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 1g95_1_A DATA FIRST_RESID 2 DATA SEQUENCE SNFAIILAAG KGTRMKSDLP KVLHKVAGIS MLEHVFRSVG AIQPEKTVTV DATA SEQUENCE VGHKAELVEE VLAGQTEFVT QSEQLGTGHA VMMTEPILEG LSGHTLVIAG DATA SEQUENCE DTPLITGESL KNLIDFHINH KNVATILTAE TDNPFGYGRI VRNDNAEVLR DATA SEQUENCE IVEQKDATDF EKQIKEINTG TYVFDNERLF EALKNIXXXX XXGEYYITDV DATA SEQUENCE IGIFRETGEK VGAYTLKDFD ESLGVNDRVA LATAESVMRR RINHKHMVNG DATA SEQUENCE VSFVNPEATY IDIDVEIASE VQIEANVTLK GQTKIGAETV LTNGTYVVDS DATA SEQUENCE TIGAGAVITN SMIEESSVAD GVIVGPYAHI RPNSSLGAQV HIGNFVEVKG DATA SEQUENCE SSIGENTKAG HLTYIGNCEV GSNVNFGAGT ITVNYDGKNK YKTVIGNNVF DATA SEQUENCE VGSNSTIIAP VELGDNSLVG AGSTITKDVP ADAIAIGRGR QINKDEYATR DATA SEQUENCE L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.253 174.600 -0.578 0.000 1.055 2 S CA 0.000 57.961 58.200 -0.398 0.000 1.107 2 S CB 0.000 62.980 63.200 -0.366 0.000 0.593 3 N N 1.367 119.701 118.700 -0.611 0.000 2.284 3 N HA 0.763 5.502 4.740 -0.001 0.000 0.300 3 N C -1.435 173.670 175.510 -0.675 0.000 1.047 3 N CA -0.356 52.416 53.050 -0.463 0.000 0.821 3 N CB 0.998 39.381 38.487 -0.174 0.000 1.337 3 N HN 0.394 nan 8.380 nan 0.000 0.482 4 F N 0.413 120.378 119.950 0.025 0.000 2.618 4 F HA 0.842 5.369 4.527 -0.001 0.000 0.332 4 F C 0.147 175.977 175.800 0.050 0.000 1.061 4 F CA -1.015 57.010 58.000 0.040 0.000 0.974 4 F CB 1.598 40.639 39.000 0.068 0.000 1.310 4 F HN 0.409 nan 8.300 nan 0.000 0.491 5 A N 1.635 124.613 122.820 0.263 0.000 2.517 5 A HA 0.731 5.051 4.320 -0.001 0.000 0.297 5 A C -1.854 175.832 177.584 0.172 0.000 1.050 5 A CA -0.508 51.631 52.037 0.170 0.000 0.694 5 A CB 1.479 20.532 19.000 0.090 0.000 1.277 5 A HN 0.829 nan 8.150 nan 0.000 0.400 6 I N 3.141 123.813 120.570 0.169 0.000 2.418 6 I HA 0.612 4.781 4.170 -0.001 0.000 0.287 6 I C -1.499 174.715 176.117 0.161 0.000 1.008 6 I CA -1.107 60.294 61.300 0.169 0.000 1.104 6 I CB 0.942 39.055 38.000 0.189 0.000 1.264 6 I HN 0.588 nan 8.210 nan 0.000 0.438 7 I N 8.119 128.786 120.570 0.161 0.000 2.330 7 I HA 0.290 4.460 4.170 -0.001 0.000 0.289 7 I C -0.420 175.798 176.117 0.168 0.000 1.001 7 I CA -0.623 60.777 61.300 0.167 0.000 1.193 7 I CB 1.363 39.479 38.000 0.193 0.000 1.345 7 I HN 0.404 nan 8.210 nan 0.000 0.461 8 L N 6.780 128.098 121.223 0.158 0.000 2.313 8 L HA 0.555 4.895 4.340 -0.001 0.000 0.282 8 L C 0.489 177.445 176.870 0.143 0.000 1.092 8 L CA -0.174 54.758 54.840 0.153 0.000 0.831 8 L CB 0.845 42.996 42.059 0.153 0.000 1.159 8 L HN 0.762 nan 8.230 nan 0.000 0.442 9 A N 2.783 125.688 122.820 0.143 0.000 3.474 9 A HA 0.643 4.963 4.320 -0.001 0.000 0.251 9 A C 0.381 178.039 177.584 0.122 0.000 1.062 9 A CA 0.232 52.347 52.037 0.131 0.000 0.945 9 A CB 0.641 19.724 19.000 0.138 0.000 1.296 9 A HN 0.777 nan 8.150 nan 0.000 0.592 10 A N -0.183 122.708 122.820 0.118 0.000 2.141 10 A HA 0.598 4.918 4.320 -0.001 0.000 0.201 10 A C 1.348 178.995 177.584 0.105 0.000 1.344 10 A CA 0.784 52.890 52.037 0.115 0.000 0.971 10 A CB -0.333 18.737 19.000 0.116 0.000 1.035 10 A HN 1.497 nan 8.150 nan 0.000 0.480 11 G N 0.036 108.889 108.800 0.088 0.000 2.559 11 G HA2 0.242 4.202 3.960 -0.001 0.000 0.235 11 G HA3 0.242 4.202 3.960 -0.001 0.000 0.235 11 G C 0.598 175.520 174.900 0.036 0.000 1.266 11 G CA 0.386 45.520 45.100 0.056 0.000 0.847 11 G HN 0.405 nan 8.290 nan 0.000 0.583 12 K N 0.907 121.287 120.400 -0.033 0.000 2.166 12 K HA 0.196 4.515 4.320 -0.001 0.000 0.201 12 K C 1.246 177.809 176.600 -0.062 0.000 1.052 12 K CA 0.773 56.978 56.287 -0.137 0.000 0.969 12 K CB -0.163 32.161 32.500 -0.294 0.000 0.761 12 K HN 1.253 nan 8.250 nan 0.000 0.459 13 G N 1.781 110.559 108.800 -0.036 0.000 2.689 13 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.273 13 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.273 13 G C 0.350 175.229 174.900 -0.035 0.000 1.062 13 G CA 0.361 45.448 45.100 -0.021 0.000 1.279 13 G HN 0.419 nan 8.290 nan 0.000 0.547 14 T N -1.171 113.359 114.554 -0.040 0.000 2.904 14 T HA -0.015 4.334 4.350 -0.001 0.000 0.267 14 T C 2.083 176.764 174.700 -0.030 0.000 1.059 14 T CA 1.345 63.423 62.100 -0.037 0.000 1.137 14 T CB -0.009 68.838 68.868 -0.035 0.000 0.879 14 T HN 0.527 nan 8.240 nan 0.000 0.467 15 R N 0.089 120.569 120.500 -0.033 0.000 2.316 15 R HA 0.230 4.569 4.340 -0.001 0.000 0.202 15 R C 2.038 178.310 176.300 -0.046 0.000 1.029 15 R CA 0.496 56.575 56.100 -0.034 0.000 1.018 15 R CB -0.232 30.047 30.300 -0.034 0.000 0.888 15 R HN 0.348 nan 8.270 nan 0.000 0.471 16 M N 0.264 119.829 119.600 -0.058 0.000 2.334 16 M HA -0.004 4.475 4.480 -0.001 0.000 0.266 16 M C 0.396 176.674 176.300 -0.037 0.000 1.082 16 M CA 0.995 56.240 55.300 -0.092 0.000 1.141 16 M CB -0.121 32.397 32.600 -0.136 0.000 1.380 16 M HN -0.028 nan 8.290 nan 0.000 0.440 17 K N 1.204 121.597 120.400 -0.012 0.000 3.239 17 K HA -0.114 4.205 4.320 -0.001 0.000 0.270 17 K C -0.172 176.450 176.600 0.037 0.000 1.049 17 K CA 0.432 56.724 56.287 0.007 0.000 0.769 17 K CB -1.731 30.770 32.500 0.002 0.000 1.305 17 K HN 0.351 nan 8.250 nan 0.000 0.469 18 S N -0.702 115.034 115.700 0.061 0.000 2.564 18 S HA 0.298 4.768 4.470 -0.001 0.000 0.274 18 S C 0.010 174.668 174.600 0.097 0.000 1.124 18 S CA -0.873 57.395 58.200 0.114 0.000 0.869 18 S CB 1.802 65.158 63.200 0.260 0.000 1.105 18 S HN 0.220 nan 8.310 nan 0.000 0.472 19 D N 1.280 121.738 120.400 0.097 0.000 2.350 19 D HA 0.100 4.739 4.640 -0.001 0.000 0.213 19 D C 0.354 176.772 176.300 0.195 0.000 1.031 19 D CA 0.167 54.242 54.000 0.125 0.000 0.861 19 D CB 0.285 41.145 40.800 0.100 0.000 0.926 19 D HN 0.361 nan 8.370 nan 0.000 0.520 20 L N 1.782 123.074 121.223 0.115 0.000 2.397 20 L HA 0.254 4.593 4.340 -0.001 0.000 0.271 20 L C -2.432 174.521 176.870 0.138 0.000 1.148 20 L CA -1.223 53.643 54.840 0.043 0.000 0.825 20 L CB 0.704 42.651 42.059 -0.186 0.000 1.117 20 L HN -0.313 nan 8.230 nan 0.000 0.456 21 P HA 0.011 nan 4.420 nan 0.000 0.264 21 P C 0.017 177.432 177.300 0.192 0.000 1.193 21 P CA 0.100 63.336 63.100 0.227 0.000 0.763 21 P CB 0.539 32.330 31.700 0.153 0.000 0.810 22 K N 3.373 123.905 120.400 0.219 0.000 2.052 22 K HA -0.227 4.092 4.320 -0.001 0.000 0.215 22 K C 1.511 178.280 176.600 0.281 0.000 1.053 22 K CA 2.456 58.907 56.287 0.274 0.000 0.934 22 K CB -0.621 31.952 32.500 0.122 0.000 0.717 22 K HN 0.359 nan 8.250 nan 0.000 0.450 23 V N -0.710 119.308 119.914 0.173 0.000 2.867 23 V HA -0.146 3.974 4.120 -0.001 0.000 0.260 23 V C 1.787 177.961 176.094 0.133 0.000 1.099 23 V CA 1.454 63.842 62.300 0.146 0.000 1.122 23 V CB -0.579 31.317 31.823 0.122 0.000 0.708 23 V HN 0.254 nan 8.190 nan 0.000 0.490 24 L N -0.844 120.439 121.223 0.100 0.000 2.509 24 L HA 0.233 4.572 4.340 -0.001 0.000 0.222 24 L C 0.918 177.786 176.870 -0.003 0.000 1.123 24 L CA -0.002 54.854 54.840 0.026 0.000 0.856 24 L CB -0.591 41.448 42.059 -0.033 0.000 0.985 24 L HN 0.397 nan 8.230 nan 0.000 0.456 25 H N 1.206 120.311 119.070 0.057 0.000 2.928 25 H HA 0.058 4.613 4.556 -0.001 0.000 0.338 25 H C 0.141 175.510 175.328 0.069 0.000 1.047 25 H CA 0.676 56.757 56.048 0.054 0.000 1.435 25 H CB 0.430 30.218 29.762 0.045 0.000 1.428 25 H HN 0.029 nan 8.280 nan 0.000 0.590 26 K N 1.884 122.380 120.400 0.159 0.000 2.118 26 K HA 0.483 4.802 4.320 -0.001 0.000 0.264 26 K C -0.872 175.818 176.600 0.150 0.000 1.000 26 K CA -0.664 55.709 56.287 0.144 0.000 0.929 26 K CB 1.570 34.131 32.500 0.102 0.000 1.021 26 K HN 0.188 nan 8.250 nan 0.000 0.463 27 V N 1.606 121.629 119.914 0.182 0.000 2.532 27 V HA 0.301 4.420 4.120 -0.001 0.000 0.294 27 V C -0.267 175.954 176.094 0.212 0.000 1.036 27 V CA -0.598 61.782 62.300 0.135 0.000 0.876 27 V CB 1.220 33.048 31.823 0.009 0.000 1.012 27 V HN 0.982 nan 8.190 nan 0.000 0.432 28 A N 3.853 126.762 122.820 0.148 0.000 2.745 28 A HA 0.076 4.395 4.320 -0.001 0.000 0.296 28 A C 1.811 179.493 177.584 0.163 0.000 1.500 28 A CA 1.813 53.944 52.037 0.157 0.000 0.766 28 A CB -1.415 17.678 19.000 0.155 0.000 1.030 28 A HN 2.686 nan 8.150 nan 0.000 0.489 29 G N -1.932 106.948 108.800 0.134 0.000 2.475 29 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.209 29 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.209 29 G C 0.430 175.375 174.900 0.075 0.000 1.127 29 G CA 0.225 45.382 45.100 0.096 0.000 0.681 29 G HN 2.310 nan 8.290 nan 0.000 0.517 30 I N 0.453 121.069 120.570 0.078 0.000 2.863 30 I HA 0.811 4.981 4.170 -0.001 0.000 0.311 30 I C 0.769 176.938 176.117 0.087 0.000 1.026 30 I CA -0.340 60.965 61.300 0.007 0.000 1.077 30 I CB 1.974 39.884 38.000 -0.151 0.000 1.262 30 I HN 0.487 nan 8.210 nan 0.000 0.461 31 S N 3.351 119.087 115.700 0.060 0.000 2.580 31 S HA 0.184 4.654 4.470 -0.001 0.000 0.266 31 S C 0.937 175.674 174.600 0.229 0.000 1.354 31 S CA -0.518 57.754 58.200 0.120 0.000 1.008 31 S CB 0.977 64.218 63.200 0.068 0.000 0.898 31 S HN 0.809 nan 8.310 nan 0.000 0.555 32 M N 0.641 120.381 119.600 0.233 0.000 2.117 32 M HA -0.078 4.401 4.480 -0.001 0.000 0.262 32 M C 2.073 178.507 176.300 0.223 0.000 1.065 32 M CA 1.264 56.714 55.300 0.250 0.000 1.114 32 M CB -0.798 31.895 32.600 0.154 0.000 1.361 32 M HN 0.746 nan 8.290 nan 0.000 0.408 33 L N 1.034 122.356 121.223 0.165 0.000 2.043 33 L HA -0.198 4.141 4.340 -0.001 0.000 0.212 33 L C 2.012 178.982 176.870 0.167 0.000 1.075 33 L CA 1.994 56.926 54.840 0.153 0.000 0.752 33 L CB -0.651 41.479 42.059 0.118 0.000 0.891 33 L HN 0.286 nan 8.230 nan 0.000 0.432 34 E N -1.541 118.726 120.200 0.112 0.000 2.106 34 E HA -0.214 4.135 4.350 -0.001 0.000 0.192 34 E C 2.075 178.728 176.600 0.088 0.000 0.984 34 E CA 1.132 57.576 56.400 0.072 0.000 0.806 34 E CB -0.230 29.441 29.700 -0.049 0.000 0.750 34 E HN 0.654 nan 8.360 nan 0.000 0.458 35 H N -0.017 119.124 119.070 0.118 0.000 2.353 35 H HA -0.082 4.473 4.556 -0.001 0.000 0.300 35 H C 2.352 177.734 175.328 0.089 0.000 1.090 35 H CA 1.166 57.267 56.048 0.089 0.000 1.327 35 H CB -0.051 29.747 29.762 0.061 0.000 1.383 35 H HN 0.046 nan 8.280 nan 0.000 0.508 36 V N 1.115 121.168 119.914 0.232 0.000 2.261 36 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 36 V C 2.346 178.533 176.094 0.155 0.000 1.047 36 V CA 1.840 64.238 62.300 0.163 0.000 1.015 36 V CB -0.887 31.031 31.823 0.159 0.000 0.642 36 V HN 0.225 nan 8.190 nan 0.000 0.446 37 F N 1.244 121.230 119.950 0.061 0.000 2.154 37 F HA -0.219 4.308 4.527 0.000 0.000 0.301 37 F C 2.551 178.368 175.800 0.028 0.000 1.087 37 F CA 1.792 59.818 58.000 0.043 0.000 1.274 37 F CB -0.259 38.767 39.000 0.042 0.000 1.009 37 F HN -0.015 nan 8.300 nan 0.000 0.485 38 R N -0.468 120.064 120.500 0.054 0.000 2.092 38 R HA -0.103 4.237 4.340 -0.001 0.000 0.231 38 R C 2.358 178.603 176.300 -0.093 0.000 1.119 38 R CA 1.483 57.558 56.100 -0.041 0.000 0.970 38 R CB -0.604 29.726 30.300 0.051 0.000 0.864 38 R HN 0.236 nan 8.270 nan 0.000 0.440 39 S N 0.372 116.048 115.700 -0.040 0.000 2.402 39 S HA -0.072 4.398 4.470 -0.001 0.000 0.229 39 S C 2.089 176.633 174.600 -0.093 0.000 1.021 39 S CA 0.857 59.030 58.200 -0.045 0.000 0.974 39 S CB -0.060 63.135 63.200 -0.007 0.000 0.800 39 S HN 0.057 nan 8.310 nan 0.000 0.484 40 V N 1.887 121.718 119.914 -0.138 0.000 2.287 40 V HA -0.174 3.945 4.120 -0.001 0.000 0.248 40 V C 2.591 178.558 176.094 -0.212 0.000 1.053 40 V CA 1.991 64.191 62.300 -0.167 0.000 1.027 40 V CB -1.439 30.267 31.823 -0.195 0.000 0.646 40 V HN 0.595 nan 8.190 nan 0.000 0.447 41 G N -0.728 107.880 108.800 -0.320 0.000 2.564 41 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.216 41 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.216 41 G C 1.581 176.391 174.900 -0.150 0.000 1.124 41 G CA 0.860 45.802 45.100 -0.263 0.000 0.764 41 G HN 0.629 nan 8.290 nan 0.000 0.550 42 A N 1.043 123.790 122.820 -0.122 0.000 2.067 42 A HA 0.109 4.428 4.320 -0.001 0.000 0.219 42 A C 2.158 179.696 177.584 -0.076 0.000 1.158 42 A CA 1.132 53.119 52.037 -0.083 0.000 0.661 42 A CB -0.274 18.685 19.000 -0.068 0.000 0.801 42 A HN 0.791 nan 8.150 nan 0.000 0.452 43 I N -2.496 118.023 120.570 -0.085 0.000 3.861 43 I HA 0.094 4.263 4.170 -0.001 0.000 0.329 43 I C 0.169 176.236 176.117 -0.084 0.000 1.321 43 I CA 0.114 61.369 61.300 -0.075 0.000 1.126 43 I CB -0.359 37.600 38.000 -0.068 0.000 1.018 43 I HN 0.429 nan 8.210 nan 0.000 0.407 44 Q N 1.277 121.023 119.800 -0.091 0.000 2.410 44 Q HA -0.135 4.204 4.340 -0.001 0.000 0.369 44 Q C -2.175 173.765 176.000 -0.100 0.000 1.342 44 Q CA 0.095 55.844 55.803 -0.090 0.000 1.133 44 Q CB -1.819 26.876 28.738 -0.071 0.000 1.288 44 Q HN 0.474 nan 8.270 nan 0.000 0.320 45 P HA 0.000 nan 4.420 nan 0.000 0.267 45 P C 0.453 177.708 177.300 -0.074 0.000 1.209 45 P CA 0.208 63.252 63.100 -0.094 0.000 0.763 45 P CB 0.968 32.641 31.700 -0.044 0.000 0.816 46 E N 3.349 123.463 120.200 -0.143 0.000 2.077 46 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 46 E C -0.031 176.615 176.600 0.077 0.000 0.989 46 E CA 1.193 57.549 56.400 -0.072 0.000 0.800 46 E CB 0.217 29.803 29.700 -0.189 0.000 0.746 46 E HN 0.468 nan 8.360 nan 0.000 0.452 47 K N -0.298 120.217 120.400 0.193 0.000 2.498 47 K HA 0.341 4.661 4.320 -0.001 0.000 0.254 47 K C -1.508 175.210 176.600 0.196 0.000 0.933 47 K CA -0.523 55.897 56.287 0.220 0.000 0.806 47 K CB 2.436 35.113 32.500 0.295 0.000 1.301 47 K HN -0.194 nan 8.250 nan 0.000 0.432 48 T N 1.404 116.026 114.554 0.113 0.000 2.840 48 T HA 0.390 4.740 4.350 -0.001 0.000 0.287 48 T C -0.895 173.831 174.700 0.044 0.000 0.991 48 T CA -0.649 61.512 62.100 0.100 0.000 0.964 48 T CB 1.363 70.298 68.868 0.112 0.000 0.954 48 T HN 0.185 nan 8.240 nan 0.000 0.438 49 V N 3.241 123.194 119.914 0.064 0.000 2.495 49 V HA 0.601 4.721 4.120 -0.001 0.000 0.298 49 V C 0.015 176.147 176.094 0.063 0.000 1.031 49 V CA -0.754 61.560 62.300 0.024 0.000 0.871 49 V CB 2.063 33.922 31.823 0.061 0.000 0.988 49 V HN 0.954 nan 8.190 nan 0.000 0.432 50 T N 3.782 118.358 114.554 0.037 0.000 2.791 50 T HA 0.434 4.783 4.350 -0.001 0.000 0.288 50 T C -0.241 174.612 174.700 0.254 0.000 0.999 50 T CA -0.355 61.846 62.100 0.169 0.000 0.952 50 T CB 1.399 70.402 68.868 0.225 0.000 0.938 50 T HN 0.358 nan 8.240 nan 0.000 0.444 51 V N 5.206 125.241 119.914 0.202 0.000 2.508 51 V HA 0.402 4.522 4.120 -0.001 0.000 0.281 51 V C 0.670 176.870 176.094 0.176 0.000 1.041 51 V CA -0.329 62.079 62.300 0.180 0.000 1.016 51 V CB 0.477 32.392 31.823 0.152 0.000 0.984 51 V HN 0.766 nan 8.190 nan 0.000 0.478 52 V N 2.548 122.554 119.914 0.154 0.000 3.158 52 V HA 1.126 5.245 4.120 -0.001 0.000 0.315 52 V C 0.335 176.480 176.094 0.086 0.000 1.148 52 V CA 0.389 62.751 62.300 0.103 0.000 1.042 52 V CB 1.717 33.560 31.823 0.034 0.000 1.101 52 V HN 0.850 nan 8.190 nan 0.000 0.448 53 G N -0.312 108.530 108.800 0.070 0.000 3.410 53 G HA2 0.146 4.105 3.960 -0.001 0.000 0.127 53 G HA3 0.146 4.105 3.960 -0.001 0.000 0.127 53 G C -0.307 174.638 174.900 0.075 0.000 1.332 53 G CA 0.213 45.360 45.100 0.079 0.000 1.156 53 G HN 1.166 nan 8.290 nan 0.000 0.591 54 H N 2.181 121.260 119.070 0.014 0.000 2.975 54 H HA 0.419 4.975 4.556 0.000 0.000 0.303 54 H C 0.452 175.775 175.328 -0.009 0.000 1.023 54 H CA 0.653 56.704 56.048 0.005 0.000 1.473 54 H CB 0.217 29.987 29.762 0.014 0.000 1.498 54 H HN 0.370 nan 8.280 nan 0.000 0.549 55 K N 3.201 123.292 120.400 -0.516 0.000 3.278 55 K HA -0.269 4.051 4.320 -0.001 0.000 0.270 55 K C 1.142 177.614 176.600 -0.213 0.000 0.955 55 K CA 0.303 56.350 56.287 -0.400 0.000 0.723 55 K CB -1.370 30.821 32.500 -0.516 0.000 1.382 55 K HN 0.787 nan 8.250 nan 0.000 0.461 56 A N 0.752 123.480 122.820 -0.153 0.000 1.997 56 A HA -0.298 4.021 4.320 -0.001 0.000 0.221 56 A C 2.032 179.505 177.584 -0.185 0.000 1.172 56 A CA 2.204 54.156 52.037 -0.142 0.000 0.645 56 A CB -0.253 18.682 19.000 -0.108 0.000 0.813 56 A HN 0.612 nan 8.150 nan 0.000 0.454 57 E N 0.388 120.493 120.200 -0.159 0.000 2.023 57 E HA -0.177 4.173 4.350 -0.001 0.000 0.196 57 E C 1.841 178.348 176.600 -0.155 0.000 1.003 57 E CA 1.693 58.003 56.400 -0.149 0.000 0.809 57 E CB -0.547 29.084 29.700 -0.115 0.000 0.755 57 E HN 0.597 nan 8.360 nan 0.000 0.449 58 L N -0.277 120.862 121.223 -0.139 0.000 1.990 58 L HA -0.240 4.099 4.340 -0.001 0.000 0.213 58 L C 2.557 179.351 176.870 -0.127 0.000 1.072 58 L CA 1.525 56.293 54.840 -0.119 0.000 0.755 58 L CB -0.774 41.220 42.059 -0.107 0.000 0.889 58 L HN 0.110 nan 8.230 nan 0.000 0.432 59 V N -0.290 119.537 119.914 -0.144 0.000 2.343 59 V HA -0.275 3.844 4.120 -0.001 0.000 0.247 59 V C 2.339 178.281 176.094 -0.254 0.000 1.051 59 V CA 1.888 64.098 62.300 -0.150 0.000 1.036 59 V CB -0.618 31.131 31.823 -0.123 0.000 0.654 59 V HN 0.464 nan 8.190 nan 0.000 0.451 60 E N -0.054 119.903 120.200 -0.404 0.000 2.209 60 E HA -0.249 4.100 4.350 -0.001 0.000 0.196 60 E C 2.200 178.634 176.600 -0.276 0.000 0.993 60 E CA 1.365 57.400 56.400 -0.608 0.000 0.819 60 E CB -0.143 29.201 29.700 -0.594 0.000 0.745 60 E HN 0.718 nan 8.360 nan 0.000 0.477 61 E N 0.274 120.370 120.200 -0.173 0.000 2.106 61 E HA -0.142 4.208 4.350 -0.001 0.000 0.192 61 E C 2.198 178.757 176.600 -0.068 0.000 0.984 61 E CA 1.020 57.363 56.400 -0.095 0.000 0.806 61 E CB 0.080 29.732 29.700 -0.080 0.000 0.750 61 E HN 0.083 nan 8.360 nan 0.000 0.458 62 V N 1.310 121.178 119.914 -0.077 0.000 2.237 62 V HA -0.216 3.903 4.120 -0.001 0.000 0.245 62 V C 1.920 177.978 176.094 -0.060 0.000 1.046 62 V CA 1.489 63.754 62.300 -0.058 0.000 1.007 62 V CB -0.312 31.481 31.823 -0.050 0.000 0.638 62 V HN 0.263 nan 8.190 nan 0.000 0.445 63 L N 0.471 121.682 121.223 -0.020 0.000 2.848 63 L HA 0.447 4.786 4.340 -0.001 0.000 0.240 63 L C 0.825 177.787 176.870 0.153 0.000 1.232 63 L CA -0.406 54.411 54.840 -0.038 0.000 1.031 63 L CB -0.223 41.781 42.059 -0.092 0.000 1.338 63 L HN 0.244 nan 8.230 nan 0.000 0.509 64 A N 0.145 123.046 122.820 0.134 0.000 2.524 64 A HA 0.409 4.728 4.320 -0.001 0.000 0.250 64 A C 1.459 179.099 177.584 0.094 0.000 1.078 64 A CA 0.867 53.015 52.037 0.185 0.000 0.761 64 A CB -0.122 18.920 19.000 0.070 0.000 1.012 64 A HN 0.675 nan 8.150 nan 0.000 0.500 65 G N 1.460 110.321 108.800 0.102 0.000 2.225 65 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.254 65 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.254 65 G C 0.668 175.571 174.900 0.004 0.000 0.988 65 G CA 0.735 45.858 45.100 0.038 0.000 0.625 65 G HN 1.338 nan 8.290 nan 0.000 0.527 66 Q N -0.576 119.199 119.800 -0.042 0.000 2.247 66 Q HA 0.455 4.794 4.340 -0.001 0.000 0.211 66 Q C 0.534 176.544 176.000 0.016 0.000 0.861 66 Q CA 0.838 56.635 55.803 -0.010 0.000 0.949 66 Q CB 0.960 29.649 28.738 -0.082 0.000 1.115 66 Q HN 0.621 nan 8.270 nan 0.000 0.507 67 T N -0.078 114.378 114.554 -0.163 0.000 2.907 67 T HA 0.166 4.516 4.350 -0.001 0.000 0.344 67 T C -1.814 172.508 174.700 -0.630 0.000 1.675 67 T CA -0.621 61.329 62.100 -0.249 0.000 1.076 67 T CB 1.789 70.550 68.868 -0.178 0.000 1.483 67 T HN 0.257 nan 8.240 nan 0.000 0.487 68 E N 1.499 121.421 120.200 -0.463 0.000 2.349 68 E HA 0.590 4.939 4.350 -0.001 0.000 0.262 68 E C -0.947 175.264 176.600 -0.649 0.000 1.088 68 E CA -0.388 55.748 56.400 -0.440 0.000 0.899 68 E CB 0.762 30.371 29.700 -0.151 0.000 1.044 68 E HN 0.371 nan 8.360 nan 0.000 0.420 69 F N -0.179 119.789 119.950 0.030 0.000 2.593 69 F HA 0.520 5.045 4.527 -0.004 0.000 0.320 69 F C -0.425 175.389 175.800 0.024 0.000 1.060 69 F CA -1.029 56.988 58.000 0.029 0.000 0.940 69 F CB 1.764 40.773 39.000 0.015 0.000 1.268 69 F HN 0.151 nan 8.300 nan 0.000 0.475 70 V N -1.679 118.385 119.914 0.250 0.000 2.817 70 V HA 0.680 4.799 4.120 -0.001 0.000 0.303 70 V C -0.794 175.374 176.094 0.123 0.000 1.151 70 V CA -0.720 61.663 62.300 0.137 0.000 0.929 70 V CB 0.994 32.871 31.823 0.090 0.000 1.030 70 V HN 0.727 nan 8.190 nan 0.000 0.427 71 T N 3.841 118.447 114.554 0.086 0.000 2.875 71 T HA 0.520 4.869 4.350 -0.001 0.000 0.284 71 T C -0.419 174.334 174.700 0.087 0.000 0.995 71 T CA -0.173 61.971 62.100 0.073 0.000 1.060 71 T CB 1.482 70.377 68.868 0.045 0.000 0.967 71 T HN 0.948 nan 8.240 nan 0.000 0.476 72 Q N 2.234 122.097 119.800 0.104 0.000 2.368 72 Q HA 0.357 4.696 4.340 -0.001 0.000 0.263 72 Q C 0.597 176.662 176.000 0.108 0.000 1.009 72 Q CA -0.466 55.429 55.803 0.154 0.000 0.818 72 Q CB 0.775 29.624 28.738 0.185 0.000 1.239 72 Q HN 0.702 nan 8.270 nan 0.000 0.464 73 S N 3.134 118.894 115.700 0.101 0.000 2.426 73 S HA -0.188 4.281 4.470 -0.001 0.000 0.220 73 S C 0.476 175.081 174.600 0.007 0.000 1.040 73 S CA 1.369 59.594 58.200 0.041 0.000 1.094 73 S CB -0.063 63.153 63.200 0.026 0.000 1.072 73 S HN 0.764 nan 8.310 nan 0.000 0.415 74 E N 0.517 120.686 120.200 -0.051 0.000 2.221 74 E HA 0.215 4.564 4.350 -0.001 0.000 0.268 74 E C -1.073 175.464 176.600 -0.106 0.000 0.933 74 E CA -0.450 55.904 56.400 -0.077 0.000 0.809 74 E CB 0.822 30.456 29.700 -0.110 0.000 1.190 74 E HN 0.234 nan 8.360 nan 0.000 0.406 75 Q N 3.014 122.773 119.800 -0.068 0.000 2.359 75 Q HA 0.094 4.433 4.340 -0.001 0.000 0.249 75 Q C 0.017 175.944 176.000 -0.120 0.000 1.181 75 Q CA 0.269 56.039 55.803 -0.055 0.000 0.897 75 Q CB 0.235 28.961 28.738 -0.019 0.000 1.424 75 Q HN 0.459 nan 8.270 nan 0.000 0.478 76 L N 1.800 122.909 121.223 -0.192 0.000 3.017 76 L HA 0.320 4.659 4.340 -0.001 0.000 0.255 76 L C 0.694 177.464 176.870 -0.168 0.000 1.247 76 L CA -0.414 54.251 54.840 -0.291 0.000 1.038 76 L CB -0.067 41.618 42.059 -0.623 0.000 1.380 76 L HN 0.802 nan 8.230 nan 0.000 0.548 77 G N 0.279 109.051 108.800 -0.047 0.000 2.746 77 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.685 77 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.685 77 G C 0.673 175.646 174.900 0.121 0.000 1.350 77 G CA -0.143 44.974 45.100 0.029 0.000 0.837 77 G HN 0.297 nan 8.290 nan 0.000 0.564 78 T N -1.820 112.835 114.554 0.169 0.000 2.881 78 T HA 0.094 4.444 4.350 -0.001 0.000 0.270 78 T C 2.571 177.362 174.700 0.152 0.000 1.068 78 T CA 2.119 64.324 62.100 0.176 0.000 1.131 78 T CB -0.472 68.522 68.868 0.209 0.000 0.871 78 T HN 1.925 nan 8.240 nan 0.000 0.479 79 G N 0.756 109.651 108.800 0.157 0.000 2.433 79 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.216 79 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.216 79 G C 1.366 176.394 174.900 0.213 0.000 1.186 79 G CA 0.983 46.170 45.100 0.145 0.000 0.779 79 G HN 0.710 nan 8.290 nan 0.000 0.543 80 H N 0.987 120.157 119.070 0.166 0.000 2.387 80 H HA 0.138 4.693 4.556 -0.002 0.000 0.299 80 H C 2.654 178.038 175.328 0.094 0.000 1.090 80 H CA 1.800 57.913 56.048 0.110 0.000 1.332 80 H CB -0.168 29.561 29.762 -0.055 0.000 1.386 80 H HN 0.296 nan 8.280 nan 0.000 0.516 81 A N -0.015 122.902 122.820 0.162 0.000 1.908 81 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 81 A C 2.601 180.237 177.584 0.086 0.000 1.181 81 A CA 1.828 53.938 52.037 0.121 0.000 0.627 81 A CB -0.921 18.171 19.000 0.153 0.000 0.818 81 A HN 0.343 nan 8.150 nan 0.000 0.445 82 V N -0.155 119.814 119.914 0.092 0.000 2.626 82 V HA -0.232 3.887 4.120 -0.001 0.000 0.252 82 V C 2.470 178.672 176.094 0.180 0.000 1.067 82 V CA 1.790 64.149 62.300 0.098 0.000 1.081 82 V CB -0.688 31.131 31.823 -0.007 0.000 0.686 82 V HN 0.550 nan 8.190 nan 0.000 0.468 83 M N -0.980 118.681 119.600 0.102 0.000 2.460 83 M HA -0.075 4.405 4.480 -0.001 0.000 0.263 83 M C 1.908 178.228 176.300 0.034 0.000 1.071 83 M CA 1.117 56.492 55.300 0.125 0.000 1.096 83 M CB -0.216 32.399 32.600 0.025 0.000 1.408 83 M HN 0.298 nan 8.290 nan 0.000 0.463 84 M N -0.899 118.687 119.600 -0.023 0.000 2.476 84 M HA -0.033 4.447 4.480 -0.001 0.000 0.262 84 M C 1.619 177.926 176.300 0.011 0.000 1.079 84 M CA 1.217 56.494 55.300 -0.038 0.000 1.104 84 M CB -1.379 31.206 32.600 -0.026 0.000 1.409 84 M HN 0.123 nan 8.290 nan 0.000 0.467 85 T N -0.266 114.345 114.554 0.096 0.000 3.088 85 T HA -0.043 4.306 4.350 -0.001 0.000 0.259 85 T C 1.642 176.212 174.700 -0.217 0.000 1.122 85 T CA 0.463 62.610 62.100 0.079 0.000 1.095 85 T CB 0.113 69.159 68.868 0.296 0.000 0.930 85 T HN 0.464 nan 8.240 nan 0.000 0.508 86 E N 1.579 121.565 120.200 -0.357 0.000 2.033 86 E HA -0.164 4.185 4.350 -0.001 0.000 0.199 86 E C -0.837 175.456 176.600 -0.512 0.000 1.011 86 E CA 1.420 57.343 56.400 -0.795 0.000 0.815 86 E CB -0.583 28.892 29.700 -0.375 0.000 0.755 86 E HN 0.311 nan 8.360 nan 0.000 0.451 87 P HA -0.134 nan 4.420 nan 0.000 0.220 87 P C 0.912 178.099 177.300 -0.188 0.000 1.144 87 P CA 1.346 64.333 63.100 -0.189 0.000 0.800 87 P CB 0.026 31.659 31.700 -0.113 0.000 0.772 88 I N -3.061 117.383 120.570 -0.210 0.000 3.526 88 I HA 0.019 4.188 4.170 -0.001 0.000 0.294 88 I C 1.883 177.857 176.117 -0.239 0.000 1.229 88 I CA 0.495 61.693 61.300 -0.171 0.000 1.408 88 I CB 0.051 37.991 38.000 -0.100 0.000 1.127 88 I HN -0.123 nan 8.210 nan 0.000 0.439 89 L N 0.088 121.096 121.223 -0.359 0.000 2.388 89 L HA 0.147 4.487 4.340 -0.001 0.000 0.209 89 L C 1.059 177.667 176.870 -0.437 0.000 1.061 89 L CA 0.140 54.738 54.840 -0.404 0.000 0.834 89 L CB 0.197 42.135 42.059 -0.202 0.000 1.029 89 L HN 0.120 nan 8.230 nan 0.000 0.473 90 E N 0.888 120.696 120.200 -0.653 0.000 2.498 90 E HA 0.171 4.521 4.350 -0.001 0.000 0.252 90 E C 0.545 177.021 176.600 -0.208 0.000 1.025 90 E CA 0.861 57.023 56.400 -0.397 0.000 0.938 90 E CB 0.139 29.566 29.700 -0.455 0.000 0.947 90 E HN 0.361 nan 8.360 nan 0.000 0.478 91 G N 4.094 112.829 108.800 -0.109 0.000 2.145 91 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.145 91 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.145 91 G C -0.402 174.454 174.900 -0.073 0.000 1.017 91 G CA -0.257 44.799 45.100 -0.074 0.000 0.682 91 G HN 0.457 nan 8.290 nan 0.000 0.504 92 L N 0.763 121.929 121.223 -0.096 0.000 2.408 92 L HA 0.745 5.084 4.340 -0.001 0.000 0.268 92 L C 0.236 177.136 176.870 0.051 0.000 0.986 92 L CA -1.021 53.770 54.840 -0.083 0.000 0.820 92 L CB 2.268 44.090 42.059 -0.395 0.000 1.303 92 L HN 0.146 nan 8.230 nan 0.000 0.411 93 S N 1.164 116.956 115.700 0.152 0.000 2.430 93 S HA 0.847 5.317 4.470 -0.001 0.000 0.289 93 S C 0.015 174.755 174.600 0.233 0.000 1.143 93 S CA 0.313 58.607 58.200 0.158 0.000 1.067 93 S CB 0.577 63.828 63.200 0.086 0.000 0.964 93 S HN 0.910 nan 8.310 nan 0.000 0.485 94 G N 3.477 112.380 108.800 0.173 0.000 2.360 94 G HA2 0.270 4.229 3.960 -0.001 0.000 0.276 94 G HA3 0.270 4.229 3.960 -0.001 0.000 0.276 94 G C -2.068 172.760 174.900 -0.120 0.000 1.256 94 G CA -0.783 44.251 45.100 -0.110 0.000 0.890 94 G HN 0.671 nan 8.290 nan 0.000 0.486 95 H N 0.452 119.629 119.070 0.178 0.000 2.708 95 H HA 0.564 5.119 4.556 -0.001 0.000 0.320 95 H C -0.771 174.633 175.328 0.127 0.000 0.991 95 H CA -0.415 55.685 56.048 0.086 0.000 1.243 95 H CB 1.138 30.867 29.762 -0.055 0.000 1.446 95 H HN 0.357 nan 8.280 nan 0.000 0.502 96 T N 4.640 119.366 114.554 0.287 0.000 2.738 96 T HA 0.202 4.551 4.350 -0.001 0.000 0.298 96 T C 0.739 175.545 174.700 0.176 0.000 0.962 96 T CA -0.550 61.722 62.100 0.287 0.000 0.972 96 T CB 0.554 69.607 68.868 0.308 0.000 0.928 96 T HN 0.346 nan 8.240 nan 0.000 0.474 97 L N 5.286 126.585 121.223 0.126 0.000 2.319 97 L HA 0.503 4.842 4.340 -0.001 0.000 0.280 97 L C -0.668 176.282 176.870 0.134 0.000 1.099 97 L CA -0.393 54.489 54.840 0.070 0.000 0.828 97 L CB 0.536 42.609 42.059 0.023 0.000 1.150 97 L HN 0.333 nan 8.230 nan 0.000 0.442 98 V N 7.583 127.596 119.914 0.165 0.000 2.311 98 V HA 0.409 4.528 4.120 -0.001 0.000 0.275 98 V C -0.004 176.202 176.094 0.186 0.000 1.022 98 V CA -0.290 62.154 62.300 0.241 0.000 0.830 98 V CB 1.043 33.114 31.823 0.414 0.000 1.012 98 V HN 0.642 nan 8.190 nan 0.000 0.452 99 I N 3.607 124.259 120.570 0.138 0.000 2.608 99 I HA 0.838 5.007 4.170 -0.001 0.000 0.295 99 I C 0.375 176.558 176.117 0.110 0.000 1.049 99 I CA -0.596 60.758 61.300 0.089 0.000 1.063 99 I CB 1.984 40.017 38.000 0.055 0.000 1.248 99 I HN 0.644 nan 8.210 nan 0.000 0.424 100 A N 4.071 126.945 122.820 0.090 0.000 2.304 100 A HA 0.539 4.858 4.320 -0.001 0.000 0.271 100 A C 0.927 178.567 177.584 0.094 0.000 1.091 100 A CA 0.039 52.136 52.037 0.099 0.000 0.812 100 A CB 0.756 19.806 19.000 0.084 0.000 1.056 100 A HN 0.959 nan 8.150 nan 0.000 0.489 101 G N -0.332 108.533 108.800 0.107 0.000 2.985 101 G HA2 0.136 4.096 3.960 -0.001 0.000 0.209 101 G HA3 0.136 4.096 3.960 -0.001 0.000 0.209 101 G C 0.172 175.132 174.900 0.100 0.000 1.165 101 G CA 0.820 45.989 45.100 0.115 0.000 0.776 101 G HN 0.800 nan 8.290 nan 0.000 0.541 102 D N 0.175 120.620 120.400 0.076 0.000 2.491 102 D HA 0.034 4.673 4.640 -0.001 0.000 0.228 102 D C 0.671 176.988 176.300 0.028 0.000 1.183 102 D CA -0.225 53.809 54.000 0.057 0.000 0.827 102 D CB -0.359 40.470 40.800 0.048 0.000 0.989 102 D HN 0.115 nan 8.370 nan 0.000 0.494 103 T N -2.300 112.270 114.554 0.027 0.000 3.410 103 T HA 0.379 4.729 4.350 -0.001 0.000 0.328 103 T C -2.307 172.391 174.700 -0.002 0.000 1.567 103 T CA -1.504 60.592 62.100 -0.008 0.000 1.626 103 T CB 1.591 70.445 68.868 -0.023 0.000 0.939 103 T HN -0.278 nan 8.240 nan 0.000 0.656 104 P HA 0.050 nan 4.420 nan 0.000 0.220 104 P C 1.386 178.636 177.300 -0.083 0.000 1.148 104 P CA 0.531 63.611 63.100 -0.033 0.000 0.803 104 P CB 0.052 31.678 31.700 -0.124 0.000 0.782 105 L N -1.637 119.530 121.223 -0.093 0.000 2.313 105 L HA 0.058 4.397 4.340 -0.001 0.000 0.214 105 L C 1.177 178.006 176.870 -0.068 0.000 1.119 105 L CA 0.036 54.818 54.840 -0.097 0.000 0.809 105 L CB -0.774 41.218 42.059 -0.112 0.000 0.933 105 L HN -0.086 nan 8.230 nan 0.000 0.449 106 I N 1.636 122.173 120.570 -0.055 0.000 2.741 106 I HA -0.053 4.117 4.170 -0.001 0.000 0.288 106 I C 1.000 177.104 176.117 -0.022 0.000 1.192 106 I CA 0.188 61.462 61.300 -0.044 0.000 1.426 106 I CB 0.406 38.382 38.000 -0.040 0.000 1.367 106 I HN 0.207 nan 8.210 nan 0.000 0.563 107 T N 2.073 116.612 114.554 -0.025 0.000 2.902 107 T HA 0.328 4.677 4.350 -0.001 0.000 0.280 107 T C 1.312 176.001 174.700 -0.019 0.000 0.992 107 T CA -0.317 61.773 62.100 -0.017 0.000 1.015 107 T CB 1.762 70.617 68.868 -0.022 0.000 1.044 107 T HN 0.704 nan 8.240 nan 0.000 0.520 108 G N -0.230 108.557 108.800 -0.022 0.000 2.418 108 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.217 108 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.217 108 G C 1.214 176.092 174.900 -0.036 0.000 1.158 108 G CA 0.852 45.931 45.100 -0.035 0.000 0.771 108 G HN 0.932 nan 8.290 nan 0.000 0.545 109 E N 0.368 120.552 120.200 -0.027 0.000 2.118 109 E HA -0.126 4.223 4.350 -0.001 0.000 0.195 109 E C 2.527 179.114 176.600 -0.022 0.000 0.992 109 E CA 1.198 57.583 56.400 -0.024 0.000 0.804 109 E CB -0.106 29.586 29.700 -0.014 0.000 0.741 109 E HN 0.393 nan 8.360 nan 0.000 0.458 110 S N 0.331 116.027 115.700 -0.006 0.000 2.402 110 S HA -0.044 4.425 4.470 -0.001 0.000 0.229 110 S C 1.863 176.446 174.600 -0.028 0.000 1.021 110 S CA 0.629 58.845 58.200 0.027 0.000 0.974 110 S CB -0.047 63.176 63.200 0.037 0.000 0.800 110 S HN 0.291 nan 8.310 nan 0.000 0.484 111 L N 0.897 122.092 121.223 -0.047 0.000 2.179 111 L HA -0.014 4.325 4.340 -0.001 0.000 0.208 111 L C 2.307 179.119 176.870 -0.096 0.000 1.096 111 L CA 0.971 55.771 54.840 -0.067 0.000 0.779 111 L CB -0.425 41.601 42.059 -0.054 0.000 0.922 111 L HN 0.231 nan 8.230 nan 0.000 0.443 112 K N 0.186 120.533 120.400 -0.088 0.000 2.026 112 K HA -0.132 4.187 4.320 -0.001 0.000 0.208 112 K C 1.879 178.394 176.600 -0.141 0.000 1.048 112 K CA 1.367 57.600 56.287 -0.091 0.000 0.929 112 K CB -0.204 32.255 32.500 -0.068 0.000 0.713 112 K HN 0.225 nan 8.250 nan 0.000 0.439 113 