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 2deb_1_A DATA FIRST_RESID 32 DATA SEQUENCE DDYLQHSIVP TXHYQDSLPR LPIPKLEDTX KRYLNAQKPL LDDSQFRRTE DATA SEQUENCE ALCKNFETGV GKELHAHLLA QDKQNKHTSY ISGPWFDXYL TARDSIVLNF DATA SEQUENCE NPFXAFNPDP KSEYNDQLTR ATNLTVSAVR FLKTLQAGLL EPEVFHLNPS DATA SEQUENCE KSDTDAFKRL IRFVPPSLSW YGAYLVNAYP LDXSQYFRLF NSTRIPRPNR DATA SEQUENCE DELFTDTKAR HLLVLRKGHF YVFDVLDQDG NIVNPLEIQA HLKYILSDSS DATA SEQUENCE PVPEFPVAYL TSENRDVWAE LRQKLIFDGN EETLKKVDSA VFCLCLDDFP DATA SEQUENCE XKDLIHLSHT XLHGDGTNRW FDKSFNLIVA EDGTAAVHFE HSWGDGVAVL DATA SEQUENCE RFFNEVFRDS TQTPAITPQS QPAATNSSAS VETLSFNLSG ALKAGITAAK DATA SEQUENCE EKFDTTVKTL SIDSIQFQRG GKEFLKKKQL SPDAVAQLAF QXAFLRQYGQ DATA SEQUENCE TVATYESCST AAFKHGRTET IRPASIFTKR CSEAFVRDPS KHSVGELQHX DATA SEQUENCE XAECSKYHGQ LTKEAAXGQG FDRHLYALRY LATARGLNLP ELYLDPAYQQ DATA SEQUENCE XNHNILSTST LNSPAVSLGG FAPVVPDGFG IAYAVHDDWI GCNVSSYSGR DATA SEQUENCE NAREFLHCVQ KCLEDIFDAL EGKAIKT 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 32 D HA 0.000 nan 4.640 nan 0.000 0.175 32 D C 0.000 176.287 176.300 -0.022 0.000 2.045 32 D CA 0.000 54.047 54.000 0.078 0.000 0.868 32 D CB 0.000 40.935 40.800 0.225 0.000 0.688 33 D N -0.951 119.299 120.400 -0.251 0.000 2.395 33 D HA 0.121 4.761 4.640 -0.000 0.000 0.226 33 D C -0.459 175.540 176.300 -0.501 0.000 1.146 33 D CA 0.338 54.126 54.000 -0.354 0.000 0.830 33 D CB 0.086 40.653 40.800 -0.389 0.000 0.958 33 D HN 0.182 nan 8.370 nan 0.000 0.501 34 Y N 0.284 120.576 120.300 -0.013 0.000 2.429 34 Y HA 0.177 4.727 4.550 -0.000 0.000 0.342 34 Y C 0.968 176.785 175.900 -0.140 0.000 1.004 34 Y CA -1.154 56.863 58.100 -0.138 0.000 1.075 34 Y CB 1.286 39.556 38.460 -0.318 0.000 1.214 34 Y HN -0.235 nan 8.280 nan 0.000 0.455 35 L N -0.943 120.296 121.223 0.026 0.000 2.640 35 L HA 0.459 4.799 4.340 -0.000 0.000 0.230 35 L C -0.029 176.840 176.870 -0.002 0.000 1.123 35 L CA 0.013 54.875 54.840 0.037 0.000 0.900 35 L CB -0.451 41.650 42.059 0.069 0.000 1.146 35 L HN 0.648 nan 8.230 nan 0.000 0.484 36 Q N -0.834 118.865 119.800 -0.168 0.000 2.472 36 Q HA 0.436 4.776 4.340 -0.000 0.000 0.281 36 Q C -1.431 174.308 176.000 -0.434 0.000 0.997 36 Q CA -0.553 55.169 55.803 -0.134 0.000 0.828 36 Q CB 1.515 30.215 28.738 -0.064 0.000 1.443 36 Q HN 0.404 nan 8.270 nan 0.000 0.390 37 H N -0.051 119.009 119.070 -0.017 0.000 2.511 37 H HA 0.295 4.850 4.556 -0.000 0.000 0.228 37 H C -0.942 174.349 175.328 -0.061 0.000 1.424 37 H CA -0.279 55.736 56.048 -0.054 0.000 1.321 37 H CB 1.367 31.113 29.762 -0.027 0.000 1.720 37 H HN 0.326 nan 8.280 nan 0.000 0.512 38 S N 1.397 117.085 115.700 -0.019 0.000 2.516 38 S HA 0.042 4.512 4.470 -0.000 0.000 0.282 38 S C 1.738 176.300 174.600 -0.063 0.000 1.286 38 S CA -0.477 57.708 58.200 -0.026 0.000 1.066 38 S CB 0.135 63.313 63.200 -0.037 0.000 0.884 38 S HN 0.667 nan 8.310 nan 0.000 0.491 39 I N 3.697 124.227 120.570 -0.067 0.000 2.761 39 I HA 0.186 4.356 4.170 -0.000 0.000 0.261 39 I C 0.050 176.046 176.117 -0.202 0.000 1.198 39 I CA 0.183 61.409 61.300 -0.123 0.000 1.482 39 I CB -0.089 37.843 38.000 -0.113 0.000 1.100 39 I HN 0.257 nan 8.210 nan 0.000 0.445 40 V N 4.014 123.818 119.914 -0.182 0.000 2.432 40 V HA 0.312 4.431 4.120 -0.000 0.000 0.271 40 V C -2.139 173.828 176.094 -0.212 0.000 1.046 40 V CA -1.506 60.625 62.300 -0.281 0.000 0.945 40 V CB 0.241 31.950 31.823 -0.189 0.000 0.992 40 V HN 0.091 nan 8.190 nan 0.000 0.471 41 P HA 0.070 nan 4.420 nan 0.000 0.264 41 P C 0.583 177.854 177.300 -0.049 0.000 1.183 41 P CA 0.265 63.288 63.100 -0.129 0.000 0.763 41 P CB 0.179 31.821 31.700 -0.097 0.000 0.807 45 Y N 1.235 121.562 120.300 0.046 0.000 2.462 45 Y HA 0.186 4.736 4.550 -0.000 0.000 0.261 45 Y C 2.013 177.936 175.900 0.039 0.000 1.146 45 Y CA 0.376 58.500 58.100 0.041 0.000 1.283 45 Y CB 0.482 39.022 38.460 0.134 0.000 1.090 45 Y HN 0.158 nan 8.280 nan 0.000 0.526 46 Q N 0.373 120.258 119.800 0.142 0.000 2.124 46 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 46 Q C 1.073 177.103 176.000 0.050 0.000 0.977 46 Q CA 1.392 57.257 55.803 0.103 0.000 0.850 46 Q CB -0.231 28.563 28.738 0.093 0.000 0.901 46 Q HN 0.487 nan 8.270 nan 0.000 0.429 47 D N 0.010 120.427 120.400 0.029 0.000 2.269 47 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 47 D C 1.282 177.589 176.300 0.012 0.000 0.963 47 D CA 1.140 55.147 54.000 0.012 0.000 0.864 47 D CB 0.092 40.895 40.800 0.005 0.000 0.936 47 D HN 0.261 nan 8.370 nan 0.000 0.505 48 S N -0.753 114.969 115.700 0.036 0.000 2.593 48 S HA 0.218 4.688 4.470 -0.000 0.000 0.236 48 S C 0.732 175.217 174.600 -0.191 0.000 0.991 48 S CA -0.494 57.720 58.200 0.024 0.000 0.963 48 S CB -0.049 63.260 63.200 0.183 0.000 0.865 48 S HN 0.022 nan 8.310 nan 0.000 0.488 49 L N 3.409 124.515 121.223 -0.196 0.000 2.485 49 L HA 0.262 4.602 4.340 -0.000 0.000 0.275 49 L C -1.917 174.613 176.870 -0.567 0.000 1.207 49 L CA -1.540 53.032 54.840 -0.448 0.000 0.855 49 L CB -0.057 41.894 42.059 -0.179 0.000 1.114 49 L HN 0.110 nan 8.230 nan 0.000 0.485 50 P HA 0.109 nan 4.420 nan 0.000 0.272 50 P C -0.910 176.329 177.300 -0.101 0.000 1.223 50 P CA -0.369 62.399 63.100 -0.553 0.000 0.784 50 P CB 0.548 31.834 31.700 -0.689 0.000 0.923 51 R N 0.968 121.426 120.500 -0.070 0.000 2.543 51 R HA 0.236 4.576 4.340 -0.000 0.000 0.277 51 R C 0.209 176.460 176.300 -0.081 0.000 1.074 51 R CA -0.879 55.194 56.100 -0.044 0.000 1.076 51 R CB -0.058 30.191 30.300 -0.085 0.000 0.993 51 R HN 0.407 nan 8.270 nan 0.000 0.459 52 L N 5.186 126.311 121.223 -0.164 0.000 2.477 52 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 52 L C -2.171 174.461 176.870 -0.396 0.000 1.157 52 L CA -1.352 53.188 54.840 -0.501 0.000 0.889 52 L CB 0.207 42.122 42.059 -0.240 0.000 1.158 52 L HN 0.446 nan 8.230 nan 0.000 0.473 53 P HA 0.219 nan 4.420 nan 0.000 0.272 53 P C -0.896 176.237 177.300 -0.278 0.000 1.223 53 P CA 0.112 63.005 63.100 -0.345 0.000 0.784 53 P CB 0.501 31.999 31.700 -0.336 0.000 0.923 54 I N 3.501 123.867 120.570 -0.339 0.000 2.378 54 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 54 I C -2.029 173.875 176.117 -0.356 0.000 0.992 54 I CA -2.535 58.444 61.300 -0.535 0.000 1.154 54 I CB 1.453 39.018 38.000 -0.725 0.000 1.315 54 I HN 0.190 nan 8.210 nan 0.000 0.448 55 P HA 0.119 nan 4.420 nan 0.000 0.271 55 P C -0.796 176.486 177.300 -0.029 0.000 1.233 55 P CA -0.473 62.551 63.100 -0.127 0.000 0.789 55 P CB 0.449 32.154 31.700 0.008 0.000 0.951 56 K N 0.982 121.394 120.400 0.021 0.000 2.382 56 K HA 0.014 4.334 4.320 -0.000 0.000 0.275 56 K C 1.120 177.716 176.600 -0.008 0.000 1.009 56 K CA -0.423 55.875 56.287 0.018 0.000 0.970 56 K CB 0.146 32.652 32.500 0.010 0.000 0.934 56 K HN 0.297 nan 8.250 nan 0.000 0.479 57 L N 4.249 125.336 121.223 -0.227 0.000 2.083 57 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 57 L C 2.232 179.056 176.870 -0.077 0.000 1.083 57 L CA 1.848 56.549 54.840 -0.232 0.000 0.752 57 L CB -0.548 41.222 42.059 -0.481 0.000 0.899 57 L HN 0.813 nan 8.230 nan 0.000 0.433 58 E N -1.608 118.556 120.200 -0.060 0.000 2.130 58 E HA -0.274 4.076 4.350 -0.000 0.000 0.196 58 E C 1.467 178.076 176.600 0.015 0.000 0.998 58 E CA 1.670 58.060 56.400 -0.017 0.000 0.806 58 E CB -0.550 29.142 29.700 -0.013 0.000 0.738 58 E HN 0.470 nan 8.360 nan 0.000 0.459 59 D N 0.932 121.351 120.400 0.031 0.000 2.123 59 D HA -0.032 4.608 4.640 -0.000 0.000 0.200 59 D C 0.793 177.148 176.300 0.092 0.000 0.976 59 D CA 1.179 55.213 54.000 0.057 0.000 0.831 59 D CB -0.591 40.244 40.800 0.059 0.000 0.974 59 D HN 0.127 nan 8.370 nan 0.000 0.469 63 R N 0.400 120.906 120.500 0.011 0.000 2.075 63 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 63 R C 2.088 178.179 176.300 -0.348 0.000 1.126 63 R CA 1.735 57.836 56.100 0.001 0.000 0.963 63 R CB -0.297 30.122 30.300 0.199 0.000 0.858 63 R HN 0.168 nan 8.270 nan 0.000 0.435 64 Y N 1.597 121.435 120.300 -0.770 0.000 2.128 64 Y HA -0.209 4.341 4.550 -0.000 0.000 0.284 64 Y C 1.805 177.384 175.900 -0.535 0.000 1.154 64 Y CA 1.505 58.880 58.100 -1.207 0.000 1.149 64 Y CB -0.336 37.708 38.460 -0.692 0.000 0.976 64 Y HN -0.050 nan 8.280 nan 0.000 0.505 65 L N -0.002 121.030 121.223 -0.318 0.000 2.093 65 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 65 L C 2.186 179.048 176.870 -0.014 0.000 1.085 65 L CA 1.260 55.989 54.840 -0.184 0.000 0.755 65 L CB -0.663 41.373 42.059 -0.038 0.000 0.904 65 L HN 0.227 nan 8.230 nan 0.000 0.435 66 N N 0.453 119.124 118.700 -0.050 0.000 2.104 66 N HA -0.175 4.564 4.740 -0.000 0.000 0.190 66 N C 1.816 177.305 175.510 -0.034 0.000 1.024 66 N CA 1.632 54.668 53.050 -0.023 0.000 0.853 66 N CB -0.291 38.216 38.487 0.033 0.000 1.008 66 N HN 0.328 nan 8.380 nan 0.000 0.424 67 A N 0.591 123.371 122.820 -0.066 0.000 2.014 67 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 67 A C 2.040 179.595 177.584 -0.049 0.000 1.163 67 A CA 0.859 52.901 52.037 0.009 0.000 0.652 67 A CB -0.120 18.974 19.000 0.157 0.000 0.808 67 A HN 0.165 nan 8.150 nan 0.000 0.449 68 Q N -0.455 119.259 119.800 -0.143 0.000 2.245 68 Q HA -0.089 4.251 4.340 -0.000 0.000 0.201 68 Q C 1.885 177.906 176.000 0.035 0.000 0.955 68 Q CA 1.290 57.039 55.803 -0.089 0.000 0.870 68 Q CB -0.167 28.442 28.738 -0.215 0.000 0.945 68 Q HN 0.627 nan 8.270 nan 0.000 0.461 69 K N 1.322 121.716 120.400 -0.009 0.000 2.044 69 K HA -0.141 4.179 4.320 -0.000 0.000 0.210 69 K C -0.833 175.676 176.600 -0.151 0.000 1.049 69 K CA 1.532 57.685 56.287 -0.224 0.000 0.927 69 K CB -0.972 31.326 32.500 -0.336 0.000 0.713 69 K HN 0.150 nan 8.250 nan 0.000 0.443 70 P HA -0.100 nan 4.420 nan 0.000 0.226 70 P C 0.871 178.165 177.300 -0.009 0.000 1.153 70 P CA 1.171 64.244 63.100 -0.045 0.000 0.777 70 P CB 0.108 31.796 31.700 -0.021 0.000 0.794 71 L N -1.973 119.250 121.223 -0.000 0.000 2.408 71 L HA 0.178 4.518 4.340 -0.000 0.000 0.215 