000 1.157 169 G CA -0.348 44.735 45.100 -0.029 0.000 0.779 169 G HN 0.275 nan 8.290 nan 0.000 0.539 170 N N -0.085 118.706 118.700 0.152 0.000 2.345 170 N HA 0.043 4.782 4.740 -0.001 0.000 0.243 170 N C -0.637 174.964 175.510 0.153 0.000 1.246 170 N CA -0.156 53.009 53.050 0.192 0.000 0.863 170 N CB 0.441 39.082 38.487 0.257 0.000 1.096 170 N HN 0.016 nan 8.380 nan 0.000 0.446 171 F N 0.611 120.614 119.950 0.088 0.000 2.450 171 F HA -0.013 4.513 4.527 -0.001 0.000 0.339 171 F C 1.168 176.998 175.800 0.050 0.000 1.146 171 F CA -0.062 57.982 58.000 0.073 0.000 1.267 171 F CB 0.456 39.481 39.000 0.043 0.000 1.178 171 F HN 0.391 nan 8.300 nan 0.000 0.585 172 D N 3.821 124.354 120.400 0.222 0.000 2.453 172 D HA 0.111 4.751 4.640 -0.001 0.000 0.223 172 D C 1.061 177.420 176.300 0.098 0.000 1.183 172 D CA 0.145 54.208 54.000 0.105 0.000 0.933 172 D CB 0.196 41.009 40.800 0.022 0.000 1.038 172 D HN 0.484 nan 8.370 nan 0.000 0.513 173 L N 2.440 123.714 121.223 0.085 0.000 1.997 173 L HA -0.216 4.124 4.340 -0.001 0.000 0.216 173 L C 2.230 179.094 176.870 -0.011 0.000 1.074 173 L CA 1.370 56.227 54.840 0.028 0.000 0.763 173 L CB -0.305 41.762 42.059 0.014 0.000 0.890 173 L HN 0.426 nan 8.230 nan 0.000 0.434 174 E N -0.142 120.052 120.200 -0.010 0.000 2.077 174 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 174 E C 2.224 178.794 176.600 -0.049 0.000 0.989 174 E CA 0.943 57.327 56.400 -0.026 0.000 0.800 174 E CB -0.283 29.406 29.700 -0.019 0.000 0.746 174 E HN 0.574 nan 8.360 nan 0.000 0.452 175 G N 1.413 110.187 108.800 -0.044 0.000 2.440 175 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.218 175 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.218 175 G C 1.543 176.359 174.900 -0.140 0.000 1.154 175 G CA 0.683 45.742 45.100 -0.068 0.000 0.767 175 G HN 0.161 nan 8.290 nan 0.000 0.552 176 L N 0.649 121.788 121.223 -0.140 0.000 2.017 176 L HA 0.030 4.370 4.340 -0.001 0.000 0.208 176 L C 2.653 179.312 176.870 -0.351 0.000 1.073 176 L CA 2.586 57.246 54.840 -0.301 0.000 0.745 176 L CB -0.635 41.331 42.059 -0.155 0.000 0.894 176 L HN 0.288 nan 8.230 nan 0.000 0.432 177 E N -0.065 120.023 120.200 -0.187 0.000 2.085 177 E HA -0.284 4.065 4.350 -0.001 0.000 0.194 177 E C 2.467 178.966 176.600 -0.169 0.000 0.994 177 E CA 1.679 57.999 56.400 -0.134 0.000 0.801 177 E CB -0.310 29.370 29.700 -0.034 0.000 0.743 177 E HN 0.433 nan 8.360 nan 0.000 0.453 178 R N -0.702 119.713 120.500 -0.143 0.000 2.081 178 R HA -0.078 4.262 4.340 -0.001 0.000 0.235 178 R C 2.320 178.533 176.300 -0.144 0.000 1.131 178 R CA 1.468 57.502 56.100 -0.111 0.000 0.960 178 R CB -0.659 29.597 30.300 -0.074 0.000 0.856 178 R HN 0.328 nan 8.270 nan 0.000 0.436 179 G N 1.188 109.839 108.800 -0.249 0.000 2.433 179 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.216 179 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.216 179 G C 1.493 176.270 174.900 -0.204 0.000 1.186 179 G CA 0.883 45.838 45.100 -0.241 0.000 0.779 179 G HN 0.256 nan 8.290 nan 0.000 0.543 180 I N 0.634 120.939 120.570 -0.443 0.000 2.163 180 I HA -0.183 3.986 4.170 -0.001 0.000 0.243 180 I C 2.672 178.638 176.117 -0.253 0.000 1.085 180 I CA 1.657 62.760 61.300 -0.328 0.000 1.347 180 I CB -0.291 37.357 38.000 -0.586 0.000 1.044 180 I HN 0.221 nan 8.210 nan 0.000 0.408 181 E N 1.457 121.504 120.200 -0.254 0.000 2.049 181 E HA -0.308 4.041 4.350 -0.001 0.000 0.198 181 E C 2.026 178.587 176.600 -0.065 0.000 1.007 181 E CA 2.065 58.382 56.400 -0.139 0.000 0.809 181 E CB -0.221 29.430 29.700 -0.081 0.000 0.749 181 E HN 0.467 nan 8.360 nan 0.000 0.450 182 E N -0.468 119.706 120.200 -0.042 0.000 2.023 182 E HA -0.179 4.171 4.350 -0.001 0.000 0.196 182 E C 2.088 178.697 176.600 0.016 0.000 1.003 182 E CA 1.863 58.262 56.400 -0.001 0.000 0.809 182 E CB -0.105 29.608 29.700 0.021 0.000 0.755 182 E HN 0.240 nan 8.360 nan 0.000 0.449 183 V N 0.149 120.092 119.914 0.048 0.000 2.626 183 V HA -0.029 4.090 4.120 -0.001 0.000 0.252 183 V C 1.062 177.168 176.094 0.021 0.000 1.067 183 V CA 1.123 63.457 62.300 0.056 0.000 1.081 183 V CB -0.668 31.235 31.823 0.132 0.000 0.686 183 V HN 0.602 nan 8.190 nan 0.000 0.468 184 G N 0.519 109.314 108.800 -0.009 0.000 3.338 184 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.686 184 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.686 184 G C -1.251 173.632 174.900 -0.029 0.000 1.053 184 G CA -0.214 44.874 45.100 -0.019 0.000 0.852 184 G HN 0.203 nan 8.290 nan 0.000 0.545 185 P HA -0.195 nan 4.420 nan 0.000 0.217 185 P C 1.374 178.688 177.300 0.024 0.000 1.148 185 P CA 1.327 64.395 63.100 -0.053 0.000 0.834 185 P CB 0.101 31.811 31.700 0.017 0.000 0.783 186 N N -0.245 118.474 118.700 0.031 0.000 2.396 186 N HA -0.051 4.688 4.740 -0.001 0.000 0.180 186 N C 1.120 176.650 175.510 0.032 0.000 1.028 186 N CA 0.732 53.805 53.050 0.038 0.000 0.893 186 N CB -0.430 38.077 38.487 0.032 0.000 0.967 186 N HN 0.294 nan 8.380 nan 0.000 0.440 187 N N 0.352 119.066 118.700 0.023 0.000 2.270 187 N HA 0.052 4.792 4.740 -0.001 0.000 0.198 187 N C -0.403 175.113 175.510 0.009 0.000 1.117 187 N CA 0.091 53.150 53.050 0.013 0.000 0.845 187 N CB 1.266 39.756 38.487 0.005 0.000 0.980 187 N HN -0.058 nan 8.380 nan 0.000 0.486 188 V N 4.014 123.949 119.914 0.035 0.000 2.288 188 V HA 0.159 4.279 4.120 -0.001 0.000 0.266 188 V C -1.202 174.918 176.094 0.044 0.000 1.048 188 V CA -1.230 61.098 62.300 0.046 0.000 0.842 188 V CB 1.740 33.639 31.823 0.126 0.000 1.064 188 V HN -0.001 nan 8.190 nan 0.000 0.472 189 P HA -0.078 nan 4.420 nan 0.000 0.217 189 P C -0.236 177.239 177.300 0.292 0.000 1.150 189 P CA 1.549 64.715 63.100 0.110 0.000 0.832 189 P CB 0.247 32.004 31.700 0.094 0.000 0.787 190 Y N -3.753 116.676 120.300 0.215 0.000 2.774 190 Y HA 0.607 5.156 4.550 -0.001 0.000 0.346 190 Y C -1.363 174.725 175.900 0.313 0.000 1.222 190 Y CA -1.607 56.647 58.100 0.256 0.000 1.088 190 Y CB 0.064 38.693 38.460 0.282 0.000 1.354 190 Y HN -0.340 nan 8.280 nan 0.000 0.455 191 I N 2.260 123.111 120.570 0.468 0.000 2.465 191 I HA 0.569 4.738 4.170 -0.001 0.000 0.291 191 I C -1.097 175.296 176.117 0.459 0.000 1.014 191 I CA -1.284 60.269 61.300 0.421 0.000 1.093 191 I CB 2.110 40.275 38.000 0.276 0.000 1.267 191 I HN 0.488 nan 8.210 nan 0.000 0.431 192 V N 5.518 125.700 119.914 0.447 0.000 2.370 192 V HA 0.551 4.670 4.120 -0.001 0.000 0.283 192 V C 0.322 176.611 176.094 0.324 0.000 1.023 192 V CA -0.563 61.956 62.300 0.364 0.000 0.857 192 V CB 1.452 33.533 31.823 0.430 0.000 0.985 192 V HN 0.807 nan 8.190 nan 0.000 0.443 193 A N 3.677 126.701 122.820 0.340 0.000 2.280 193 A HA 0.645 4.964 4.320 -0.001 0.000 0.320 193 A C 0.334 178.059 177.584 0.234 0.000 1.366 193 A CA -0.325 51.958 52.037 0.410 0.000 0.938 193 A CB 0.188 19.417 19.000 0.380 0.000 1.157 193 A HN 0.718 nan 8.150 nan 0.000 0.536 194 T N 3.945 118.611 114.554 0.187 0.000 2.743 194 T HA 0.527 4.876 4.350 -0.001 0.000 0.293 194 T C 0.044 174.892 174.700 0.247 0.000 0.945 194 T CA 0.165 62.410 62.100 0.242 0.000 1.030 194 T CB -0.141 68.935 68.868 0.348 0.000 0.912 194 T HN 0.670 nan 8.240 nan 0.000 0.483 195 I N 0.626 121.351 120.570 0.258 0.000 2.478 195 I HA 0.565 4.735 4.170 -0.001 0.000 0.287 195 I C 0.340 176.646 176.117 0.315 0.000 1.042 195 I CA -1.021 60.443 61.300 0.273 0.000 1.067 195 I CB 1.948 40.088 38.000 0.234 0.000 1.233 195 I HN 0.501 nan 8.210 nan 0.000 0.431 196 T N 2.039 116.810 114.554 0.362 0.000 2.766 196 T HA 0.207 4.556 4.350 -0.001 0.000 0.295 196 T C 0.495 175.429 174.700 0.391 0.000 1.024 196 T CA -0.467 61.851 62.100 0.362 0.000 1.018 196 T CB 1.292 70.409 68.868 0.415 0.000 1.002 196 T HN 0.699 nan 8.240 nan 0.000 0.532 197 S N -0.052 115.772 115.700 0.207 0.000 2.565 197 S HA 0.115 4.585 4.470 -0.001 0.000 0.276 197 S C 1.106 175.691 174.600 -0.026 0.000 1.326 197 S CA -0.648 57.633 58.200 0.134 0.000 1.045 197 S CB 0.074 63.257 63.200 -0.028 0.000 0.918 197 S HN 0.802 nan 8.310 nan 0.000 0.505 198 N N 2.392 121.103 118.700 0.018 0.000 2.461 198 N HA -0.001 4.738 4.740 -0.001 0.000 0.188 198 N C 0.234 175.486 175.510 -0.430 0.000 1.134 198 N CA 0.350 53.230 53.050 -0.284 0.000 0.878 198 N CB -0.080 37.974 38.487 -0.721 0.000 0.972 198 N HN 0.595 nan 8.380 nan 0.000 0.456 199 S N -0.262 115.067 115.700 -0.618 0.000 2.572 199 S HA 0.393 4.863 4.470 -0.001 0.000 0.279 199 S C 0.835 174.893 174.600 -0.903 0.000 1.341 199 S CA -0.218 57.309 58.200 -1.122 0.000 1.043 199 S CB 1.046 63.351 63.200 -1.491 0.000 0.887 199 S HN 0.588 nan 8.310 nan 0.000 0.516 200 A N 1.723 123.969 122.820 -0.957 0.000 2.687 200 A HA 0.103 4.422 4.320 -0.001 0.000 0.299 200 A C 1.625 179.023 177.584 -0.310 0.000 1.497 200 A CA 0.975 52.646 52.037 -0.610 0.000 0.751 200 A CB -2.225 16.338 19.000 -0.727 0.000 1.048 200 A HN 2.906 nan 8.150 nan 0.000 0.464 201 G N -2.377 106.329 108.800 -0.157 0.000 2.168 201 G HA2 0.380 4.339 3.960 -0.001 0.000 0.263 201 G HA3 0.380 4.339 3.960 -0.001 0.000 0.263 201 G C 1.062 175.827 174.900 -0.225 0.000 0.977 201 G CA 0.953 46.075 45.100 0.037 0.000 0.659 201 G HN 3.208 nan 8.290 nan 0.000 0.533 202 G N -1.479 106.982 108.800 -0.566 0.000 3.224 202 G HA2 0.434 4.393 3.960 -0.001 0.000 0.684 202 G HA3 0.434 4.393 3.960 -0.001 0.000 0.684 202 G C -0.787 173.868 174.900 -0.409 0.000 1.180 202 G CA 0.145 44.711 45.100 -0.891 0.000 1.099 202 G HN 0.961 nan 8.290 nan 0.000 0.476 203 Q N 2.084 121.668 119.800 -0.360 0.000 2.372 203 Q HA 0.573 4.912 4.340 -0.001 0.000 0.273 203 Q C -2.498 173.391 176.000 -0.185 0.000 1.078 203 Q CA -1.732 53.878 55.803 -0.322 0.000 0.806 203 Q CB 3.401 31.946 28.738 -0.321 0.000 1.332 203 Q HN 0.498 nan 8.270 nan 0.000 0.435 204 P HA 0.201 nan 4.420 nan 0.000 0.274 204 P C -0.544 176.922 177.300 0.276 0.000 1.237 204 P CA -0.308 62.813 63.100 0.036 0.000 0.793 204 P CB 0.938 32.594 31.700 -0.073 0.000 0.977 205 V N 1.269 121.396 119.914 0.354 0.000 2.448 205 V HA 0.258 4.377 4.120 -0.001 0.000 0.295 205 V C 0.853 177.030 176.094 0.138 0.000 1.025 205 V CA -0.549 61.914 62.300 0.272 0.000 0.859 205 V CB 1.280 33.222 31.823 0.199 0.000 0.988 205 V HN 0.737 nan 8.190 nan 0.000 0.431 206 S N 4.457 119.980 115.700 -0.296 0.000 2.603 206 S HA 0.386 4.855 4.470 -0.001 0.000 0.268 206 S C 0.975 175.371 174.600 -0.340 0.000 1.317 206 S CA -0.461 57.244 58.200 -0.825 0.000 1.012 206 S CB 0.992 63.383 63.200 -1.349 0.000 0.926 206 S HN 0.627 nan 8.310 nan 0.000 0.539 207 L N 1.493 122.528 121.223 -0.313 0.000 2.141 207 L HA -0.016 4.323 4.340 -0.001 0.000 0.209 207 L C 2.830 179.571 