N N 1.157 119.736 118.700 -0.202 0.000 2.223 113 N HA -0.153 4.586 4.740 -0.001 0.000 0.185 113 N C 1.658 176.768 175.510 -0.667 0.000 1.016 113 N CA 0.799 53.602 53.050 -0.412 0.000 0.863 113 N CB -0.199 38.023 38.487 -0.443 0.000 0.983 113 N HN 0.053 nan 8.380 nan 0.000 0.429 114 L N 0.647 121.589 121.223 -0.467 0.000 2.109 114 L HA 0.037 4.376 4.340 -0.001 0.000 0.207 114 L C 1.801 178.601 176.870 -0.116 0.000 1.086 114 L CA 1.147 55.801 54.840 -0.310 0.000 0.760 114 L CB -0.337 41.639 42.059 -0.137 0.000 0.910 114 L HN 0.042 nan 8.230 nan 0.000 0.437 115 I N -0.402 120.102 120.570 -0.110 0.000 2.286 115 I HA -0.198 3.971 4.170 -0.001 0.000 0.245 115 I C 1.939 178.029 176.117 -0.044 0.000 1.104 115 I CA 1.071 62.331 61.300 -0.067 0.000 1.397 115 I CB -1.200 36.767 38.000 -0.054 0.000 1.072 115 I HN 0.260 nan 8.210 nan 0.000 0.417 116 D N 0.311 120.676 120.400 -0.059 0.000 2.178 116 D HA -0.199 4.440 4.640 -0.001 0.000 0.202 116 D C 2.010 178.316 176.300 0.009 0.000 0.974 116 D CA 0.948 54.923 54.000 -0.041 0.000 0.841 116 D CB -0.311 40.457 40.800 -0.053 0.000 0.953 116 D HN 0.255 nan 8.370 nan 0.000 0.478 117 F N 0.204 120.084 119.950 -0.116 0.000 2.163 117 F HA -0.107 4.419 4.527 -0.001 0.000 0.297 117 F C 2.374 178.224 175.800 0.083 0.000 1.094 117 F CA 1.326 59.337 58.000 0.019 0.000 1.290 117 F CB -0.234 38.739 39.000 -0.044 0.000 1.017 117 F HN 0.002 nan 8.300 nan 0.000 0.483 118 H N 0.003 119.127 119.070 0.090 0.000 2.422 118 H HA -0.143 4.413 4.556 -0.001 0.000 0.298 118 H C 2.000 177.207 175.328 -0.201 0.000 1.098 118 H CA 2.523 58.544 56.048 -0.045 0.000 1.315 118 H CB -0.198 29.502 29.762 -0.103 0.000 1.382 118 H HN 0.374 nan 8.280 nan 0.000 0.523 119 I N -0.348 120.131 120.570 -0.152 0.000 2.296 119 I HA -0.215 3.955 4.170 -0.001 0.000 0.242 119 I C 2.341 178.340 176.117 -0.196 0.000 1.087 119 I CA 0.871 62.050 61.300 -0.202 0.000 1.393 119 I CB -0.395 37.526 38.000 -0.133 0.000 1.093 119 I HN 0.352 nan 8.210 nan 0.000 0.421 120 N N 0.277 118.849 118.700 -0.212 0.000 2.192 120 N HA -0.215 4.524 4.740 -0.001 0.000 0.188 120 N C 1.198 176.408 175.510 -0.500 0.000 1.013 120 N CA 1.456 54.312 53.050 -0.322 0.000 0.863 120 N CB -0.081 38.202 38.487 -0.339 0.000 0.990 120 N HN 0.475 nan 8.380 nan 0.000 0.430 121 H N -0.133 118.696 119.070 -0.402 0.000 2.549 121 H HA 0.236 4.791 4.556 -0.001 0.000 0.279 121 H C -0.136 175.009 175.328 -0.304 0.000 1.018 121 H CA -0.081 55.728 56.048 -0.398 0.000 1.175 121 H CB 0.515 29.904 29.762 -0.622 0.000 1.485 121 H HN -0.022 nan 8.280 nan 0.000 0.543 122 K N 1.107 121.377 120.400 -0.217 0.000 3.012 122 K HA -0.207 4.113 4.320 -0.001 0.000 0.259 122 K C -0.636 175.815 176.600 -0.249 0.000 0.989 122 K CA 0.148 56.310 56.287 -0.208 0.000 0.728 122 K CB -1.236 31.186 32.500 -0.130 0.000 1.260 122 K HN 0.403 nan 8.250 nan 0.000 0.480 123 N N -0.000 118.467 118.700 -0.387 0.000 2.444 123 N HA 0.069 4.809 4.740 -0.001 0.000 0.255 123 N C 1.212 176.479 175.510 -0.405 0.000 1.255 123 N CA -0.221 52.621 53.050 -0.347 0.000 0.933 123 N CB 1.062 39.391 38.487 -0.263 0.000 1.143 123 N HN -0.108 nan 8.380 nan 0.000 0.453 124 V N -0.367 119.421 119.914 -0.210 0.000 3.471 124 V HA 0.263 4.382 4.120 -0.001 0.000 0.258 124 V C 0.375 176.514 176.094 0.075 0.000 1.192 124 V CA 0.656 62.839 62.300 -0.194 0.000 1.116 124 V CB -0.270 31.239 31.823 -0.522 0.000 0.792 124 V HN 0.800 nan 8.190 nan 0.000 0.459 125 A N -0.569 122.371 122.820 0.201 0.000 2.500 125 A HA 0.615 4.935 4.320 -0.001 0.000 0.288 125 A C -0.411 177.343 177.584 0.283 0.000 1.045 125 A CA -0.261 52.033 52.037 0.428 0.000 0.830 125 A CB 1.027 20.494 19.000 0.778 0.000 1.337 125 A HN 0.061 nan 8.150 nan 0.000 0.400 126 T N 3.081 117.802 114.554 0.278 0.000 2.794 126 T HA 0.608 4.958 4.350 -0.001 0.000 0.280 126 T C -0.125 174.643 174.700 0.112 0.000 0.987 126 T CA -0.058 62.196 62.100 0.257 0.000 0.993 126 T CB 0.668 69.789 68.868 0.422 0.000 0.939 126 T HN 0.462 nan 8.240 nan 0.000 0.449 127 I N 3.443 124.087 120.570 0.124 0.000 2.354 127 I HA 0.320 4.489 4.170 -0.001 0.000 0.292 127 I C -0.368 175.724 176.117 -0.042 0.000 0.989 127 I CA -1.022 60.328 61.300 0.083 0.000 1.188 127 I CB 1.532 39.633 38.000 0.168 0.000 1.342 127 I HN 0.350 nan 8.210 nan 0.000 0.457 128 L N 8.117 129.258 121.223 -0.136 0.000 2.385 128 L HA 0.310 4.650 4.340 -0.001 0.000 0.281 128 L C 0.509 177.284 176.870 -0.158 0.000 1.106 128 L CA 0.622 55.388 54.840 -0.125 0.000 0.856 128 L CB 0.288 42.270 42.059 -0.129 0.000 1.186 128 L HN 0.793 nan 8.230 nan 0.000 0.453 129 T N 2.265 116.728 114.554 -0.153 0.000 2.841 129 T HA 1.000 5.350 4.350 -0.001 0.000 0.276 129 T C -0.373 174.238 174.700 -0.148 0.000 1.003 129 T CA -0.319 61.700 62.100 -0.135 0.000 0.995 129 T CB 1.767 70.566 68.868 -0.114 0.000 1.260 129 T HN 0.988 nan 8.240 nan 0.000 0.581 130 A N 0.071 122.828 122.820 -0.104 0.000 2.597 130 A HA 0.652 4.971 4.320 -0.001 0.000 0.292 130 A C -1.471 176.085 177.584 -0.047 0.000 1.057 130 A CA -0.971 51.032 52.037 -0.056 0.000 0.674 130 A CB 1.033 20.055 19.000 0.036 0.000 1.278 130 A HN 0.853 nan 8.150 nan 0.000 0.416 131 E N 0.236 120.398 120.200 -0.063 0.000 2.179 131 E HA 0.645 4.994 4.350 -0.001 0.000 0.275 131 E C -0.806 175.606 176.600 -0.313 0.000 0.945 131 E CA -0.556 55.750 56.400 -0.157 0.000 0.792 131 E CB 2.193 31.809 29.700 -0.140 0.000 1.125 131 E HN 0.599 nan 8.360 nan 0.000 0.397 132 T N 0.792 115.076 114.554 -0.450 0.000 2.923 132 T HA 0.142 4.492 4.350 -0.001 0.000 0.311 132 T C -0.670 173.793 174.700 -0.394 0.000 1.183 132 T CA -0.619 61.067 62.100 -0.689 0.000 1.020 132 T CB 1.509 69.596 68.868 -1.302 0.000 1.165 132 T HN 0.349 nan 8.240 nan 0.000 0.482 133 D N 2.054 122.261 120.400 -0.322 0.000 2.328 133 D HA 0.220 4.859 4.640 -0.001 0.000 0.226 133 D C 0.133 176.347 176.300 -0.144 0.000 1.066 133 D CA 0.229 54.115 54.000 -0.190 0.000 0.861 133 D CB 0.222 40.935 40.800 -0.145 0.000 0.912 133 D HN 0.352 nan 8.370 nan 0.000 0.521 134 N N -0.017 118.581 118.700 -0.169 0.000 2.726 134 N HA 0.160 4.899 4.740 -0.001 0.000 0.253 134 N C -2.486 173.030 175.510 0.010 0.000 1.530 134 N CA -1.140 51.880 53.050 -0.050 0.000 0.772 134 N CB 1.243 39.715 38.487 -0.024 0.000 1.220 134 N HN -0.113 nan 8.380 nan 0.000 0.508 135 P HA 0.111 nan 4.420 nan 0.000 0.253 135 P C -0.058 177.429 177.300 0.313 0.000 1.281 135 P CA -0.156 62.998 63.100 0.090 0.000 0.792 135 P CB -0.526 31.168 31.700 -0.010 0.000 1.193 136 F N 1.565 121.610 119.950 0.157 0.000 2.571 136 F HA 0.309 4.835 4.527 -0.001 0.000 0.390 136 F C 1.573 177.424 175.800 0.085 0.000 1.043 136 F CA 1.684 59.746 58.000 0.103 0.000 1.164 136 F CB -0.236 38.793 39.000 0.048 0.000 1.049 136 F HN 0.278 nan 8.300 nan 0.000 0.552 137 G N 4.078 112.489 108.800 -0.649 0.000 2.397 137 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.211 137 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.211 137 G C -0.061 174.614 174.900 -0.375 0.000 1.077 137 G CA -0.081 44.618 45.100 -0.668 0.000 0.649 137 G HN 0.658 nan 8.290 nan 0.000 0.511 138 Y N 1.621 121.835 120.300 -0.144 0.000 2.314 138 Y HA 0.501 5.050 4.550 -0.001 0.000 0.334 138 Y C 1.436 177.290 175.900 -0.076 0.000 1.266 138 Y CA 0.054 58.109 58.100 -0.077 0.000 1.391 138 Y CB 0.442 38.893 38.460 -0.015 0.000 1.306 138 Y HN 0.390 nan 8.280 nan 0.000 0.558 139 G N 1.391 110.261 108.800 0.117 0.000 2.390 139 G HA2 0.490 4.449 3.960 -0.001 0.000 0.270 139 G HA3 0.490 4.449 3.960 -0.001 0.000 0.270 139 G C -0.632 174.301 174.900 0.055 0.000 1.211 139 G CA -0.909 44.221 45.100 0.050 0.000 0.842 139 G HN 0.579 nan 8.290 nan 0.000 0.519 140 R N 1.480 121.992 120.500 0.022 0.000 2.346 140 R HA 0.272 4.611 4.340 -0.001 0.000 0.311 140 R C -0.094 176.206 176.300 0.000 0.000 0.983 140 R CA -0.907 55.193 56.100 -0.001 0.000 0.880 140 R CB 1.738 32.020 30.300 -0.029 0.000 1.100 140 R HN 0.309 nan 8.270 nan 0.000 0.453 141 I N 4.181 124.747 120.570 -0.007 0.000 2.406 141 I HA 0.054 4.224 4.170 -0.001 0.000 0.293 141 I C 0.165 176.279 176.117 -0.005 0.000 1.101 141 I CA -0.122 61.181 61.300 0.005 0.000 1.334 141 I CB 0.224 38.222 38.000 -0.003 0.000 1.421 141 I HN 0.302 nan 8.210 nan 0.000 0.513 142 V N 8.538 128.460 119.914 0.014 0.000 2.432 142 V HA 0.381 4.500 4.120 -0.001 0.000 0.275 142 V C 0.799 176.914 176.094 0.035 0.000 1.043 142 V CA -0.488 61.824 62.300 0.019 0.000 0.925 142 V CB 1.030 32.874 31.823 0.035 0.000 0.985 142 V HN 0.720 nan 8.190 nan 0.000 0.466 143 R N 3.202 123.722 120.500 0.034 0.000 3.228 143 R HA 0.642 4.981 4.340 -0.001 0.000 0.229 143 R C -0.714 175.619 176.300 0.056 0.000 1.583 143 R CA -0.858 55.266 56.100 0.041 0.000 1.035 143 R CB 0.981 31.298 30.300 0.028 0.000 1.696 143 R HN 0.830 nan 8.270 nan 0.000 0.523 144 N N -1.082 117.648 118.700 0.051 0.000 3.343 144 N HA 0.018 4.758 4.740 -0.001 0.000 0.330 144 N C -0.199 175.339 175.510 0.048 0.000 1.560 144 N CA -0.633 52.450 53.050 0.055 0.000 0.752 144 N CB -0.243 38.272 38.487 0.047 0.000 1.863 144 N HN 0.518 nan 8.380 nan 0.000 0.636 145 D N -1.525 118.900 120.400 0.042 0.000 2.310 145 D HA -0.174 4.465 4.640 -0.001 0.000 0.212 145 D C 0.131 176.448 176.300 0.029 0.000 0.965 145 D CA 0.864 54.885 54.000 0.035 0.000 0.879 145 D CB -0.258 40.559 40.800 0.027 0.000 0.921 145 D HN 0.654 nan 8.370 nan 0.000 0.510 146 N N -0.201 118.517 118.700 0.029 0.000 2.203 146 N HA 0.172 4.912 4.740 -0.001 0.000 0.207 146 N C 0.409 175.937 175.510 0.030 0.000 1.130 146 N CA 0.561 53.627 53.050 0.027 0.000 0.861 146 N CB 0.425 38.928 38.487 0.025 0.000 1.005 146 N HN 0.137 nan 8.380 nan 0.000 0.507 147 A N 0.651 123.490 122.820 0.031 0.000 2.979 147 A HA -0.212 4.108 4.320 -0.001 0.000 0.260 147 A C -0.153 177.450 177.584 0.032 0.000 1.282 147 A CA 0.958 53.013 52.037 0.029 0.000 0.971 147 A CB -2.077 16.940 19.000 0.027 0.000 1.124 147 A HN 0.598 nan 8.150 nan 0.000 0.826 148 E N -0.112 120.109 120.200 0.034 0.000 2.338 148 E HA 0.394 4.743 4.350 -0.001 0.000 0.272 148 E C 0.018 176.644 176.600 0.045 0.000 1.029 148 E CA -0.369 56.054 56.400 0.038 0.000 0.872 148 E CB 1.259 30.980 29.700 0.036 0.000 1.015 148 E HN 0.312 nan 8.360 nan 0.000 0.417 149 V N 5.546 125.492 119.914 0.053 0.000 2.415 149 V HA -0.038 4.081 4.120 -0.001 0.000 0.267 149 V C 1.166 177.303 176.094 0.071 0.000 1.042 149 V CA 0.351 62.688 62.300 0.062 0.000 1.000 149 V CB -0.029 31.840 31.823 0.078 0.000 1.015 149 V HN 0.684 nan 8.190 nan 0.000 0.478 150 L N 4.994 126.256 121.223 0.065 0.000 2.121 150 L HA 0.278 4.617 4.340 -0.001 0.000 0.200 150 L C 1.055 177.970 176.870 0.075 0.000 1.077 150 L CA 0.882 55.763 54.840 0.067 0.000 0.766 150 L CB -0.129 41.965 42.059 0.059 0.000 0.931 150 L HN 0.744 nan 8.230 nan 0.000 0.452 151 R N -0.675 119.866 120.500 0.068 0.000 2.728 151 R HA 0.475 4.814 4.340 -0.001 0.000 0.274 151 R C -1.576 174.760 176.300 0.060 0.000 1.032 151 R CA -0.827 55.314 56.100 0.068 0.000 0.866 151 R CB 1.327 31.660 30.300 0.056 0.000 1.263 151 R HN -0.120 nan 8.270 nan 0.000 0.475 152 I N 1.708 122.317 120.570 0.064 0.000 2.353 152 I HA 0.376 4.545 4.170 -0.001 0.000 0.293 152 I C -0.529 175.608 176.117 0.033 0.000 0.992 152 I CA -1.151 60.184 61.300 0.058 0.000 1.268 152 I CB 1.973 40.026 38.000 0.088 0.000 1.387 152 I HN 0.257 nan 8.210 nan 0.000 0.478 153 V N 6.269 126.195 119.914 0.020 0.000 2.483 153 V HA 0.316 4.436 4.120 -0.001 0.000 0.297 153 V C 0.083 176.172 176.094 -0.009 0.000 1.027 153 V CA -0.814 61.489 62.300 0.005 0.000 0.855 153 V CB 1.483 33.312 31.823 0.009 0.000 0.995 153 V HN 0.692 nan 8.190 nan 0.000 0.424 154 E N 2.441 122.623 120.200 -0.029 0.000 2.359 154 E HA 0.291 4.640 4.350 -0.001 0.000 0.255 154 E C -0.135 176.434 176.600 -0.051 0.000 1.191 154 E CA -0.662 55.706 56.400 -0.052 0.000 0.952 154 E CB 0.947 30.590 29.700 -0.095 0.000 1.152 154 E HN 0.581 nan 8.360 nan 0.000 0.496 155 Q N 0.813 120.566 119.800 -0.079 0.000 2.639 155 Q HA 0.032 4.371 4.340 -0.001 0.000 0.301 155 Q C 0.211 176.181 176.000 -0.050 0.000 1.029 155 Q CA 0.489 56.251 55.803 -0.068 0.000 0.936 155 Q CB 0.077 28.739 28.738 -0.127 0.000 1.354 155 Q HN 0.296 nan 8.270 nan 0.000 0.417 156 K N -0.618 119.760 120.400 -0.036 0.000 2.598 156 K HA 0.084 4.403 4.320 -0.001 0.000 0.214 156 K C 0.267 176.864 176.600 -0.004 0.000 1.575 156 K CA 0.184 56.459 56.287 -0.021 0.000 1.042 156 K CB 1.047 33.528 32.500 -0.031 0.000 1.338 156 K HN 0.117 nan 8.250 nan 0.000 0.590 157 D N 0.853 121.250 120.400 -0.005 0.000 2.500 157 D HA 0.110 4.749 4.640 -0.001 0.000 0.217 157 D C -0.125 176.184 176.300 0.015 0.000 1.159 157 D CA 0.055 54.059 54.000 0.008 0.000 0.828 157 D CB 1.178 41.982 40.800 0.007 0.000 1.039 157 D HN 0.040 nan 8.370 nan 0.000 0.512 158 A N 2.175 125.001 122.820 0.010 0.000 2.444 158 A HA 0.361 4.680 4.320 -0.001 0.000 0.273 158 A C 0.993 178.595 177.584 0.031 0.000 1.136 158 A CA -0.107 51.939 52.037 0.016 0.000 0.799 158 A CB -0.049 18.954 19.000 0.005 0.000 1.081 158 A HN 0.120 nan 8.150 nan 0.000 0.509 159 T N 0.153 114.735 114.554 0.047 0.000 2.816 159 T HA 0.215 4.565 4.350 -0.001 0.000 0.282 159 T C 0.528 175.271 174.700 0.072 0.000 0.993 159 T CA -0.123 62.017 62.100 0.067 0.000 0.994 159 T CB 0.625 69.552 68.868 0.098 0.000 1.025 159 T HN 0.513 nan 8.240 nan 0.000 0.529 160 D N -0.279 120.173 120.400 0.087 0.000 2.149 160 D HA -0.077 4.562 4.640 -0.001 0.000 0.198 160 D C 1.393 177.759 176.300 0.111 0.000 0.990 160 D CA 1.017 55.069 54.000 0.085 0.000 0.839 160 D CB -0.323 40.527 40.800 0.083 0.000 0.948 160 D HN 0.584 nan 8.370 nan 0.000 0.460 161 F N 1.830 121.787 119.950 0.012 0.000 2.234 161 F HA -0.064 4.462 4.527 -0.001 0.000 0.299 161 F C 1.975 177.782 175.800 0.011 0.000 1.087 161 F CA 1.135 59.141 58.000 0.010 0.000 1.340 161 F CB 0.023 39.027 39.000 0.008 0.000 1.031 161 F HN -0.102 nan 8.300 nan 0.000 0.500 162 E N -0.158 119.975 120.200 -0.111 0.000 2.230 162 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 162 E C 1.725 178.240 176.600 -0.142 0.000 0.987 162 E CA 0.474 56.762 56.400 -0.186 0.000 0.841 162 E CB -0.114 29.563 29.700 -0.037 0.000 0.783 162 E HN 0.400 nan 8.360 nan 0.000 0.481 163 K N 0.857 121.214 120.400 -0.071 0.000 2.574 163 K HA -0.133 4.186 4.320 -0.001 0.000 0.193 163 K C 1.583 178.153 176.600 -0.049 0.000 1.035 163 K CA 0.750 57.020 56.287 -0.028 0.000 0.982 163 K CB 0.116 32.628 32.500 0.020 0.000 0.795 163 K HN 0.114 nan 8.250 nan 0.000 0.491 164 Q N -0.165 119.560 119.800 -0.126 0.000 2.281 164 Q HA 0.170 4.510 4.340 -0.001 0.000 0.215 164 Q C 0.310 176.217 176.000 -0.156 0.000 0.867 164 Q CA 0.046 55.775 55.803 -0.124 0.000 0.940 164 Q CB -0.000 28.665 28.738 -0.121 0.000 1.111 164 Q HN 0.106 nan 8.270 nan 0.000 0.513 165 I N 2.383 122.837 120.570 -0.193 0.000 2.668 165 I HA -0.039 4.130 4.170 -0.001 0.000 0.285 165 I C 0.764 176.807 176.117 -0.123 0.000 1.168 165 I CA -0.136 61.061 61.300 -0.173 0.000 1.424 165 I CB 0.715 38.614 38.000 -0.169 0.000 1.377 165 I HN 0.140 nan 8.210 nan 0.000 0.560 166 K N 4.536 124.860 120.400 -0.126 0.000 2.262 166 K HA 0.014 4.333 4.320 -0.001 0.000 0.200 166 K C 0.602 177.113 176.600 -0.149 0.000 1.049 166 K CA 0.470 56.674 56.287 -0.140 0.000 0.979 166 K CB -0.067 32.348 32.500 -0.142 0.000 0.773 166 K HN 0.569 nan 8.250 nan 0.000 0.474 167 E N 1.941 122.069 120.200 -0.120 0.000 2.217 167 E HA 0.103 4.453 4.350 -0.001 0.000 0.279 167 E C -0.479 176.067 176.600 -0.090 0.000 1.068 167 E CA -0.322 56.013 56.400 -0.108 0.000 0.882 167 E CB 0.151 29.797 29.700 -0.090 0.000 1.039 167 E HN 0.065 nan 8.360 nan 0.000 0.418 168 I N 1.396 121.906 120.570 -0.100 0.000 3.100 168 I HA 0.383 4.552 4.170 -0.001 0.000 0.312 168 I C -0.226 