71 L C 1.283 178.169 176.870 0.027 0.000 1.081 71 L CA 0.272 55.123 54.840 0.018 0.000 0.840 71 L CB -0.134 41.934 42.059 0.016 0.000 1.002 71 L HN -0.098 nan 8.230 nan 0.000 0.468 72 L N 0.251 121.496 121.223 0.037 0.000 2.331 72 L HA 0.287 4.626 4.340 -0.000 0.000 0.275 72 L C -0.532 176.366 176.870 0.048 0.000 1.022 72 L CA -1.074 53.803 54.840 0.061 0.000 0.812 72 L CB 1.573 43.708 42.059 0.126 0.000 1.257 72 L HN 0.056 nan 8.230 nan 0.000 0.435 73 D N -0.728 119.702 120.400 0.049 0.000 2.371 73 D HA 0.004 4.644 4.640 -0.000 0.000 0.242 73 D C 0.400 176.739 176.300 0.064 0.000 1.218 73 D CA -0.410 53.612 54.000 0.038 0.000 0.945 73 D CB 0.728 41.547 40.800 0.033 0.000 1.137 73 D HN 0.383 nan 8.370 nan 0.000 0.464 74 D N -0.238 120.186 120.400 0.041 0.000 2.133 74 D HA -0.212 4.428 4.640 -0.000 0.000 0.195 74 D C 1.800 178.165 176.300 0.107 0.000 0.997 74 D CA 1.521 55.559 54.000 0.063 0.000 0.840 74 D CB -0.477 40.340 40.800 0.027 0.000 0.947 74 D HN 0.405 nan 8.370 nan 0.000 0.452 75 S N -0.141 115.601 115.700 0.069 0.000 2.356 75 S HA -0.182 4.288 4.470 -0.000 0.000 0.223 75 S C 1.883 176.517 174.600 0.056 0.000 1.032 75 S CA 1.239 59.472 58.200 0.055 0.000 1.005 75 S CB -0.053 63.168 63.200 0.034 0.000 0.867 75 S HN 0.245 nan 8.310 nan 0.000 0.449 76 Q N -0.755 119.082 119.800 0.062 0.000 2.084 76 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 76 Q C 1.903 177.932 176.000 0.049 0.000 0.978 76 Q CA 1.759 57.590 55.803 0.046 0.000 0.844 76 Q CB -0.326 28.441 28.738 0.048 0.000 0.898 76 Q HN 0.682 nan 8.270 nan 0.000 0.426 77 F N 1.389 121.316 119.950 -0.040 0.000 2.102 77 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 77 F C 2.189 177.961 175.800 -0.046 0.000 1.105 77 F CA 1.399 59.364 58.000 -0.058 0.000 1.239 77 F CB 0.061 39.024 39.000 -0.061 0.000 0.991 77 F HN -0.133 nan 8.300 nan 0.000 0.474 78 R N -0.148 120.403 120.500 0.086 0.000 2.091 78 R HA -0.211 4.129 4.340 -0.000 0.000 0.238 78 R C 2.462 178.704 176.300 -0.097 0.000 1.136 78 R CA 1.725 57.820 56.100 -0.009 0.000 0.959 78 R CB -0.490 29.844 30.300 0.056 0.000 0.856 78 R HN 0.308 nan 8.270 nan 0.000 0.437 79 R N 0.179 120.636 120.500 -0.073 0.000 2.073 79 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 79 R C 1.841 178.067 176.300 -0.124 0.000 1.134 79 R CA 1.975 58.031 56.100 -0.074 0.000 0.952 79 R CB -0.214 30.062 30.300 -0.040 0.000 0.850 79 R HN 0.105 nan 8.270 nan 0.000 0.433 80 T N 0.530 114.972 114.554 -0.186 0.000 2.821 80 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 80 T C 1.510 176.041 174.700 -0.282 0.000 1.046 80 T CA 1.496 63.466 62.100 -0.218 0.000 1.139 80 T CB -0.157 68.551 68.868 -0.267 0.000 0.871 80 T HN 0.429 nan 8.240 nan 0.000 0.454 81 E N 0.795 120.733 120.200 -0.438 0.000 2.085 81 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 81 E C 2.354 178.848 176.600 -0.176 0.000 0.994 81 E CA 1.100 57.275 56.400 -0.374 0.000 0.801 81 E CB -0.182 29.272 29.700 -0.410 0.000 0.743 81 E HN 0.490 nan 8.360 nan 0.000 0.453 82 A N 0.675 123.414 122.820 -0.135 0.000 1.898 82 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 82 A C 2.162 179.710 177.584 -0.061 0.000 1.181 82 A CA 0.971 52.963 52.037 -0.076 0.000 0.620 82 A CB -0.555 18.410 19.000 -0.057 0.000 0.819 82 A HN 0.285 nan 8.150 nan 0.000 0.442 83 L N -0.912 120.266 121.223 -0.075 0.000 2.093 83 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 83 L C 2.670 179.512 176.870 -0.046 0.000 1.085 83 L CA 1.050 55.852 54.840 -0.062 0.000 0.755 83 L CB -0.645 41.360 42.059 -0.089 0.000 0.904 83 L HN 0.481 nan 8.230 nan 0.000 0.435 84 C N -0.072 119.191 119.300 -0.062 0.000 2.429 84 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 84 C C 2.821 177.827 174.990 0.026 0.000 1.262 84 C CA 0.683 59.687 59.018 -0.024 0.000 1.733 84 C CB -0.609 27.110 27.740 -0.036 0.000 2.010 84 C HN 0.426 nan 8.230 nan 0.000 0.483 85 K N 0.809 121.203 120.400 -0.010 0.000 2.026 85 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 85 K C 1.749 178.352 176.600 0.006 0.000 1.048 85 K CA 1.516 57.800 56.287 -0.006 0.000 0.929 85 K CB -0.272 32.215 32.500 -0.020 0.000 0.713 85 K HN 0.465 nan 8.250 nan 0.000 0.439 86 N N 0.625 119.332 118.700 0.011 0.000 2.120 86 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 86 N C 1.598 177.129 175.510 0.035 0.000 1.024 86 N CA 0.990 54.048 53.050 0.013 0.000 0.852 86 N CB -0.423 38.070 38.487 0.010 0.000 1.003 86 N HN 0.095 nan 8.380 nan 0.000 0.424 87 F N 1.987 121.875 119.950 -0.104 0.000 2.102 87 F HA -0.109 4.418 4.527 0.000 0.000 0.298 87 F C 2.401 178.140 175.800 -0.102 0.000 1.105 87 F CA 1.424 59.350 58.000 -0.124 0.000 1.239 87 F CB -0.198 38.686 39.000 -0.193 0.000 0.991 87 F HN 0.082 nan 8.300 nan 0.000 0.474 88 E N -0.794 119.408 120.200 0.003 0.000 2.204 88 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 88 E C 1.829 178.356 176.600 -0.122 0.000 0.989 88 E CA 1.569 