176.870 -0.215 0.000 1.094 207 L CA 1.385 56.084 54.840 -0.235 0.000 0.763 207 L CB -0.897 40.928 42.059 -0.390 0.000 0.908 207 L HN 0.999 nan 8.230 nan 0.000 0.437 208 A N 0.087 122.793 122.820 -0.190 0.000 1.877 208 A HA -0.304 4.016 4.320 -0.001 0.000 0.216 208 A C 1.973 179.454 177.584 -0.172 0.000 1.186 208 A CA 2.258 54.195 52.037 -0.167 0.000 0.620 208 A CB -0.801 18.112 19.000 -0.146 0.000 0.822 208 A HN 0.532 nan 8.150 nan 0.000 0.443 209 N N -0.207 118.402 118.700 -0.152 0.000 2.120 209 N HA -0.081 4.658 4.740 -0.001 0.000 0.188 209 N C 1.575 177.041 175.510 -0.074 0.000 1.024 209 N CA 1.515 54.525 53.050 -0.066 0.000 0.852 209 N CB -0.334 38.162 38.487 0.014 0.000 1.003 209 N HN 0.471 nan 8.380 nan 0.000 0.424 210 L N 0.221 121.389 121.223 -0.091 0.000 2.046 210 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 210 L C 2.298 179.048 176.870 -0.201 0.000 1.077 210 L CA 1.111 55.901 54.840 -0.084 0.000 0.747 210 L CB -0.336 41.709 42.059 -0.024 0.000 0.896 210 L HN 0.218 nan 8.230 nan 0.000 0.432 211 K N 0.054 120.188 120.400 -0.443 0.000 2.026 211 K HA -0.172 4.148 4.320 -0.001 0.000 0.208 211 K C 2.253 178.703 176.600 -0.249 0.000 1.048 211 K CA 1.469 57.349 56.287 -0.677 0.000 0.929 211 K CB -0.305 31.762 32.500 -0.721 0.000 0.713 211 K HN 0.276 nan 8.250 nan 0.000 0.439 212 A N 1.878 124.587 122.820 -0.186 0.000 1.908 212 A HA -0.206 4.114 4.320 -0.001 0.000 0.218 212 A C 2.126 179.643 177.584 -0.112 0.000 1.181 212 A CA 1.626 53.594 52.037 -0.115 0.000 0.627 212 A CB -0.521 18.426 19.000 -0.089 0.000 0.818 212 A HN 0.287 nan 8.150 nan 0.000 0.445 213 M N -1.704 117.798 119.600 -0.163 0.000 2.117 213 M HA -0.158 4.322 4.480 -0.001 0.000 0.262 213 M C 2.067 178.285 176.300 -0.137 0.000 1.065 213 M CA 2.041 57.177 55.300 -0.273 0.000 1.114 213 M CB -0.832 31.390 32.600 -0.631 0.000 1.361 213 M HN 0.506 nan 8.290 nan 0.000 0.408 214 Y N 1.564 121.774 120.300 -0.149 0.000 2.242 214 Y HA -0.211 4.339 4.550 -0.001 0.000 0.291 214 Y C 2.811 178.708 175.900 -0.005 0.000 1.137 214 Y CA 2.328 60.410 58.100 -0.030 0.000 1.181 214 Y CB -0.614 37.915 38.460 0.115 0.000 0.989 214 Y HN 0.564 nan 8.280 nan 0.000 0.527 215 S N -0.187 115.504 115.700 -0.015 0.000 2.370 215 S HA -0.240 4.229 4.470 -0.001 0.000 0.226 215 S C 2.058 176.586 174.600 -0.120 0.000 1.033 215 S CA 1.709 59.864 58.200 -0.074 0.000 1.011 215 S CB -1.112 62.067 63.200 -0.035 0.000 0.852 215 S HN 0.523 nan 8.310 nan 0.000 0.457 216 I N 2.276 122.794 120.570 -0.086 0.000 2.179 216 I HA -0.142 4.028 4.170 -0.001 0.000 0.242 216 I C 3.132 179.269 176.117 0.035 0.000 1.088 216 I CA 1.207 62.497 61.300 -0.018 0.000 1.357 216 I CB -0.738 37.254 38.000 -0.014 0.000 1.051 216 I HN 0.449 nan 8.210 nan 0.000 0.409 217 A N 0.632 123.413 122.820 -0.065 0.000 1.902 217 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 217 A C 2.383 179.900 177.584 -0.112 0.000 1.181 217 A CA 1.893 53.902 52.037 -0.047 0.000 0.623 217 A CB -0.530 18.415 19.000 -0.091 0.000 0.818 217 A HN 0.349 nan 8.150 nan 0.000 0.443 218 K N -0.108 120.100 120.400 -0.321 0.000 2.097 218 K HA -0.177 4.142 4.320 -0.001 0.000 0.206 218 K C 2.149 178.651 176.600 -0.164 0.000 1.049 218 K CA 1.731 57.832 56.287 -0.310 0.000 0.933 218 K CB -0.178 32.066 32.500 -0.427 0.000 0.717 218 K HN 0.443 nan 8.250 nan 0.000 0.442 219 K N -0.335 119.954 120.400 -0.185 0.000 2.057 219 K HA -0.169 4.150 4.320 -0.001 0.000 0.207 219 K C 1.040 177.446 176.600 -0.323 0.000 1.049 219 K CA 1.571 57.689 56.287 -0.282 0.000 0.931 219 K CB -0.050 32.201 32.500 -0.415 0.000 0.714 219 K HN 0.243 nan 8.250 nan 0.000 0.440 220 Y N 0.579 120.844 120.300 -0.057 0.000 2.493 220 Y HA 0.068 4.617 4.550 -0.001 0.000 0.275 220 Y C -0.130 175.763 175.900 -0.011 0.000 1.183 220 Y CA -0.161 57.922 58.100 -0.029 0.000 1.258 220 Y CB 0.310 38.756 38.460 -0.024 0.000 1.108 220 Y HN 0.173 nan 8.280 nan 0.000 0.521 221 D N 1.424 121.871 120.400 0.079 0.000 2.697 221 D HA -0.227 4.412 4.640 -0.001 0.000 0.235 221 D C -0.728 175.645 176.300 0.122 0.000 1.167 221 D CA 0.608 54.654 54.000 0.076 0.000 0.656 221 D CB -1.114 39.726 40.800 0.066 0.000 1.025 221 D HN 0.380 nan 8.370 nan 0.000 0.419 222 I N 0.577 121.223 120.570 0.128 0.000 2.378 222 I HA 0.324 4.493 4.170 -0.001 0.000 0.291 222 I C -1.888 174.356 176.117 0.212 0.000 0.992 222 I CA -2.177 59.224 61.300 0.167 0.000 1.154 222 I CB 1.786 39.877 38.000 0.152 0.000 1.315 222 I HN -0.116 nan 8.210 nan 0.000 0.448 223 P HA 0.019 nan 4.420 nan 0.000 0.265 223 P C -0.801 176.681 177.300 0.302 0.000 1.193 223 P CA 0.050 63.398 63.100 0.412 0.000 0.765 223 P CB 0.555 32.568 31.700 0.520 0.000 0.823 224 V N 5.169 125.214 119.914 0.218 0.000 2.384 224 V HA 0.249 4.369 4.120 -0.001 0.000 0.287 224 V C 0.062 176.207 176.094 0.085 0.000 1.020 224 V CA -0.552 61.870 62.300 0.202 0.000 0.850 224 V CB 2.037 34.031 31.823 0.285 0.000 0.987 224 V HN 0.196 nan 8.190 nan 0.000 0.436 225 V N 6.100 126.067 119.914 0.088 0.000 2.370 225 V HA 0.426 4.545 4.120 -0.001 0.000 0.283 225 V C 0.014 176.119 176.094 0.018 0.000 1.023 225 V CA -0.524 61.741 62.300 -0.058 0.000 0.857 225 V CB 1.549 33.209 31.823 -0.272 0.000 0.985 225 V HN 0.884 nan 8.190 nan 0.000 0.443 226 M N 4.689 124.277 119.600 -0.019 0.000 2.094 226 M HA 0.304 4.783 4.480 -0.001 0.000 0.348 226 M C -0.134 176.178 176.300 0.020 0.000 1.267 226 M CA -0.061 55.233 55.300 -0.009 0.000 1.125 226 M CB 0.347 32.857 32.600 -0.151 0.000 1.527 226 M HN 0.636 nan 8.290 nan 0.000 0.447 227 D N 3.056 123.504 120.400 0.080 0.000 2.374 227 D HA 0.123 4.762 4.640 -0.001 0.000 0.240 227 D C -0.625 175.726 176.300 0.085 0.000 1.229 227 D CA 0.163 54.210 54.000 0.078 0.000 0.895 227 D CB 0.575 41.456 40.800 0.136 0.000 1.046 227 D HN 0.647 nan 8.370 nan 0.000 0.498 228 S N 2.143 117.886 115.700 0.071 0.000 2.384 228 S HA 0.427 4.896 4.470 -0.001 0.000 0.227 228 S C 1.203 175.930 174.600 0.212 0.000 1.257 228 S CA -0.438 57.870 58.200 0.181 0.000 1.249 228 S CB 1.051 64.420 63.200 0.281 0.000 1.018 228 S HN 0.358 nan 8.310 nan 0.000 0.478 229 A N 2.090 124.966 122.820 0.092 0.000 2.019 229 A HA 0.034 4.353 4.320 -0.001 0.000 0.219 229 A C 1.680 179.373 177.584 0.182 0.000 1.164 229 A CA 0.766 52.856 52.037 0.088 0.000 0.644 229 A CB -0.174 18.789 19.000 -0.063 0.000 0.805 229 A HN 0.616 nan 8.150 nan 0.000 0.449 230 R N -0.517 120.101 120.500 0.197 0.000 2.903 230 R HA 0.235 4.574 4.340 -0.001 0.000 0.363 230 R C 0.639 177.068 176.300 0.214 0.000 1.161 230 R CA -0.156 56.041 56.100 0.161 0.000 1.109 230 R CB -0.030 30.338 30.300 0.114 0.000 1.399 230 R HN 0.634 nan 8.270 nan 0.000 0.587 231 F N -0.625 119.445 119.950 0.200 0.000 2.216 231 F HA -0.011 4.515 4.527 -0.001 0.000 0.300 231 F C 1.907 177.848 175.800 0.234 0.000 1.085 231 F CA 1.153 59.315 58.000 0.271 0.000 1.326 231 F CB -0.330 38.903 39.000 0.389 0.000 1.027 231 F HN 0.037 nan 8.300 nan 0.000 0.497 232 A N 0.614 122.875 122.820 -0.931 0.000 1.897 232 A HA -0.090 4.229 4.320 -0.001 0.000 0.215 232 A C 2.199 179.660 177.584 -0.205 0.000 1.181 232 A CA 1.429 53.068 52.037 -0.663 0.000 0.620 232 A CB -0.830 17.694 19.000 -0.793 0.000 0.821 232 A HN 0.546 nan 8.150 nan 0.000 0.443 233 E N -0.476 119.646 120.200 -0.130 0.000 2.106 233 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 233 E C 1.883 178.572 176.600 0.148 0.000 0.984 233 E CA 1.124 57.490 56.400 -0.056 0.000 0.806 233 E CB -0.204 29.512 29.700 0.026 0.000 0.750 233 E HN 0.690 nan 8.360 nan 0.000 0.458 234 N N 0.799 119.655 118.700 0.260 0.000 2.142 234 N HA -0.138 4.601 4.740 -0.001 0.000 0.186 234 N C 1.702 177.384 175.510 0.287 0.000 1.023 234 N CA 1.386 54.662 53.050 0.377 0.000 0.852 234 N CB -0.049 38.630 38.487 0.320 0.000 0.998 234 N HN 0.123 nan 8.380 nan 0.000 0.424 235 A N -0.760 122.172 122.820 0.187 0.000 1.972 235 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 235 A C 2.099 179.747 177.584 0.107 0.000 1.169 235 A CA 1.224 53.347 52.037 0.142 0.000 0.635 235 A CB -1.075 18.006 19.000 0.135 0.000 0.810 235 A HN 0.610 nan 8.150 nan 0.000 0.446 236 Y N -0.805 119.450 120.300 -0.074 0.000 2.220 236 Y HA -0.130 4.419 4.550 -0.001 0.000 0.291 236 Y C 1.797 177.599 175.900 -0.163 0.000 1.129 236 Y CA 1.581 59.572 58.100 -0.182 0.000 1.161 236 Y CB -0.354 37.873 38.460 -0.389 0.000 0.997 236 Y HN 0.260 nan 8.280 nan 0.000 0.522 237 F N -0.087 119.881 119.950 0.030 0.000 2.234 237 F HA -0.177 4.349 4.527 -0.001 0.000 0.299 237 F C 2.245 178.039 175.800 -0.010 0.000 1.087 237 F CA 1.265 59.219 58.000 -0.076 0.000 1.340 237 F CB -0.711 38.275 39.000 -0.023 0.000 1.031 237 F HN 0.057 nan 8.300 nan 0.000 0.500 238 I N -0.134 120.616 120.570 0.300 0.000 2.202 238 I HA -0.304 3.866 4.170 -0.001 0.000 0.242 238 I C 2.540 178.749 176.117 0.152 0.000 1.091 238 I CA 1.353 62.840 61.300 0.311 0.000 1.368 238 I CB -0.415 37.657 38.000 0.120 0.000 1.058 238 I HN 0.049 nan 8.210 nan 0.000 0.410 239 K N 0.736 121.145 120.400 0.015 0.000 2.097 239 K HA -0.266 4.054 4.320 -0.001 0.000 0.206 239 K C 2.199 178.736 176.600 -0.104 0.000 1.049 239 K CA 1.583 57.857 56.287 -0.022 0.000 0.933 239 K CB -0.042 32.422 32.500 -0.060 0.000 0.717 239 K HN 0.312 nan 8.250 nan 0.000 0.442 240 Q N -0.085 119.563 119.800 -0.254 0.000 2.137 240 Q HA -0.079 4.260 4.340 -0.001 0.000 0.198 240 Q C 1.474 177.425 176.000 -0.082 0.000 0.960 240 Q CA 1.101 56.754 55.803 -0.250 0.000 0.847 240 Q CB 0.316 28.786 28.738 -0.446 0.000 0.915 240 Q HN 0.267 nan 8.270 nan 0.000 0.448 241 R N -0.503 119.997 120.500 0.001 0.000 2.316 241 R HA 0.183 4.523 4.340 -0.001 0.000 0.201 241 R C 0.045 176.473 176.300 0.214 0.000 0.888 241 R CA -0.016 56.107 56.100 0.038 0.000 1.041 241 R CB 0.590 30.774 30.300 -0.193 0.000 1.115 241 R HN 0.066 nan 8.270 nan 0.000 0.559 242 E N 1.288 121.672 120.200 0.307 0.000 2.014 242 E HA 0.241 4.590 4.350 -0.001 0.000 0.275 242 E C 0.609 177.238 176.600 0.049 0.000 0.997 242 E CA -0.244 56.278 56.400 0.204 0.000 0.804 242 E CB 1.068 30.882 29.700 0.189 0.000 1.090 242 E HN 0.224 nan 8.360 nan 0.000 0.401 243 A N 4.571 127.384 122.820 -0.011 0.000 1.915 243 A HA -0.333 3.987 4.320 -0.001 0.000 0.220 243 A C 1.946 179.433 177.584 -0.161 0.000 1.198 243 A CA 2.230 54.228 52.037 -0.064 0.000 0.647 243 A CB -0.530 18.434 19.000 -0.060 0.000 0.825 243 A HN 0.869 nan 8.150 nan 0.000 0.456 244 E N -1.684 118.325 120.200 -0.319 0.000 2.171 244 E HA -0.229 4.120 4.350 -0.001 0.000 0.197 244 E C 0.854 176.950 176.600 -0.841 0.000 0.997 244 E CA 1.522 57.561 56.400 -0.602 0.000 0.810 244 E CB -0.187 28.982 29.700 -0.885 0.000 0.738 244 E HN 0.799 nan 8.360 nan 0.000 0.467 245 Y N -0.088 120.010 120.300 -0.337 0.000 2.555 245 Y HA 0.222 4.771 4.550 -0.002 0.000 0.259 245 Y C 1.685 177.524 175.900 -0.101 0.000 1.179 245 Y CA -0.215 57.588 58.100 -0.495 0.000 1.230 245 Y CB 0.122 38.247 38.460 -0.558 0.000 1.146 245 Y HN -0.063 nan 8.280 nan 0.000 0.526 246 K N 0.814 121.236 120.400 0.036 0.000 2.089 246 K HA -0.222 4.097 4.320 -0.001 0.000 0.210 246 K C 0.450 177.136 176.600 0.143 0.000 1.048 246 K CA 2.245 58.576 56.287 0.072 0.000 0.926 246 K CB -0.033 32.487 32.500 0.033 0.000 0.714 246 K HN 0.256 nan 8.250 nan 0.000 0.448 247 D N -0.832 119.704 120.400 0.227 0.000 2.339 247 D HA -0.003 4.637 4.640 -0.001 0.000 0.217 247 D C -0.318 176.187 176.300 0.341 0.000 1.050 247 D CA 0.168 54.311 54.000 0.239 0.000 0.856 247 D CB 0.032 40.942 40.800 0.184 0.000 0.922 247 D HN 0.151 nan 8.370 nan 0.000 0.518 248 W N 2.284 123.642 121.300 0.096 0.000 2.251 248 W HA 0.172 4.832 4.660 0.000 0.000 0.329 248 W C 1.264 177.833 176.519 0.084 0.000 1.234 248 W CA -0.796 56.616 57.345 0.112 0.000 1.228 248 W CB 0.312 29.887 29.460 0.193 0.000 1.135 248 W HN -0.262 nan 8.180 nan 0.000 0.576 249 T N 0.222 114.925 114.554 0.249 0.000 2.828 249 T HA 0.171 4.520 4.350 -0.001 0.000 0.290 249 T C 1.242 176.062 174.700 0.200 0.000 1.019 249 T CA -0.689 61.513 62.100 0.171 0.000 1.031 249 T CB 0.843 69.769 68.868 0.096 0.000 1.001 249 T HN 0.261 nan 8.240 nan 0.000 0.531 250 I N 0.803 121.466 120.570 0.155 0.000 2.264 250 I HA -0.114 4.055 4.170 -0.001 0.000 0.248 250 I C 2.436 178.634 176.117 0.136 0.000 1.111 250 I CA 1.504 62.890 61.300 0.143 0.000 1.382 250 I CB -1.474 36.597 38.000 0.118 0.000 1.060 250 I HN 0.734 nan 8.210 nan 0.000 0.418 251 E N 0.668 120.933 120.200 0.110 0.000 2.077 251 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 251 E C 2.240 178.891 176.600 0.086 0.000 0.989 251 E CA 1.071 57.512 56.400 0.069 0.000 0.800 251 E CB -0.252 29.482 29.700 0.056 0.000 0.746 251 E HN 0.533 nan 8.360 nan 0.000 0.452 252 Q N -0.088 119.790 119.800 0.128 0.000 2.079 252 Q HA -0.073 4.267 4.340 -0.001 0.000 0.200 252 Q C 2.239 178.476 176.000 0.394 0.000 0.974 252 Q CA 1.018 56.924 55.803 0.172 0.000 0.840 252 Q CB -0.107 28.657 28.738 0.044 0.000 0.898 252 Q HN 0.330 nan 8.270 nan 0.000 0.430 253 I N 0.312 121.119 120.570 0.395 0.000 2.286 253 I HA -0.247 3.922 4.170 -0.001 0.000 0.248 253 I C 2.048 178.267 176.117 0.170 0.000 1.115 253 I CA 1.068 62.508 61.300 0.234 0.000 1.392 253 I CB -0.211 37.856 38.000 0.112 0.000 1.065 253 I HN 0.211 nan 8.210 nan 0.000 0.418 254 T N -0.103 114.567 114.554 0.194 0.000 2.812 254 T HA -0.163 4.186 4.350 -0.001 0.000 0.264 254 T C 2.010 176.847 174.700 0.229 0.000 1.042 254 T CA 1.101 63.348 62.100 0.245 0.000 1.140 254 T CB -0.175 68.784 68.868 0.151 0.000 0.870 254 T HN 0.125 nan 8.240 nan 0.000 0.445 255 R N 1.458 122.028 120.500 0.117 0.000 2.081 255 R HA -0.062 4.277 4.340 -0.001 0.000 0.235 255 R C 2.285 178.673 176.300 0.147 0.000 1.131 255 R CA 1.686 57.840 56.100 0.090 0.000 0.960 255 R CB -0.578 29.751 30.300 0.048 0.000 0.856 255 R HN 0.327 nan 8.270 nan 0.000 0.436 256 E N -0.864 119.457 120.200 0.200 0.000 2.051 256 E HA -0.113 4.237 4.350 -0.001 0.000 0.192 256 E C 1.668 178.327 176.600 0.099 0.000 0.991 256 E CA 2.172 58.685 56.400 0.188 0.000 0.799 256 E CB -0.471 29.425 29.700 0.325 0.000 0.748 256 E HN 0.324 nan 8.360 nan 0.000 0.449 257 T N -0.338 114.297 114.554 0.134 0.000 2.665 257 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 257 T C 1.195 175.868 174.700 -0.045 0.000 1.035 257 T CA 1.724 63.885 62.100 0.102 0.000 1.151 257 T CB -0.546 68.391 68.868 0.115 0.000 0.862 257 T HN 0.307 nan 8.240 nan 0.000 0.438 258 Y N 1.101 121.393 120.300 -0.014 0.000 2.578 258 Y HA 0.124 4.673 4.550 -0.001 0.000 0.297 258 Y C 2.167 177.997 175.900 -0.118 0.000 1.176 258 Y CA 0.283 58.363 58.100 -0.034 0.000 1.315 258 Y CB -0.164 38.253 38.460 -0.072 0.000 1.031 258 Y HN 0.149 nan 8.280 nan 0.000 0.524 259 K N -0.596 119.593 120.400 -0.352 0.000 2.365 259 K HA -0.084 4.235 4.320 -0.001 0.000 0.199 259 K C -0.311 175.628 176.600 -1.101 0.000 1.045 259 K CA 0.740 56.628 56.287 -0.666 0.000 0.962 259 K CB 0.013 31.976 32.500 -0.896 0.000 0.759 259 K HN 0.328 nan 8.250 nan 0.000 0.469 260 Y N 0.304 120.336 120.300 -0.447 0.000 2.867 260 Y HA 0.413 4.963 4.550 -0.001 0.000 0.351 260 Y C 0.061 175.492 175.900 -0.781 0.000 1.046 260 Y CA -0.830 56.779 58.100 -0.819 0.000 1.520 260 Y CB 0.301 38.568 38.460 -0.320 0.000 1.337 260 Y HN -0.091 nan 8.280 nan 0.000 0.525 261 A N -0.810 121.603 122.820 -0.678 0.000 2.608 261 A HA 0.496 4.815 4.320 -0.001 0.000 0.292 261 A C -0.201 177.254 177.584 -0.217 0.000 1.066 261 A CA -0.699 51.209 52.037 -0.216 0.000 0.676 261 A CB 0.976 19.921 19.000 -0.091 0.000 1.277 261 A HN 0.169 nan 8.150 nan 0.000 0.413 262 D N 0.341 120.626 120.400 -0.192 0.000 2.355 262 D HA 0.162 4.801 4.640 -0.001 0.000 0.206 262 D C 0.566 176.465 176.300 -0.668 0.000 1.010 262 D CA 1.541 55.187 54.000 -0.590 0.000 0.875 262 D CB 0.258 40.410 40.800 -1.080 0.000 0.966 262 D HN 0.701 nan 8.370 nan 0.000 0.512 263 M N -0.424 119.003 119.600 -0.288 0.000 2.833 263 M HA 0.483 4.963 4.480 -0.001 0.000 0.270 263 M C -2.107 174.249 176.300 0.092 0.000 1.209 263 M CA -1.206 54.049 55.300 -0.076 0.000 0.826 263 M CB 2.459 34.957 32.600 -0.170 0.000 1.657 263 M HN -0.217 nan 8.290 nan 0.000 0.492 264 L N -0.242 121.029 121.223 0.079 0.000 2.388 264 L HA 1.109 5.448 4.340 -0.001 0.000 0.264 264 L C -1.355 175.434 176.870 -0.135 0.000 0.998 264 L CA -0.677 54.127 54.840 -0.060 0.000 0.817 264 L CB 2.038 43.978 42.059 -0.199 0.000 1.338 264 L HN 0.937 nan 8.230 nan 0.000 0.414 265 A N 4.593 127.340 122.820 -0.122 0.000 2.359 265 A HA 0.951 5.270 4.320 -0.001 0.000 0.303 265 A C -0.638 176.918 177.584 -0.046 0.000 1.066 265 A CA -0.344 51.659 52.037 -0.058 0.000 0.730 265 A CB 1.320 20.343 19.000 0.039 0.000 1.211 265 A HN 1.158 nan 8.150 nan 0.000 0.439 266 M N 0.857 120.421 119.600 -0.060 0.000 2.471 266 M HA 0.639 5.119 4.480 -0.001 0.000 0.284 266 M C -0.646 175.634 176.300 -0.034 0.000 1.203 266 M CA -0.458 54.810 55.300 -0.054 0.000 0.915 266 M CB 1.843 34.394 32.600 -0.082 0.000 1.734 266 M HN 0.540 nan 8.290 nan 0.000 0.485 267 S N 0.905 116.591 115.700 -0.022 0.000 2.537 267 S HA 0.702 5.171 4.470 -0.001 0.000 0.275 267 S C 0.731 175.349 174.600 0.030 0.000 1.272 267 S CA 0.115 58.316 58.200 0.001 0.000 1.050 267 S CB 1.338 64.537 63.200 -0.002 0.000 0.961 267 S HN 0.896 nan 8.310 nan 0.000 0.496 268 A N 4.638 127.481 122.820 0.039 0.000 2.251 268 A HA 0.240 4.560 4.320 -0.001 0.000 0.209 268 A C 1.509 179.137 177.584 0.073 0.000 1.187 268 A CA 0.069 52.145 52.037 0.065 0.000 0.823 268 A CB -0.166 18.864 19.000 0.050 0.000 0.846 268 A HN 0.881 nan 8.150 nan 0.000 0.486 269 K N -0.066 120.371 120.400 0.062 0.000 2.569 269 K HA 0.041 4.360 4.320 -0.001 0.000 0.193 269 K C 0.662 177.305 176.600 0.072 0.000 1.026 269 K CA 0.332 56.656 56.287 0.062 0.000 1.093 269 K CB 0.181 32.718 32.500 0.060 0.000 0.849 269 K HN 0.235 nan 8.250 nan 0.000 0.509 270 K N 0.510 120.961 120.400 0.085 0.000 4.643 270 K HA 0.082 4.401 4.320 -0.001 0.000 0.226 270 K C 1.151 177.822 176.600 0.119 0.000 1.147 270 K CA -0.035 56.306 56.287 0.091 0.000 1.941 270 K CB -0.641 31.899 32.500 0.067 0.000 2.803 270 K HN -0.205 nan 8.250 nan 0.000 0.590 271 D N 1.797 122.275 120.400 0.129 0.000 2.182 271 D HA -0.098 4.541 4.640 -0.001 0.000 0.201 271 D C 1.394 177.794 176.300 0.167 0.000 0.986 271 D CA 1.226 55.298 54.000 0.122 0.000 0.847 271 D CB -0.146 40.631 40.800 -0.037 0.000 0.942 271 D HN 0.428 nan 8.370 nan 0.000 0.467 272 A N 0.200 123.156 122.820 0.226 0.000 2.239 272 A HA -0.025 4.294 4.320 -0.001 0.000 0.209 272 A C 1.023 178.661 177.584 0.090 0.000 1.171 272 A CA 0.543 52.705 52.037 0.208 0.000 0.768 272 A CB -0.331 18.788 19.000 0.198 0.000 0.790 272 A HN 0.166 nan 8.150 nan 0.000 0.478 273 M N -2.430 117.206 119.600 0.060 0.000 2.856 273 M HA -0.169 4.310 4.480 -0.001 0.000 0.189 273 M C 0.292 176.579 176.300 -0.022 0.000 0.612 273 M CA 1.045 56.336 55.300 -0.015 0.000 0.673 273 M CB -3.053 29.480 32.600 -0.111 0.000 2.440 273 M HN 0.712 nan 8.290 nan 0.000 0.437 274 V N -1.589 118.333 119.914 0.013 0.000 2.732 274 V HA 0.629 4.748 4.120 -0.001 0.000 0.310 274 V C -1.292 174.812 176.094 0.016 0.000 1.053 274 V CA -1.269 61.035 62.300 0.007 0.000 0.957 274 V CB 1.368 33.203 31.823 0.019 0.000 1.018 274 V HN 0.010 nan 8.190 nan 0.000 0.452 275 P HA 0.104 nan 4.420 nan 0.000 0.236 275 P C 0.031 177.349 177.300 0.031 0.000 1.177 275 P CA 0.842 63.953 63.100 0.018 0.000 0.773 275 P CB 0.404 32.108 31.700 0.006 0.000 0.878 276 M N -1.497 118.124 119.600 0.034 0.000 2.643 276 M HA 0.502 4.981 4.480 -0.001 0.000 0.276 276 M C -1.581 174.750 176.300 0.051 0.000 1.200 276 M CA 0.071 55.399 55.300 0.046 0.000 0.863 276 M CB 2.129 34.757 32.600 0.046 0.000 1.711 276 M HN 0.121 nan 8.290 nan 0.000 0.492 277 G N 0.803 109.640 108.800 0.061 0.000 2.515 277 G HA2 0.395 4.355 3.960 -0.001 0.000 0.686 277 G HA3 0.395 4.355 3.960 -0.001 0.000 0.686 277 G C -1.049 173.873 174.900 0.037 0.000 1.274 277 G CA -0.366 44.769 45.100 0.059 0.000 0.874 277 G HN 1.374 nan 8.290 nan 0.000 0.631 278 G N -1.222 107.590 108.800 0.020 0.000 2.645 278 G HA2 0.851 4.810 3.960 -0.001 0.000 0.292 278 G HA3 0.851 4.810 3.960 -0.001 0.000 0.292 278 G C -1.368 173.522 174.900 -0.016 0.000 1.415 278 G CA -0.622 44.476 45.100 -0.003 0.000 0.785 278 G HN 1.240 nan 8.290 nan 0.000 0.483 279 L N -0.505 120.695 121.223 -0.038 0.000 2.434 279 L HA 0.694 5.034 4.340 -0.001 0.000 0.260 279 L C -1.528 175.314 176.870 -0.047 0.000 0.983 279 L CA -0.972 53.839 54.840 -0.048 0.000 0.820 279 L CB 2.589 44.586 42.059 -0.103 0.000 1.361 279 L HN 0.471 nan 8.230 nan 0.000 0.410 280 L N 2.288 123.503 121.223 -0.012 0.000 2.457 280 L HA 0.652 4.991 4.340 -0.001 0.000 0.266 280 L C -1.218 175.678 176.870 0.043 0.000 0.979 280 L CA -0.033 54.815 54.840 0.013 0.000 0.857 280 L CB 1.220 43.311 42.059 0.053 0.000 1.213 280 L HN 0.659 nan 8.230 nan 0.000 0.418 281 C N 4.551 123.864 119.300 0.021 0.000 2.707 281 C HA 0.842 5.301 4.460 -0.001 0.000 0.313 281 C C -0.267 174.811 174.990 0.146 0.000 1.209 281 C CA -0.747 58.325 59.018 0.090 0.000 1.635 281 C CB 1.783 29.547 27.740 0.039 0.000 2.206 281 C HN 0.777 nan 8.230 nan 0.000 0.485 