175.868 176.117 -0.039 0.000 1.063 168 I CA -0.917 60.342 61.300 -0.067 0.000 1.031 168 I CB 1.437 39.347 38.000 -0.150 0.000 1.243 168 I HN 0.334 nan 8.210 nan 0.000 0.483 169 N N 0.860 119.571 118.700 0.019 0.000 2.434 169 N HA 0.127 4.866 4.740 -0.001 0.000 0.272 169 N C 0.575 176.085 175.510 -0.000 0.000 1.040 169 N CA 0.177 53.233 53.050 0.010 0.000 0.956 169 N CB 1.208 39.741 38.487 0.076 0.000 1.108 169 N HN 0.948 nan 8.380 nan 0.000 0.481 170 T N 0.622 115.116 114.554 -0.100 0.000 3.088 170 T HA 0.172 4.521 4.350 -0.001 0.000 0.259 170 T C 1.319 175.935 174.700 -0.141 0.000 1.122 170 T CA 0.643 62.679 62.100 -0.106 0.000 1.095 170 T CB -0.170 68.605 68.868 -0.155 0.000 0.930 170 T HN 0.763 nan 8.240 nan 0.000 0.508 171 G N 0.558 109.198 108.800 -0.268 0.000 2.136 171 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.242 171 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.242 171 G C 0.061 174.670 174.900 -0.484 0.000 0.989 171 G CA 0.128 45.067 45.100 -0.269 0.000 0.682 171 G HN 0.773 nan 8.290 nan 0.000 0.522 172 T N 0.132 114.242 114.554 -0.739 0.000 2.812 172 T HA 0.704 5.053 4.350 -0.001 0.000 0.282 172 T C -0.762 173.502 174.700 -0.727 0.000 0.990 172 T CA -0.287 61.511 62.100 -0.504 0.000 0.960 172 T CB 1.577 70.303 68.868 -0.238 0.000 0.948 172 T HN 0.341 nan 8.240 nan 0.000 0.438 173 Y N 0.245 120.473 120.300 -0.120 0.000 2.669 173 Y HA 0.767 5.316 4.550 -0.002 0.000 0.335 173 Y C -0.571 175.097 175.900 -0.388 0.000 1.116 173 Y CA -1.465 56.433 58.100 -0.337 0.000 1.081 173 Y CB 1.369 39.411 38.460 -0.696 0.000 1.297 173 Y HN 0.290 nan 8.280 nan 0.000 0.484 174 V N 2.101 121.791 119.914 -0.372 0.000 2.488 174 V HA 0.422 4.542 4.120 -0.001 0.000 0.293 174 V C -1.353 174.460 176.094 -0.468 0.000 1.027 174 V CA -0.809 61.273 62.300 -0.365 0.000 0.862 174 V CB 0.798 32.396 31.823 -0.375 0.000 1.008 174 V HN 0.527 nan 8.190 nan 0.000 0.428 175 F N 1.460 121.422 119.950 0.019 0.000 2.541 175 F HA 0.495 5.021 4.527 -0.001 0.000 0.331 175 F C 0.449 176.344 175.800 0.159 0.000 1.057 175 F CA -1.216 56.872 58.000 0.146 0.000 0.975 175 F CB 1.244 40.323 39.000 0.131 0.000 1.246 175 F HN 0.500 nan 8.300 nan 0.000 0.484 176 D N 1.165 121.850 120.400 0.475 0.000 2.339 176 D HA 0.069 4.708 4.640 -0.001 0.000 0.256 176 D C 1.043 177.510 176.300 0.279 0.000 1.214 176 D CA 0.180 54.403 54.000 0.372 0.000 0.877 176 D CB 0.489 41.435 40.800 0.243 0.000 1.111 176 D HN 0.490 nan 8.370 nan 0.000 0.478 177 N N 3.527 122.389 118.700 0.270 0.000 2.027 177 N HA -0.295 4.444 4.740 -0.001 0.000 0.200 177 N C 1.115 176.759 175.510 0.222 0.000 1.042 177 N CA 1.956 55.145 53.050 0.231 0.000 0.871 177 N CB 0.060 38.676 38.487 0.215 0.000 1.063 177 N HN 0.597 nan 8.380 nan 0.000 0.438 178 E N -0.662 119.648 120.200 0.183 0.000 2.033 178 E HA -0.216 4.133 4.350 -0.001 0.000 0.199 178 E C 2.159 178.855 176.600 0.160 0.000 1.011 178 E CA 1.008 57.504 56.400 0.160 0.000 0.815 178 E CB -0.082 29.683 29.700 0.108 0.000 0.755 178 E HN 0.270 nan 8.360 nan 0.000 0.451 179 R N 0.552 121.139 120.500 0.145 0.000 2.105 179 R HA -0.149 4.190 4.340 -0.001 0.000 0.239 179 R C 2.444 178.861 176.300 0.195 0.000 1.135 179 R CA 0.665 56.869 56.100 0.174 0.000 0.967 179 R CB -0.937 29.441 30.300 0.131 0.000 0.861 179 R HN 0.206 nan 8.270 nan 0.000 0.442 180 L N 0.243 121.534 121.223 0.112 0.000 1.971 180 L HA -0.154 4.185 4.340 -0.001 0.000 0.215 180 L C 1.962 178.648 176.870 -0.307 0.000 1.072 180 L CA 1.869 56.601 54.840 -0.180 0.000 0.758 180 L CB -0.779 41.051 42.059 -0.382 0.000 0.889 180 L HN -0.008 nan 8.230 nan 0.000 0.433 181 F N 0.036 119.967 119.950 -0.032 0.000 2.365 181 F HA -0.071 4.457 4.527 0.001 0.000 0.300 181 F C 2.392 178.162 175.800 -0.051 0.000 1.090 181 F CA 1.165 59.133 58.000 -0.055 0.000 1.408 181 F CB -0.498 38.475 39.000 -0.045 0.000 1.060 181 F HN 0.259 nan 8.300 nan 0.000 0.534 182 E N -0.037 120.235 120.200 0.120 0.000 2.112 182 E HA -0.062 4.288 4.350 -0.001 0.000 0.190 182 E C 2.360 178.961 176.600 0.002 0.000 0.979 182 E CA 0.838 57.278 56.400 0.067 0.000 0.814 182 E CB -0.264 29.483 29.700 0.078 0.000 0.762 182 E HN 0.314 nan 8.360 nan 0.000 0.460 183 A N 0.956 123.754 122.820 -0.038 0.000 2.119 183 A HA -0.052 4.267 4.320 -0.001 0.000 0.217 183 A C 2.041 179.493 177.584 -0.220 0.000 1.153 183 A CA 0.624 52.576 52.037 -0.142 0.000 0.692 183 A CB -0.359 18.485 19.000 -0.259 0.000 0.799 183 A HN 0.123 nan 8.150 nan 0.000 0.458 184 L N -1.045 120.063 121.223 -0.192 0.000 2.240 184 L HA -0.088 4.251 4.340 -0.001 0.000 0.211 184 L C 2.170 178.927 176.870 -0.189 0.000 1.106 184 L CA 1.037 55.748 54.840 -0.214 0.000 0.793 184 L CB -0.228 41.751 42.059 -0.134 0.000 0.927 184 L HN 0.322 nan 8.230 nan 0.000 0.446 185 K N -0.289 120.048 120.400 -0.104 0.000 2.366 185 K HA -0.031 4.289 4.320 -0.001 0.000 0.198 185 K C 1.591 178.125 176.600 -0.110 0.000 1.044 185 K CA 0.517 56.759 56.287 -0.075 0.000 0.973 185 K CB -0.024 32.464 32.500 -0.021 0.000 0.767 185 K HN 0.293 nan 8.250 nan 0.000 0.475 186 N N 1.353 119.968 118.700 -0.141 0.000 2.250 186 N HA -0.031 4.708 4.740 -0.001 0.000 0.181 186 N C 1.278 176.676 175.510 -0.186 0.000 1.017 186 N CA 0.736 53.706 53.050 -0.133 0.000 0.866 186 N CB -0.104 38.311 38.487 -0.120 0.000 0.985 186 N HN 0.293 nan 8.380 nan 0.000 0.429 195 E N 0.363 120.416 120.200 -0.245 0.000 2.383 195 E HA 0.416 4.765 4.350 -0.001 0.000 0.275 195 E C -1.160 175.149 176.600 -0.485 0.000 0.918 195 E CA -1.072 55.101 56.400 -0.378 0.000 0.764 195 E CB 2.151 31.645 29.700 -0.344 0.000 1.252 195 E HN 0.217 nan 8.360 nan 0.000 0.449 196 Y N 0.859 120.907 120.300 -0.419 0.000 2.335 196 Y HA 0.225 4.774 4.550 -0.001 0.000 0.331 196 Y C -0.385 175.285 175.900 -0.384 0.000 1.094 196 Y CA -0.602 57.292 58.100 -0.344 0.000 1.253 196 Y CB 0.051 38.436 38.460 -0.125 0.000 1.203 196 Y HN 0.365 nan 8.280 nan 0.000 0.508 197 Y N 2.664 123.035 120.300 0.117 0.000 2.377 197 Y HA 0.251 4.800 4.550 -0.001 0.000 0.339 197 Y C 0.995 176.874 175.900 -0.034 0.000 1.011 197 Y CA -1.401 56.728 58.100 0.048 0.000 1.093 197 Y CB 1.141 39.619 38.460 0.031 0.000 1.201 197 Y HN 0.496 nan 8.280 nan 0.000 0.455 198 I N 1.655 122.302 120.570 0.129 0.000 2.756 198 I HA -0.192 3.978 4.170 -0.001 0.000 0.262 198 I C 2.011 178.027 176.117 -0.169 0.000 1.225 198 I CA 1.898 63.155 61.300 -0.072 0.000 1.472 198 I CB -0.542 37.446 38.000 -0.021 0.000 1.094 198 I HN 0.837 nan 8.210 nan 0.000 0.454 199 T N -3.213 111.327 114.554 -0.023 0.000 2.951 199 T HA -0.073 4.276 4.350 -0.001 0.000 0.268 199 T C 1.555 176.227 174.700 -0.048 0.000 1.073 199 T CA 1.003 63.087 62.100 -0.027 0.000 1.134 199 T CB -0.488 68.408 68.868 0.047 0.000 0.884 199 T HN 0.248 nan 8.240 nan 0.000 0.479 200 D N 1.225 121.609 120.400 -0.026 0.000 2.310 200 D HA 0.019 4.658 4.640 -0.001 0.000 0.212 200 D C 2.062 178.235 176.300 -0.211 0.000 0.965 200 D CA 0.301 54.261 54.000 -0.067 0.000 0.879 200 D CB -0.184 40.604 40.800 -0.020 0.000 0.921 200 D HN 0.316 nan 8.370 nan 0.000 0.510 201 V N 1.833 121.549 119.914 -0.331 0.000 2.515 201 V HA -0.194 3.925 4.120 -0.001 0.000 0.250 201 V C 2.483 178.167 176.094 -0.683 0.000 1.058 201 V CA 1.075 63.013 62.300 -0.603 0.000 1.064 201 V CB -0.570 30.762 31.823 -0.818 0.000 0.675 201 V HN 0.325 nan 8.190 nan 0.000 0.461 202 I N -0.656 119.727 120.570 -0.311 0.000 2.493 202 I HA 0.026 4.195 4.170 -0.001 0.000 0.254 202 I C 2.257 178.343 176.117 -0.052 0.000 1.160 202 I CA 1.748 63.002 61.300 -0.078 0.000 1.445 202 I CB -0.950 37.101 38.000 0.085 0.000 1.086 202 I HN 0.178 nan 8.210 nan 0.000 0.433 203 G N 2.093 110.833 108.800 -0.100 0.000 2.408 203 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.217 203 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.217 203 G C 1.557 176.423 174.900 -0.058 0.000 1.150 203 G CA 0.760 45.830 45.100 -0.050 0.000 0.776 203 G HN 0.341 nan 8.290 nan 0.000 0.542 204 I N 0.659 121.130 120.570 -0.165 0.000 2.252 204 I HA -0.035 4.134 4.170 -0.001 0.000 0.245 204 I C 2.427 178.572 176.117 0.047 0.000 1.102 204 I CA 0.665 61.887 61.300 -0.130 0.000 1.385 204 I CB -1.243 36.593 38.000 -0.274 0.000 1.064 204 I HN 0.050 nan 8.210 nan 0.000 0.414 205 F N 1.218 121.165 119.950 -0.005 0.000 2.234 205 F HA -0.138 4.388 4.527 -0.001 0.000 0.299 205 F C 2.704 178.518 175.800 0.023 0.000 1.087 205 F CA 0.894 58.904 58.000 0.017 0.000 1.340 205 F CB -1.158 37.869 39.000 0.045 0.000 1.031 205 F HN 0.077 nan 8.300 nan 0.000 0.500 206 R N 1.109 121.730 120.500 0.202 0.000 2.075 206 R HA -0.121 4.218 4.340 -0.001 0.000 0.232 206 R C 1.875 178.228 176.300 0.088 0.000 1.126 206 R CA 1.651 57.825 56.100 0.123 0.000 0.963 206 R CB -0.603 29.750 30.300 0.088 0.000 0.858 206 R HN 0.323 nan 8.270 nan 0.000 0.435 207 E N -1.043 119.201 120.200 0.074 0.000 2.153 207 E HA -0.123 4.226 4.350 -0.001 0.000 0.194 207 E C 1.033 177.668 176.600 0.057 0.000 0.988 207 E CA 1.658 58.089 56.400 0.052 0.000 0.811 207 E CB 0.040 29.762 29.700 0.035 0.000 0.746 207 E HN 0.356 nan 8.360 nan 0.000 0.466 208 T N -0.749 113.855 114.554 0.082 0.000 3.086 208 T HA 0.184 4.533 4.350 -0.001 0.000 0.250 208 T C 1.199 175.934 174.700 0.059 0.000 1.074 208 T CA 0.442 62.585 62.100 0.071 0.000 0.988 208 T CB 0.642 69.567 68.868 0.094 0.000 0.988 208 T HN 0.388 nan 8.240 nan 0.000 0.530 209 G N 2.519 111.359 108.800 0.066 0.000 2.187 209 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.261 209 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.261 209 G C -0.154 174.768 174.900 0.036 0.000 1.000 209 G CA -0.047 45.084 45.100 0.050 0.000 0.718 209 G HN 0.578 nan 8.290 nan 0.000 0.519 210 E N 0.114 120.337 120.200 0.040 0.000 2.392 210 E HA 0.241 4.590 4.350 -0.001 0.000 0.264 210 E C 0.697 177.279 176.600 -0.030 0.000 1.024 210 E CA -0.269 56.111 56.400 -0.033 0.000 0.903 210 E CB 0.680 30.299 29.700 -0.134 0.000 0.963 210 E HN 0.307 nan 8.360 nan 0.000 0.432 211 K N 1.973 122.335 120.400 -0.063 0.000 2.453 211 K HA 0.036 4.355 4.320 -0.001 0.000 0.280 211 K C -1.149 175.437 176.600 -0.024 0.000 1.045 211 K CA 0.117 56.379 56.287 -0.042 0.000 1.059 211 K CB 0.302 32.762 32.500 -0.067 0.000 0.901 211 K HN 0.181 nan 8.250 nan 0.000 0.475 212 V N 3.607 123.545 119.914 0.041 0.000 2.525 212 V HA 0.478 4.598 4.120 -0.001 0.000 0.299 212 V C 0.431 176.587 176.094 0.104 0.000 1.034 212 V CA -0.772 61.591 62.300 0.106 0.000 0.863 212 V CB 1.678 33.605 31.823 0.174 0.000 0.999 212 V HN 0.973 nan 8.190 nan 0.000 0.423 213 G N 2.742 111.625 108.800 0.139 0.000 2.932 213 G HA2 0.902 4.861 3.960 -0.001 0.000 0.283 213 G HA3 0.902 4.861 3.960 -0.001 0.000 0.283 213 G C -0.992 174.035 174.900 0.211 0.000 1.336 213 G CA -0.427 44.790 45.100 0.195 0.000 1.056 213 G HN 1.231 nan 8.290 nan 0.000 0.522 214 A N -0.904 122.023 122.820 0.178 0.000 2.466 214 A HA 0.534 4.854 4.320 -0.001 0.000 0.284 214 A C -1.827 175.522 177.584 -0.392 0.000 1.049 214 A CA -0.513 51.499 52.037 -0.041 0.000 0.760 214 A CB 0.995 19.976 19.000 -0.032 0.000 1.274 214 A HN 0.935 nan 8.150 nan 0.000 0.412 215 Y N 2.445 122.358 120.300 -0.646 0.000 2.365 215 Y HA 0.511 5.061 4.550 -0.001 0.000 0.340 215 Y C 0.240 175.890 175.900 -0.418 0.000 1.016 215 Y CA 0.108 57.699 58.100 -0.848 0.000 1.196 215 Y CB 1.096 39.140 38.460 -0.693 0.000 1.167 215 Y HN 0.568 nan 8.280 nan 0.000 0.509 216 T N 7.964 121.979 114.554 -0.898 0.000 2.733 216 T HA 0.318 4.667 4.350 -0.001 0.000 0.294 216 T C 0.057 174.333 174.700 -0.706 0.000 0.956 216 T CA -0.589 61.140 62.100 -0.618 0.000 0.987 216 T CB 0.159 68.792 68.868 -0.392 0.000 0.920 216 T HN 0.562 nan 8.240 nan 0.000 0.470 217 L N 3.888 124.850 121.223 -0.435 0.000 2.513 217 L HA 0.081 4.420 4.340 -0.001 0.000 0.272 217 L C 1.575 178.320 176.870 -0.208 0.000 1.187 217 L CA -0.145 54.525 54.840 -0.283 0.000 0.895 217 L CB 0.599 42.561 42.059 -0.162 0.000 1.147 217 L HN 0.687 nan 8.230 nan 0.000 0.483 218 K N 1.266 121.564 120.400 -0.170 0.000 2.057 218 K HA -0.122 4.197 4.320 -0.001 0.000 0.206 218 K C 0.318 176.881 176.600 -0.062 0.000 1.050 218 K CA 1.013 57.234 56.287 -0.110 0.000 0.935 218 K CB -0.001 32.451 32.500 -0.080 0.000 0.715 218 K HN 0.456 nan 8.250 nan 0.000 0.439 219 D N -0.296 120.071 120.400 -0.056 0.000 2.443 219 D HA 0.017 4.657 4.640 -0.001 0.000 0.221 219 D C 0.363 176.646 176.300 -0.028 0.000 1.097 219 D CA -0.565 53.417 54.000 -0.030 0.000 0.865 219 D CB 0.359 41.129 40.800 -0.050 0.000 1.034 219 D HN -0.020 nan 8.370 nan 0.000 0.511 220 F N 3.764 123.649 119.950 -0.108 0.000 2.120 220 F HA -0.201 4.325 4.527 -0.001 0.000 0.300 220 F C 1.461 177.205 175.800 -0.094 0.000 1.095 220 F CA 1.610 59.538 58.000 -0.119 0.000 1.249 220 F CB 0.151 39.073 39.000 -0.130 0.000 0.995 220 F HN 0.329 nan 8.300 nan 0.000 0.480 221 D N 0.337 120.617 120.400 -0.201 0.000 2.265 221 D HA -0.236 4.403 4.640 -0.001 0.000 0.208 221 D C 1.996 178.131 176.300 -0.276 0.000 0.977 221 D CA 1.353 55.193 54.000 -0.267 0.000 0.871 221 D CB -0.522 40.250 40.800 -0.047 0.000 0.925 221 D HN 0.611 nan 8.370 nan 0.000 0.485 222 E N 0.874 120.940 120.200 -0.224 0.000 2.338 222 E HA -0.120 4.229 4.350 -0.001 0.000 0.197 222 E C 1.550 178.023 176.600 -0.212 0.000 1.007 222 E CA 0.695 56.989 56.400 -0.176 0.000 0.849 222 E CB 0.175 29.799 29.700 -0.125 0.000 0.774 222 E HN 0.182 nan 8.360 nan 0.000 0.506 223 S N 0.079 115.579 115.700 -0.333 0.000 2.593 223 S HA 0.006 4.475 4.470 -0.001 0.000 0.217 223 S C 0.729 175.163 174.600 -0.276 0.000 0.966 223 S CA -0.522 57.492 58.200 -0.311 0.000 0.914 223 S CB -0.232 62.736 63.200 -0.385 0.000 0.776 223 S HN 0.241 nan 8.310 nan 0.000 0.523 224 L N 2.943 123.996 121.223 -0.284 0.000 2.678 224 L HA 0.349 4.689 4.340 -0.001 0.000 0.285 224 L C 0.487 177.304 176.870 -0.089 0.000 1.233 224 L CA 0.856 55.591 54.840 -0.174 0.000 0.920 224 L CB -0.148 41.829 42.059 -0.137 0.000 1.176 224 L HN 0.291 nan 8.230 nan 0.000 0.495 225 G N 5.203 113.978 108.800 -0.041 0.000 2.468 225 G HA2 0.511 4.470 3.960 -0.001 0.000 0.315 225 G HA3 0.511 4.470 3.960 -0.001 0.000 0.315 225 G C -0.952 173.938 174.900 -0.018 0.000 1.203 225 G CA -0.577 44.511 45.100 -0.019 0.000 0.962 225 G HN 0.550 nan 8.290 nan 0.000 0.476 226 V N 3.665 123.569 119.914 -0.017 0.000 2.415 226 V HA 0.079 4.198 4.120 -0.001 0.000 0.267 226 V C 0.406 176.483 176.094 -0.028 0.000 1.042 226 V CA -0.340 61.946 62.300 -0.024 0.000 1.000 226 V CB 0.641 32.451 31.823 -0.022 0.000 1.015 226 V HN 0.751 nan 8.190 nan 0.000 0.478 227 N N 2.910 121.588 118.700 -0.037 0.000 2.273 227 N HA 0.100 4.839 4.740 -0.001 0.000 0.192 227 N C 0.115 175.590 175.510 -0.058 0.000 1.132 227 N CA 0.158 53.183 53.050 -0.042 0.000 0.887 227 N CB 0.970 39.432 38.487 -0.040 0.000 1.048 227 N HN 0.876 nan 8.380 nan 0.000 0.490 228 D N -1.507 118.854 120.400 -0.064 0.000 2.664 228 D HA 0.264 4.903 4.640 -0.001 0.000 0.292 228 D C 0.494 176.742 176.300 -0.087 0.000 1.214 228 D CA -0.610 53.344 54.000 -0.076 0.000 0.932 228 D CB 0.954 41.726 40.800 -0.046 0.000 1.420 228 D HN -0.296 nan 8.370 nan 0.000 0.471 229 R N -0.452 119.999 120.500 -0.083 0.000 2.235 229 R HA 0.088 4.427 4.340 -0.001 0.000 0.213 229 R C 1.787 178.066 176.300 -0.036 0.000 1.059 229 R CA 0.526 56.584 56.100 -0.071 0.000 0.997 229 R CB -0.271 29.994 30.300 -0.058 0.000 0.884 229 R HN 0.248 nan 8.270 nan 0.000 0.462 230 V N 0.840 120.739 119.914 -0.025 0.000 2.295 230 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 230 V C 2.361 178.450 176.094 -0.007 0.000 1.049 230 V CA 2.130 64.424 62.300 -0.009 0.000 1.024 230 V CB -0.576 31.246 31.823 -0.001 0.000 0.648 230 V HN 0.397 nan 8.190 nan 0.000 0.447 231 A N -0.613 122.199 122.820 -0.015 0.000 