57.918 56.400 -0.085 0.000 0.824 88 E CB -0.115 29.578 29.700 -0.010 0.000 0.756 88 E HN 0.542 nan 8.360 nan 0.000 0.477 89 T N -3.638 110.862 114.554 -0.090 0.000 3.044 89 T HA 0.258 4.608 4.350 -0.000 0.000 0.250 89 T C 1.013 175.658 174.700 -0.093 0.000 1.081 89 T CA 0.267 62.321 62.100 -0.076 0.000 1.040 89 T CB 0.947 69.788 68.868 -0.045 0.000 0.962 89 T HN 0.137 nan 8.240 nan 0.000 0.506 90 G N 0.636 109.357 108.800 -0.132 0.000 3.069 90 G HA2 0.373 4.333 3.960 -0.000 0.000 0.205 90 G HA3 0.373 4.333 3.960 -0.000 0.000 0.205 90 G C 0.927 175.714 174.900 -0.190 0.000 1.771 90 G CA 0.301 45.327 45.100 -0.123 0.000 0.739 90 G HN 0.086 nan 8.290 nan 0.000 0.784 91 V N 1.566 121.363 119.914 -0.196 0.000 2.407 91 V HA 0.003 4.123 4.120 -0.000 0.000 0.248 91 V C 2.777 178.620 176.094 -0.419 0.000 1.055 91 V CA 3.124 65.299 62.300 -0.208 0.000 1.049 91 V CB -0.719 31.052 31.823 -0.086 0.000 0.662 91 V HN 0.603 nan 8.190 nan 0.000 0.455 92 G N -0.945 107.267 108.800 -0.981 0.000 2.418 92 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.217 92 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.217 92 G C 1.646 176.174 174.900 -0.620 0.000 1.158 92 G CA 1.007 45.160 45.100 -1.578 0.000 0.771 92 G HN 0.518 nan 8.290 nan 0.000 0.545 93 K N 0.148 120.297 120.400 -0.419 0.000 2.063 93 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 93 K C 2.390 178.949 176.600 -0.068 0.000 1.048 93 K CA 1.473 57.657 56.287 -0.171 0.000 0.928 93 K CB -0.052 32.370 32.500 -0.130 0.000 0.713 93 K HN 0.172 nan 8.250 nan 0.000 0.442 94 E N 0.818 120.955 120.200 -0.104 0.000 2.072 94 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 94 E C 2.179 178.779 176.600 -0.000 0.000 0.985 94 E CA 0.835 57.210 56.400 -0.041 0.000 0.801 94 E CB -0.248 29.418 29.700 -0.057 0.000 0.750 94 E HN 0.347 nan 8.360 nan 0.000 0.452 95 L N 0.250 121.452 121.223 -0.036 0.000 2.079 95 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 95 L C 2.630 179.566 176.870 0.110 0.000 1.081 95 L CA 1.472 56.331 54.840 0.033 0.000 0.752 95 L CB -0.507 41.570 42.059 0.029 0.000 0.896 95 L HN 0.201 nan 8.230 nan 0.000 0.433 96 H N -0.176 118.893 119.070 -0.002 0.000 2.357 96 H HA -0.100 4.456 4.556 -0.000 0.000 0.301 96 H C 2.152 177.499 175.328 0.031 0.000 1.082 96 H CA 1.427 57.505 56.048 0.050 0.000 1.342 96 H CB 0.062 29.848 29.762 0.040 0.000 1.389 96 H HN 0.265 nan 8.280 nan 0.000 0.511 97 A N -0.265 122.579 122.820 0.039 0.000 1.892 97 A HA -0.289 4.030 4.320 -0.000 0.000 0.218 97 A C 2.251 179.808 177.584 -0.045 0.000 1.188 97 A CA 2.174 54.197 52.037 -0.024 0.000 0.631 97 A CB -1.178 17.838 19.000 0.027 0.000 0.822 97 A HN 0.731 nan 8.150 nan 0.000 0.447 98 H N -1.282 117.751 119.070 -0.061 0.000 2.389 98 H HA -0.021 4.535 4.556 -0.000 0.000 0.299 98 H C 1.816 177.108 175.328 -0.060 0.000 1.081 98 H CA 1.525 57.545 56.048 -0.047 0.000 1.345 98 H CB -0.110 29.639 29.762 -0.021 0.000 1.393 98 H HN 0.345 nan 8.280 nan 0.000 0.520 99 L N 0.029 121.274 121.223 0.037 0.000 2.042 99 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 99 L C 2.013 178.781 176.870 -0.169 0.000 1.076 99 L CA 1.467 56.288 54.840 -0.033 0.000 0.749 99 L CB -0.498 41.544 42.059 -0.029 0.000 0.893 99 L HN 0.353 nan 8.230 nan 0.000 0.432 100 L N -1.030 120.024 121.223 -0.281 0.000 2.056 100 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 100 L C 2.661 179.415 176.870 -0.193 0.000 1.078 100 L CA 1.166 55.837 54.840 -0.282 0.000 0.749 100 L CB -0.835 41.027 42.059 -0.329 0.000 0.901 100 L HN 0.372 nan 8.230 nan 0.000 0.433 101 A N -0.539 122.164 122.820 -0.195 0.000 1.877 101 A HA -0.299 4.021 4.320 -0.000 0.000 0.216 101 A C 2.250 179.730 177.584 -0.173 0.000 1.186 101 A CA 1.935 53.861 52.037 -0.186 0.000 0.620 101 A CB -0.631 18.225 19.000 -0.240 0.000 0.822 101 A HN 0.492 nan 8.150 nan 0.000 0.443 102 Q N -0.559 119.122 119.800 -0.198 0.000 2.084 102 Q HA -0.274 4.066 4.340 -0.000 0.000 0.202 102 Q C 1.771 177.741 176.000 -0.050 0.000 0.978 102 Q CA 2.083 57.821 55.803 -0.108 0.000 0.844 102 Q CB -0.253 28.457 28.738 -0.047 0.000 0.898 102 Q HN 0.681 nan 8.270 nan 0.000 0.426 103 D N -0.080 120.281 120.400 -0.066 0.000 2.117 103 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 103 D C 1.472 177.740 176.300 -0.054 0.000 0.987 103 D CA 1.418 55.386 54.000 -0.052 0.000 0.829 103 D CB 0.126 40.871 40.800 -0.091 0.000 0.961 103 D HN 0.186 nan 8.370 nan 0.000 0.460 104 K N -0.528 119.831 120.400 -0.069 0.000 2.283 104 K HA -0.077 4.243 4.320 -0.000 0.000 0.202 104 K C 2.065 178.651 176.600 -0.023 0.000 1.048 104 K CA 0.816 57.071 56.287 -0.052 0.000 0.948 104 K CB 0.020 32.482 32.500 -0.065 0.000 0.742 104 K HN 0.339 nan 8.250 nan 0.000 0.458 105 Q N -0.016 119.773 119.800 -0.017 0.000 2.424 105 Q HA 0.069 4.408 4.340 -0.000 0.000 0.204 105 Q C 0.127 176.173 176.000 0.077 0.000 0.933 105 Q CA 0.385 56.199 55.803 0.017 0.000 0.929 105 Q