282 M N 1.695 121.371 119.600 0.127 0.000 2.383 282 M HA 0.404 4.883 4.480 -0.001 0.000 0.325 282 M C 0.998 177.164 176.300 -0.223 0.000 1.092 282 M CA -0.234 55.064 55.300 -0.003 0.000 0.961 282 M CB 1.243 33.926 32.600 0.138 0.000 1.672 282 M HN 0.704 nan 8.290 nan 0.000 0.438 283 K N 1.005 120.935 120.400 -0.782 0.000 1.985 283 K HA -0.136 4.183 4.320 -0.001 0.000 0.210 283 K C -0.263 176.140 176.600 -0.329 0.000 1.047 283 K CA 2.152 57.822 56.287 -1.028 0.000 0.932 283 K CB 0.308 32.133 32.500 -1.125 0.000 0.716 283 K HN 0.962 nan 8.250 nan 0.000 0.439 284 D N -2.669 117.677 120.400 -0.090 0.000 2.812 284 D HA 0.101 4.740 4.640 -0.001 0.000 0.318 284 D C 0.154 176.670 176.300 0.360 0.000 1.234 284 D CA -0.632 53.423 54.000 0.092 0.000 0.989 284 D CB 0.048 40.863 40.800 0.024 0.000 1.442 284 D HN -0.206 nan 8.370 nan 0.000 0.537 285 D N -0.350 120.261 120.400 0.351 0.000 2.190 285 D HA -0.189 4.451 4.640 -0.001 0.000 0.200 285 D C 1.911 178.391 176.300 0.300 0.000 0.992 285 D CA 2.037 56.266 54.000 0.381 0.000 0.854 285 D CB -0.415 40.513 40.800 0.212 0.000 0.936 285 D HN 0.462 nan 8.370 nan 0.000 0.462 286 S N -0.303 115.554 115.700 0.262 0.000 2.440 286 S HA -0.191 4.279 4.470 -0.001 0.000 0.240 286 S C 1.362 176.144 174.600 0.303 0.000 1.014 286 S CA 0.769 59.127 58.200 0.262 0.000 0.980 286 S CB -0.583 62.800 63.200 0.304 0.000 0.775 286 S HN 0.270 nan 8.310 nan 0.000 0.499 287 F N 0.071 120.084 119.950 0.106 0.000 2.791 287 F HA 0.439 4.965 4.527 -0.001 0.000 0.308 287 F C 1.002 176.827 175.800 0.040 0.000 1.138 287 F CA -1.047 56.995 58.000 0.069 0.000 1.294 287 F CB 0.272 39.291 39.000 0.032 0.000 0.975 287 F HN 0.160 nan 8.300 nan 0.000 0.512 288 F N 1.003 120.963 119.950 0.017 0.000 2.146 288 F HA -0.184 4.342 4.527 -0.001 0.000 0.298 288 F C 2.018 177.777 175.800 -0.068 0.000 1.096 288 F CA 1.806 59.715 58.000 -0.151 0.000 1.275 288 F CB -0.030 38.908 39.000 -0.103 0.000 1.008 288 F HN -0.054 nan 8.300 nan 0.000 0.480 289 D N -0.061 120.433 120.400 0.156 0.000 2.178 289 D HA -0.125 4.515 4.640 -0.001 0.000 0.202 289 D C 2.480 178.731 176.300 -0.082 0.000 0.974 289 D CA 1.324 55.350 54.000 0.043 0.000 0.841 289 D CB -0.231 40.594 40.800 0.041 0.000 0.953 289 D HN 0.259 nan 8.370 nan 0.000 0.478 290 V N 0.817 120.685 119.914 -0.077 0.000 2.453 290 V HA -0.229 3.890 4.120 -0.001 0.000 0.247 290 V C 2.193 178.270 176.094 -0.028 0.000 1.048 290 V CA 1.055 63.331 62.300 -0.039 0.000 1.049 290 V CB -0.650 31.195 31.823 0.038 0.000 0.672 290 V HN 0.155 nan 8.190 nan 0.000 0.457 291 Y N 1.878 122.042 120.300 -0.226 0.000 2.145 291 Y HA -0.241 4.308 4.550 -0.001 0.000 0.286 291 Y C 2.582 178.272 175.900 -0.351 0.000 1.145 291 Y CA 2.204 60.111 58.100 -0.321 0.000 1.148 291 Y CB -0.945 37.138 38.460 -0.628 0.000 0.981 291 Y HN 0.218 nan 8.280 nan 0.000 0.507 292 T N 0.885 115.018 114.554 -0.702 0.000 2.622 292 T HA -0.235 4.114 4.350 -0.001 0.000 0.266 292 T C 1.641 176.109 174.700 -0.386 0.000 1.047 292 T CA 2.076 63.785 62.100 -0.652 0.000 1.159 292 T CB -0.371 68.263 68.868 -0.389 0.000 0.863 292 T HN 0.492 nan 8.240 nan 0.000 0.422 293 E N 0.052 120.110 120.200 -0.236 0.000 2.118 293 E HA -0.145 4.204 4.350 -0.001 0.000 0.195 293 E C 2.526 179.037 176.600 -0.150 0.000 0.992 293 E CA 1.241 57.551 56.400 -0.150 0.000 0.804 293 E CB -0.341 29.304 29.700 -0.091 0.000 0.741 293 E HN 0.478 nan 8.360 nan 0.000 0.458 294 C N 0.389 119.597 119.300 -0.153 0.000 2.453 294 C HA -0.065 4.394 4.460 -0.001 0.000 0.277 294 C C 2.692 177.581 174.990 -0.168 0.000 1.262 294 C CA 0.442 59.393 59.018 -0.112 0.000 1.718 294 C CB -0.814 26.905 27.740 -0.035 0.000 2.031 294 C HN 0.413 nan 8.230 nan 0.000 0.480 295 R N 0.598 120.925 120.500 -0.288 0.000 2.080 295 R HA -0.156 4.183 4.340 -0.001 0.000 0.236 295 R C 2.104 178.267 176.300 -0.229 0.000 1.137 295 R CA 2.221 58.139 56.100 -0.303 0.000 0.943 295 R CB -0.674 29.302 30.300 -0.539 0.000 0.846 295 R HN 0.489 nan 8.270 nan 0.000 0.431 296 T N 1.911 116.326 114.554 -0.231 0.000 2.652 296 T HA -0.185 4.164 4.350 -0.001 0.000 0.267 296 T C 1.659 176.274 174.700 -0.141 0.000 1.039 296 T CA 1.466 63.468 62.100 -0.163 0.000 1.153 296 T CB -0.348 68.436 68.868 -0.140 0.000 0.863 296 T HN 0.190 nan 8.240 nan 0.000 0.428 297 L N 1.174 122.317 121.223 -0.133 0.000 2.187 297 L HA 0.014 4.353 4.340 -0.001 0.000 0.213 297 L C 2.459 179.249 176.870 -0.135 0.000 1.100 297 L CA 1.573 56.341 54.840 -0.119 0.000 0.765 297 L CB -0.966 41.034 42.059 -0.099 0.000 0.904 297 L HN 0.173 nan 8.230 nan 0.000 0.437 298 S N -1.850 113.765 115.700 -0.142 0.000 2.423 298 S HA -0.091 4.379 4.470 -0.001 0.000 0.231 298 S C 1.796 176.299 174.600 -0.162 0.000 1.014 298 S CA 1.240 59.353 58.200 -0.144 0.000 0.965 298 S CB -0.169 62.948 63.200 -0.138 0.000 0.785 298 S HN 0.340 nan 8.310 nan 0.000 0.495 299 V N 1.459 121.268 119.914 -0.175 0.000 2.331 299 V HA 0.010 4.130 4.120 -0.001 0.000 0.242 299 V C 1.950 177.882 176.094 -0.270 0.000 1.034 299 V CA 1.470 63.634 62.300 -0.227 0.000 1.027 299 V CB -0.324 31.380 31.823 -0.198 0.000 0.667 299 V HN 0.603 nan 8.190 nan 0.000 0.457 300 V N -1.420 118.367 119.914 -0.212 0.000 3.252 300 V HA 0.168 4.288 4.120 -0.001 0.000 0.350 300 V C 1.744 177.705 176.094 -0.222 0.000 1.329 300 V CA 0.308 62.476 62.300 -0.219 0.000 1.258 300 V CB -0.146 31.603 31.823 -0.122 0.000 1.208 300 V HN 0.441 nan 8.190 nan 0.000 0.462 301 Q N 1.482 121.146 119.800 -0.225 0.000 2.248 301 Q HA -0.197 4.142 4.340 -0.001 0.000 0.208 301 Q C 1.564 177.441 176.000 -0.205 0.000 0.984 301 Q CA 1.810 57.503 55.803 -0.183 0.000 0.875 301 Q CB 0.154 28.795 28.738 -0.161 0.000 0.910 301 Q HN 0.772 nan 8.270 nan 0.000 0.433 302 E N -1.405 118.584 120.200 -0.351 0.000 2.465 302 E HA 0.109 4.458 4.350 -0.001 0.000 0.191 302 E C 0.840 177.258 176.600 -0.303 0.000 1.053 302 E CA 0.592 56.755 56.400 -0.396 0.000 0.869 302 E CB 0.567 29.846 29.700 -0.700 0.000 0.977 302 E HN 0.510 nan 8.360 nan 0.000 0.483 303 G N 1.447 110.123 108.800 -0.207 0.000 2.175 303 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.244 303 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.244 303 G C 0.075 175.062 174.900 0.146 0.000 0.982 303 G CA 0.290 45.396 45.100 0.010 0.000 0.641 303 G HN 0.280 nan 8.290 nan 0.000 0.527 304 F N -3.205 116.721 119.950 -0.040 0.000 2.799 304 F HA 0.682 5.208 4.527 -0.001 0.000 0.316 304 F C -3.075 172.679 175.800 -0.077 0.000 1.155 304 F CA -2.585 55.391 58.000 -0.040 0.000 0.916 304 F CB 0.138 39.127 39.000 -0.019 0.000 1.294 304 F HN -0.043 nan 8.300 nan 0.000 0.447 305 P HA 0.181 nan 4.420 nan 0.000 0.258 305 P C -0.660 176.526 177.300 -0.189 0.000 1.187 305 P CA 0.590 63.621 63.100 -0.115 0.000 0.767 305 P CB 0.411 32.160 31.700 0.082 0.000 0.770 306 T N 1.283 115.518 114.554 -0.533 0.000 2.912 306 T HA 0.626 4.975 4.350 -0.001 0.000 0.299 306 T C -1.228 173.163 174.700 -0.515 0.000 1.052 306 T CA -0.762 61.137 62.100 -0.334 0.000 0.996 306 T CB 0.886 69.582 68.868 -0.287 0.000 1.070 306 T HN 0.055 nan 8.240 nan 0.000 0.465 307 Y N 0.769 121.111 120.300 0.069 0.000 2.409 307 Y HA 0.810 5.360 4.550 -0.001 0.000 0.343 307 Y C 0.741 176.690 175.900 0.081 0.000 0.973 307 Y CA -0.534 57.632 58.100 0.110 0.000 1.064 307 Y CB 2.522 41.082 38.460 0.166 0.000 1.207 307 Y HN 1.259 nan 8.280 nan 0.000 0.452 308 G N -0.195 108.734 108.800 0.215 0.000 2.782 308 G HA2 0.710 4.669 3.960 -0.001 0.000 0.304 308 G HA3 0.710 4.669 3.960 -0.001 0.000 0.304 308 G C -0.763 174.193 174.900 0.093 0.000 1.315 308 G CA -0.583 44.561 45.100 0.074 0.000 0.791 308 G HN 1.120 nan 8.290 nan 0.000 0.519 309 G N -1.530 107.229 108.800 -0.067 0.000 2.312 309 G HA2 0.448 4.407 3.960 -0.001 0.000 0.347 309 G HA3 0.448 4.407 3.960 -0.001 0.000 0.347 309 G C -0.882 174.045 174.900 0.045 0.000 1.564 309 G CA -0.812 44.378 45.100 0.150 0.000 0.981 309 G HN 0.777 nan 8.290 nan 0.000 0.678 310 L N 1.192 122.491 121.223 0.126 0.000 2.439 310 L HA 0.331 4.670 4.340 -0.001 0.000 0.269 310 L C 1.461 178.354 176.870 0.039 0.000 1.179 310 L CA -0.586 54.299 54.840 0.076 0.000 0.828 310 L CB 0.701 42.819 42.059 0.099 0.000 1.106 310 L HN 0.827 nan 8.230 nan 0.000 0.467 311 E N 1.464 121.678 120.200 0.023 0.000 2.408 311 E HA 0.081 4.430 4.350 -0.001 0.000 0.259 311 E C 1.045 177.659 176.600 0.023 0.000 1.110 311 E CA -0.085 56.325 56.400 0.016 0.000 0.929 311 E CB 0.712 30.417 29.700 0.008 0.000 0.971 311 E HN 0.738 nan 8.360 nan 0.000 0.438 312 G N 2.572 111.382 108.800 0.017 0.000 2.505 312 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.220 312 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.220 312 G C 1.323 176.234 174.900 0.018 0.000 1.145 312 G CA 0.792 45.902 45.100 0.018 0.000 0.761 312 G HN 0.688 nan 8.290 nan 0.000 0.571 313 G N 0.912 109.719 108.800 0.012 0.000 2.422 313 G HA2 0.056 4.015 3.960 -0.001 0.000 0.218 313 G HA3 0.056 4.015 3.960 -0.001 0.000 0.218 313 G C 2.011 176.919 174.900 0.014 0.000 1.146 313 G CA 1.451 46.556 45.100 0.009 0.000 0.769 313 G HN 0.696 nan 8.290 nan 0.000 0.547 314 A N 0.410 123.242 122.820 0.020 0.000 1.969 314 A HA 0.121 4.441 4.320 -0.001 0.000 0.218 314 A C 2.425 180.030 177.584 0.035 0.000 1.169 314 A CA 1.559 53.612 52.037 0.026 0.000 0.635 314 A CB -0.275 18.744 19.000 0.033 0.000 0.810 314 A HN 0.397 nan 8.150 nan 0.000 0.445 315 M N -0.932 118.694 119.600 0.043 0.000 2.200 315 M HA -0.077 4.402 4.480 -0.001 0.000 0.265 315 M C 1.908 178.231 176.300 0.038 0.000 1.066 315 M CA 0.982 56.314 55.300 0.053 0.000 1.127 315 M CB -0.305 32.342 32.600 0.078 0.000 1.379 315 M HN 0.332 nan 8.290 nan 0.000 0.420 316 E N 0.336 120.553 120.200 0.029 0.000 2.110 316 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 316 E C 1.950 178.562 176.600 0.021 0.000 0.988 316 E CA 1.108 57.521 56.400 0.022 0.000 0.804 316 E CB -0.381 29.326 29.700 0.013 0.000 0.745 316 E HN 0.490 nan 8.360 nan 0.000 0.458 317 R N 0.636 121.145 120.500 0.016 0.000 2.075 317 R HA -0.116 4.224 4.340 -0.001 0.000 0.232 317 R C 2.422 178.734 176.300 0.020 0.000 1.126 317 R CA 0.859 56.965 56.100 0.010 0.000 0.963 317 R CB -0.250 30.051 30.300 0.001 0.000 0.858 317 R HN 0.098 nan 8.270 nan 0.000 0.435 318 L N 0.845 122.085 121.223 0.027 0.000 2.141 318 L HA 0.021 4.360 4.340 -0.001 0.000 0.209 318 L C 2.189 179.082 176.870 0.038 0.000 1.094 318 L CA 1.964 56.824 54.840 0.033 0.000 0.763 318 L CB -0.609 41.470 42.059 0.034 0.000 0.908 318 L HN 0.257 nan 8.230 nan 0.000 0.437 319 A N -1.380 121.465 122.820 0.043 0.000 1.972 