2.014 231 A HA -0.117 4.202 4.320 -0.001 0.000 0.218 231 A C 2.111 179.682 177.584 -0.022 0.000 1.163 231 A CA 1.583 53.611 52.037 -0.014 0.000 0.652 231 A CB -0.465 18.525 19.000 -0.017 0.000 0.808 231 A HN 0.444 nan 8.150 nan 0.000 0.449 232 L N -0.154 121.050 121.223 -0.031 0.000 2.017 232 L HA -0.082 4.258 4.340 -0.001 0.000 0.208 232 L C 2.684 179.550 176.870 -0.007 0.000 1.073 232 L CA 2.152 56.977 54.840 -0.025 0.000 0.745 232 L CB -0.635 41.399 42.059 -0.042 0.000 0.894 232 L HN 0.329 nan 8.230 nan 0.000 0.432 233 A N -1.844 120.974 122.820 -0.003 0.000 1.933 233 A HA -0.192 4.127 4.320 -0.001 0.000 0.218 233 A C 2.257 179.847 177.584 0.011 0.000 1.175 233 A CA 2.186 54.229 52.037 0.011 0.000 0.628 233 A CB -1.121 17.887 19.000 0.012 0.000 0.814 233 A HN 0.512 nan 8.150 nan 0.000 0.444 234 T N 0.172 114.727 114.554 0.002 0.000 2.821 234 T HA 0.014 4.363 4.350 -0.001 0.000 0.267 234 T C 2.221 176.911 174.700 -0.017 0.000 1.046 234 T CA 1.432 63.531 62.100 -0.001 0.000 1.139 234 T CB -0.380 68.487 68.868 -0.001 0.000 0.871 234 T HN 0.593 nan 8.240 nan 0.000 0.454 235 A N 1.460 124.263 122.820 -0.028 0.000 1.877 235 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 235 A C 2.198 179.754 177.584 -0.046 0.000 1.186 235 A CA 1.928 53.932 52.037 -0.054 0.000 0.620 235 A CB -0.639 18.323 19.000 -0.063 0.000 0.822 235 A HN 0.441 nan 8.150 nan 0.000 0.443 236 E N 0.085 120.278 120.200 -0.013 0.000 2.097 236 E HA -0.164 4.185 4.350 -0.001 0.000 0.196 236 E C 2.221 178.838 176.600 0.028 0.000 1.000 236 E CA 1.554 57.966 56.400 0.019 0.000 0.804 236 E CB -0.401 29.326 29.700 0.045 0.000 0.740 236 E HN 0.489 nan 8.360 nan 0.000 0.454 237 S N -1.280 114.433 115.700 0.022 0.000 2.348 237 S HA -0.123 4.346 4.470 -0.001 0.000 0.221 237 S C 1.976 176.572 174.600 -0.005 0.000 1.033 237 S CA 1.359 59.572 58.200 0.022 0.000 1.010 237 S CB -0.399 62.812 63.200 0.019 0.000 0.891 237 S HN 0.198 nan 8.310 nan 0.000 0.442 238 V N 1.649 121.547 119.914 -0.026 0.000 2.295 238 V HA -0.159 3.960 4.120 -0.001 0.000 0.246 238 V C 2.504 178.567 176.094 -0.052 0.000 1.049 238 V CA 2.171 64.444 62.300 -0.046 0.000 1.024 238 V CB -0.629 31.156 31.823 -0.063 0.000 0.648 238 V HN 0.499 nan 8.190 nan 0.000 0.447 239 M N 0.066 119.632 119.600 -0.056 0.000 2.159 239 M HA -0.129 4.350 4.480 -0.001 0.000 0.263 239 M C 2.196 178.489 176.300 -0.013 0.000 1.063 239 M CA 1.800 57.068 55.300 -0.054 0.000 1.110 239 M CB -0.709 31.835 32.600 -0.093 0.000 1.374 239 M HN 0.207 nan 8.290 nan 0.000 0.411 240 R N -0.624 119.879 120.500 0.005 0.000 2.073 240 R HA -0.188 4.151 4.340 -0.001 0.000 0.234 240 R C 2.467 178.749 176.300 -0.029 0.000 1.134 240 R CA 2.016 58.126 56.100 0.016 0.000 0.952 240 R CB -0.374 29.950 30.300 0.039 0.000 0.850 240 R HN 0.415 nan 8.270 nan 0.000 0.433 241 R N 0.323 120.797 120.500 -0.042 0.000 2.081 241 R HA -0.152 4.188 4.340 -0.001 0.000 0.235 241 R C 2.494 178.761 176.300 -0.054 0.000 1.131 241 R CA 1.751 57.813 56.100 -0.063 0.000 0.960 241 R CB -0.254 30.015 30.300 -0.052 0.000 0.856 241 R HN 0.194 nan 8.270 nan 0.000 0.436 242 R N 0.552 121.021 120.500 -0.052 0.000 2.080 242 R HA -0.150 4.190 4.340 -0.001 0.000 0.236 242 R C 2.264 178.542 176.300 -0.037 0.000 1.137 242 R CA 2.096 58.164 56.100 -0.053 0.000 0.943 242 R CB -0.408 29.858 30.300 -0.057 0.000 0.846 242 R HN 0.279 nan 8.270 nan 0.000 0.431 243 I N 1.393 121.938 120.570 -0.041 0.000 2.163 243 I HA -0.317 3.852 4.170 -0.001 0.000 0.243 243 I C 1.746 177.800 176.117 -0.105 0.000 1.085 243 I CA 1.376 62.635 61.300 -0.069 0.000 1.347 243 I CB -0.443 37.573 38.000 0.027 0.000 1.044 243 I HN 0.282 nan 8.210 nan 0.000 0.408 244 N N -0.269 118.377 118.700 -0.091 0.000 2.309 244 N HA -0.208 4.532 4.740 -0.001 0.000 0.182 244 N C 1.719 177.012 175.510 -0.362 0.000 1.018 244 N CA 1.105 53.963 53.050 -0.320 0.000 0.876 244 N CB -0.570 37.546 38.487 -0.618 0.000 0.972 244 N HN 0.491 nan 8.380 nan 0.000 0.434 245 H N 1.303 120.215 119.070 -0.263 0.000 2.299 245 H HA 0.002 4.557 4.556 -0.001 0.000 0.302 245 H C 2.120 177.366 175.328 -0.137 0.000 1.078 245 H CA 1.911 57.845 56.048 -0.190 0.000 1.323 245 H CB 0.136 29.816 29.762 -0.136 0.000 1.381 245 H HN 0.046 nan 8.280 nan 0.000 0.498 246 K N -0.513 119.872 120.400 -0.026 0.000 2.020 246 K HA -0.263 4.056 4.320 -0.001 0.000 0.212 246 K C 2.015 178.557 176.600 -0.098 0.000 1.050 246 K CA 1.914 58.152 56.287 -0.082 0.000 0.929 246 K CB -0.260 32.139 32.500 -0.169 0.000 0.714 246 K HN 0.493 nan 8.250 nan 0.000 0.443 247 H N 0.466 119.537 119.070 0.002 0.000 2.319 247 H HA -0.121 4.434 4.556 -0.001 0.000 0.299 247 H C 2.244 177.613 175.328 0.068 0.000 1.092 247 H CA 1.887 57.985 56.048 0.084 0.000 1.302 247 H CB -0.327 29.585 29.762 0.250 0.000 1.373 247 H HN 0.322 nan 8.280 nan 0.000 0.497 248 M N -0.095 119.551 119.600 0.077 0.000 2.159 248 M HA -0.136 4.343 4.480 -0.001 0.000 0.263 248 M C 2.466 178.733 176.300 -0.054 0.000 1.063 248 M CA 1.004 56.307 55.300 0.006 0.000 1.110 248 M CB -0.124 32.378 32.600 -0.163 0.000 1.374 248 M HN 0.009 nan 8.290 nan 0.000 0.411 249 V N 0.624 120.462 119.914 -0.126 0.000 2.515 249 V HA -0.196 3.923 4.120 -0.001 0.000 0.250 249 V C 1.407 177.492 176.094 -0.016 0.000 1.058 249 V CA 1.381 63.625 62.300 -0.094 0.000 1.064 249 V CB -0.785 30.979 31.823 -0.098 0.000 0.675 249 V HN 0.469 nan 8.190 nan 0.000 0.461 250 N N 0.580 119.295 118.700 0.024 0.000 2.515 250 N HA 0.114 4.853 4.740 -0.001 0.000 0.191 250 N C 1.357 176.901 175.510 0.057 0.000 1.182 250 N CA 0.944 54.026 53.050 0.054 0.000 0.879 250 N CB 0.421 38.969 38.487 0.101 0.000 0.984 250 N HN 0.569 nan 8.380 nan 0.000 0.453 251 G N -0.628 108.201 108.800 0.048 0.000 2.142 251 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.225 251 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.225 251 G C -0.448 174.484 174.900 0.054 0.000 1.015 251 G CA -0.092 45.032 45.100 0.041 0.000 0.716 251 G HN 0.164 nan 8.290 nan 0.000 0.508 252 V N 0.979 120.957 119.914 0.107 0.000 2.398 252 V HA 0.637 4.756 4.120 -0.001 0.000 0.286 252 V C 0.690 176.889 176.094 0.176 0.000 1.026 252 V CA -0.391 61.972 62.300 0.105 0.000 0.868 252 V CB 1.770 33.683 31.823 0.150 0.000 0.982 252 V HN 0.369 nan 8.190 nan 0.000 0.443 253 S N 4.794 120.526 115.700 0.054 0.000 2.537 253 S HA 0.672 5.141 4.470 -0.001 0.000 0.275 253 S C -0.737 173.888 174.600 0.042 0.000 1.272 253 S CA -0.144 58.107 58.200 0.085 0.000 1.050 253 S CB 0.382 63.588 63.200 0.011 0.000 0.961 253 S HN 0.459 nan 8.310 nan 0.000 0.496 254 F N 1.530 121.456 119.950 -0.040 0.000 2.507 254 F HA 0.339 4.865 4.527 -0.001 0.000 0.328 254 F C 0.951 176.727 175.800 -0.040 0.000 1.136 254 F CA -0.798 57.175 58.000 -0.045 0.000 0.930 254 F CB 1.308 40.280 39.000 -0.046 0.000 1.166 254 F HN 0.347 nan 8.300 nan 0.000 0.436 255 V N 1.857 121.825 119.914 0.091 0.000 2.358 255 V HA -0.182 3.938 4.120 -0.001 0.000 0.246 255 V C 0.501 176.640 176.094 0.074 0.000 1.047 255 V CA 1.583 63.916 62.300 0.055 0.000 1.035 255 V CB -0.415 31.415 31.823 0.012 0.000 0.658 255 V HN 0.705 nan 8.190 nan 0.000 0.452 256 N N -0.596 118.164 118.700 0.100 0.000 2.685 256 N HA 0.219 4.958 4.740 -0.001 0.000 0.252 256 N C -2.020 173.541 175.510 0.086 0.000 1.261 256 N CA -1.581 51.510 53.050 0.069 0.000 0.768 256 N CB 1.676 40.183 38.487 0.033 0.000 1.304 256 N HN 0.012 nan 8.380 nan 0.000 0.536 257 P HA -0.093 nan 4.420 nan 0.000 0.222 257 P C 0.524 177.753 177.300 -0.118 0.000 1.147 257 P CA 0.982 64.019 63.100 -0.104 0.000 0.790 257 P CB 0.652 32.152 31.700 -0.332 0.000 0.780 258 E N -0.251 119.907 120.200 -0.071 0.000 2.358 258 E HA 0.063 4.412 4.350 -0.001 0.000 0.195 258 E C 1.212 177.762 176.600 -0.083 0.000 1.010 258 E CA 0.512 56.876 56.400 -0.060 0.000 0.856 258 E CB -0.027 29.662 29.700 -0.019 0.000 0.795 258 E HN 0.228 nan 8.360 nan 0.000 0.504 259 A N 0.786 123.527 122.820 -0.132 0.000 2.795 259 A HA 0.307 4.626 4.320 -0.001 0.000 0.282 259 A C -0.189 177.064 177.584 -0.550 0.000 0.964 259 A CA -0.341 51.568 52.037 -0.214 0.000 1.045 259 A CB 0.359 19.370 19.000 0.018 0.000 1.174 259 A HN -0.087 nan 8.150 nan 0.000 0.493 260 T N 0.347 114.464 114.554 -0.728 0.000 2.881 260 T HA 0.507 4.856 4.350 -0.001 0.000 0.290 260 T C -1.339 172.898 174.700 -0.772 0.000 1.000 260 T CA -0.086 61.671 62.100 -0.571 0.000 0.978 260 T CB 0.694 69.567 68.868 0.008 0.000 0.997 260 T HN 0.221 nan 8.240 nan 0.000 0.443 261 Y N 2.916 123.249 120.300 0.056 0.000 2.717 261 Y HA 0.564 5.113 4.550 -0.001 0.000 0.329 261 Y C 0.097 176.005 175.900 0.013 0.000 1.017 261 Y CA -1.107 57.008 58.100 0.026 0.000 1.275 261 Y CB 0.010 38.457 38.460 -0.021 0.000 1.109 261 Y HN 0.456 nan 8.280 nan 0.000 0.511 262 I N 3.357 124.002 120.570 0.126 0.000 2.355 262 I HA 0.241 4.411 4.170 -0.001 0.000 0.288 262 I C -0.412 175.788 176.117 0.139 0.000 0.999 262 I CA -0.867 60.507 61.300 0.123 0.000 1.163 262 I CB 1.081 39.186 38.000 0.175 0.000 1.316 262 I HN 0.422 nan 8.210 nan 0.000 0.454 263 D N 4.006 124.471 120.400 0.109 0.000 2.400 263 D HA -0.013 4.626 4.640 -0.001 0.000 0.238 263 D C 1.146 177.524 176.300 0.131 0.000 1.157 263 D CA 0.002 54.069 54.000 0.111 0.000 0.889 263 D CB 1.068 41.916 40.800 0.081 0.000 1.199 263 D HN 0.435 nan 8.370 nan 0.000 0.436 264 I N 1.163 121.810 120.570 0.128 0.000 2.236 264 I HA -0.282 3.887 4.170 -0.001 0.000 0.249 264 I C 1.054 177.228 176.117 0.095 0.000 1.102 264 I CA 1.816 63.189 61.300 0.121 0.000 1.365 264 I CB 0.064 38.141 38.000 0.129 0.000 1.051 264 I HN 0.256 nan 8.210 nan 0.000 0.420 265 D N -0.243 120.206 120.400 0.082 0.000 2.363 265 D HA 0.169 4.808 4.640 -0.001 0.000 0.214 265 D C 0.389 176.743 176.300 0.089 0.000 1.093 265 D CA 0.079 54.123 54.000 0.073 0.000 0.837 265 D CB 0.130 40.958 40.800 0.047 0.000 0.948 265 D HN 0.097 nan 8.370 nan 0.000 0.507 266 V N 1.533 121.517 119.914 0.115 0.000 2.763 266 V HA -0.022 4.097 4.120 -0.001 0.000 0.306 266 V C 0.690 176.872 176.094 0.145 0.000 1.059 266 V CA 0.279 62.642 62.300 0.105 0.000 1.138 266 V CB 0.846 32.723 31.823 0.089 0.000 0.940 266 V HN -0.009 nan 8.190 nan 0.000 0.489 267 E N 4.699 124.950 120.200 0.085 0.000 2.158 267 E HA 0.638 4.988 4.350 -0.001 0.000 0.271 267 E C -1.060 175.555 176.600 0.025 0.000 0.911 267 E CA -0.433 56.023 56.400 0.095 0.000 0.767 267 E CB 1.999 31.738 29.700 0.066 0.000 1.120 267 E HN 0.530 nan 8.360 nan 0.000 0.405 268 I N 2.232 122.816 120.570 0.025 0.000 2.499 268 I HA 0.432 4.601 4.170 -0.001 0.000 0.288 268 I C 0.020 176.141 176.117 0.007 0.000 1.048 268 I CA -0.905 60.356 61.300 -0.065 0.000 1.062 268 I CB 1.843 39.675 38.000 -0.280 0.000 1.238 268 I HN 0.510 nan 8.210 nan 0.000 0.426 269 A N 4.231 127.046 122.820 -0.009 0.000 2.296 269 A HA 0.596 4.915 4.320 -0.001 0.000 0.264 269 A C 0.541 178.129 177.584 0.005 0.000 1.097 269 A CA -0.291 51.750 52.037 0.008 0.000 0.811 269 A CB 0.384 19.383 19.000 -0.002 0.000 1.072 269 A HN 0.817 nan 8.150 nan 0.000 0.495 270 S N -0.618 115.091 115.700 0.014 0.000 2.593 270 S HA 0.374 4.843 4.470 -0.001 0.000 0.269 270 S C 0.300 174.897 174.600 -0.004 0.000 1.334 270 S CA 0.469 58.677 58.200 0.013 0.000 1.015 270 S CB 0.593 63.803 63.200 0.017 0.000 0.912 270 S HN 0.844 nan 8.310 nan 0.000 0.541 271 E N -2.240 117.956 120.200 -0.006 0.000 3.916 271 E HA -0.159 4.190 4.350 -0.001 0.000 0.331 271 E C -0.608 175.969 176.600 -0.038 0.000 0.729 271 E CA 0.780 57.169 56.400 -0.017 0.000 1.222 271 E CB -1.775 27.917 29.700 -0.014 0.000 1.633 271 E HN 0.510 nan 8.360 nan 0.000 0.437 272 V N 1.760 121.643 119.914 -0.052 0.000 2.529 272 V HA -0.030 4.089 4.120 -0.001 0.000 0.292 272 V C 0.657 176.676 176.094 -0.124 0.000 1.028 272 V CA 0.922 63.167 62.300 -0.091 0.000 1.074 272 V CB 1.145 32.899 31.823 -0.115 0.000 0.958 272 V HN 0.115 nan 8.190 nan 0.000 0.481 273 Q N 5.385 125.107 119.800 -0.131 0.000 2.325 273 Q HA 0.586 4.926 4.340 -0.001 0.000 0.262 273 Q C -0.936 174.937 176.000 -0.212 0.000 0.968 273 Q CA -0.261 55.453 55.803 -0.148 0.000 0.877 273 Q CB 2.044 30.724 28.738 -0.097 0.000 1.253 273 Q HN 0.640 nan 8.270 nan 0.000 0.448 274 I N 2.193 122.573 120.570 -0.317 0.000 2.410 274 I HA 0.267 4.437 4.170 -0.001 0.000 0.286 274 I C 0.240 176.190 176.117 -0.278 0.000 1.009 274 I CA -0.602 60.469 61.300 -0.381 0.000 1.111 274 I CB 1.512 39.083 38.000 -0.716 0.000 1.262 274 I HN 0.486 nan 8.210 nan 0.000 0.443 275 E N 3.505 123.602 120.200 -0.171 0.000 2.369 275 E HA 0.460 4.809 4.350 -0.001 0.000 0.255 275 E C 0.169 176.722 176.600 -0.079 0.000 1.172 275 E CA -0.566 55.776 56.400 -0.098 0.000 0.932 275 E CB 1.001 30.660 29.700 -0.069 0.000 1.040 275 E HN 0.707 nan 8.360 nan 0.000 0.454 276 A N 1.742 124.545 122.820 -0.028 0.000 2.448 276 A HA 0.041 4.360 4.320 -0.001 0.000 0.239 276 A C 0.542 178.132 177.584 0.011 0.000 1.080 276 A CA 0.348 52.382 52.037 -0.005 0.000 0.779 276 A CB -0.101 18.910 19.000 0.018 0.000 1.026 276 A HN 0.857 nan 8.150 nan 0.000 0.499 277 N N -1.442 117.281 118.700 0.038 0.000 2.747 277 N HA -0.143 4.596 4.740 -0.001 0.000 0.249 277 N C -0.653 174.929 175.510 0.120 0.000 1.107 277 N CA 1.010 54.149 53.050 0.148 0.000 0.707 277 N CB -1.383 37.191 38.487 0.145 0.000 1.054 277 N HN 0.521 nan 8.380 nan 0.000 0.555 278 V N 0.380 120.317 119.914 0.040 0.000 2.481 278 V HA 0.507 4.627 4.120 -0.001 0.000 0.286 278 V C 0.701 176.814 176.094 0.031 0.000 1.042 278 V CA -0.178 62.126 62.300 0.006 0.000 0.928 278 V CB 1.897 33.672 31.823 -0.081 0.000 0.986 278 V HN 0.221 nan 8.190 nan 0.000 0.462 279 T N 6.583 121.115 114.554 -0.037 0.000 2.786 279 T HA 0.641 4.990 4.350 -0.001 0.000 0.283 279 T C -0.585 173.984 174.700 -0.217 0.000 0.992 279 T CA -0.287 61.713 62.100 -0.166 0.000 0.954 279 T CB 0.665 69.204 68.868 -0.548 0.000 0.934 279 T HN 0.369 nan 8.240 nan 0.000 0.440 280 L N 3.812 124.959 121.223 -0.126 0.000 2.372 280 L HA 0.566 4.905 4.340 -0.001 0.000 0.273 280 L C -0.112 176.729 176.870 -0.049 0.000 0.989 280 L CA -0.838 53.955 54.840 -0.079 0.000 0.841 280 L CB 1.633 43.663 42.059 -0.048 0.000 1.225 280 L HN 0.381 nan 8.230 nan 0.000 0.414 281 K N 1.374 121.749 120.400 -0.042 0.000 2.281 281 K HA 0.812 5.131 4.320 -0.001 0.000 0.242 281 K C 0.492 177.114 176.600 0.036 0.000 0.971 281 K CA -0.159 56.130 56.287 0.003 0.000 0.834 281 K CB 2.245 34.749 32.500 0.006 0.000 1.181 281 K HN 0.658 nan 8.250 nan 0.000 0.435 282 G N 1.105 109.931 108.800 0.044 0.000 2.566 282 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.280 282 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.280 282 G C -0.654 174.270 174.900 0.041 0.000 1.225 282 G CA -0.332 44.795 45.100 0.044 0.000 0.966 282 G HN 0.507 nan 8.290 nan 0.000 0.560 283 Q N 1.654 121.476 119.800 0.037 0.000 3.184 283 Q HA 0.345 4.684 4.340 -0.001 0.000 0.288 283 Q C 0.207 176.226 176.000 0.031 0.000 1.412 283 Q CA 0.481 56.304 55.803 0.033 0.000 0.991 283 Q CB -0.390 28.365 28.738 0.028 0.000 1.688 283 Q HN 0.481 nan 8.270 nan 0.000 0.554 284 T N 1.357 115.930 114.554 0.031 0.000 2.824 284 T HA 0.478 4.827 4.350 -0.001 0.000 0.280 284 T C 0.051 174.760 174.700 0.016 0.000 0.995 284 T CA -0.539 61.574 62.100 0.022 0.000 1.009 284 T CB 1.398 70.276 68.868 0.016 0.000 0.955 284 T HN 0.155 nan 8.240 nan 0.000 0.452 285 K N 2.633 123.038 120.400 0.008 0.000 2.378 285 K HA 0.595 4.914 4.320 -0.001 0.000 0.252 285 K C -1.065 175.527 176.600 -0.013 0.000 0.931 285 K CA -0.934 55.355 56.287 0.003 0.000 0.794 285 K CB 1.851 34.357 32.500 0.010 0.000 1.181 285 K HN 0.337 nan 8.250 nan 0.000 0.425 286 I N 2.200 122.754 120.570 -0.028 0.000 2.418 286 I HA 0.257 4.426 4.170 -0.001 0.000 0.287 286 I C 0.788 176.885 176.117 -0.034 