CB 0.476 29.216 28.738 0.002 0.000 1.037 105 Q HN 0.236 nan 8.270 nan 0.000 0.511 106 N N 0.424 119.162 118.700 0.063 0.000 2.644 106 N HA 0.125 4.865 4.740 -0.000 0.000 0.313 106 N C -0.259 175.213 175.510 -0.064 0.000 1.863 106 N CA 0.017 53.119 53.050 0.087 0.000 0.918 106 N CB 0.769 39.271 38.487 0.025 0.000 1.320 106 N HN 0.071 nan 8.380 nan 0.000 0.490 107 K N 0.215 120.643 120.400 0.046 0.000 2.442 107 K HA -0.090 4.230 4.320 -0.000 0.000 0.198 107 K C 1.658 178.236 176.600 -0.036 0.000 1.042 107 K CA 0.740 57.019 56.287 -0.014 0.000 0.958 107 K CB -0.027 32.480 32.500 0.012 0.000 0.766 107 K HN 0.458 nan 8.250 nan 0.000 0.474 108 H N -1.232 117.817 119.070 -0.034 0.000 2.547 108 H HA 0.057 4.613 4.556 -0.000 0.000 0.272 108 H C 0.762 176.006 175.328 -0.140 0.000 0.989 108 H CA 0.683 56.691 56.048 -0.068 0.000 1.214 108 H CB 0.103 29.854 29.762 -0.020 0.000 1.389 108 H HN -0.083 nan 8.280 nan 0.000 0.577 109 T N 0.172 114.407 114.554 -0.532 0.000 2.669 109 T HA 0.451 4.801 4.350 -0.000 0.000 0.283 109 T C -0.767 173.850 174.700 -0.138 0.000 1.019 109 T CA -0.092 61.835 62.100 -0.288 0.000 1.039 109 T CB 1.514 70.297 68.868 -0.140 0.000 1.374 109 T HN 0.454 nan 8.240 nan 0.000 0.523 110 S N 0.024 115.727 115.700 0.005 0.000 2.681 110 S HA 0.402 4.872 4.470 -0.000 0.000 0.299 110 S C 0.829 175.421 174.600 -0.013 0.000 1.113 110 S CA -0.422 57.770 58.200 -0.013 0.000 1.013 110 S CB 0.801 63.978 63.200 -0.038 0.000 1.076 110 S HN 0.902 nan 8.310 nan 0.000 0.534 111 Y N 0.351 120.604 120.300 -0.077 0.000 2.439 111 Y HA 0.209 4.759 4.550 -0.000 0.000 0.292 111 Y C 1.488 177.364 175.900 -0.041 0.000 1.130 111 Y CA 0.618 58.681 58.100 -0.061 0.000 1.254 111 Y CB -0.231 38.182 38.460 -0.078 0.000 1.000 111 Y HN 0.536 nan 8.280 nan 0.000 0.554 112 I N -0.400 119.758 120.570 -0.686 0.000 3.265 112 I HA 0.030 4.200 4.170 -0.000 0.000 0.282 112 I C 2.425 178.408 176.117 -0.223 0.000 1.207 112 I CA 0.627 61.560 61.300 -0.613 0.000 1.449 112 I CB -0.383 37.087 38.000 -0.884 0.000 1.121 112 I HN 0.311 nan 8.210 nan 0.000 0.442 113 S N 0.260 115.875 115.700 -0.142 0.000 2.356 113 S HA -0.111 4.359 4.470 -0.000 0.000 0.223 113 S C 2.197 176.878 174.600 0.134 0.000 1.032 113 S CA 1.625 59.806 58.200 -0.031 0.000 1.005 113 S CB -0.898 62.331 63.200 0.048 0.000 0.867 113 S HN 0.569 nan 8.310 nan 0.000 0.449 114 G N 1.936 110.822 108.800 0.143 0.000 2.480 114 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 114 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 114 G C -0.697 174.230 174.900 0.044 0.000 1.200 114 G CA 0.925 46.132 45.100 0.178 0.000 0.782 114 G HN 0.468 nan 8.290 nan 0.000 0.554 115 P HA -0.154 nan 4.420 nan 0.000 0.216 115 P C 1.544 178.875 177.300 0.052 0.000 1.150 115 P CA 1.036 63.765 63.100 -0.618 0.000 0.843 115 P CB -0.114 31.144 31.700 -0.737 0.000 0.787 116 W N -1.133 120.131 121.300 -0.060 0.000 2.378 116 W HA -0.158 4.502 4.660 -0.000 0.000 0.313 116 W C 1.849 178.365 176.519 -0.005 0.000 1.197 116 W CA 0.844 58.150 57.345 -0.064 0.000 1.304 116 W CB -0.784 28.566 29.460 -0.183 0.000 1.148 116 W HN -0.113 nan 8.180 nan 0.000 0.494 117 F N 1.028 121.083 119.950 0.174 0.000 2.120 117 F HA -0.219 4.307 4.527 -0.000 0.000 0.300 117 F C 1.627 177.442 175.800 0.024 0.000 1.095 117 F CA 1.750 59.806 58.000 0.095 0.000 1.249 117 F CB -1.471 37.592 39.000 0.105 0.000 0.995 117 F HN -0.237 nan 8.300 nan 0.000 0.480 121 L N -0.125 121.107 121.223 0.015 0.000 2.217 121 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 121 L C 2.249 179.124 176.870 0.009 0.000 1.107 121 L CA 1.899 56.763 54.840 0.041 0.000 0.783 121 L CB -0.189 41.928 42.059 0.095 0.000 0.919 121 L HN 0.275 nan 8.230 nan 0.000 0.442 122 T N -0.450 114.093 114.554 -0.018 0.000 3.014 122 T HA 0.153 4.503 4.350 -0.000 0.000 0.263 122 T C 1.018 175.700 174.700 -0.029 0.000 1.078 122 T CA 0.407 62.500 62.100 -0.012 0.000 1.135 122 T CB -0.073 68.796 68.868 0.001 0.000 0.895 122 T HN 0.277 nan 8.240 nan 0.000 0.480 123 A N 1.849 124.621 122.820 -0.080 0.000 2.567 123 A HA 0.213 4.533 4.320 -0.000 0.000 0.240 123 A C 1.262 178.869 177.584 0.038 0.000 1.053 123 A CA -0.052 51.962 52.037 -0.038 0.000 0.755 123 A CB 0.180 19.122 19.000 -0.098 0.000 0.978 123 A HN 0.387 nan 8.150 nan 0.000 0.507 124 R N 1.438 121.977 120.500 0.065 0.000 2.290 124 R HA 0.040 4.380 4.340 -0.000 0.000 0.197 124 R C -0.594 175.772 176.300 0.110 0.000 0.913 124 R CA 0.250 56.396 56.100 0.077 0.000 1.040 124 R CB -0.431 29.899 30.300 0.051 0.000 0.992 124 R HN 0.853 nan 8.270 nan 0.000 0.500 125 D N 0.837 121.326 120.400 0.149 0.000 2.400 125 D HA -0.047 4.593 4.640 -0.000 0.000 0.238 125 D C 0.161 176.564 176.300 0.172 0.000 1.157 125 D CA 0.238 54.319 54.000 0.135 0.000 0.889 125 D CB 0.491 41.363 40.800 0.119 0.000 1.199 125 D HN -0.195 nan 8.370 nan 0.000 0.436 126 S N 0.496 116.246 115.700 0.082 0.000 2.573 126 S HA -0.052 4.418 