319 A HA -0.123 4.196 4.320 -0.001 0.000 0.219 319 A C 2.207 179.873 177.584 0.136 0.000 1.169 319 A CA 1.962 54.038 52.037 0.063 0.000 0.635 319 A CB -0.791 18.243 19.000 0.057 0.000 0.810 319 A HN 0.314 nan 8.150 nan 0.000 0.446 320 V N -0.768 119.209 119.914 0.105 0.000 2.500 320 V HA -0.020 4.100 4.120 -0.001 0.000 0.243 320 V C 2.772 178.940 176.094 0.123 0.000 1.039 320 V CA 1.417 63.794 62.300 0.128 0.000 1.053 320 V CB -1.118 30.730 31.823 0.042 0.000 0.695 320 V HN 0.565 nan 8.190 nan 0.000 0.463 321 G N 0.166 109.004 108.800 0.063 0.000 2.442 321 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.219 321 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.219 321 G C 1.580 176.530 174.900 0.083 0.000 1.141 321 G CA 0.857 45.983 45.100 0.044 0.000 0.763 321 G HN 0.454 nan 8.290 nan 0.000 0.554 322 L N -1.193 120.070 121.223 0.065 0.000 2.127 322 L HA -0.116 4.223 4.340 -0.001 0.000 0.211 322 L C 2.630 179.492 176.870 -0.012 0.000 1.089 322 L CA 1.031 55.891 54.840 0.034 0.000 0.757 322 L CB -0.357 41.603 42.059 -0.164 0.000 0.899 322 L HN 0.259 nan 8.230 nan 0.000 0.434 323 Y N -0.499 119.822 120.300 0.036 0.000 2.201 323 Y HA -0.165 4.385 4.550 -0.001 0.000 0.292 323 Y C 2.499 178.410 175.900 0.019 0.000 1.119 323 Y CA 0.852 58.960 58.100 0.013 0.000 1.127 323 Y CB -0.140 38.307 38.460 -0.022 0.000 1.019 323 Y HN 0.108 nan 8.280 nan 0.000 0.514 324 D N -0.453 120.040 120.400 0.154 0.000 2.182 324 D HA -0.145 4.494 4.640 -0.001 0.000 0.201 324 D C 2.281 178.592 176.300 0.017 0.000 0.986 324 D CA 1.392 55.411 54.000 0.033 0.000 0.847 324 D CB -0.627 40.133 40.800 -0.068 0.000 0.942 324 D HN 0.459 nan 8.370 nan 0.000 0.467 325 G N 0.067 108.903 108.800 0.060 0.000 2.471 325 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.219 325 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.219 325 G C 1.440 176.423 174.900 0.138 0.000 1.125 325 G CA 0.131 45.295 45.100 0.107 0.000 0.775 325 G HN 0.247 nan 8.290 nan 0.000 0.548 326 M N 0.162 119.828 119.600 0.110 0.000 2.495 326 M HA 0.135 4.615 4.480 -0.001 0.000 0.237 326 M C 0.651 177.034 176.300 0.139 0.000 1.131 326 M CA -0.354 54.995 55.300 0.080 0.000 1.032 326 M CB 0.001 32.651 32.600 0.083 0.000 1.513 326 M HN 0.116 nan 8.290 nan 0.000 0.488 327 N N 1.604 120.422 118.700 0.198 0.000 2.359 327 N HA -0.084 4.655 4.740 -0.001 0.000 0.261 327 N C 0.803 176.424 175.510 0.186 0.000 1.267 327 N CA -0.133 53.033 53.050 0.194 0.000 0.864 327 N CB 0.735 39.352 38.487 0.216 0.000 1.063 327 N HN 0.133 nan 8.380 nan 0.000 0.474 328 L N 3.860 125.165 121.223 0.138 0.000 2.046 328 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 328 L C 1.273 178.193 176.870 0.083 0.000 1.077 328 L CA 1.860 56.773 54.840 0.122 0.000 0.747 328 L CB -0.508 41.631 42.059 0.134 0.000 0.896 328 L HN 0.700 nan 8.230 nan 0.000 0.432 329 D N -1.054 119.414 120.400 0.112 0.000 2.144 329 D HA -0.275 4.365 4.640 -0.001 0.000 0.199 329 D C 1.927 178.307 176.300 0.132 0.000 0.984 329 D CA 1.539 55.600 54.000 0.102 0.000 0.834 329 D CB -0.595 40.270 40.800 0.108 0.000 0.955 329 D HN 0.672 nan 8.370 nan 0.000 0.465 330 W N 1.995 123.311 121.300 0.027 0.000 2.354 330 W HA -0.190 4.470 4.660 -0.002 0.000 0.315 330 W C 1.780 178.292 176.519 -0.011 0.000 1.206 330 W CA 0.672 58.055 57.345 0.065 0.000 1.290 330 W CB -0.459 29.023 29.460 0.037 0.000 1.152 330 W HN -0.056 nan 8.180 nan 0.000 0.489 331 L N 1.468 122.332 121.223 -0.599 0.000 2.046 331 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 331 L C 3.022 179.219 176.870 -1.121 0.000 1.077 331 L CA 1.743 56.005 54.840 -0.963 0.000 0.747 331 L CB -1.341 40.329 42.059 -0.647 0.000 0.896 331 L HN 0.038 nan 8.230 nan 0.000 0.432 332 A N -0.605 121.682 122.820 -0.888 0.000 1.883 332 A HA -0.302 4.017 4.320 -0.001 0.000 0.217 332 A C 2.211 179.516 177.584 -0.465 0.000 1.186 332 A CA 1.861 53.458 52.037 -0.732 0.000 0.624 332 A CB -0.970 17.926 19.000 -0.173 0.000 0.822 332 A HN 0.505 nan 8.150 nan 0.000 0.444 333 Y N 0.209 120.254 120.300 -0.424 0.000 2.145 333 Y HA -0.206 4.343 4.550 -0.001 0.000 0.286 333 Y C 2.556 178.183 175.900 -0.455 0.000 1.145 333 Y CA 2.238 60.136 58.100 -0.337 0.000 1.148 333 Y CB -0.278 38.098 38.460 -0.139 0.000 0.981 333 Y HN 0.217 nan 8.280 nan 0.000 0.507 334 R N 1.178 121.220 120.500 -0.763 0.000 2.080 334 R HA -0.186 4.154 4.340 -0.001 0.000 0.236 334 R C 2.235 178.166 176.300 -0.616 0.000 1.137 334 R CA 2.348 57.934 56.100 -0.856 0.000 0.943 334 R CB -1.038 28.492 30.300 -1.284 0.000 0.846 334 R HN 0.599 nan 8.270 nan 0.000 0.431 335 I N 0.684 120.896 120.570 -0.598 0.000 2.315 335 I HA -0.226 3.943 4.170 -0.001 0.000 0.248 335 I C 2.510 178.463 176.117 -0.272 0.000 1.117 335 I CA 1.225 62.303 61.300 -0.370 0.000 1.404 335 I CB -0.375 37.359 38.000 -0.443 0.000 1.071 335 I HN 0.189 nan 8.210 nan 0.000 0.419 336 A N 0.072 122.676 122.820 -0.361 0.000 1.933 336 A HA -0.285 4.034 4.320 -0.001 0.000 0.218 336 A C 2.313 179.699 177.584 -0.330 0.000 1.175 336 A CA 1.832 53.701 52.037 -0.280 0.000 0.628 336 A CB -0.659 18.160 19.000 -0.303 0.000 0.814 336 A HN 0.521 nan 8.150 nan 0.000 0.444 337 Q N -0.218 119.238 119.800 -0.573 0.000 2.050 337 Q HA -0.127 4.212 4.340 -0.001 0.000 0.202 337 Q C 1.936 177.877 176.000 -0.098 0.000 0.980 337 Q CA 1.978 57.489 55.803 -0.487 0.000 0.840 337 Q CB -0.237 28.149 28.738 -0.587 0.000 0.898 337 Q HN 0.382 nan 8.270 nan 0.000 0.424 338 V N 1.304 121.148 119.914 -0.116 0.000 2.287 338 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 338 V C 2.298 178.398 176.094 0.010 0.000 1.053 338 V CA 2.291 64.578 62.300 -0.022 0.000 1.027 338 V CB -0.678 31.133 31.823 -0.020 0.000 0.646 338 V HN 0.478 nan 8.190 nan 0.000 0.447 339 Q N -1.391 118.410 119.800 0.001 0.000 2.170 339 Q HA -0.246 4.093 4.340 -0.001 0.000 0.203 339 Q C 2.149 178.175 176.000 0.044 0.000 0.976 339 Q CA 2.059 57.873 55.803 0.018 0.000 0.858 339 Q CB -0.342 28.409 28.738 0.022 0.000 0.907 339 Q HN 0.802 nan 8.270 nan 0.000 0.433 340 Y N 1.166 121.435 120.300 -0.051 0.000 2.181 340 Y HA -0.249 4.300 4.550 -0.001 0.000 0.288 340 Y C 2.005 177.912 175.900 0.012 0.000 1.146 340 Y CA 1.136 59.235 58.100 -0.002 0.000 1.164 340 Y CB -0.081 38.412 38.460 0.054 0.000 0.982 340 Y HN 0.116 nan 8.280 nan 0.000 0.515 341 L N -0.615 120.683 121.223 0.126 0.000 2.027 341 L HA -0.127 4.212 4.340 -0.001 0.000 0.206 341 L C 2.261 179.075 176.870 -0.093 0.000 1.074 341 L CA 1.639 56.493 54.840 0.024 0.000 0.745 341 L CB -1.051 41.048 42.059 0.068 0.000 0.898 341 L HN 0.141 nan 8.230 nan 0.000 0.433 342 V N 0.107 119.976 119.914 -0.074 0.000 2.255 342 V HA -0.320 3.799 4.120 -0.001 0.000 0.247 342 V C 2.311 178.333 176.094 -0.119 0.000 1.051 342 V CA 2.086 64.327 62.300 -0.098 0.000 1.018 342 V CB -0.886 30.897 31.823 -0.065 0.000 0.641 342 V HN 0.444 nan 8.190 nan 0.000 0.445 343 D N 0.626 120.954 120.400 -0.121 0.000 2.123 343 D HA -0.117 4.522 4.640 -0.001 0.000 0.196 343 D C 2.193 178.386 176.300 -0.178 0.000 0.992 343 D CA 1.618 55.538 54.000 -0.133 0.000 0.833 343 D CB -0.704 40.021 40.800 -0.125 0.000 0.954 343 D HN 0.472 nan 8.370 nan 0.000 0.455 344 G N 0.495 109.139 108.800 -0.261 0.000 2.418 344 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.217 344 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.217 344 G C 1.739 176.541 174.900 -0.164 0.000 1.158 344 G CA 0.299 45.245 45.100 -0.257 0.000 0.771 344 G HN 0.258 nan 8.290 nan 0.000 0.545 345 L N 0.087 121.207 121.223 -0.173 0.000 2.093 345 L HA -0.005 4.335 4.340 -0.001 0.000 0.208 345 L C 2.742 179.531 176.870 -0.135 0.000 1.085 345 L CA 1.406 56.134 54.840 -0.186 0.000 0.755 345 L CB -0.368 41.513 42.059 -0.297 0.000 0.904 345 L HN 0.362 nan 8.230 nan 0.000 0.435 346 E N 0.636 120.764 120.200 -0.119 0.000 2.077 346 E HA -0.300 4.049 4.350 -0.001 0.000 0.193 346 E C 2.066 178.626 176.600 -0.067 0.000 0.989 346 E CA 1.413 57.763 56.400 -0.085 0.000 0.800 346 E CB 0.026 29.680 29.700 -0.076 0.000 0.746 346 E HN 0.464 nan 8.360 nan 0.000 0.452 347 E N 0.637 120.792 120.200 -0.075 0.000 2.118 347 E HA -0.190 4.160 4.350 -0.001 0.000 0.195 347 E C 2.137 178.711 176.600 -0.042 0.000 0.992 347 E CA 1.564 57.929 56.400 -0.059 0.000 0.804 347 E CB -0.315 29.342 29.700 -0.071 0.000 0.741 347 E HN 0.594 nan 8.360 nan 0.000 0.458 348 I N -3.666 116.879 120.570 -0.042 0.000 3.646 348 I HA 0.326 4.495 4.170 -0.001 0.000 0.301 348 I C 1.182 177.294 176.117 -0.009 0.000 1.276 348 I CA 0.653 61.942 61.300 -0.018 0.000 1.254 348 I CB 0.217 38.217 38.000 -0.001 0.000 1.020 348 I HN 0.201 nan 8.210 nan 0.000 0.473 349 G N 1.216 110.004 108.800 -0.020 0.000 2.157 349 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.239 349 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.239 349 G C 0.124 175.020 174.900 -0.007 0.000 0.982 349 G CA 0.032 45.126 45.100 -0.010 0.000 0.650 349 G HN 0.283 nan 8.290 nan 0.000 0.527 350 V N 1.273 121.171 119.914 -0.027 0.000 2.508 350 V HA 0.474 4.593 4.120 -0.001 0.000 0.281 350 V C 1.198 177.263 176.094 -0.048 0.000 1.041 350 V CA -0.241 62.037 62.300 -0.036 0.000 1.016 350 V CB 1.403 33.147 31.823 -0.131 0.000 0.984 350 V HN 0.264 nan 8.190 nan 0.000 0.478 354 Q N -0.309 119.543 119.800 0.086 0.000 2.391 354 Q HA 0.784 5.124 4.340 -0.001 0.000 0.279 354 Q C -1.839 174.251 176.000 0.151 0.000 1.028 354 Q CA 0.087 55.930 55.803 0.068 0.000 0.836 354 Q CB 2.441 31.184 28.738 0.009 0.000 1.414 354 Q HN 0.291 nan 8.270 nan 0.000 0.397 355 A N 0.382 123.232 122.820 0.049 0.000 2.465 355 A HA 0.900 5.219 4.320 -0.001 0.000 0.292 355 A C -0.549 177.015 177.584 -0.034 0.000 1.041 355 A CA 0.184 52.236 52.037 0.026 0.000 0.718 355 A CB 1.640 20.631 19.000 -0.016 0.000 1.266 355 A HN 0.710 nan 8.150 nan 0.000 0.403 356 G N 0.136 108.920 108.800 -0.027 0.000 3.058 356 G HA2 0.536 4.495 3.960 -0.001 0.000 0.282 356 G HA3 0.536 4.495 3.960 -0.001 0.000 0.282 356 G C 0.753 175.658 174.900 0.009 0.000 1.248 356 G CA 0.319 45.375 45.100 -0.074 0.000 0.822 356 G HN 1.344 nan 8.290 nan 0.000 0.579 357 G N -1.211 107.622 108.800 0.055 0.000 2.448 357 G HA2 0.011 3.970 3.960 -0.001 0.000 0.218 357 G HA3 0.011 3.970 3.960 -0.001 0.000 0.218 357 G C 1.313 176.401 174.900 0.314 0.000 1.135 357 G CA 1.356 46.590 45.100 0.224 0.000 0.784 357 G HN 0.494 nan 8.290 nan 0.000 0.543 358 H N 0.524 119.640 119.070 0.078 0.000 2.329 358 H HA 0.530 5.085 4.556 -0.001 0.000 0.306 358 H C 1.311 176.660 175.328 0.036 0.000 1.062 358 H CA 0.562 56.670 56.048 0.100 0.000 1.364 358 H