0.000 1.008 286 I CA -0.542 60.732 61.300 -0.043 0.000 1.104 286 I CB 1.065 39.017 38.000 -0.082 0.000 1.264 286 I HN 0.720 nan 8.210 nan 0.000 0.438 287 G N 4.046 112.830 108.800 -0.027 0.000 2.634 287 G HA2 0.454 4.414 3.960 -0.001 0.000 0.255 287 G HA3 0.454 4.414 3.960 -0.001 0.000 0.255 287 G C 0.155 175.039 174.900 -0.026 0.000 1.205 287 G CA -0.356 44.733 45.100 -0.019 0.000 0.884 287 G HN 0.806 nan 8.290 nan 0.000 0.549 288 A N -0.414 122.396 122.820 -0.018 0.000 2.531 288 A HA 0.419 4.739 4.320 -0.001 0.000 0.236 288 A C 0.995 178.563 177.584 -0.025 0.000 1.062 288 A CA 0.992 53.017 52.037 -0.019 0.000 0.760 288 A CB -0.290 18.704 19.000 -0.009 0.000 0.995 288 A HN 1.082 nan 8.150 nan 0.000 0.501 289 E N -0.679 119.502 120.200 -0.031 0.000 3.799 289 E HA -0.181 4.169 4.350 -0.001 0.000 0.320 289 E C 0.108 176.681 176.600 -0.046 0.000 0.760 289 E CA 1.279 57.658 56.400 -0.035 0.000 1.153 289 E CB -2.143 27.542 29.700 -0.025 0.000 1.589 289 E HN 0.768 nan 8.360 nan 0.000 0.448 290 T N 1.278 115.801 114.554 -0.052 0.000 2.928 290 T HA 0.256 4.606 4.350 -0.001 0.000 0.305 290 T C 0.248 174.899 174.700 -0.080 0.000 1.035 290 T CA 0.007 62.071 62.100 -0.060 0.000 1.145 290 T CB 1.216 70.049 68.868 -0.059 0.000 0.963 290 T HN -0.009 nan 8.240 nan 0.000 0.545 291 V N 5.467 125.334 119.914 -0.079 0.000 2.427 291 V HA 0.454 4.574 4.120 -0.001 0.000 0.286 291 V C -0.048 175.987 176.094 -0.098 0.000 1.034 291 V CA -0.680 61.566 62.300 -0.091 0.000 0.893 291 V CB 1.178 32.953 31.823 -0.079 0.000 0.982 291 V HN 0.659 nan 8.190 nan 0.000 0.452 292 L N 5.084 126.237 121.223 -0.117 0.000 2.376 292 L HA 0.583 4.922 4.340 -0.001 0.000 0.275 292 L C 0.362 177.167 176.870 -0.109 0.000 0.987 292 L CA -0.396 54.377 54.840 -0.113 0.000 0.828 292 L CB 2.164 44.143 42.059 -0.134 0.000 1.249 292 L HN 0.773 nan 8.230 nan 0.000 0.409 293 T N -1.386 113.112 114.554 -0.093 0.000 2.912 293 T HA 0.230 4.579 4.350 -0.001 0.000 0.280 293 T C 0.317 174.979 174.700 -0.064 0.000 0.989 293 T CA -0.790 61.259 62.100 -0.084 0.000 0.995 293 T CB 1.385 70.198 68.868 -0.092 0.000 1.077 293 T HN 0.484 nan 8.240 nan 0.000 0.531 294 N N 0.376 119.047 118.700 -0.047 0.000 2.301 294 N HA 0.095 4.834 4.740 -0.001 0.000 0.267 294 N C 1.473 176.982 175.510 -0.003 0.000 1.304 294 N CA 1.956 54.998 53.050 -0.014 0.000 0.851 294 N CB -0.070 38.416 38.487 -0.002 0.000 1.070 294 N HN 1.211 nan 8.380 nan 0.000 0.483 295 G N 2.057 110.879 108.800 0.038 0.000 2.232 295 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.226 295 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.226 295 G C 0.311 175.259 174.900 0.080 0.000 0.996 295 G CA 0.313 45.453 45.100 0.067 0.000 0.626 295 G HN 0.682 nan 8.290 nan 0.000 0.509 296 T N 1.081 115.656 114.554 0.035 0.000 2.902 296 T HA 0.373 4.723 4.350 -0.001 0.000 0.301 296 T C -0.700 174.069 174.700 0.115 0.000 1.012 296 T CA 0.742 62.871 62.100 0.048 0.000 1.151 296 T CB 0.751 69.613 68.868 -0.010 0.000 0.946 296 T HN 0.399 nan 8.240 nan 0.000 0.542 297 Y N 4.032 124.336 120.300 0.007 0.000 2.332 297 Y HA 0.510 5.059 4.550 -0.002 0.000 0.326 297 Y C -1.006 174.910 175.900 0.026 0.000 0.978 297 Y CA -1.093 57.022 58.100 0.024 0.000 1.205 297 Y CB 0.979 39.451 38.460 0.019 0.000 1.131 297 Y HN 0.368 nan 8.280 nan 0.000 0.462 298 V N 6.648 126.650 119.914 0.146 0.000 2.487 298 V HA 0.582 4.701 4.120 -0.001 0.000 0.298 298 V C -0.885 175.280 176.094 0.117 0.000 1.028 298 V CA -0.960 61.420 62.300 0.133 0.000 0.860 298 V CB 1.582 33.434 31.823 0.048 0.000 0.991 298 V HN 0.493 nan 8.190 nan 0.000 0.427 299 V N 3.292 123.302 119.914 0.159 0.000 2.444 299 V HA 0.452 4.571 4.120 -0.001 0.000 0.294 299 V C -0.246 175.899 176.094 0.085 0.000 1.022 299 V CA -0.688 61.691 62.300 0.132 0.000 0.850 299 V CB 1.449 33.384 31.823 0.188 0.000 0.992 299 V HN 0.971 nan 8.190 nan 0.000 0.426 300 D N 2.869 123.305 120.400 0.061 0.000 2.740 300 D HA -0.153 4.486 4.640 -0.001 0.000 0.231 300 D C 0.206 176.529 176.300 0.038 0.000 1.194 300 D CA 1.141 55.168 54.000 0.044 0.000 0.673 300 D CB -0.528 40.297 40.800 0.042 0.000 0.995 300 D HN 0.603 nan 8.370 nan 0.000 0.411 301 S N -0.817 114.903 115.700 0.034 0.000 2.595 301 S HA 0.739 5.208 4.470 -0.001 0.000 0.281 301 S C 0.010 174.620 174.600 0.017 0.000 1.117 301 S CA -0.838 57.377 58.200 0.026 0.000 0.873 301 S CB 2.424 65.644 63.200 0.032 0.000 1.108 301 S HN 0.238 nan 8.310 nan 0.000 0.477 302 T N -0.176 114.385 114.554 0.013 0.000 2.797 302 T HA 0.780 5.129 4.350 -0.001 0.000 0.279 302 T C -0.545 174.157 174.700 0.003 0.000 0.991 302 T CA -0.587 61.517 62.100 0.007 0.000 0.979 302 T CB 0.252 69.125 68.868 0.008 0.000 0.943 302 T HN 0.473 nan 8.240 nan 0.000 0.444 303 I N 2.470 123.038 120.570 -0.004 0.000 2.447 303 I HA 0.492 4.661 4.170 -0.001 0.000 0.287 303 I C 1.133 177.243 176.117 -0.011 0.000 1.023 303 I CA -1.097 60.197 61.300 -0.009 0.000 1.083 303 I CB 1.823 39.812 38.000 -0.018 0.000 1.245 303 I HN 0.930 nan 8.210 nan 0.000 0.434 304 G N 3.926 112.722 108.800 -0.007 0.000 2.529 304 G HA2 0.494 4.454 3.960 -0.001 0.000 0.277 304 G HA3 0.494 4.454 3.960 -0.001 0.000 0.277 304 G C -0.004 174.889 174.900 -0.012 0.000 1.383 304 G CA -0.225 44.871 45.100 -0.006 0.000 1.050 304 G HN 0.741 nan 8.290 nan 0.000 0.526 305 A N -2.298 120.517 122.820 -0.009 0.000 2.286 305 A HA 0.601 4.920 4.320 -0.001 0.000 0.286 305 A C 1.461 179.037 177.584 -0.013 0.000 1.097 305 A CA 0.758 52.788 52.037 -0.013 0.000 0.821 305 A CB 0.179 19.174 19.000 -0.009 0.000 1.076 305 A HN 2.505 nan 8.150 nan 0.000 0.490 306 G N -0.772 108.016 108.800 -0.019 0.000 2.180 306 G HA2 0.117 4.076 3.960 -0.001 0.000 0.263 306 G HA3 0.117 4.076 3.960 -0.001 0.000 0.263 306 G C 0.576 175.462 174.900 -0.023 0.000 0.989 306 G CA 0.815 45.904 45.100 -0.019 0.000 0.692 306 G HN 2.049 nan 8.290 nan 0.000 0.526 307 A N -0.929 121.874 122.820 -0.028 0.000 2.322 307 A HA 0.766 5.086 4.320 -0.001 0.000 0.269 307 A C 0.180 177.732 177.584 -0.052 0.000 1.094 307 A CA 0.174 52.191 52.037 -0.033 0.000 0.807 307 A CB 1.434 20.417 19.000 -0.028 0.000 1.047 307 A HN 1.179 nan 8.150 nan 0.000 0.487 308 V N 3.259 123.134 119.914 -0.065 0.000 2.409 308 V HA 0.311 4.430 4.120 -0.001 0.000 0.290 308 V C -0.803 175.240 176.094 -0.086 0.000 1.017 308 V CA -0.347 61.905 62.300 -0.081 0.000 0.841 308 V CB 1.196 32.961 31.823 -0.097 0.000 1.003 308 V HN 0.647 nan 8.190 nan 0.000 0.426 309 I N 3.724 124.245 120.570 -0.081 0.000 2.371 309 I HA 0.327 4.496 4.170 -0.001 0.000 0.282 309 I C 0.371 176.433 176.117 -0.093 0.000 1.031 309 I CA -0.031 61.223 61.300 -0.077 0.000 1.180 309 I CB 1.194 39.161 38.000 -0.055 0.000 1.336 309 I HN 0.483 nan 8.210 nan 0.000 0.467 310 T N 5.326 119.809 114.554 -0.117 0.000 2.738 310 T HA 0.135 4.484 4.350 -0.001 0.000 0.298 310 T C 0.829 175.419 174.700 -0.185 0.000 0.962 310 T CA -0.302 61.709 62.100 -0.149 0.000 0.972 310 T CB 0.035 68.800 68.868 -0.172 0.000 0.928 310 T HN 0.548 nan 8.240 nan 0.000 0.474 311 N N 2.744 121.344 118.700 -0.166 0.000 2.689 311 N HA -0.195 4.544 4.740 -0.001 0.000 0.263 311 N C -0.772 174.653 175.510 -0.141 0.000 0.987 311 N CA 0.574 53.516 53.050 -0.179 0.000 0.782 311 N CB -0.837 37.434 38.487 -0.360 0.000 0.903 311 N HN 0.597 nan 8.380 nan 0.000 0.547 312 S N 0.257 115.924 115.700 -0.055 0.000 2.667 312 S HA 0.632 5.102 4.470 -0.001 0.000 0.292 312 S C -0.133 174.501 174.600 0.057 0.000 1.126 312 S CA -0.800 57.397 58.200 -0.005 0.000 0.881 312 S CB 2.187 65.376 63.200 -0.018 0.000 1.132 312 S HN 0.362 nan 8.310 nan 0.000 0.492 313 M N 2.487 122.137 119.600 0.083 0.000 2.181 313 M HA 0.589 5.068 4.480 -0.001 0.000 0.323 313 M C -2.066 174.354 176.300 0.200 0.000 1.004 313 M CA -0.483 54.892 55.300 0.124 0.000 0.941 313 M CB 0.457 33.041 32.600 -0.027 0.000 1.579 313 M HN 0.587 nan 8.290 nan 0.000 0.427 314 I N 4.419 125.089 120.570 0.167 0.000 2.439 314 I HA 0.359 4.529 4.170 -0.001 0.000 0.285 314 I C -0.950 175.241 176.117 0.123 0.000 1.021 314 I CA -0.536 60.838 61.300 0.123 0.000 1.091 314 I CB 1.981 40.025 38.000 0.074 0.000 1.242 314 I HN 0.673 nan 8.210 nan 0.000 0.439 315 E N 5.193 125.451 120.200 0.097 0.000 2.199 315 E HA 0.342 4.692 4.350 -0.001 0.000 0.269 315 E C -0.844 175.780 176.600 0.041 0.000 0.899 315 E CA -0.888 55.561 56.400 0.083 0.000 0.772 315 E CB 1.455 31.207 29.700 0.088 0.000 1.155 315 E HN 0.430 nan 8.360 nan 0.000 0.408 316 E N 1.038 121.263 120.200 0.042 0.000 2.024 316 E HA -0.222 4.128 4.350 -0.001 0.000 0.171 316 E C -0.895 175.713 176.600 0.013 0.000 1.417 316 E CA 0.444 56.859 56.400 0.025 0.000 0.650 316 E CB -0.951 28.761 29.700 0.019 0.000 1.044 316 E HN 0.281 nan 8.360 nan 0.000 0.308 317 S N -0.343 115.366 115.700 0.015 0.000 2.638 317 S HA 0.616 5.085 4.470 -0.001 0.000 0.274 317 S C -0.742 173.864 174.600 0.009 0.000 1.157 317 S CA -0.691 57.513 58.200 0.007 0.000 0.826 317 S CB 2.066 65.266 63.200 0.001 0.000 1.139 317 S HN 0.306 nan 8.310 nan 0.000 0.474 318 S N 0.176 115.879 115.700 0.005 0.000 2.503 318 S HA 0.818 5.287 4.470 -0.001 0.000 0.301 318 S C -1.114 173.489 174.600 0.005 0.000 1.087 318 S CA -0.714 57.490 58.200 0.006 0.000 1.042 318 S CB 1.355 64.559 63.200 0.006 0.000 1.043 318 S HN 0.470 nan 8.310 nan 0.000 0.489 319 V N 2.131 122.048 119.914 0.005 0.000 2.409 319 V HA 0.703 4.822 4.120 -0.001 0.000 0.290 319 V C 0.710 176.807 176.094 0.005 0.000 1.017 319 V CA -0.626 61.677 62.300 0.005 0.000 0.841 319 V CB 0.725 32.549 31.823 0.002 0.000 1.003 319 V HN 1.229 nan 8.190 nan 0.000 0.426 320 A N 3.797 126.622 122.820 0.008 0.000 2.261 320 A HA 0.408 4.727 4.320 -0.001 0.000 0.275 320 A C 0.156 177.745 177.584 0.008 0.000 1.246 320 A CA -0.135 51.907 52.037 0.009 0.000 0.810 320 A CB 0.040 19.047 19.000 0.011 0.000 1.168 320 A HN 0.789 nan 8.150 nan 0.000 0.506 321 D N -1.322 119.083 120.400 0.009 0.000 2.357 321 D HA 0.424 5.064 4.640 -0.001 0.000 0.242 321 D C 1.235 177.545 176.300 0.016 0.000 1.153 321 D CA 1.367 55.371 54.000 0.008 0.000 0.918 321 D CB 0.332 41.136 40.800 0.006 0.000 1.181 321 D HN 1.101 nan 8.370 nan 0.000 0.435 322 G N -0.099 108.709 108.800 0.014 0.000 2.196 322 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.268 322 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.268 322 G C 0.354 175.282 174.900 0.047 0.000 0.975 322 G CA 0.397 45.515 45.100 0.029 0.000 0.648 322 G HN 0.481 nan 8.290 nan 0.000 0.538 323 V N 2.317 122.251 119.914 0.033 0.000 2.585 323 V HA 0.319 4.438 4.120 -0.001 0.000 0.296 323 V C 0.801 176.885 176.094 -0.016 0.000 1.035 323 V CA -0.061 62.263 62.300 0.040 0.000 1.084 323 V CB 1.133 32.970 31.823 0.024 0.000 0.953 323 V HN 0.264 nan 8.190 nan 0.000 0.483 324 I N 5.913 126.451 120.570 -0.052 0.000 2.362 324 I HA 0.493 4.662 4.170 -0.001 0.000 0.289 324 I C -0.224 175.809 176.117 -0.140 0.000 0.994 324 I CA -0.441 60.749 61.300 -0.184 0.000 1.158 324 I CB 1.364 39.071 38.000 -0.488 0.000 1.315 324 I HN 0.258 nan 8.210 nan 0.000 0.451 325 V N 4.693 124.536 119.914 -0.118 0.000 2.638 325 V HA 0.948 5.067 4.120 -0.001 0.000 0.306 325 V C 0.390 176.409 176.094 -0.126 0.000 1.052 325 V CA -0.260 61.981 62.300 -0.098 0.000 0.885 325 V CB 1.400 33.188 31.823 -0.059 0.000 0.999 325 V HN 1.120 nan 8.190 nan 0.000 0.424 326 G N 5.815 114.529 108.800 -0.142 0.000 2.549 326 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.404 326 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.404 326 G C -3.150 171.610 174.900 -0.233 0.000 1.292 326 G CA -0.367 44.619 45.100 -0.190 0.000 0.935 326 G HN 0.713 nan 8.290 nan 0.000 0.512 327 P HA 0.448 nan 4.420 nan 0.000 0.277 327 P C -0.426 176.638 177.300 -0.393 0.000 1.271 327 P CA 0.171 62.993 63.100 -0.464 0.000 0.795 327 P CB 0.105 31.363 31.700 -0.735 0.000 1.101 328 Y N -3.485 116.742 120.300 -0.122 0.000 3.234 328 Y HA -0.117 4.433 4.550 -0.001 0.000 0.207 328 Y C 0.533 176.389 175.900 -0.073 0.000 1.316 328 Y CA 0.593 58.650 58.100 -0.073 0.000 1.309 328 Y CB -2.717 35.734 38.460 -0.016 0.000 1.408 328 Y HN 0.540 nan 8.280 nan 0.000 0.544 329 A N -0.118 122.725 122.820 0.039 0.000 2.330 329 A HA 0.780 5.099 4.320 -0.001 0.000 0.329 329 A C -0.717 176.953 177.584 0.143 0.000 1.135 329 A CA -0.598 51.474 52.037 0.059 0.000 0.817 329 A CB 1.290 20.284 19.000 -0.010 0.000 1.269 329 A HN 0.595 nan 8.150 nan 0.000 0.469 330 H N 2.002 121.088 119.070 0.026 0.000 2.906 330 H HA 0.415 4.970 4.556 -0.001 0.000 0.324 330 H C -1.407 173.931 175.328 0.016 0.000 0.973 330 H CA -0.851 55.209 56.048 0.021 0.000 1.321 330 H CB 0.674 30.451 29.762 0.023 0.000 1.535 330 H HN 0.424 nan 8.280 nan 0.000 0.518 331 I N 6.069 126.673 120.570 0.057 0.000 2.310 331 I HA 0.236 4.405 4.170 -0.001 0.000 0.287 331 I C 0.708 176.738 176.117 -0.145 0.000 1.073 331 I CA -0.224 61.042 61.300 -0.056 0.000 1.216 331 I CB 0.367 38.368 38.000 0.002 0.000 1.415 331 I HN 0.546 nan 8.210 nan 0.000 0.480 332 R N 5.584 125.901 120.500 -0.304 0.000 2.649 332 R HA 0.340 4.679 4.340 -0.001 0.000 0.270 332 R C -2.212 174.025 176.300 -0.106 0.000 1.105 332 R CA -1.504 54.431 56.100 -0.274 0.000 1.193 332 R CB -0.069 30.034 30.300 -0.329 0.000 1.120 332 R HN 0.236 nan 8.270 nan 0.000 0.561 333 P HA -0.142 nan 4.420 nan 0.000 0.264 333 P C -0.865 176.418 177.300 -0.028 0.000 1.179 333 P CA 0.706 63.789 63.100 -0.029 0.000 0.763 333 P CB 0.282 31.971 31.700 -0.018 0.000 0.806 334 N N -0.823 117.867 118.700 -0.016 0.000 2.780 334 N HA -0.127 4.612 4.740 -0.001 0.000 0.247 334 N C -0.777 174.722 175.510 -0.018 0.000 1.076 334 N CA 0.959 54.001 53.050 -0.014 0.000 0.688 334 N CB -1.757 36.722 38.487 -0.013 0.000 0.957 334 N HN 0.286 nan 8.380 nan 0.000 0.551 335 S N -0.331 115.357 115.700 -0.020 0.000 2.600 335 S HA 0.796 5.265 4.470 -0.001 0.000 0.300 335 S C 0.005 174.598 174.600 -0.012 0.000 1.087 335 S CA -0.586 57.600 58.200 -0.022 0.000 0.965 335 S CB 2.428 65.606 63.200 -0.036 0.000 1.089 335 S HN 0.386 nan 8.310 nan 0.000 0.496 336 S N 1.312 117.006 115.700 -0.010 0.000 2.547 336 S HA 0.697 5.166 4.470 -0.001 0.000 0.281 336 S C -1.254 173.346 174.600 0.000 0.000 1.118 336 S CA -0.885 57.313 58.200 -0.002 0.000 0.947 336 S CB 0.496 63.697 63.200 0.002 0.000 1.053 336 S HN 0.532 nan 8.310 nan 0.000 0.482 337 L N 3.066 124.291 121.223 0.005 0.000 2.318 337 L HA 0.613 4.952 4.340 -0.001 0.000 0.277 337 L C 1.064 177.944 176.870 0.016 0.000 1.008 337 L CA -0.868 53.978 54.840 0.011 0.000 0.846 337 L CB 1.144 43.210 42.059 0.011 0.000 1.220 337 L HN 1.006 nan 8.230 nan 0.000 0.423 338 G N 1.969 110.781 108.800 0.019 0.000 2.750 338 G HA2 0.355 4.314 3.960 -0.001 0.000 0.250 338 G HA3 0.355 4.314 3.960 -0.001 0.000 0.250 338 G C 0.343 175.256 174.900 0.021 0.000 1.230 338 G CA -0.096 45.014 45.100 0.018 0.000 0.883 338 G HN 0.769 nan 8.290 nan 0.000 0.573 339 A N -0.702 122.129 122.820 0.018 0.000 2.531 339 A HA 0.385 4.704 4.320 -0.001 0.000 0.236 339 A C 1.065 178.666 177.584 0.028 0.000 1.062 339 A CA 0.910 52.960 52.037 0.021 0.000 0.760 339 A CB -0.179 18.830 19.000 0.015 0.000 0.995 339 A HN 1.039 nan 8.150 nan 0.000 0.501 340 Q N -0.963 118.867 119.800 0.050 0.000 2.439 340 Q HA -0.170 4.169 4.340 -0.001 0.000 0.247 340 Q C -0.116 175.940 176.000 0.094 0.000 0.899 340 Q CA 0.717 56.569 55.803 0.082 0.000 1.201 340 Q CB -2.056 26.701 28.738 0.031 0.000 1.608 340 Q HN 0.574 nan 8.270 nan 0.000 0.563 341 V N 1.123 121.097 119.914 0.099 0.000 2.740 341 V HA 0.026 4.145 4.120 -0.001 0.000 0.303 341 V C 0.477 176.732 176.094 0.268 0.000 1.054 341 V CA 0.561 62.921 62.300 0.099 0.000 1.106 341 V CB 0.771 32.633 31.823 0.064 0.000 0.957 341 V HN 0.198 nan 8.190 nan 0.000 0.486 342 H N 4.908 