4.470 -0.000 0.000 0.297 126 S C 1.424 176.098 174.600 0.124 0.000 1.280 126 S CA -0.579 57.662 58.200 0.068 0.000 1.061 126 S CB 0.013 63.203 63.200 -0.017 0.000 0.812 126 S HN 0.515 nan 8.310 nan 0.000 0.500 127 I N 3.343 124.009 120.570 0.159 0.000 2.761 127 I HA 0.131 4.301 4.170 -0.000 0.000 0.261 127 I C 0.320 176.475 176.117 0.064 0.000 1.198 127 I CA 0.093 61.549 61.300 0.259 0.000 1.482 127 I CB -0.363 37.786 38.000 0.248 0.000 1.100 127 I HN 0.257 nan 8.210 nan 0.000 0.445 128 V N 3.794 123.630 119.914 -0.130 0.000 2.572 128 V HA 0.066 4.186 4.120 -0.000 0.000 0.291 128 V C 1.236 177.247 176.094 -0.138 0.000 1.039 128 V CA 0.009 62.157 62.300 -0.254 0.000 1.055 128 V CB 0.869 32.378 31.823 -0.523 0.000 0.969 128 V HN 0.620 nan 8.190 nan 0.000 0.482 129 L N 1.478 122.663 121.223 -0.062 0.000 3.159 129 L HA -0.400 3.940 4.340 -0.000 0.000 0.370 129 L C 1.860 178.652 176.870 -0.129 0.000 1.458 129 L CA 2.144 56.958 54.840 -0.043 0.000 3.093 129 L CB -1.378 40.675 42.059 -0.010 0.000 1.152 129 L HN 0.694 nan 8.230 nan 0.000 0.779 130 N N -0.712 117.822 118.700 -0.277 0.000 2.166 130 N HA -0.081 4.659 4.740 -0.000 0.000 0.186 130 N C 1.275 176.260 175.510 -0.875 0.000 1.019 130 N CA 2.088 54.739 53.050 -0.664 0.000 0.856 130 N CB -0.054 37.831 38.487 -1.004 0.000 0.993 130 N HN 0.444 nan 8.380 nan 0.000 0.426 131 F N -1.146 118.766 119.950 -0.063 0.000 2.455 131 F HA 0.287 4.814 4.527 0.000 0.000 0.278 131 F C -0.015 175.693 175.800 -0.154 0.000 0.887 131 F CA -0.623 57.301 58.000 -0.126 0.000 1.104 131 F CB -0.367 38.570 39.000 -0.105 0.000 0.949 131 F HN -0.275 nan 8.300 nan 0.000 0.750 132 N N 3.829 122.544 118.700 0.024 0.000 2.452 132 N HA 0.219 4.959 4.740 -0.000 0.000 0.266 132 N C -2.532 172.781 175.510 -0.330 0.000 1.175 132 N CA -1.140 51.781 53.050 -0.216 0.000 0.945 132 N CB 0.317 38.723 38.487 -0.136 0.000 1.063 132 N HN 0.067 nan 8.380 nan 0.000 0.472 133 P HA 0.523 nan 4.420 nan 0.000 0.307 133 P C -1.110 175.987 177.300 -0.338 0.000 1.307 133 P CA -0.601 62.275 63.100 -0.373 0.000 0.814 133 P CB 1.127 32.579 31.700 -0.414 0.000 1.311 137 F N 1.636 121.837 119.950 0.418 0.000 2.459 137 F HA 0.272 4.799 4.527 -0.000 0.000 0.346 137 F C 1.280 177.170 175.800 0.150 0.000 1.128 137 F CA 0.635 58.765 58.000 0.216 0.000 1.268 137 F CB 0.726 39.769 39.000 0.072 0.000 1.161 137 F HN 0.710 nan 8.300 nan 0.000 0.583 138 N N 3.189 122.026 118.700 0.228 0.000 2.381 138 N HA 0.106 4.846 4.740 -0.000 0.000 0.241 138 N C -2.366 173.360 175.510 0.359 0.000 1.279 138 N CA -1.012 52.162 53.050 0.207 0.000 0.896 138 N CB 0.197 38.721 38.487 0.061 0.000 1.118 138 N HN 0.265 nan 8.380 nan 0.000 0.438 139 P HA -0.040 nan 4.420 nan 0.000 0.272 139 P C -0.846 176.602 177.300 0.246 0.000 1.240 139 P CA -0.104 63.133 63.100 0.228 0.000 0.791 139 P CB 0.453 32.245 31.700 0.154 0.000 0.978 140 D N 1.330 121.799 120.400 0.115 0.000 2.450 140 D HA 0.006 4.646 4.640 -0.000 0.000 0.247 140 D C -1.370 174.957 176.300 0.044 0.000 1.162 140 D CA -1.393 52.607 54.000 -0.000 0.000 0.879 140 D CB 0.465 41.242 40.800 -0.039 0.000 1.163 140 D HN 0.101 nan 8.370 nan 0.000 0.472 141 P HA -0.078 nan 4.420 nan 0.000 0.225 141 P C -0.307 177.007 177.300 0.024 0.000 1.148 141 P CA 1.002 64.127 63.100 0.042 0.000 0.779 141 P CB 0.181 31.900 31.700 0.032 0.000 0.780 142 K N -0.210 120.190 120.400 -0.001 0.000 2.267 142 K HA 0.251 4.571 4.320 -0.000 0.000 0.282 142 K C 1.133 177.814 176.600 0.136 0.000 1.078 142 K CA -0.208 56.114 56.287 0.059 0.000 0.903 142 K CB 0.652 33.168 32.500 0.026 0.000 1.111 142 K HN -0.131 nan 8.250 nan 0.000 0.475 143 S N 2.621 118.383 115.700 0.104 0.000 2.372 143 S HA -0.218 4.252 4.470 -0.000 0.000 0.227 143 S C 1.332 175.989 174.600 0.095 0.000 1.044 143 S CA 1.541 59.794 58.200 0.088 0.000 1.050 143 S CB -0.091 63.144 63.200 0.059 0.000 0.901 143 S HN 0.629 nan 8.310 nan 0.000 0.447 144 E N -0.499 119.760 120.200 0.098 0.000 2.347 144 E HA -0.085 4.265 4.350 -0.000 0.000 0.196 144 E C 1.124 177.694 176.600 -0.049 0.000 1.008 144 E CA 0.607 57.012 56.400 0.009 0.000 0.852 144 E CB -0.145 29.528 29.700 -0.045 0.000 0.783 144 E HN 0.612 nan 8.360 nan 0.000 0.505 145 Y N 0.776 121.065 120.300 -0.020 0.000 2.578 145 Y HA 0.005 4.554 4.550 -0.000 0.000 0.297 145 Y C 1.486 177.369 175.900 -0.029 0.000 1.176 145 Y CA 0.424 58.505 58.100 -0.032 0.000 1.315 145 Y CB 0.113 38.542 38.460 -0.051 0.000 1.031 145 Y HN 0.041 nan 8.280 nan 0.000 0.524 146 N N 0.509 119.268 118.700 0.099 0.000 2.383 146 N HA -0.056 4.684 4.740 -0.000 0.000 0.192 146 N C -0.202 175.325 175.510 0.027 0.000 1.141 146 N CA 0.211 53.298 53.050 0.062 0.000 0.851 146 N CB -0.165 38.364 38.487 0.070 0.000 0.976 146 N HN 0.395 nan 8.380 nan 0.000 0.465 147 D N 1.212 121.610 120.400 -0.002 0.000 2.525 147 D HA -0.111 4.529 4.640 -0.000 0.000 0.235 147 D C 1.375 177.668 176.300 -0.010 0.000 1.137 147 D CA 0.296 54.285 