CB -0.009 29.844 29.762 0.150 0.000 1.409 358 H HN 0.448 nan 8.280 nan 0.000 0.519 359 A N -0.729 122.162 122.820 0.117 0.000 2.564 359 A HA 0.758 5.077 4.320 -0.001 0.000 0.291 359 A C -1.372 176.084 177.584 -0.212 0.000 1.102 359 A CA -0.230 51.734 52.037 -0.121 0.000 0.660 359 A CB 0.693 19.495 19.000 -0.330 0.000 1.283 359 A HN 0.367 nan 8.150 nan 0.000 0.430 360 A N -0.018 122.602 122.820 -0.334 0.000 2.331 360 A HA 0.769 5.089 4.320 -0.001 0.000 0.320 360 A C -1.438 175.912 177.584 -0.390 0.000 1.138 360 A CA -0.319 51.579 52.037 -0.231 0.000 0.790 360 A CB 0.183 19.090 19.000 -0.155 0.000 1.206 360 A HN 0.898 nan 8.150 nan 0.000 0.470 361 F N 2.891 122.835 119.950 -0.009 0.000 2.307 361 F HA 0.334 4.860 4.527 -0.001 0.000 0.369 361 F C 0.309 176.111 175.800 0.002 0.000 1.076 361 F CA -0.516 57.492 58.000 0.012 0.000 1.149 361 F CB 1.401 40.411 39.000 0.016 0.000 1.410 361 F HN 0.288 nan 8.300 nan 0.000 0.481 362 V N 2.182 122.162 119.914 0.109 0.000 2.655 362 V HA -0.065 4.055 4.120 -0.001 0.000 0.300 362 V C 0.380 176.548 176.094 0.124 0.000 1.044 362 V CA -0.140 62.206 62.300 0.076 0.000 1.095 362 V CB 0.741 32.609 31.823 0.075 0.000 0.952 362 V HN 0.501 nan 8.190 nan 0.000 0.485 363 D N 3.765 124.220 120.400 0.092 0.000 2.422 363 D HA 0.323 4.962 4.640 -0.001 0.000 0.227 363 D C 0.838 177.192 176.300 0.090 0.000 1.190 363 D CA 0.219 54.271 54.000 0.086 0.000 0.905 363 D CB 1.521 42.355 40.800 0.057 0.000 1.034 363 D HN 0.631 nan 8.370 nan 0.000 0.507 364 A N 3.290 126.171 122.820 0.101 0.000 1.969 364 A HA -0.006 4.314 4.320 -0.001 0.000 0.218 364 A C 2.059 179.675 177.584 0.054 0.000 1.169 364 A CA 1.424 53.516 52.037 0.092 0.000 0.635 364 A CB -0.419 18.637 19.000 0.092 0.000 0.810 364 A HN 0.587 nan 8.150 nan 0.000 0.445 365 G N 0.126 108.953 108.800 0.045 0.000 2.446 365 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.217 365 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.217 365 G C 1.666 176.579 174.900 0.021 0.000 1.168 365 G CA 1.163 46.275 45.100 0.020 0.000 0.771 365 G HN 0.586 nan 8.290 nan 0.000 0.551 366 K N -0.574 119.847 120.400 0.035 0.000 2.155 366 K HA 0.115 4.434 4.320 -0.001 0.000 0.203 366 K C 2.278 178.909 176.600 0.051 0.000 1.052 366 K CA 0.465 56.774 56.287 0.037 0.000 0.948 366 K CB -0.149 32.371 32.500 0.034 0.000 0.728 366 K HN 0.250 nan 8.250 nan 0.000 0.448 367 L N 0.626 121.888 121.223 0.064 0.000 2.156 367 L HA 0.010 4.350 4.340 -0.001 0.000 0.208 367 L C 0.588 177.513 176.870 0.091 0.000 1.095 367 L CA 1.578 56.468 54.840 0.084 0.000 0.770 367 L CB 0.203 42.331 42.059 0.115 0.000 0.914 367 L HN 0.032 nan 8.230 nan 0.000 0.439 368 L N 1.281 122.542 121.223 0.062 0.000 2.637 368 L HA 0.301 4.640 4.340 -0.001 0.000 0.241 368 L C -1.552 175.286 176.870 -0.054 0.000 1.398 368 L CA -0.910 53.953 54.840 0.038 0.000 0.895 368 L CB 0.665 42.693 42.059 -0.052 0.000 1.183 368 L HN -0.034 nan 8.230 nan 0.000 0.497 369 P HA -0.210 nan 4.420 nan 0.000 0.221 369 P C 1.152 178.463 177.300 0.018 0.000 1.145 369 P CA 1.428 64.548 63.100 0.034 0.000 0.795 369 P CB -0.078 31.662 31.700 0.066 0.000 0.775 370 H N -0.745 118.322 119.070 -0.003 0.000 2.529 370 H HA 0.147 4.702 4.556 -0.001 0.000 0.277 370 H C 0.814 176.132 175.328 -0.015 0.000 0.999 370 H CA -0.058 55.984 56.048 -0.009 0.000 1.256 370 H CB -0.875 28.881 29.762 -0.009 0.000 1.402 370 H HN 0.156 nan 8.280 nan 0.000 0.566 371 I N 3.710 123.969 120.570 -0.519 0.000 2.325 371 I HA 0.205 4.374 4.170 -0.001 0.000 0.291 371 I C -2.186 173.822 176.117 -0.182 0.000 1.019 371 I CA -2.029 59.065 61.300 -0.343 0.000 1.302 371 I CB 1.323 39.090 38.000 -0.388 0.000 1.401 371 I HN -0.091 nan 8.210 nan 0.000 0.485 372 P HA 0.033 nan 4.420 nan 0.000 0.269 372 P C 0.485 177.698 177.300 -0.145 0.000 1.215 372 P CA -0.051 62.978 63.100 -0.117 0.000 0.780 372 P CB 0.894 32.528 31.700 -0.110 0.000 0.898 373 A N 2.541 125.295 122.820 -0.111 0.000 1.908 373 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 373 A C 1.640 179.088 177.584 -0.226 0.000 1.181 373 A CA 1.898 53.876 52.037 -0.098 0.000 0.627 373 A CB -1.202 17.774 19.000 -0.041 0.000 0.818 373 A HN 0.510 nan 8.150 nan 0.000 0.445 374 D N -0.580 119.653 120.400 -0.278 0.000 2.310 374 D HA -0.091 4.548 4.640 -0.001 0.000 0.212 374 D C 1.563 177.310 176.300 -0.923 0.000 0.965 374 D CA 0.903 54.614 54.000 -0.481 0.000 0.879 374 D CB -0.218 40.433 40.800 -0.249 0.000 0.921 374 D HN 0.637 nan 8.370 nan 0.000 0.510 375 Q N -0.623 118.804 119.800 -0.622 0.000 2.246 375 Q HA 0.117 4.457 4.340 -0.001 0.000 0.202 375 Q C -0.415 175.347 176.000 -0.397 0.000 0.883 375 Q CA -0.358 55.129 55.803 -0.527 0.000 0.952 375 Q CB -0.010 28.579 28.738 -0.248 0.000 1.078 375 Q HN 0.224 nan 8.270 nan 0.000 0.493 376 F N 0.289 120.198 119.950 -0.068 0.000 2.688 376 F HA -0.212 4.314 4.527 -0.001 0.000 0.276 376 F C -1.540 174.208 175.800 -0.087 0.000 1.034 376 F CA -0.351 57.608 58.000 -0.068 0.000 0.991 376 F CB -0.797 38.120 39.000 -0.138 0.000 1.119 376 F HN 0.219 nan 8.300 nan 0.000 0.837 377 P HA -0.230 nan 4.420 nan 0.000 0.219 377 P C 1.341 178.662 177.300 0.034 0.000 1.146 377 P CA 2.067 65.161 63.100 -0.009 0.000 0.808 377 P CB 0.140 31.810 31.700 -0.051 0.000 0.779 378 A N -0.339 122.532 122.820 0.084 0.000 2.021 378 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 378 A C 2.391 180.008 177.584 0.056 0.000 1.163 378 A CA 1.231 53.322 52.037 0.090 0.000 0.676 378 A CB -0.949 18.128 19.000 0.129 0.000 0.818 378 A HN 0.128 nan 8.150 nan 0.000 0.453 379 Q N -0.093 119.722 119.800 0.024 0.000 2.187 379 Q HA 0.150 4.489 4.340 -0.001 0.000 0.199 379 Q C 1.948 177.898 176.000 -0.083 0.000 0.957 379 Q CA 1.657 57.398 55.803 -0.104 0.000 0.857 379 Q CB -0.490 28.024 28.738 -0.373 0.000 0.929 379 Q HN 0.501 nan 8.270 nan 0.000 0.453 380 A N 0.209 123.006 122.820 -0.038 0.000 1.930 380 A HA -0.101 4.219 4.320 -0.001 0.000 0.217 380 A C 1.941 179.517 177.584 -0.014 0.000 1.175 380 A CA 1.374 53.393 52.037 -0.030 0.000 0.627 380 A CB -0.749 18.237 19.000 -0.023 0.000 0.815 380 A HN 0.468 nan 8.150 nan 0.000 0.443 381 L N -0.261 120.960 121.223 -0.002 0.000 2.093 381 L HA -0.002 4.337 4.340 -0.001 0.000 0.208 381 L C 2.575 179.430 176.870 -0.026 0.000 1.085 381 L CA 2.069 56.906 54.840 -0.005 0.000 0.755 381 L CB -0.757 41.322 42.059 0.034 0.000 0.904 381 L HN 0.319 nan 8.230 nan 0.000 0.435 382 A N -1.255 121.559 122.820 -0.010 0.000 1.902 382 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 382 A C 2.373 179.962 177.584 0.008 0.000 1.181 382 A CA 1.804 53.835 52.037 -0.009 0.000 0.623 382 A CB -1.461 17.529 19.000 -0.018 0.000 0.818 382 A HN 0.617 nan 8.150 nan 0.000 0.443 383 C N -1.126 118.175 119.300 0.001 0.000 2.440 383 C HA -0.030 4.430 4.460 -0.001 0.000 0.278 383 C C 2.690 177.722 174.990 0.070 0.000 1.295 383 C CA 1.334 60.380 59.018 0.045 0.000 1.738 383 C CB -0.926 26.819 27.740 0.009 0.000 1.987 383 C HN 0.769 nan 8.230 nan 0.000 0.492 384 E N 1.014 121.222 120.200 0.014 0.000 2.072 384 E HA -0.101 4.248 4.350 -0.001 0.000 0.191 384 E C 1.996 178.565 176.600 -0.053 0.000 0.985 384 E CA 1.108 57.503 56.400 -0.009 0.000 0.801 384 E CB -0.424 29.265 29.700 -0.018 0.000 0.750 384 E HN 0.571 nan 8.360 nan 0.000 0.452 385 L N -0.304 120.865 121.223 -0.090 0.000 2.083 385 L HA -0.178 4.162 4.340 -0.001 0.000 0.209 385 L C 2.275 179.117 176.870 -0.046 0.000 1.083 385 L CA 1.396 56.143 54.840 -0.155 0.000 0.752 385 L CB -0.487 41.441 42.059 -0.219 0.000 0.899 385 L HN 0.280 nan 8.230 nan 0.000 0.433 386 Y N 0.981 121.248 120.300 -0.055 0.000 2.163 386 Y HA -0.228 4.321 4.550 -0.001 0.000 0.288 386 Y C 2.520 178.426 175.900 0.010 0.000 1.136 386 Y CA 1.461 59.561 58.100 -0.001 0.000 1.147 386 Y CB -0.111 38.352 38.460 0.006 0.000 0.987 386 Y HN -0.027 nan 8.280 nan 0.000 0.509 387 K N -0.613 119.732 120.400 -0.092 0.000 2.009 387 K HA -0.175 4.145 4.320 -0.001 0.000 0.210 387 K C 2.007 178.487 176.600 -0.200 0.000 1.049 387 K CA 1.975 58.175 56.287 -0.144 0.000 0.929 387 K CB -0.567 31.919 32.500 -0.024 0.000 0.714 387 K HN 0.201 nan 8.250 nan 0.000 0.440 388 V N 0.339 120.142 119.914 -0.185 0.000 2.379 388 V HA -0.158 3.961 4.120 -0.001 0.000 0.245 388 V C 1.784 177.737 176.094 -0.235 0.000 1.044 388 V CA 2.102 64.248 62.300 -0.258 0.000 1.036 388 V CB -0.118 31.514 31.823 -0.318 0.000 0.664 388 V HN 0.438 nan 8.190 nan 0.000 0.453 389 A N -1.758 120.966 122.820 -0.160 0.000 2.551 389 A HA 0.531 4.850 4.320 -0.001 0.000 0.252 389 A C 1.534 179.243 177.584 0.208 0.000 1.199 389 A CA 0.727 52.784 52.037 0.033 0.000 0.972 389 A CB 0.538 19.495 19.000 -0.072 0.000 1.153 389 A HN 1.180 nan 8.150 nan 0.000 0.559 390 G N 0.169 108.920 108.800 -0.083 0.000 2.198 390 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.260 390 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.260 390 G C 0.021 175.074 174.900 0.255 0.000 1.025 390 G CA 0.563 45.609 45.100 -0.090 0.000 0.769 390 G HN 0.526 nan 8.290 nan 0.000 0.507 391 I N -0.412 120.286 120.570 0.214 0.000 2.440 391 I HA 0.483 4.652 4.170 -0.001 0.000 0.294 391 I C 0.757 176.996 176.117 0.204 0.000 0.995 391 I CA -0.828 60.575 61.300 0.171 0.000 1.306 391 I CB 1.533 39.589 38.000 0.093 0.000 1.407 391 I HN 0.160 nan 8.210 nan 0.000 0.501 392 R N 5.118 125.688 120.500 0.116 0.000 2.360 392 R HA 0.787 5.126 4.340 -0.001 0.000 0.318 392 R C -1.355 174.942 176.300 -0.006 0.000 0.950 392 R CA -0.300 55.826 56.100 0.044 0.000 0.837 392 R CB 1.403 31.703 30.300 0.001 0.000 1.165 392 R HN 0.794 nan 8.270 nan 0.000 0.458 393 A N 3.438 126.244 122.820 -0.024 0.000 2.423 393 A HA 0.655 4.974 4.320 -0.001 0.000 0.304 393 A C -1.227 176.318 177.584 -0.066 0.000 1.104 393 A CA -0.708 51.320 52.037 -0.015 0.000 0.757 393 A CB 1.999 21.029 19.000 0.049 0.000 1.313 393 A HN 0.456 nan 8.150 nan 0.000 0.423 394 V N 1.680 121.579 119.914 -0.025 0.000 2.427 394 V HA 0.314 4.433 4.120 -0.001 0.000 0.286 394 V C 0.375 176.539 176.094 0.116 0.000 1.034 394 V CA -0.621 61.682 62.300 0.004 0.000 0.893 394 V CB 1.512 33.392 31.823 0.095 0.000 0.982 394 V HN 0.926 nan 8.190 nan 0.000 0.452 395 E N 4.549 124.852 120.200 0.171 0.000 2.338 395 E HA 0.194 4.544 4.350 -0.001 0.000 0.272 395 E C -1.159 175.567 176.600 0.209 0.000 1.029 395 E CA -0.321 56.198 56.400 0.198 0.000 0.872 395 E CB 1.055 30.893 29.700 0.229 0.000 1.015 395 E HN 0.442 nan 8.360 nan 0.000 0.417 396 I N 4.750 125.438 120.570 0.197 0.000 2.750 396 I HA 0.350 4.519 4.170 -0.001 0.000 0.279 396 I C 0.422 176.619 