123.975 119.070 -0.004 0.000 2.587 342 H HA 0.467 5.022 4.556 -0.001 0.000 0.325 342 H C -0.910 174.394 175.328 -0.041 0.000 1.012 342 H CA -0.991 55.042 56.048 -0.026 0.000 1.213 342 H CB 1.471 31.217 29.762 -0.026 0.000 1.431 342 H HN 0.333 nan 8.280 nan 0.000 0.492 343 I N 3.324 123.913 120.570 0.033 0.000 2.382 343 I HA 0.205 4.375 4.170 -0.001 0.000 0.286 343 I C 1.001 177.066 176.117 -0.086 0.000 1.002 343 I CA -0.126 61.157 61.300 -0.028 0.000 1.135 343 I CB 1.068 39.049 38.000 -0.031 0.000 1.288 343 I HN 0.705 nan 8.210 nan 0.000 0.448 344 G N 6.071 114.794 108.800 -0.128 0.000 2.509 344 G HA2 0.201 4.160 3.960 -0.001 0.000 0.269 344 G HA3 0.201 4.160 3.960 -0.001 0.000 0.269 344 G C 0.070 174.840 174.900 -0.216 0.000 1.416 344 G CA -0.812 44.168 45.100 -0.199 0.000 1.052 344 G HN 0.761 nan 8.290 nan 0.000 0.542 345 N N -1.305 117.197 118.700 -0.329 0.000 2.492 345 N HA 0.122 4.861 4.740 -0.001 0.000 0.262 345 N C -0.798 174.374 175.510 -0.564 0.000 1.202 345 N CA -0.220 52.438 53.050 -0.654 0.000 0.926 345 N CB 0.364 38.190 38.487 -1.102 0.000 1.078 345 N HN 0.397 nan 8.380 nan 0.000 0.454 346 F N -1.859 118.167 119.950 0.127 0.000 3.074 346 F HA -0.183 4.344 4.527 -0.001 0.000 0.287 346 F C -0.864 174.982 175.800 0.076 0.000 0.932 346 F CA -0.271 57.785 58.000 0.093 0.000 0.995 346 F CB -2.325 36.716 39.000 0.070 0.000 0.966 346 F HN 0.243 nan 8.300 nan 0.000 0.721 347 V N 0.151 120.144 119.914 0.132 0.000 2.495 347 V HA 0.514 4.633 4.120 -0.001 0.000 0.298 347 V C 0.123 176.274 176.094 0.095 0.000 1.031 347 V CA -1.053 61.301 62.300 0.090 0.000 0.871 347 V CB 2.250 34.078 31.823 0.007 0.000 0.988 347 V HN 0.307 nan 8.190 nan 0.000 0.432 348 E N 3.541 123.808 120.200 0.111 0.000 2.176 348 E HA 0.618 4.967 4.350 -0.001 0.000 0.267 348 E C -1.852 174.792 176.600 0.073 0.000 0.893 348 E CA -0.476 55.991 56.400 0.112 0.000 0.761 348 E CB 2.147 31.937 29.700 0.151 0.000 1.133 348 E HN 0.464 nan 8.360 nan 0.000 0.409 349 V N 5.441 125.343 119.914 -0.021 0.000 2.378 349 V HA 0.373 4.492 4.120 -0.001 0.000 0.288 349 V C -0.284 175.767 176.094 -0.073 0.000 1.016 349 V CA -0.650 61.608 62.300 -0.070 0.000 0.840 349 V CB 1.493 33.264 31.823 -0.088 0.000 0.994 349 V HN 0.571 nan 8.190 nan 0.000 0.431 350 K N 3.473 123.843 120.400 -0.050 0.000 2.426 350 K HA 0.568 4.887 4.320 -0.001 0.000 0.254 350 K C 0.640 177.211 176.600 -0.048 0.000 0.936 350 K CA 0.000 56.264 56.287 -0.038 0.000 0.801 350 K CB 1.632 34.164 32.500 0.054 0.000 1.139 350 K HN 0.970 nan 8.250 nan 0.000 0.424 351 G N 2.568 111.342 108.800 -0.044 0.000 2.393 351 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.299 351 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.299 351 G C -0.705 174.172 174.900 -0.037 0.000 0.990 351 G CA 0.852 45.931 45.100 -0.034 0.000 1.118 351 G HN 0.494 nan 8.290 nan 0.000 0.513 352 S N -1.080 114.594 115.700 -0.043 0.000 2.564 352 S HA 0.802 5.271 4.470 -0.001 0.000 0.274 352 S C -0.068 174.517 174.600 -0.025 0.000 1.124 352 S CA -0.105 58.071 58.200 -0.040 0.000 0.869 352 S CB 2.137 65.294 63.200 -0.071 0.000 1.105 352 S HN 1.309 nan 8.310 nan 0.000 0.472 353 S N 1.684 117.379 115.700 -0.009 0.000 2.451 353 S HA 0.712 5.182 4.470 -0.001 0.000 0.301 353 S C -0.660 173.949 174.600 0.015 0.000 1.116 353 S CA -0.756 57.446 58.200 0.002 0.000 1.093 353 S CB 0.281 63.485 63.200 0.007 0.000 1.017 353 S HN 0.502 nan 8.310 nan 0.000 0.482 354 I N 2.897 123.477 120.570 0.017 0.000 2.382 354 I HA 0.425 4.595 4.170 -0.001 0.000 0.286 354 I C 1.055 177.194 176.117 0.037 0.000 1.002 354 I CA -0.440 60.884 61.300 0.039 0.000 1.135 354 I CB 0.636 38.655 38.000 0.032 0.000 1.288 354 I HN 0.933 nan 8.210 nan 0.000 0.448 355 G N 5.065 113.891 108.800 0.043 0.000 2.636 355 G HA2 0.184 4.144 3.960 -0.001 0.000 0.246 355 G HA3 0.184 4.144 3.960 -0.001 0.000 0.246 355 G C 0.034 174.948 174.900 0.024 0.000 1.216 355 G CA -0.451 44.666 45.100 0.028 0.000 0.854 355 G HN 0.666 nan 8.290 nan 0.000 0.572 356 E N 0.844 121.052 120.200 0.014 0.000 2.481 356 E HA -0.094 4.255 4.350 -0.001 0.000 0.263 356 E C 0.331 176.926 176.600 -0.007 0.000 0.992 356 E CA 0.360 56.764 56.400 0.006 0.000 0.938 356 E CB 0.287 29.988 29.700 0.002 0.000 0.933 356 E HN 0.595 nan 8.360 nan 0.000 0.453 357 N N 0.020 118.704 118.700 -0.026 0.000 2.863 357 N HA -0.164 4.576 4.740 -0.001 0.000 0.245 357 N C -0.515 174.951 175.510 -0.074 0.000 1.001 357 N CA 1.157 54.160 53.050 -0.078 0.000 0.901 357 N CB -1.457 36.990 38.487 -0.067 0.000 1.124 357 N HN 0.409 nan 8.380 nan 0.000 0.582 358 T N 2.049 116.596 114.554 -0.012 0.000 2.916 358 T HA 0.207 4.557 4.350 -0.001 0.000 0.303 358 T C 0.693 175.424 174.700 0.051 0.000 1.025 358 T CA 0.294 62.416 62.100 0.036 0.000 1.142 358 T CB 1.145 70.079 68.868 0.109 0.000 0.947 358 T HN 0.038 nan 8.240 nan 0.000 0.544 359 K N 1.760 122.203 120.400 0.071 0.000 2.244 359 K HA 0.679 4.998 4.320 -0.001 0.000 0.260 359 K C -0.776 175.939 176.600 0.191 0.000 0.951 359 K CA -0.819 55.522 56.287 0.091 0.000 0.826 359 K CB 2.014 34.534 32.500 0.033 0.000 1.108 359 K HN 0.563 nan 8.250 nan 0.000 0.433 360 A N 1.819 124.715 122.820 0.128 0.000 2.855 360 A HA 0.398 4.718 4.320 -0.001 0.000 0.313 360 A C 0.521 178.086 177.584 -0.032 0.000 1.173 360 A CA -0.652 51.442 52.037 0.095 0.000 0.753 360 A CB 0.532 19.503 19.000 -0.048 0.000 1.200 360 A HN 0.885 nan 8.150 nan 0.000 0.442 361 G N 0.522 109.241 108.800 -0.136 0.000 2.777 361 G HA2 0.351 4.310 3.960 -0.001 0.000 0.211 361 G HA3 0.351 4.310 3.960 -0.001 0.000 0.211 361 G C 0.481 174.944 174.900 -0.729 0.000 1.149 361 G CA 0.336 45.122 45.100 -0.523 0.000 0.785 361 G HN 0.821 nan 8.290 nan 0.000 0.536 362 H N -1.431 117.678 119.070 0.064 0.000 3.038 362 H HA 0.209 4.765 4.556 -0.001 0.000 0.362 362 H C -0.308 175.098 175.328 0.131 0.000 1.167 362 H CA -1.309 54.799 56.048 0.101 0.000 1.197 362 H CB 0.915 30.747 29.762 0.116 0.000 1.840 362 H HN -0.099 nan 8.280 nan 0.000 0.540 363 L N 1.499 122.921 121.223 0.332 0.000 4.178 363 L HA -0.219 4.121 4.340 -0.001 0.000 0.482 363 L C -0.385 176.595 176.870 0.182 0.000 1.093 363 L CA 0.910 55.909 54.840 0.265 0.000 0.638 363 L CB -1.705 40.487 42.059 0.222 0.000 1.413 363 L HN 0.663 nan 8.230 nan 0.000 0.754 364 T N -0.739 113.907 114.554 0.153 0.000 2.900 364 T HA 0.528 4.878 4.350 -0.001 0.000 0.295 364 T C -1.093 173.682 174.700 0.125 0.000 1.044 364 T CA -0.571 61.593 62.100 0.106 0.000 0.995 364 T CB 2.025 70.912 68.868 0.033 0.000 1.072 364 T HN 0.127 nan 8.240 nan 0.000 0.473 365 Y N 3.218 123.493 120.300 -0.042 0.000 2.326 365 Y HA 0.664 5.213 4.550 -0.001 0.000 0.331 365 Y C -1.366 174.469 175.900 -0.108 0.000 0.962 365 Y CA -1.797 56.269 58.100 -0.058 0.000 1.167 365 Y CB 0.499 38.950 38.460 -0.014 0.000 1.148 365 Y HN 0.558 nan 8.280 nan 0.000 0.463 366 I N 6.645 126.970 120.570 -0.407 0.000 2.428 366 I HA 0.478 4.647 4.170 -0.001 0.000 0.279 366 I C 0.240 176.028 176.117 -0.548 0.000 1.040 366 I CA -0.551 60.436 61.300 -0.522 0.000 1.171 366 I CB 1.232 38.947 38.000 -0.474 0.000 1.312 366 I HN 0.855 nan 8.210 nan 0.000 0.470 367 G N 2.987 111.332 108.800 -0.758 0.000 2.461 367 G HA2 0.320 4.279 3.960 -0.001 0.000 0.323 367 G HA3 0.320 4.279 3.960 -0.001 0.000 0.323 367 G C -0.008 174.763 174.900 -0.215 0.000 1.229 367 G CA -0.509 44.318 45.100 -0.455 0.000 0.941 367 G HN 0.632 nan 8.290 nan 0.000 0.477 368 N N -1.156 117.481 118.700 -0.105 0.000 2.714 368 N HA -0.197 4.542 4.740 -0.001 0.000 0.253 368 N C -0.490 174.998 175.510 -0.036 0.000 1.024 368 N CA 0.782 53.803 53.050 -0.047 0.000 0.726 368 N CB -1.223 37.256 38.487 -0.014 0.000 0.908 368 N HN 0.590 nan 8.380 nan 0.000 0.542 369 C N 0.030 119.303 119.300 -0.046 0.000 2.634 369 C HA 0.549 5.008 4.460 -0.001 0.000 0.313 369 C C 0.385 175.378 174.990 0.005 0.000 1.198 369 C CA -1.064 57.947 59.018 -0.013 0.000 1.605 369 C CB 1.898 29.632 27.740 -0.011 0.000 2.196 369 C HN 0.476 nan 8.230 nan 0.000 0.486 370 E N 1.529 121.743 120.200 0.024 0.000 2.113 370 E HA 0.604 4.953 4.350 -0.001 0.000 0.273 370 E C -1.484 175.144 176.600 0.046 0.000 0.924 370 E CA -0.152 56.264 56.400 0.027 0.000 0.764 370 E CB 0.935 30.648 29.700 0.021 0.000 1.104 370 E HN 0.544 nan 8.360 nan 0.000 0.406 371 V N 3.867 123.817 119.914 0.061 0.000 2.495 371 V HA 0.491 4.610 4.120 -0.001 0.000 0.298 371 V C 0.928 177.057 176.094 0.059 0.000 1.031 371 V CA -0.594 61.760 62.300 0.091 0.000 0.871 371 V CB 1.562 33.503 31.823 0.196 0.000 0.988 371 V HN 0.812 nan 8.190 nan 0.000 0.432 372 G N 2.869 111.690 108.800 0.035 0.000 2.525 372 G HA2 0.418 4.378 3.960 -0.001 0.000 0.276 372 G HA3 0.418 4.378 3.960 -0.001 0.000 0.276 372 G C 0.300 175.212 174.900 0.019 0.000 1.388 372 G CA 0.184 45.295 45.100 0.019 0.000 1.050 372 G HN 0.936 nan 8.290 nan 0.000 0.520 373 S N -1.241 114.463 115.700 0.008 0.000 2.646 373 S HA 0.271 4.740 4.470 -0.001 0.000 0.276 373 S C 0.570 175.166 174.600 -0.007 0.000 1.222 373 S CA -0.103 58.099 58.200 0.004 0.000 1.014 373 S CB 1.149 64.350 63.200 0.001 0.000 0.991 373 S HN 0.731 nan 8.310 nan 0.000 0.533 374 N N -1.209 117.485 118.700 -0.011 0.000 2.708 374 N HA -0.132 4.607 4.740 -0.001 0.000 0.251 374 N C -0.554 174.942 175.510 -0.024 0.000 1.123 374 N CA 0.778 53.819 53.050 -0.016 0.000 0.739 374 N CB -1.644 36.837 38.487 -0.010 0.000 1.113 374 N HN 0.493 nan 8.380 nan 0.000 0.561 375 V N 1.202 121.088 119.914 -0.047 0.000 2.732 375 V HA 0.214 4.333 4.120 -0.001 0.000 0.297 375 V C 0.818 176.811 176.094 -0.169 0.000 1.060 375 V CA -0.379 61.835 62.300 -0.143 0.000 1.038 375 V CB 1.853 33.546 31.823 -0.216 0.000 1.003 375 V HN 0.223 nan 8.190 nan 0.000 0.481 376 N N 2.824 121.342 118.700 -0.305 0.000 2.448 376 N HA 0.365 5.104 4.740 -0.001 0.000 0.279 376 N C -1.658 173.533 175.510 -0.531 0.000 1.025 376 N CA -0.393 52.473 53.050 -0.306 0.000 0.898 376 N CB 1.229 39.562 38.487 -0.256 0.000 1.303 376 N HN 0.430 nan 8.380 nan 0.000 0.495 377 F N 1.471 121.308 119.950 -0.188 0.000 2.390 377 F HA 0.374 4.901 4.527 -0.001 0.000 0.361 377 F C 1.585 177.305 175.800 -0.134 0.000 1.124 377 F CA -0.449 57.458 58.000 -0.154 0.000 1.149 377 F CB 1.149 40.110 39.000 -0.066 0.000 1.160 377 F HN 0.359 nan 8.300 nan 0.000 0.501 378 G N 1.972 110.728 108.800 -0.074 0.000 2.544 378 G HA2 0.404 4.364 3.960 -0.001 0.000 0.242 378 G HA3 0.404 4.364 3.960 -0.001 0.000 0.242 378 G C -0.195 174.770 174.900 0.108 0.000 1.247 378 G CA -0.580 44.502 45.100 -0.030 0.000 0.840 378 G HN 0.920 nan 8.290 nan 0.000 0.578 379 A N 0.008 122.894 122.820 0.110 0.000 2.561 379 A HA 0.504 4.823 4.320 -0.001 0.000 0.234 379 A C 1.699 179.337 177.584 0.091 0.000 1.055 379 A CA 1.266 53.375 52.037 0.120 0.000 0.756 379 A CB -0.333 18.586 19.000 -0.135 0.000 0.986 379 A HN 2.646 nan 8.150 nan 0.000 0.505 380 G N 1.798 110.671 108.800 0.122 0.000 2.159 380 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.256 380 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.256 380 G C 0.422 175.382 174.900 0.100 0.000 0.977 380 G CA 0.527 45.685 45.100 0.097 0.000 0.652 380 G HN 1.223 nan 8.290 nan 0.000 0.531 381 T N 1.883 116.508 114.554 0.119 0.000 2.870 381 T HA 0.510 4.859 4.350 -0.001 0.000 0.300 381 T C 0.449 175.220 174.700 0.118 0.000 0.989 381 T CA 0.315 62.493 62.100 0.129 0.000 1.139 381 T CB 1.035 70.030 68.868 0.212 0.000 0.920 381 T HN 0.234 nan 8.240 nan 0.000 0.537 382 I N 3.898 124.535 120.570 0.112 0.000 2.465 382 I HA 0.313 4.483 4.170 -0.001 0.000 0.291 382 I C 0.692 176.856 176.117 0.078 0.000 1.014 382 I CA -0.799 60.576 61.300 0.126 0.000 1.093 382 I CB 1.787 39.875 38.000 0.147 0.000 1.267 382 I HN 0.655 nan 8.210 nan 0.000 0.431 383 T N 3.348 117.897 114.554 -0.007 0.000 2.794 383 T HA 0.725 5.074 4.350 -0.001 0.000 0.280 383 T C -0.337 174.354 174.700 -0.016 0.000 0.987 383 T CA -0.673 61.391 62.100 -0.061 0.000 0.993 383 T CB 1.724 70.480 68.868 -0.188 0.000 0.939 383 T HN 0.203 nan 8.240 nan 0.000 0.449 384 V N 4.472 124.421 119.914 0.057 0.000 2.435 384 V HA 0.430 4.549 4.120 -0.001 0.000 0.290 384 V C 0.534 176.704 176.094 0.127 0.000 1.030 384 V CA -0.827 61.547 62.300 0.124 0.000 0.881 384 V CB 1.310 33.207 31.823 0.123 0.000 0.983 384 V HN 1.062 nan 8.190 nan 0.000 0.445 385 N N 2.364 121.167 118.700 0.171 0.000 2.266 385 N HA 0.051 4.791 4.740 -0.001 0.000 0.217 385 N C -0.253 175.392 175.510 0.225 0.000 1.211 385 N CA -0.073 53.087 53.050 0.184 0.000 0.881 385 N CB 0.322 38.877 38.487 0.114 0.000 1.153 385 N HN 0.513 nan 8.380 nan 0.000 0.489 386 Y N 2.103 122.447 120.300 0.074 0.000 2.361 386 Y HA 0.423 4.972 4.550 -0.001 0.000 0.332 386 Y C -0.181 175.753 175.900 0.057 0.000 1.101 386 Y CA -1.142 56.977 58.100 0.032 0.000 1.137 386 Y CB 1.367 39.846 38.460 0.033 0.000 1.207 386 Y HN 0.073 nan 8.280 nan 0.000 0.463 387 D N 1.632 121.753 120.400 -0.465 0.000 2.540 387 D HA 0.216 4.856 4.640 -0.001 0.000 0.229 387 D C 1.100 177.065 176.300 -0.558 0.000 1.250 387 D CA 0.428 54.219 54.000 -0.348 0.000 0.817 387 D CB 0.200 40.946 40.800 -0.090 0.000 1.060 387 D HN 0.880 nan 8.370 nan 0.000 0.508 388 G N 0.757 108.789 108.800 -1.281 0.000 2.144 388 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.218 388 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.218 388 G C 0.551 175.180 174.900 -0.453 0.000 0.988 388 G CA 0.488 45.103 45.100 -0.808 0.000 0.659 388 G HN 0.553 nan 8.290 nan 0.000 0.522 389 K N -1.394 118.716 120.400 -0.484 0.000 3.148 389 K HA 0.045 4.364 4.320 -0.001 0.000 0.219 389 K C -0.174 176.403 176.600 -0.038 0.000 2.206 389 K CA 0.091 56.313 56.287 -0.108 0.000 1.506 389 K CB -0.247 32.195 32.500 -0.096 0.000 2.496 389 K HN 0.202 nan 8.250 nan 0.000 0.570 390 N N 1.731 120.331 118.700 -0.167 0.000 2.492 390 N HA 0.210 4.950 4.740 -0.001 0.000 0.289 390 N C -1.122 174.203 175.510 -0.309 0.000 1.133 390 N CA -0.307 52.577 53.050 -0.277 0.000 0.961 390 N CB 1.458 39.649 38.487 -0.494 0.000 1.186 390 N HN 0.027 nan 8.380 nan 0.000 0.493 391 K N 2.023 122.213 120.400 -0.350 0.000 2.394 391 K HA 0.346 4.665 4.320 -0.001 0.000 0.260 391 K C -0.956 175.450 176.600 -0.322 0.000 0.967 391 K CA -0.425 55.741 56.287 -0.202 0.000 0.855 391 K CB 0.889 33.361 32.500 -0.048 0.000 1.101 391 K HN 0.467 nan 8.250 nan 0.000 0.433 392 Y N 0.605 120.943 120.300 0.063 0.000 2.568 392 Y HA 0.437 4.986 4.550 -0.001 0.000 0.327 392 Y C 0.655 176.569 175.900 0.024 0.000 1.163 392 Y CA -0.762 57.359 58.100 0.036 0.000 1.219 392 Y CB 1.259 39.736 38.460 0.028 0.000 1.308 392 Y HN 0.314 nan 8.280 nan 0.000 0.503 393 K N -0.106 120.419 120.400 0.208 0.000 2.267 393 K HA 0.659 4.979 4.320 -0.001 0.000 0.246 393 K C -1.360 175.285 176.600 0.076 0.000 0.954 393 K CA -0.505 55.844 56.287 0.103 0.000 0.824 393 K CB 1.565 34.109 32.500 0.074 0.000 1.167 393 K HN 0.720 nan 8.250 nan 0.000 0.431 394 T N 1.697 116.279 114.554 0.047 0.000 2.861 394 T HA 0.365 4.715 4.350 -0.001 0.000 0.287 394 T C -1.285 173.434 174.700 0.031 0.000 1.003 394 T CA -0.587 61.534 62.100 0.035 0.000 0.977 394 T CB 1.522 70.410 68.868 0.034 0.000 0.996 394 T HN 0.258 nan 8.240 nan 0.000 0.448 395 V N 4.733 124.663 119.914 0.026 0.000 2.398 395 V HA 0.552 4.671 4.120 -0.001 0.000 0.286 395 V C -0.335 175.772 176.094 0.022 0.000 1.026 395 V CA -0.713 61.601 62.300 0.024 0.000 0.868 395 V CB 1.296 33.129 31.823 0.016 0.000 0.982 395 V HN 0.761 nan 8.190 nan 0.000 0.443 396 I N 4.073 124.659 120.570 0.028 0.000 2.410 396 I HA 0.503 4.673 4.170 -0.001 0.000 0.286 396 I C 1.014 177.131 176.117 -0.000 0.000 1.009 396 I CA -0.305 61.002 61.300 0.011 0.000 1.111 396 I CB 1.750 39.766 38.000 0.027 0.000 1.262 396 I HN 0.727 nan 8.210 nan 0.000 0.443 397 G N 