54.000 -0.020 0.000 0.868 147 D CB 0.987 41.754 40.800 -0.056 0.000 1.180 147 D HN 0.079 nan 8.370 nan 0.000 0.465 148 Q N 2.617 122.412 119.800 -0.008 0.000 2.061 148 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 148 Q C 1.828 177.827 176.000 -0.001 0.000 0.984 148 Q CA 1.220 57.020 55.803 -0.004 0.000 0.846 148 Q CB -0.145 28.585 28.738 -0.013 0.000 0.902 148 Q HN 0.704 nan 8.270 nan 0.000 0.421 149 L N 0.487 121.703 121.223 -0.011 0.000 2.046 149 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 149 L C 2.121 178.987 176.870 -0.008 0.000 1.077 149 L CA 2.269 57.104 54.840 -0.009 0.000 0.747 149 L CB -0.880 41.166 42.059 -0.023 0.000 0.896 149 L HN 0.207 nan 8.230 nan 0.000 0.432 150 T N -0.546 113.992 114.554 -0.026 0.000 2.674 150 T HA -0.227 4.123 4.350 -0.000 0.000 0.265 150 T C 2.044 176.748 174.700 0.007 0.000 1.039 150 T CA 1.844 63.924 62.100 -0.033 0.000 1.150 150 T CB -0.266 68.545 68.868 -0.094 0.000 0.864 150 T HN 0.321 nan 8.240 nan 0.000 0.427 151 R N 0.669 121.176 120.500 0.012 0.000 2.075 151 R HA 0.059 4.399 4.340 -0.000 0.000 0.232 151 R C 2.635 178.946 176.300 0.019 0.000 1.126 151 R CA 1.154 57.263 56.100 0.015 0.000 0.963 151 R CB -0.424 29.883 30.300 0.011 0.000 0.858 151 R HN 0.368 nan 8.270 nan 0.000 0.435 152 A N -0.162 122.682 122.820 0.040 0.000 1.908 152 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 152 A C 2.117 179.761 177.584 0.101 0.000 1.181 152 A CA 2.082 54.166 52.037 0.079 0.000 0.627 152 A CB -0.902 18.147 19.000 0.081 0.000 0.818 152 A HN 0.426 nan 8.150 nan 0.000 0.445 153 T N 0.746 115.345 114.554 0.075 0.000 2.674 153 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 153 T C 1.853 176.598 174.700 0.074 0.000 1.039 153 T CA 1.522 63.671 62.100 0.080 0.000 1.150 153 T CB -0.414 68.479 68.868 0.041 0.000 0.864 153 T HN 0.500 nan 8.240 nan 0.000 0.427 154 N N 1.177 119.904 118.700 0.044 0.000 2.188 154 N HA 0.055 4.795 4.740 -0.000 0.000 0.184 154 N C 1.917 177.423 175.510 -0.005 0.000 1.018 154 N CA 0.773 53.834 53.050 0.019 0.000 0.858 154 N CB -0.488 38.007 38.487 0.012 0.000 0.989 154 N HN 0.334 nan 8.380 nan 0.000 0.426 155 L N 0.523 121.735 121.223 -0.018 0.000 2.056 155 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 155 L C 2.202 179.134 176.870 0.103 0.000 1.078 155 L CA 1.036 55.847 54.840 -0.048 0.000 0.749 155 L CB -0.721 41.285 42.059 -0.088 0.000 0.901 155 L HN 0.131 nan 8.230 nan 0.000 0.433 156 T N -0.524 114.155 114.554 0.208 0.000 2.708 156 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 156 T C 1.996 176.872 174.700 0.292 0.000 1.037 156 T CA 1.462 63.782 62.100 0.367 0.000 1.146 156 T CB -0.230 68.832 68.868 0.322 0.000 0.865 156 T HN 0.047 nan 8.240 nan 0.000 0.435 157 V N 1.408 121.427 119.914 0.174 0.000 2.343 157 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 157 V C 2.722 178.885 176.094 0.115 0.000 1.051 157 V CA 1.834 64.211 62.300 0.128 0.000 1.036 157 V CB -0.812 31.056 31.823 0.075 0.000 0.654 157 V HN 0.432 nan 8.190 nan 0.000 0.451 158 S N 0.047 115.794 115.700 0.078 0.000 2.368 158 S HA -0.189 4.281 4.470 -0.000 0.000 0.225 158 S C 2.225 176.902 174.600 0.129 0.000 1.030 158 S CA 1.444 59.675 58.200 0.051 0.000 0.999 158 S CB -0.501 62.670 63.200 -0.049 0.000 0.844 158 S HN 0.662 nan 8.310 nan 0.000 0.459 159 A N 1.022 123.951 122.820 0.181 0.000 1.902 159 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 159 A C 2.322 180.172 177.584 0.443 0.000 1.181 159 A CA 1.642 53.914 52.037 0.392 0.000 0.623 159 A CB -0.867 18.383 19.000 0.416 0.000 0.818 159 A HN 0.361 nan 8.150 nan 0.000 0.443 160 V N -0.221 119.892 119.914 0.333 0.000 2.427 160 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 160 V C 2.572 178.721 176.094 0.093 0.000 1.051 160 V CA 2.073 64.479 62.300 0.176 0.000 1.048 160 V CB -0.848 31.063 31.823 0.147 0.000 0.666 160 V HN 0.512 nan 8.190 nan 0.000 0.456 161 R N -0.739 119.828 120.500 0.112 0.000 2.091 161 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 161 R C 2.216 178.603 176.300 0.147 0.000 1.136 161 R CA 2.091 58.235 56.100 0.072 0.000 0.959 161 R CB -0.534 29.802 30.300 0.059 0.000 0.856 161 R HN 0.536 nan 8.270 nan 0.000 0.437 162 F N 1.312 121.328 119.950 0.110 0.000 2.102 162 F HA -0.209 4.318 4.527 0.000 0.000 0.298 162 F C 2.127 178.023 175.800 0.160 0.000 1.105 162 F CA 1.390 59.512 58.000 0.203 0.000 1.239 162 F CB -0.213 39.012 39.000 0.375 0.000 0.991 162 F HN -0.023 nan 8.300 nan 0.000 0.474 163 L N 0.583 121.903 121.223 0.162 0.000 1.990 163 L HA -0.309 4.031 4.340 -0.000 0.000 0.213 163 L C 2.377 179.225 176.870 -0.036 0.000 1.072 163 L CA 1.988 56.655 54.840 -0.288 0.000 0.755 163 L CB -0.539 41.037 42.059 -0.804 0.000 0.889 163 L HN 0.123 nan 8.230 nan 0.000 0.432 164 K N -0.969 119.440 120.400 0.014 0.000 2.057 164 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 164 K C 1.905 178.644 176.600 0.231 0.000 1.049 