176.117 0.132 0.000 1.206 396 I CA -0.220 61.180 61.300 0.168 0.000 1.101 396 I CB 0.232 38.389 38.000 0.261 0.000 1.431 396 I HN 0.588 nan 8.210 nan 0.000 0.551 397 G N 1.697 110.572 108.800 0.125 0.000 2.827 397 G HA2 0.280 4.240 3.960 -0.001 0.000 0.202 397 G HA3 0.280 4.240 3.960 -0.001 0.000 0.202 397 G C 0.456 175.448 174.900 0.154 0.000 1.185 397 G CA 0.046 45.227 45.100 0.134 0.000 0.920 397 G HN 0.131 nan 8.290 nan 0.000 0.550 398 S N -0.337 115.513 115.700 0.250 0.000 2.383 398 S HA -0.084 4.386 4.470 -0.001 0.000 0.229 398 S C 1.918 176.743 174.600 0.375 0.000 1.030 398 S CA 1.847 60.252 58.200 0.342 0.000 1.002 398 S CB -0.389 63.071 63.200 0.434 0.000 0.829 398 S HN 0.424 nan 8.310 nan 0.000 0.467 399 F N 2.344 122.319 119.950 0.041 0.000 2.069 399 F HA -0.116 4.411 4.527 -0.001 0.000 0.298 399 F C 1.958 177.647 175.800 -0.185 0.000 1.113 399 F CA 1.178 58.868 58.000 -0.516 0.000 1.214 399 F CB -0.811 37.797 39.000 -0.653 0.000 0.978 399 F HN 0.168 nan 8.300 nan 0.000 0.474 400 L N -0.075 121.043 121.223 -0.176 0.000 2.017 400 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 400 L C 2.264 178.950 176.870 -0.307 0.000 1.073 400 L CA 1.563 56.166 54.840 -0.395 0.000 0.745 400 L CB -1.239 40.652 42.059 -0.281 0.000 0.894 400 L HN 0.281 nan 8.230 nan 0.000 0.432 401 L N 0.294 121.441 121.223 -0.125 0.000 2.021 401 L HA 0.057 4.396 4.340 -0.001 0.000 0.215 401 L C 1.419 178.241 176.870 -0.079 0.000 1.074 401 L CA 1.658 56.453 54.840 -0.075 0.000 0.760 401 L CB -1.288 40.774 42.059 0.005 0.000 0.889 401 L HN 0.662 nan 8.230 nan 0.000 0.433 402 G N -1.316 107.452 108.800 -0.052 0.000 2.632 402 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.224 402 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.224 402 G C -0.269 174.637 174.900 0.010 0.000 1.341 402 G CA -0.016 45.056 45.100 -0.046 0.000 0.880 402 G HN 0.535 nan 8.290 nan 0.000 0.566 403 R N -0.144 120.345 120.500 -0.019 0.000 2.758 403 R HA 0.502 4.841 4.340 -0.001 0.000 0.265 403 R C -0.540 175.747 176.300 -0.021 0.000 1.016 403 R CA -0.814 55.282 56.100 -0.006 0.000 1.040 403 R CB 1.104 31.390 30.300 -0.023 0.000 1.152 403 R HN 0.577 nan 8.270 nan 0.000 0.503 404 D N 1.826 122.218 120.400 -0.013 0.000 2.371 404 D HA 0.058 4.697 4.640 -0.001 0.000 0.256 404 D C -1.710 174.575 176.300 -0.026 0.000 1.193 404 D CA -1.757 52.232 54.000 -0.018 0.000 0.881 404 D CB 1.339 42.132 40.800 -0.012 0.000 1.143 404 D HN 0.144 nan 8.370 nan 0.000 0.473 405 P HA -0.028 nan 4.420 nan 0.000 0.236 405 P C 0.372 177.656 177.300 -0.027 0.000 1.172 405 P CA 0.913 63.993 63.100 -0.033 0.000 0.759 405 P CB 0.317 31.997 31.700 -0.034 0.000 0.843 406 K N -2.867 117.519 120.400 -0.023 0.000 2.435 406 K HA 0.188 4.507 4.320 -0.001 0.000 0.199 406 K C 0.923 177.513 176.600 -0.016 0.000 1.153 406 K CA 0.629 56.905 56.287 -0.019 0.000 0.974 406 K CB 0.524 33.014 32.500 -0.017 0.000 0.997 406 K HN -0.028 nan 8.250 nan 0.000 0.547 407 T N -0.883 113.662 114.554 -0.015 0.000 2.975 407 T HA 0.121 4.470 4.350 -0.001 0.000 0.257 407 T C 1.123 175.816 174.700 -0.012 0.000 1.003 407 T CA 0.490 62.583 62.100 -0.011 0.000 0.932 407 T CB 1.049 69.913 68.868 -0.008 0.000 1.087 407 T HN 0.354 nan 8.240 nan 0.000 0.512 408 G N 3.203 111.993 108.800 -0.017 0.000 2.196 408 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.268 408 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.268 408 G C 0.141 175.036 174.900 -0.009 0.000 0.975 408 G CA 0.925 46.012 45.100 -0.021 0.000 0.648 408 G HN 0.715 nan 8.290 nan 0.000 0.538 409 K N -0.014 120.386 120.400 0.000 0.000 2.098 409 K HA 0.639 4.959 4.320 -0.001 0.000 0.261 409 K C 0.311 176.927 176.600 0.028 0.000 0.987 409 K CA -0.784 55.513 56.287 0.015 0.000 0.916 409 K CB 1.074 33.581 32.500 0.011 0.000 1.039 409 K HN 0.115 nan 8.250 nan 0.000 0.455 410 Q N 2.244 122.076 119.800 0.054 0.000 2.315 410 Q HA 0.055 4.395 4.340 -0.001 0.000 0.289 410 Q C -1.002 175.031 176.000 0.056 0.000 1.044 410 Q CA 0.294 56.148 55.803 0.085 0.000 0.920 410 Q CB 0.456 29.263 28.738 0.116 0.000 1.214 410 Q HN 0.623 nan 8.270 nan 0.000 0.392 411 L N 7.027 128.284 121.223 0.056 0.000 2.371 411 L HA 0.438 4.777 4.340 -0.001 0.000 0.272 411 L C -1.785 175.109 176.870 0.040 0.000 1.124 411 L CA -2.119 52.740 54.840 0.033 0.000 0.816 411 L CB 0.851 42.920 42.059 0.017 0.000 1.129 411 L HN 0.739 nan 8.230 nan 0.000 0.448 412 P HA 0.031 nan 4.420 nan 0.000 0.276 412 P C -1.048 176.264 177.300 0.020 0.000 1.230 412 P CA -0.376 62.736 63.100 0.020 0.000 0.776 412 P CB 1.288 32.992 31.700 0.006 0.000 0.888 413 C N 5.437 124.753 119.300 0.027 0.000 2.408 413 C HA 0.455 4.914 4.460 -0.001 0.000 0.321 413 C C -0.990 174.007 174.990 0.013 0.000 1.245 413 C CA -1.609 57.424 59.018 0.025 0.000 1.523 413 C CB 0.512 28.285 27.740 0.055 0.000 2.178 413 C HN 0.504 nan 8.230 nan 0.000 0.488 414 P HA 0.123 nan 4.420 nan 0.000 0.218 414 P C -0.151 177.146 177.300 -0.005 0.000 1.148 414 P CA 1.101 64.193 63.100 -0.013 0.000 0.822 414 P CB 0.234 31.914 31.700 -0.033 0.000 0.784 415 A N -1.227 121.596 122.820 0.005 0.000 2.604 415 A HA 0.484 4.803 4.320 -0.001 0.000 0.295 415 A C -1.347 176.265 177.584 0.046 0.000 1.067 415 A CA -0.654 51.394 52.037 0.019 0.000 0.683 415 A CB 1.187 20.192 19.000 0.008 0.000 1.281 415 A HN -0.220 nan 8.150 nan 0.000 0.407 416 E N 1.989 122.226 120.200 0.061 0.000 2.070 416 E HA 0.448 4.797 4.350 -0.001 0.000 0.261 416 E C -0.927 175.738 176.600 0.108 0.000 0.926 416 E CA 0.026 56.482 56.400 0.093 0.000 0.760 416 E CB 0.692 30.442 29.700 0.084 0.000 1.133 416 E HN 0.527 nan 8.360 nan 0.000 0.420 417 L N 2.151 123.454 121.223 0.134 0.000 2.334 417 L HA 0.517 4.856 4.340 -0.001 0.000 0.272 417 L C -0.215 176.778 176.870 0.206 0.000 1.020 417 L CA -1.308 53.642 54.840 0.183 0.000 0.812 417 L CB 1.086 43.288 42.059 0.239 0.000 1.264 417 L HN 0.225 nan 8.230 nan 0.000 0.439 418 L N 2.750 124.094 121.223 0.203 0.000 2.342 418 L HA 0.446 4.786 4.340 -0.001 0.000 0.276 418 L C -0.219 176.724 176.870 0.122 0.000 0.997 418 L CA -0.184 54.757 54.840 0.169 0.000 0.838 418 L CB 1.274 43.437 42.059 0.173 0.000 1.224 418 L HN 0.531 nan 8.230 nan 0.000 0.416 419 R N 5.236 125.779 120.500 0.072 0.000 2.340 419 R HA 0.594 4.933 4.340 -0.001 0.000 0.300 419 R C -1.510 174.717 176.300 -0.120 0.000 1.069 419 R CA -0.412 55.589 56.100 -0.164 0.000 0.984 419 R CB 0.541 30.757 30.300 -0.139 0.000 1.003 419 R HN 0.754 nan 8.270 nan 0.000 0.459 420 L N 4.421 125.522 121.223 -0.203 0.000 2.349 420 L HA 0.425 4.764 4.340 -0.001 0.000 0.278 420 L C -0.024 176.782 176.870 -0.108 0.000 0.996 420 L CA -0.776 54.011 54.840 -0.089 0.000 0.825 420 L CB 1.992 44.020 42.059 -0.051 0.000 1.243 420 L HN 0.804 nan 8.230 nan 0.000 0.412 421 T N 0.301 114.836 114.554 -0.030 0.000 2.930 421 T HA 0.772 5.121 4.350 -0.001 0.000 0.290 421 T C -0.483 174.250 174.700 0.055 0.000 1.052 421 T CA -0.722 61.384 62.100 0.011 0.000 1.017 421 T CB 2.145 71.042 68.868 0.048 0.000 1.137 421 T HN 0.357 nan 8.240 nan 0.000 0.511 422 I N 1.936 122.557 120.570 0.085 0.000 2.439 422 I HA 0.346 4.515 4.170 -0.001 0.000 0.283 422 I C -2.659 173.555 176.117 0.163 0.000 1.023 422 I CA -2.582 58.798 61.300 0.134 0.000 1.100 422 I CB 2.214 40.285 38.000 0.118 0.000 1.238 422 I HN 0.414 nan 8.210 nan 0.000 0.445 423 P HA 0.109 nan 4.420 nan 0.000 0.265 423 P C -0.561 176.838 177.300 0.164 0.000 1.193 423 P CA -0.115 63.075 63.100 0.150 0.000 0.765 423 P CB 0.429 32.198 31.700 0.115 0.000 0.823 424 R N 3.112 123.721 120.500 0.182 0.000 2.537 424 R HA 0.332 4.672 4.340 -0.001 0.000 0.280 424 R C 0.786 177.231 176.300 0.242 0.000 1.058 424 R CA 0.346 56.648 56.100 0.336 0.000 1.057 424 R CB -0.077 30.474 30.300 0.418 0.000 0.973 424 R HN 0.615 nan 8.270 nan 0.000 0.438 425 A N 2.420 125.518 122.820 0.463 0.000 2.704 425 A HA -0.225 4.094 4.320 -0.001 0.000 0.299 425 A C 0.818 178.430 177.584 0.046 0.000 1.507 425 A CA 1.640 53.835 52.037 0.263 0.000 0.776 425 A CB -1.729 17.093 19.000 -0.295 0.000 1.027 425 A HN 0.879 nan 8.150 nan 0.000 0.475 426 T N -2.394 112.175 114.554 0.025 0.000 3.098 426 T HA 0.373 4.722 4.350 -0.001 0.000 0.246 426 T C 0.425 174.863 174.700 -0.436 0.000 0.983 426 T CA 1.212 63.134 62.100 -0.296 0.000 1.094 426 T CB 0.126 68.691 68.868 -0.505 0.000 1.035 426 T HN 0.473 nan 8.240 nan 0.000 0.456 427 Y N 1.867 122.228 120.300 0.102 0.000 2.528 427 Y HA 0.579 5.128 4.550 -0.001 0.000 0.335 427 Y C 0.893 177.004 175.900 0.352 0.000 1.093 427 Y CA -1.457 56.703 58.100 0.100 0.000 1.134 427 Y CB 0.970 39.361 38.460 -0.116 0.000 1.253 427 Y HN 0.028 nan 8.280 nan 0.000 0.478 428 T N -2.832 112.141 114.554 0.698 0.000 2.922 428 T HA 0.186 4.535 4.350 -0.001 0.000 0.281 428 T C 0.894 175.661 174.700 0.110 0.000 1.005 428 T CA -0.681 61.619 62.100 0.333 0.000 0.982 428 T CB 1.369 70.320 68.868 0.140 0.000 1.158 428 T HN 0.755 nan 8.240 nan 0.000 0.566 429 Q N -0.220 119.391 119.800 -0.315 0.000 2.170 429 Q HA -0.133 4.206 4.340 -0.001 0.000 0.203 429 Q C 1.912 177.806 176.000 -0.176 0.000 0.976 429 Q CA 2.031 57.448 55.803 -0.643 0.000 0.858 429 Q CB -0.717 27.355 28.738 -1.110 0.000 0.907 429 Q HN 0.884 nan 8.270 nan 0.000 0.433 430 T N -0.559 113.910 114.554 -0.141 0.000 2.821 430 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 430 T C 1.149 175.847 174.700 -0.003 0.000 1.046 430 T CA 1.685 63.735 62.100 -0.084 0.000 1.139 430 T CB -0.369 68.396 68.868 -0.172 0.000 0.871 430 T HN 0.540 nan 8.240 nan 0.000 0.454 431 H N 0.494 119.616 119.070 0.087 0.000 2.389 431 H HA 0.077 4.633 4.556 -0.001 0.000 0.299 431 H C 2.356 177.778 175.328 0.156 0.000 1.081 431 H CA 1.032 57.125 56.048 0.075 0.000 1.345 431 H CB -0.114 29.634 29.762 -0.024 0.000 1.393 431 H HN 0.125 nan 8.280 nan 0.000 0.520 432 M N 0.507 120.274 119.600 0.277 0.000 2.117 432 M HA -0.159 4.320 4.480 -0.001 0.000 0.262 432 M C 1.282 177.759 176.300 0.295 0.000 1.065 432 M CA 1.268 56.744 55.300 0.293 0.000 1.114 432 M CB -0.512 32.324 32.600 0.393 0.000 1.361 432 M HN 0.298 nan 8.290 nan 0.000 0.408 433 D N -0.584 119.991 120.400 0.292 0.000 2.178 433 D HA -0.108 4.531 4.640 -0.001 0.000 0.202 433 D C 1.892 178.331 176.300 0.231 0.000 0.974 433 D CA 0.822 54.968 54.000 0.243 0.000 0.841 433 D CB -0.342 40.584 40.800 0.210 0.000 0.953 433 D HN 0.309 nan 8.370 nan 0.000 0.478 434 F N 1.120 121.142 119.950 0.121 0.000 2.186 434 F HA -0.087 4.439 4.527 -0.001 0.000 0.299 434 F C 2.182 178.061 175.800 0.131 0.000 1.090 434 F CA 0.906 58.981 58.000 0.125 