5.214 114.006 108.800 -0.013 0.000 2.570 397 G HA2 0.127 4.086 3.960 -0.001 0.000 0.276 397 G HA3 0.127 4.086 3.960 -0.001 0.000 0.276 397 G C -0.021 174.867 174.900 -0.020 0.000 1.346 397 G CA -0.519 44.574 45.100 -0.012 0.000 1.034 397 G HN 0.609 nan 8.290 nan 0.000 0.512 398 N N 0.812 119.503 118.700 -0.014 0.000 2.530 398 N HA 0.121 4.860 4.740 -0.001 0.000 0.277 398 N C 0.349 175.848 175.510 -0.018 0.000 1.168 398 N CA -0.292 52.749 53.050 -0.015 0.000 0.979 398 N CB 0.671 39.154 38.487 -0.007 0.000 1.141 398 N HN 0.594 nan 8.380 nan 0.000 0.459 399 N N -1.607 117.082 118.700 -0.018 0.000 2.741 399 N HA -0.164 4.576 4.740 -0.001 0.000 0.251 399 N C -0.891 174.621 175.510 0.003 0.000 1.112 399 N CA 0.380 53.427 53.050 -0.004 0.000 0.750 399 N CB -1.161 37.327 38.487 0.001 0.000 1.119 399 N HN 0.242 nan 8.380 nan 0.000 0.561 400 V N 1.270 121.161 119.914 -0.038 0.000 2.530 400 V HA 0.245 4.364 4.120 -0.001 0.000 0.282 400 V C 0.304 176.369 176.094 -0.049 0.000 1.048 400 V CA -0.158 62.114 62.300 -0.045 0.000 0.997 400 V CB 0.805 32.566 31.823 -0.103 0.000 0.987 400 V HN 0.173 nan 8.190 nan 0.000 0.477 401 F N 5.316 125.185 119.950 -0.133 0.000 2.332 401 F HA 0.527 5.053 4.527 -0.001 0.000 0.368 401 F C -0.035 175.690 175.800 -0.126 0.000 1.110 401 F CA -0.497 57.427 58.000 -0.126 0.000 1.087 401 F CB 1.189 40.146 39.000 -0.072 0.000 1.235 401 F HN 0.252 nan 8.300 nan 0.000 0.470 402 V N 6.379 126.039 119.914 -0.423 0.000 2.368 402 V HA 0.350 4.470 4.120 -0.001 0.000 0.266 402 V C 0.959 176.910 176.094 -0.238 0.000 1.045 402 V CA -0.631 61.507 62.300 -0.269 0.000 0.899 402 V CB 0.565 32.201 31.823 -0.311 0.000 1.006 402 V HN 0.893 nan 8.190 nan 0.000 0.470 403 G N 3.974 112.748 108.800 -0.043 0.000 2.391 403 G HA2 0.168 4.127 3.960 -0.001 0.000 0.234 403 G HA3 0.168 4.127 3.960 -0.001 0.000 0.234 403 G C 0.386 175.290 174.900 0.006 0.000 1.284 403 G CA -0.211 44.903 45.100 0.024 0.000 0.873 403 G HN 0.693 nan 8.290 nan 0.000 0.549 404 S N 1.144 116.856 115.700 0.020 0.000 2.563 404 S HA 0.036 4.506 4.470 -0.001 0.000 0.284 404 S C 1.154 175.778 174.600 0.040 0.000 1.331 404 S CA 0.001 58.217 58.200 0.028 0.000 1.047 404 S CB 0.379 63.593 63.200 0.023 0.000 0.859 404 S HN 0.805 nan 8.310 nan 0.000 0.514 405 N N 0.656 119.385 118.700 0.048 0.000 2.714 405 N HA -0.160 4.579 4.740 -0.001 0.000 0.250 405 N C -0.662 174.878 175.510 0.050 0.000 1.117 405 N CA 0.769 53.848 53.050 0.048 0.000 0.719 405 N CB -1.269 37.240 38.487 0.036 0.000 1.081 405 N HN 0.478 nan 8.380 nan 0.000 0.557 406 S N -0.774 114.959 115.700 0.056 0.000 2.646 406 S HA 0.597 5.066 4.470 -0.001 0.000 0.276 406 S C 0.296 174.935 174.600 0.064 0.000 1.222 406 S CA -0.280 57.952 58.200 0.053 0.000 1.014 406 S CB 1.671 64.900 63.200 0.048 0.000 0.991 406 S HN 0.193 nan 8.310 nan 0.000 0.533 407 T N 2.823 117.410 114.554 0.056 0.000 2.815 407 T HA 0.428 4.777 4.350 -0.001 0.000 0.289 407 T C -0.679 174.053 174.700 0.053 0.000 1.000 407 T CA -0.488 61.649 62.100 0.061 0.000 0.958 407 T CB 0.368 69.269 68.868 0.056 0.000 0.944 407 T HN 0.305 nan 8.240 nan 0.000 0.442 408 I N 4.483 125.087 120.570 0.057 0.000 2.307 408 I HA 0.387 4.556 4.170 -0.001 0.000 0.289 408 I C 0.051 176.195 176.117 0.044 0.000 1.021 408 I CA -0.880 60.449 61.300 0.047 0.000 1.224 408 I CB 0.731 38.765 38.000 0.057 0.000 1.376 408 I HN 0.631 nan 8.210 nan 0.000 0.470 409 I N 5.617 126.208 120.570 0.036 0.000 2.297 409 I HA 0.365 4.534 4.170 -0.001 0.000 0.291 409 I C 0.897 177.029 176.117 0.025 0.000 1.033 409 I CA -0.454 60.869 61.300 0.039 0.000 1.253 409 I CB 1.280 39.298 38.000 0.030 0.000 1.396 409 I HN 0.619 nan 8.210 nan 0.000 0.476 410 A N 9.605 132.458 122.820 0.055 0.000 2.425 410 A HA 0.453 4.773 4.320 -0.001 0.000 0.242 410 A C -2.260 175.299 177.584 -0.041 0.000 1.077 410 A CA -0.943 51.126 52.037 0.054 0.000 0.781 410 A CB -0.291 18.791 19.000 0.136 0.000 1.020 410 A HN 0.487 nan 8.150 nan 0.000 0.494 411 P HA 0.498 nan 4.420 nan 0.000 0.292 411 P C -0.956 176.311 177.300 -0.055 0.000 1.287 411 P CA -0.098 62.964 63.100 -0.064 0.000 0.800 411 P CB 1.352 32.989 31.700 -0.105 0.000 0.945 412 V N 2.462 122.367 119.914 -0.015 0.000 3.178 412 V HA 0.400 4.519 4.120 -0.001 0.000 0.302 412 V C -0.650 175.444 176.094 -0.000 0.000 1.262 412 V CA -0.645 61.648 62.300 -0.013 0.000 1.030 412 V CB 2.705 34.523 31.823 -0.007 0.000 1.074 412 V HN 0.631 nan 8.190 nan 0.000 0.438 413 E N 2.358 122.557 120.200 -0.003 0.000 2.246 413 E HA 0.606 4.955 4.350 -0.001 0.000 0.266 413 E C -1.874 174.725 176.600 -0.002 0.000 0.880 413 E CA -0.624 55.776 56.400 0.001 0.000 0.762 413 E CB 1.803 31.502 29.700 -0.000 0.000 1.180 413 E HN 0.618 nan 8.360 nan 0.000 0.416 414 L N 4.197 125.418 121.223 -0.003 0.000 2.276 414 L HA 0.482 4.821 4.340 -0.001 0.000 0.286 414 L C 0.849 177.712 176.870 -0.011 0.000 1.024 414 L CA -0.833 54.001 54.840 -0.010 0.000 0.826 414 L CB 1.333 43.380 42.059 -0.020 0.000 1.211 414 L HN 0.641 nan 8.230 nan 0.000 0.422 415 G N 1.799 110.594 108.800 -0.009 0.000 2.636 415 G HA2 0.070 4.029 3.960 -0.001 0.000 0.246 415 G HA3 0.070 4.029 3.960 -0.001 0.000 0.246 415 G C -0.231 174.663 174.900 -0.010 0.000 1.216 415 G CA -0.614 44.482 45.100 -0.008 0.000 0.854 415 G HN 0.567 nan 8.290 nan 0.000 0.572 416 D N 0.547 120.942 120.400 -0.009 0.000 2.506 416 D HA -0.049 4.590 4.640 -0.001 0.000 0.234 416 D C 0.971 177.266 176.300 -0.008 0.000 1.143 416 D CA 0.575 54.570 54.000 -0.009 0.000 0.871 416 D CB 0.327 41.123 40.800 -0.007 0.000 1.190 416 D HN 0.520 nan 8.370 nan 0.000 0.459 417 N N -0.166 118.530 118.700 -0.007 0.000 2.713 417 N HA -0.206 4.533 4.740 -0.001 0.000 0.251 417 N C -0.215 175.297 175.510 0.002 0.000 1.117 417 N CA 0.522 53.571 53.050 -0.002 0.000 0.770 417 N CB -0.907 37.576 38.487 -0.007 0.000 1.137 417 N HN 0.232 nan 8.380 nan 0.000 0.566 418 S N 0.062 115.762 115.700 0.001 0.000 2.600 418 S HA 0.561 5.030 4.470 -0.001 0.000 0.265 418 S C 0.186 174.803 174.600 0.028 0.000 1.325 418 S CA -0.287 57.916 58.200 0.006 0.000 1.002 418 S CB 1.110 64.308 63.200 -0.003 0.000 0.921 418 S HN 0.328 nan 8.310 nan 0.000 0.554 419 L N 2.731 123.975 121.223 0.035 0.000 2.436 419 L HA 0.663 5.003 4.340 -0.001 0.000 0.268 419 L C -1.628 175.280 176.870 0.063 0.000 0.974 419 L CA -0.584 54.303 54.840 0.078 0.000 0.826 419 L CB 1.694 43.790 42.059 0.062 0.000 1.291 419 L HN 0.399 nan 8.230 nan 0.000 0.406 420 V N 4.225 124.187 119.914 0.080 0.000 2.370 420 V HA 0.538 4.658 4.120 -0.001 0.000 0.283 420 V C 0.894 177.037 176.094 0.081 0.000 1.023 420 V CA -0.351 61.981 62.300 0.053 0.000 0.857 420 V CB 1.280 33.117 31.823 0.024 0.000 0.985 420 V HN 0.892 nan 8.190 nan 0.000 0.443 421 G N 3.507 112.344 108.800 0.062 0.000 2.491 421 G HA2 0.439 4.398 3.960 -0.001 0.000 0.238 421 G HA3 0.439 4.398 3.960 -0.001 0.000 0.238 421 G C 0.434 175.372 174.900 0.063 0.000 1.277 421 G CA 0.218 45.357 45.100 0.064 0.000 0.851 421 G HN 1.171 nan 8.290 nan 0.000 0.573 422 A N 0.718 123.581 122.820 0.072 0.000 2.531 422 A HA 0.526 4.845 4.320 -0.001 0.000 0.236 422 A C 1.711 179.320 177.584 0.042 0.000 1.062 422 A CA 1.103 53.176 52.037 0.060 0.000 0.760 422 A CB -0.228 18.811 19.000 0.065 0.000 0.995 422 A HN 2.627 nan 8.150 nan 0.000 0.501 423 G N 1.627 110.450 108.800 0.039 0.000 2.155 423 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.257 423 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.257 423 G C 0.447 175.365 174.900 0.030 0.000 0.983 423 G CA 0.497 45.616 45.100 0.032 0.000 0.676 423 G HN 1.176 nan 8.290 nan 0.000 0.528 424 S N 0.222 115.941 115.700 0.032 0.000 2.565 424 S HA 0.569 5.039 4.470 -0.001 0.000 0.274 424 S C 0.420 175.037 174.600 0.029 0.000 1.309 424 S CA 0.172 58.389 58.200 0.028 0.000 1.043 424 S CB 1.507 64.724 63.200 0.028 0.000 0.939 424 S HN 0.334 nan 8.310 nan 0.000 0.504 425 T N 4.217 118.786 114.554 0.024 0.000 2.853 425 T HA 0.335 4.684 4.350 -0.001 0.000 0.317 425 T C -0.172 174.540 174.700 0.019 0.000 1.059 425 T CA -0.441 61.674 62.100 0.025 0.000 0.954 425 T CB -0.141 68.741 68.868 0.022 0.000 0.994 425 T HN 0.329 nan 8.240 nan 0.000 0.479 426 I N 4.671 125.254 120.570 0.021 0.000 2.312 426 I HA 0.215 4.384 4.170 -0.001 0.000 0.291 426 I C 1.654 177.776 176.117 0.009 0.000 1.031 426 I CA -0.160 61.149 61.300 0.014 0.000 1.293 426 I CB 0.721 38.731 38.000 0.016 0.000 1.403 426 I HN 0.660 nan 8.210 nan 0.000 0.484 427 T N 2.595 117.149 114.554 -0.000 0.000 2.971 427 T HA 0.270 4.619 4.350 -0.001 0.000 0.252 427 T C 0.694 175.381 174.700 -0.022 0.000 1.022 427 T CA -0.060 62.033 62.100 -0.011 0.000 0.980 427 T CB 0.510 69.371 68.868 -0.013 0.000 1.044 427 T HN 0.405 nan 8.240 nan 0.000 0.501 428 K N 1.461 121.851 120.400 -0.016 0.000 2.385 428 K HA 0.488 4.808 4.320 -0.001 0.000 0.248 428 K C -1.304 175.288 176.600 -0.014 0.000 0.955 428 K CA -1.044 55.231 56.287 -0.019 0.000 0.816 428 K CB 1.295 33.785 32.500 -0.017 0.000 1.250 428 K HN 0.007 nan 8.250 nan 0.000 0.434 429 D N 1.133 121.523 120.400 -0.016 0.000 2.478 429 D HA 0.008 4.647 4.640 -0.001 0.000 0.234 429 D C -0.454 175.842 176.300 -0.008 0.000 1.154 429 D CA 0.264 54.258 54.000 -0.011 0.000 0.874 429 D CB 0.646 41.439 40.800 -0.012 0.000 1.198 429 D HN -0.000 nan 8.370 nan 0.000 0.455 430 V N 4.118 124.029 119.914 -0.006 0.000 2.350 430 V HA 0.237 4.356 4.120 -0.001 0.000 0.285 430 V C -2.077 174.014 176.094 -0.005 0.000 1.014 430 V CA -1.655 60.643 62.300 -0.004 0.000 0.831 430 V CB 1.529 33.351 31.823 -0.002 0.000 1.000 430 V HN 0.372 nan 8.190 nan 0.000 0.433 431 P HA 0.139 nan 4.420 nan 0.000 0.268 431 P C -0.008 177.289 177.300 -0.005 0.000 1.208 431 P CA 0.100 63.197 63.100 -0.005 0.000 0.777 431 P CB 0.519 32.216 31.700 -0.005 0.000 0.875 432 A N 2.311 125.128 122.820 -0.005 0.000 2.531 432 A HA 0.042 4.362 4.320 -0.001 0.000 0.236 432 A C 0.912 178.492 177.584 -0.006 0.000 1.062 432 A CA 0.458 52.492 52.037 -0.006 0.000 0.760 432 A CB -0.781 18.216 19.000 -0.006 0.000 0.995 432 A HN 0.786 nan 8.150 nan 0.000 0.501 433 D N -1.617 118.779 120.400 -0.006 0.000 3.077 433 D HA -0.211 4.429 4.640 -0.001 0.000 0.217 433 D C 0.428 176.724 176.300 -0.008 0.000 1.162 433 D CA 1.671 55.667 54.000 -0.008 0.000 0.943 433 D CB -1.589 39.206 40.800 -0.009 0.000 1.122 433 D HN 1.076 nan 8.370 nan 0.000 0.413 434 A N 0.213 123.030 122.820 -0.005 0.000 2.269 434 A HA 0.771 5.090 4.320 -0.001 0.000 0.327 434 A C 0.426 178.009 177.584 -0.001 0.000 1.112 434 A CA -0.613 51.422 52.037 -0.004 0.000 0.865 434 A CB 1.018 20.016 19.000 -0.004 0.000 1.227 434 A HN 0.319 nan 8.150 nan 0.000 0.498 435 I N -2.425 118.145 120.570 -0.000 0.000 2.569 435 I HA 0.831 5.000 4.170 -0.001 0.000 0.296 435 I C -0.259 175.862 176.117 0.007 0.000 1.028 435 I CA -0.906 60.397 61.300 0.006 0.000 1.082 435 I CB 2.224 40.225 38.000 0.002 0.000 1.264 435 I HN 0.623 nan 8.210 nan 0.000 0.429 436 A N 7.285 130.113 122.820 0.014 0.000 2.335 436 A HA 0.875 5.194 4.320 -0.001 0.000 0.304 436 A C -0.830 176.764 177.584 0.017 0.000 1.118 436 A CA -0.544 51.501 52.037 0.012 0.000 0.757 436 A CB 0.853 19.859 19.000 0.010 0.000 1.188 436 A HN 0.746 nan 8.150 nan 0.000 0.460 437 I N 1.357 121.935 120.570 0.013 0.000 2.647 437 I HA 0.691 4.860 4.170 -0.001 0.000 0.295 437 I C 0.575 176.699 176.117 0.012 0.000 1.078 437 I CA -0.688 60.621 61.300 0.015 0.000 1.048 437 I CB 2.839 40.846 38.000 0.013 0.000 1.239 437 I HN 0.789 nan 8.210 nan 0.000 0.421 438 G N 5.254 114.062 108.800 0.013 0.000 4.836 438 G HA2 0.303 4.262 3.960 -0.001 0.000 0.222 438 G HA3 0.303 4.262 3.960 -0.001 0.000 0.222 438 G C -0.506 174.401 174.900 0.011 0.000 1.332 438 G CA -0.559 44.547 45.100 0.010 0.000 0.606 438 G HN 0.673 nan 8.290 nan 0.000 0.357 439 R N -0.620 119.887 120.500 0.011 0.000 3.228 439 R HA 0.907 5.246 4.340 -0.001 0.000 0.229 439 R C 0.070 176.374 176.300 0.006 0.000 1.583 439 R CA -0.626 55.480 56.100 0.010 0.000 1.035 439 R CB 0.585 30.893 30.300 0.013 0.000 1.696 439 R HN 0.216 nan 8.270 nan 0.000 0.523 440 G N 0.109 108.911 108.800 0.004 0.000 2.432 440 G HA2 0.515 4.474 3.960 -0.001 0.000 0.331 440 G HA3 0.515 4.474 3.960 -0.001 0.000 0.331 440 G C -0.937 173.962 174.900 -0.002 0.000 1.170 440 G CA -1.129 43.971 45.100 -0.000 0.000 0.943 440 G HN 0.334 nan 8.290 nan 0.000 0.483 441 R N 0.355 120.852 120.500 -0.005 0.000 2.490 441 R HA 0.227 4.567 4.340 -0.001 0.000 0.278 441 R C 0.183 176.476 176.300 -0.012 0.000 1.069 441 R CA -0.441 55.655 56.100 -0.007 0.000 1.080 441 R CB 1.187 31.482 30.300 -0.009 0.000 1.030 441 R HN 0.603 nan 8.270 nan 0.000 0.491 442 Q N 2.580 122.373 119.800 -0.012 0.000 2.286 442 Q HA 0.245 4.585 4.340 -0.001 0.000 0.257 442 Q C -0.941 175.044 176.000 -0.025 0.000 0.941 442 Q CA 0.006 55.799 55.803 -0.017 0.000 0.912 442 Q CB 0.679 29.409 28.738 -0.013 0.000 1.192 442 Q HN 0.507 nan 8.270 nan 0.000 0.410 443 I N 4.212 124.760 120.570 -0.036 0.000 2.439 443 I HA 0.290 4.460 4.170 -0.001 0.000 0.283 443 I C -0.897 175.179 176.117 -0.069 0.000 1.023 443 I CA -0.959 60.310 61.300 -0.052 0.000 1.100 443 I CB 1.620 39.584 38.000 -0.061 0.000 1.238 443 I HN 0.555 nan 8.210 nan 0.000 0.445 444 N N 6.483 125.146 118.700 -0.063 0.000 2.479 444 N HA 0.353 5.092 4.740 -0.001 0.000 0.285 444 N C -0.636 174.810 175.510 -0.107 0.000 1.075 444 N CA -0.459 52.550 53.050 -0.067 0.000 0.967 444 N CB 1.552 40.018 38.487 -0.034 0.000 1.137 444 N HN 0.336 nan 8.380 nan 0.000 0.472 445 K N 1.759 122.068 120.400 -0.152 0.000 2.507 445 K HA 0.267 4.587 4.320 -0.001 0.000 0.253 445 K C -0.839 175.759 176.600 -0.003 0.000 0.969 445 K CA -0.626 55.505 56.287 -0.259 0.000 0.908 445 K CB 1.570 33.576 32.500 -0.822 0.000 1.127 445 K HN 0.438 nan 8.250 nan 0.000 0.437 446 D N 2.321 122.780 120.400 0.099 0.000 2.400 446 D HA -0.084 4.556 4.640 -0.001 0.000 0.238 446 D C 0.996 177.453 176.300 0.261 0.000 1.157 446 D CA 0.638 54.726 54.000 0.147 0.000 0.889 446 D CB 0.688 41.546 40.800 0.097 0.000 1.199 446 D HN 0.626 nan 8.370 nan 0.000 0.436 447 E N -0.242 120.047 120.200 0.148 0.000 2.885 447 E HA -0.358 3.992 4.350 -0.001 0.000 0.267 447 E C -0.075 176.571 176.600 0.076 0.000 1.100 447 E CA 1.169 57.622 56.400 0.088 0.000 0.779 447 E CB -1.710 28.007 29.700 0.028 0.000 1.383 447 E HN 0.544 nan 8.360 nan 0.000 0.443 448 Y N -0.479 119.822 120.300 0.001 0.000 2.448 448 Y HA 0.332 4.881 4.550 -0.001 0.000 0.289 448 Y C 2.732 178.633 175.900 0.001 0.000 1.114 448 Y CA 0.946 59.047 58.100 0.001 0.000 1.235 448 Y CB 0.109 38.569 38.460 0.001 0.000 1.045 448 Y HN 0.356 nan 8.280 nan 0.000 0.554 449 A N -1.019 121.888 122.820 0.145 0.000 2.239 449 A HA -0.045 4.275 4.320 -0.001 0.000 0.209 449 A C 1.908 179.517 177.584 0.043 0.000 1.171 449 A CA 1.527 53.612 52.037 0.080 0.000 0.768 449 A CB -0.842 18.194 19.000 0.061 0.000 0.790 449 A HN 0.335 nan 8.150 nan 0.000 0.478 450 T N -0.318 114.252 114.554 0.027 0.000 3.014 450 T HA -0.005 4.344 4.350 -0.001 0.000 0.263 450 T C 1.544 176.237 174.700 -0.012 0.000 1.078 450 T CA 0.805 62.905 62.100 0.000 0.000 1.135 450 T CB -0.081 68.777 68.868 -0.017 0.000 0.895 450 T HN 0.559 nan 8.240 nan 0.000 0.480 451 R N 0.518 121.007 120.500 -0.018 0.000 2.449 451 R HA 0.408 4.747 4.340 -0.001 0.000 0.262 451 R C -0.154 176.148 176.300 0.002 0.000 1.006 451 R CA 0.000 56.086 56.100 -0.024 0.000 1.104 451 R CB -0.025 30.239 30.300 -0.059 0.000 1.206 451 R HN 0.309 nan 8.270 nan 0.000 0.538 452 L N 0.000 121.231 121.223 0.014 0.000 2.949 452 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 452 L CA 0.000 54.851 54.840 0.019 0.000 0.813 452 L CB 0.000 42.078 42.059 0.032 0.000 0.961 452 L HN 0.000 nan 8.230 nan 0.000 0.502