0.000 1.307 434 F CB 0.030 39.130 39.000 0.168 0.000 1.019 434 F HN -0.155 nan 8.300 nan 0.000 0.489 435 I N -0.007 120.727 120.570 0.273 0.000 2.202 435 I HA -0.320 3.849 4.170 -0.001 0.000 0.242 435 I C 2.257 178.527 176.117 0.254 0.000 1.091 435 I CA 1.376 62.815 61.300 0.232 0.000 1.368 435 I CB -0.464 37.678 38.000 0.237 0.000 1.058 435 I HN 0.103 nan 8.210 nan 0.000 0.410 436 I N 0.516 121.195 120.570 0.182 0.000 2.208 436 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 436 I C 2.604 178.792 176.117 0.117 0.000 1.097 436 I CA 1.359 62.741 61.300 0.135 0.000 1.363 436 I CB -0.339 37.692 38.000 0.051 0.000 1.051 436 I HN 0.230 nan 8.210 nan 0.000 0.413 437 E N 1.422 121.647 120.200 0.041 0.000 2.110 437 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 437 E C 2.096 178.667 176.600 -0.048 0.000 0.988 437 E CA 1.623 58.011 56.400 -0.020 0.000 0.804 437 E CB -0.177 29.467 29.700 -0.093 0.000 0.745 437 E HN 0.420 nan 8.360 nan 0.000 0.458 438 A N -0.311 122.434 122.820 -0.125 0.000 1.883 438 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 438 A C 2.147 179.684 177.584 -0.079 0.000 1.186 438 A CA 1.533 53.461 52.037 -0.181 0.000 0.624 438 A CB -1.039 17.813 19.000 -0.247 0.000 0.822 438 A HN 0.371 nan 8.150 nan 0.000 0.444 439 F N -0.006 119.930 119.950 -0.024 0.000 2.171 439 F HA -0.111 4.415 4.527 -0.001 0.000 0.300 439 F C 2.284 178.091 175.800 0.013 0.000 1.090 439 F CA 1.868 59.870 58.000 0.003 0.000 1.293 439 F CB -0.091 38.907 39.000 -0.003 0.000 1.013 439 F HN 0.199 nan 8.300 nan 0.000 0.486 440 K N -0.612 119.895 120.400 0.177 0.000 2.063 440 K HA -0.258 4.061 4.320 -0.001 0.000 0.208 440 K C 2.360 179.001 176.600 0.067 0.000 1.048 440 K CA 1.564 57.910 56.287 0.098 0.000 0.928 440 K CB -0.397 32.141 32.500 0.063 0.000 0.713 440 K HN 0.289 nan 8.250 nan 0.000 0.442 441 H N 0.193 119.246 119.070 -0.028 0.000 2.357 441 H HA -0.080 4.475 4.556 -0.001 0.000 0.301 441 H C 1.941 177.240 175.328 -0.048 0.000 1.082 441 H CA 1.765 57.782 56.048 -0.052 0.000 1.342 441 H CB 0.038 29.745 29.762 -0.091 0.000 1.389 441 H HN 0.053 nan 8.280 nan 0.000 0.511 442 V N 1.514 121.489 119.914 0.102 0.000 2.343 442 V HA -0.225 3.894 4.120 -0.001 0.000 0.247 442 V C 2.741 178.844 176.094 0.016 0.000 1.051 442 V CA 2.134 64.458 62.300 0.040 0.000 1.036 442 V CB -0.563 31.226 31.823 -0.056 0.000 0.654 442 V HN 0.355 nan 8.190 nan 0.000 0.451 443 K N 0.230 120.655 120.400 0.042 0.000 2.097 443 K HA -0.263 4.057 4.320 -0.001 0.000 0.206 443 K C 2.186 178.780 176.600 -0.010 0.000 1.049 443 K CA 2.011 58.324 56.287 0.042 0.000 0.933 443 K CB -0.130 32.410 32.500 0.068 0.000 0.717 443 K HN 0.605 nan 8.250 nan 0.000 0.442 444 E N 0.098 120.261 120.200 -0.060 0.000 2.152 444 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 444 E C 0.902 177.426 176.600 -0.128 0.000 0.983 444 E CA 1.039 57.375 56.400 -0.107 0.000 0.818 444 E CB 0.087 29.687 29.700 -0.168 0.000 0.758 444 E HN 0.254 nan 8.360 nan 0.000 0.467 445 N N -0.725 117.890 118.700 -0.142 0.000 2.234 445 N HA 0.170 4.909 4.740 -0.001 0.000 0.227 445 N C 0.814 176.296 175.510 -0.046 0.000 1.151 445 N CA 0.629 53.611 53.050 -0.113 0.000 0.865 445 N CB 0.483 38.883 38.487 -0.144 0.000 1.066 445 N HN 0.200 nan 8.380 nan 0.000 0.515 446 A N 0.635 123.443 122.820 -0.019 0.000 1.903 446 A HA -0.153 4.166 4.320 -0.001 0.000 0.219 446 A C 2.319 179.906 177.584 0.005 0.000 1.191 446 A CA 1.937 54.000 52.037 0.043 0.000 0.638 446 A CB -1.238 17.803 19.000 0.067 0.000 0.823 446 A HN 0.411 nan 8.150 nan 0.000 0.451 447 A N -0.214 122.525 122.820 -0.134 0.000 2.024 447 A HA -0.196 4.123 4.320 -0.001 0.000 0.220 447 A C 1.764 179.125 177.584 -0.371 0.000 1.164 447 A CA 1.746 53.560 52.037 -0.372 0.000 0.643 447 A CB -0.545 18.316 19.000 -0.232 0.000 0.806 447 A HN 0.625 nan 8.150 nan 0.000 0.451 448 N N -0.420 118.191 118.700 -0.148 0.000 2.373 448 N HA 0.127 4.867 4.740 -0.001 0.000 0.181 448 N C 0.273 175.793 175.510 0.017 0.000 1.082 448 N CA 0.141 53.148 53.050 -0.071 0.000 0.885 448 N CB 0.063 38.525 38.487 -0.042 0.000 0.977 448 N HN 0.481 nan 8.380 nan 0.000 0.462 449 I N 2.055 122.677 120.570 0.086 0.000 2.618 449 I HA -0.044 4.125 4.170 -0.001 0.000 0.284 449 I C 0.564 176.807 176.117 0.211 0.000 1.146 449 I CA 0.363 61.744 61.300 0.136 0.000 1.425 449 I CB 0.412 38.492 38.000 0.133 0.000 1.383 449 I HN -0.234 nan 8.210 nan 0.000 0.562 450 K N 4.262 124.724 120.400 0.103 0.000 2.095 450 K HA 0.500 4.819 4.320 -0.001 0.000 0.252 450 K C 0.378 176.989 176.600 0.019 0.000 0.977 450 K CA -0.651 55.682 56.287 0.076 0.000 0.900 450 K CB 1.284 33.810 32.500 0.043 0.000 1.060 450 K HN 0.747 nan 8.250 nan 0.000 0.449 451 G N 1.044 109.838 108.800 -0.010 0.000 2.616 451 G HA2 0.433 4.393 3.960 -0.001 0.000 0.268 451 G HA3 0.433 4.393 3.960 -0.001 0.000 0.268 451 G C -0.522 174.351 174.900 -0.044 0.000 1.213 451 G CA -0.630 44.436 45.100 -0.055 0.000 0.926 451 G HN 0.359 nan 8.290 nan 0.000 0.523 452 L N -1.016 120.173 121.223 -0.057 0.000 2.323 452 L HA 0.742 5.081 4.340 -0.001 0.000 0.265 452 L C 0.027 176.860 176.870 -0.062 0.000 1.012 452 L CA -0.829 53.982 54.840 -0.048 0.000 0.820 452 L CB 2.643 44.667 42.059 -0.058 0.000 1.334 452 L HN 0.598 nan 8.230 nan 0.000 0.427 453 T N 0.190 114.710 114.554 -0.057 0.000 2.956 453 T HA 0.521 4.871 4.350 -0.001 0.000 0.312 453 T C -0.783 173.916 174.700 -0.001 0.000 1.151 453 T CA -0.447 61.635 62.100 -0.030 0.000 1.024 453 T CB 0.643 69.526 68.868 0.025 0.000 1.140 453 T HN 0.204 nan 8.240 nan 0.000 0.473 454 F N 2.451 122.511 119.950 0.184 0.000 2.595 454 F HA 0.246 4.773 4.527 -0.001 0.000 0.359 454 F C 2.161 178.036 175.800 0.124 0.000 1.147 454 F CA 0.833 58.929 58.000 0.159 0.000 1.341 454 F CB 1.004 40.095 39.000 0.151 0.000 1.104 454 F HN 0.754 nan 8.300 nan 0.000 0.603 455 T N -1.456 113.316 114.554 0.364 0.000 2.969 455 T HA 0.153 4.503 4.350 -0.001 0.000 0.258 455 T C -0.765 174.129 174.700 0.325 0.000 0.962 455 T CA -0.132 62.125 62.100 0.263 0.000 0.903 455 T CB -0.057 68.929 68.868 0.196 0.000 1.177 455 T HN 0.472 nan 8.240 nan 0.000 0.511 456 Y N 1.016 121.451 120.300 0.225 0.000 2.348 456 Y HA 0.613 5.162 4.550 -0.001 0.000 0.321 456 Y C -1.962 174.033 175.900 0.159 0.000 1.163 456 Y CA -1.598 56.590 58.100 0.147 0.000 1.070 456 Y CB 1.648 40.179 38.460 0.119 0.000 1.250 456 Y HN 0.210 nan 8.280 nan 0.000 0.425 457 E N 8.126 127.936 120.200 -0.649 0.000 2.265 457 E HA 0.473 4.822 4.350 -0.001 0.000 0.262 457 E C -2.857 173.305 176.600 -0.731 0.000 0.889 457 E CA -2.203 53.755 56.400 -0.736 0.000 0.789 457 E CB 1.914 31.040 29.700 -0.957 0.000 1.221 457 E HN 0.466 nan 8.360 nan 0.000 0.414 458 P HA 0.087 nan 4.420 nan 0.000 0.272 458 P C 0.370 177.500 177.300 -0.283 0.000 1.240 458 P CA -0.468 62.401 63.100 -0.386 0.000 0.791 458 P CB 0.784 32.336 31.700 -0.247 0.000 0.978 459 K N 0.078 120.370 120.400 -0.181 0.000 2.155 459 K HA 0.087 4.406 4.320 -0.001 0.000 0.203 459 K C 0.688 177.211 176.600 -0.129 0.000 1.052 459 K CA 0.797 56.997 56.287 -0.144 0.000 0.948 459 K CB -0.157 32.288 32.500 -0.092 0.000 0.728 459 K HN 0.293 nan 8.250 nan 0.000 0.448 460 V N 0.229 120.073 119.914 -0.116 0.000 3.007 460 V HA 0.281 4.400 4.120 -0.001 0.000 0.311 460 V C -0.541 175.486 176.094 -0.112 0.000 1.120 460 V CA -1.013 61.228 62.300 -0.098 0.000 0.980 460 V CB 1.419 33.205 31.823 -0.061 0.000 1.033 460 V HN 0.316 nan 8.190 nan 0.000 0.429 461 L N 4.787 125.943 121.223 -0.111 0.000 3.739 461 L HA -0.214 4.125 4.340 -0.001 0.000 0.442 461 L C 1.965 178.646 176.870 -0.315 0.000 1.241 461 L CA 1.170 55.901 54.840 -0.182 0.000 0.819 461 L CB -1.153 40.843 42.059 -0.104 0.000 1.679 461 L HN 0.950 nan 8.230 nan 0.000 0.889 462 R N 0.193 120.540 120.500 -0.254 0.000 2.152 462 R HA -0.183 4.156 4.340 -0.001 0.000 0.232 462 R C 2.124 178.197 176.300 -0.379 0.000 1.117 462 R CA 1.706 57.632 56.100 -0.290 0.000 0.981 462 R CB -0.540 29.581 30.300 -0.297 0.000 0.870 462 R HN 0.779 nan 8.270 nan 0.000 0.451 463 H N -0.056 118.584 119.070 -0.716 0.000 2.456 463 H HA -0.080 4.475 4.556 -0.001 0.000 0.296 463 H C 1.561 176.705 175.328 -0.308 0.000 1.079 463 H CA 1.177 56.759 56.048 -0.776 0.000 1.322 463 H CB -0.833 28.455 29.762 -0.789 0.000 1.388 463 H HN 0.350 nan 8.280 nan 0.000 0.538 464 F N 1.904 121.334 119.950 -0.866 0.000 2.206 464 F HA -0.089 4.437 4.527 -0.001 0.000 0.298 464 F C 2.113 177.793 175.800 -0.201 0.000 1.090 464 F CA 1.381 58.946 58.000 -0.725 0.000 1.323 464 F CB 0.340 38.910 39.000 -0.716 0.000 1.028 464 F HN 0.369 nan 8.300 nan 0.000 0.492 465 T N -3.151 111.463 114.554 0.100 0.000 3.144 465 T HA 0.524 4.873 4.350 -0.001 0.000 0.290 465 T C 0.300 175.178 174.700 0.296 0.000 0.966 465 T CA -0.141 62.079 62.100 0.200 0.000 0.907 465 T CB -0.276 68.710 68.868 0.196 0.000 1.152 465 T HN 0.087 nan 8.240 nan 0.000 0.532 466 A N 1.752 124.729 122.820 0.262 0.000 2.386 466 A HA 0.616 4.936 4.320 -0.001 0.000 0.248 466 A C 0.045 177.889 177.584 0.433 0.000 1.082 466 A CA -0.301 51.939 52.037 0.338 0.000 0.789 466 A CB 0.361 19.657 19.000 0.493 0.000 1.025 466 A HN 0.516 nan 8.150 nan 0.000 0.490 467 K N 0.466 121.139 120.400 0.455 0.000 2.316 467 K HA 0.679 4.998 4.320 -0.001 0.000 0.251 467 K C -1.540 175.224 176.600 0.272 0.000 0.934 467 K CA -0.435 56.046 56.287 0.323 0.000 0.802 467 K CB 1.713 34.397 32.500 0.307 0.000 1.171 467 K HN 0.497 nan 8.250 nan 0.000 0.426 468 L N 1.285 122.578 121.223 0.117 0.000 2.322 468 L HA 0.563 4.902 4.340 -0.001 0.000 0.252 468 L C -0.801 176.084 176.870 0.026 0.000 1.055 468 L CA -0.791 54.067 54.840 0.031 0.000 0.849 468 L CB 1.580 43.546 42.059 -0.154 0.000 1.446 468 L HN 0.622 nan 8.230 nan 0.000 0.416 469 K N -1.186 119.223 120.400 0.016 0.000 2.480 469 K HA 0.653 4.972 4.320 -0.001 0.000 0.258 469 K C -1.182 175.418 176.600 0.001 0.000 0.990 469 K CA -0.887 55.411 56.287 0.018 0.000 0.857 469 K CB 2.037 34.560 32.500 0.039 0.000 1.384 469 K HN 0.455 nan 8.250 nan 0.000 0.446 470 E N 0.966 121.168 120.200 0.005 0.000 2.366 470 E HA 0.150 4.499 4.350 -0.001 0.000 0.266 470 E C -0.180 176.423 176.600 0.006 0.000 1.051 470 E CA -0.690 55.711 56.400 0.002 0.000 0.884 470 E CB 1.498 31.204 29.700 0.009 0.000 1.006 470 E HN 0.271 nan 8.360 nan 0.000 0.417 471 V N 0.000 119.914 119.914 0.000 0.000 2.409 471 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 471 V CA 0.000 62.301 62.300 0.002 0.000 1.235 471 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 471 V HN 0.000 nan 8.190 nan 0.000 0.556