164 K CA 1.987 58.345 56.287 0.120 0.000 0.931 164 K CB -0.274 32.255 32.500 0.049 0.000 0.714 164 K HN 0.434 nan 8.250 nan 0.000 0.440 165 T N 1.947 116.607 114.554 0.176 0.000 2.746 165 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 165 T C 1.730 176.369 174.700 -0.102 0.000 1.039 165 T CA 1.104 63.219 62.100 0.025 0.000 1.142 165 T CB -0.218 68.594 68.868 -0.094 0.000 0.866 165 T HN 0.094 nan 8.240 nan 0.000 0.444 166 L N 1.167 122.324 121.223 -0.109 0.000 2.017 166 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 166 L C 2.398 179.301 176.870 0.056 0.000 1.073 166 L CA 1.786 56.620 54.840 -0.010 0.000 0.745 166 L CB -0.678 41.485 42.059 0.173 0.000 0.894 166 L HN 0.232 nan 8.230 nan 0.000 0.432 167 Q N -0.896 118.950 119.800 0.078 0.000 2.230 167 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 167 Q C 2.040 178.058 176.000 0.030 0.000 0.963 167 Q CA 1.083 56.932 55.803 0.078 0.000 0.866 167 Q CB -0.220 28.571 28.738 0.088 0.000 0.931 167 Q HN 0.682 nan 8.270 nan 0.000 0.452 168 A N 0.137 122.952 122.820 -0.010 0.000 2.167 168 A HA 0.206 4.526 4.320 -0.000 0.000 0.214 168 A C 1.571 179.081 177.584 -0.124 0.000 1.151 168 A CA 0.821 52.798 52.037 -0.100 0.000 0.735 168 A CB -0.387 18.438 19.000 -0.292 0.000 0.802 168 A HN 0.446 nan 8.150 nan 0.000 0.467 169 G N -1.159 107.589 108.800 -0.087 0.000 2.153 169 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.252 169 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.252 169 G C 0.584 175.408 174.900 -0.128 0.000 0.994 169 G CA 0.577 45.627 45.100 -0.083 0.000 0.698 169 G HN 0.507 nan 8.290 nan 0.000 0.521 170 L N -0.895 120.216 121.223 -0.187 0.000 2.607 170 L HA 0.392 4.732 4.340 -0.000 0.000 0.228 170 L C 1.337 178.105 176.870 -0.169 0.000 1.123 170 L CA -0.396 54.310 54.840 -0.224 0.000 0.890 170 L CB 0.167 41.981 42.059 -0.408 0.000 1.103 170 L HN 0.295 nan 8.230 nan 0.000 0.468 171 L N 1.139 122.278 121.223 -0.141 0.000 2.367 171 L HA 0.109 4.449 4.340 -0.000 0.000 0.275 171 L C 0.580 177.432 176.870 -0.029 0.000 1.129 171 L CA 0.181 54.955 54.840 -0.110 0.000 0.839 171 L CB 0.362 42.334 42.059 -0.146 0.000 1.133 171 L HN 0.048 nan 8.230 nan 0.000 0.453 172 E N 6.263 126.473 120.200 0.017 0.000 2.414 172 E HA 0.063 4.413 4.350 -0.000 0.000 0.263 172 E C -2.110 174.550 176.600 0.102 0.000 1.000 172 E CA -1.462 54.979 56.400 0.069 0.000 0.914 172 E CB 0.070 29.830 29.700 0.101 0.000 0.948 172 E HN 0.497 nan 8.360 nan 0.000 0.444 173 P HA -0.083 nan 4.420 nan 0.000 0.265 173 P C -0.513 176.884 177.300 0.161 0.000 1.187 173 P CA 0.319 63.526 63.100 0.178 0.000 0.766 173 P CB 0.455 32.377 31.700 0.371 0.000 0.820 174 E N 2.128 122.392 120.200 0.107 0.000 2.299 174 E HA 0.292 4.642 4.350 -0.000 0.000 0.272 174 E C -1.059 175.580 176.600 0.065 0.000 1.043 174 E CA 0.190 56.658 56.400 0.113 0.000 0.895 174 E CB 0.058 29.825 29.700 0.112 0.000 1.011 174 E HN 0.055 nan 8.360 nan 0.000 0.432 175 V N 5.499 125.430 119.914 0.028 0.000 2.777 175 V HA 0.284 4.404 4.120 -0.000 0.000 0.306 175 V C -1.087 174.895 176.094 -0.187 0.000 1.112 175 V CA -0.940 61.262 62.300 -0.163 0.000 0.917 175 V CB 1.450 33.062 31.823 -0.352 0.000 1.018 175 V HN 0.629 nan 8.190 nan 0.000 0.426 176 F N 4.520 124.317 119.950 -0.255 0.000 2.404 176 F HA 0.649 5.176 4.527 -0.000 0.000 0.358 176 F C 0.122 175.777 175.800 -0.242 0.000 1.120 176 F CA 0.008 57.921 58.000 -0.146 0.000 1.144 176 F CB 0.492 39.478 39.000 -0.023 0.000 1.133 176 F HN 0.604 nan 8.300 nan 0.000 0.495 177 H N 6.085 124.754 119.070 -0.669 0.000 2.458 177 H HA 0.344 4.900 4.556 -0.000 0.000 0.330 177 H C 0.685 175.562 175.328 -0.751 0.000 1.111 177 H CA -0.623 55.092 56.048 -0.554 0.000 1.245 177 H CB 1.749 31.292 29.762 -0.365 0.000 1.456 177 H HN 0.689 nan 8.280 nan 0.000 0.488 178 L N 1.229 122.272 121.223 -0.301 0.000 2.202 178 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 178 L C 0.490 177.277 176.870 -0.137 0.000 1.083 178 L CA 0.695 55.428 54.840 -0.178 0.000 0.790 178 L CB 0.144 42.208 42.059 0.009 0.000 0.942 178 L HN 0.550 nan 8.230 nan 0.000 0.452 179 N N -0.484 118.134 118.700 -0.136 0.000 2.746 179 N HA 0.201 4.941 4.740 -0.000 0.000 0.250 179 N C -2.091 173.320 175.510 -0.165 0.000 1.146 179 N CA -1.878 51.095 53.050 -0.130 0.000 0.828 179 N CB 1.196 39.612 38.487 -0.118 0.000 1.158 179 N HN -0.234 nan 8.380 nan 0.000 0.519 180 P HA -0.119 nan 4.420 nan 0.000 0.216 180 P C 0.964 178.116 177.300 -0.247 0.000 1.150 180 P CA 1.145 64.056 63.100 -0.314 0.000 0.843 180 P CB 0.340 31.894 31.700 -0.243 0.000 0.787 181 S N -0.421 115.185 115.700 -0.157 0.000 2.383 181 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 181 S C 1.889 176.426 174.600 -0.106 0.000 1.030 181 S CA 1.589 59.722 58.200 -0.112 0.000 1.002 181 S CB -0.510 62.642 63.200 -0.080 0.000 0.829 181 S HN 0.312 nan 8.310 nan 0.000 0.467 182 K N 0.719 121.043 120.400 -0.127 0.000 2.244 182 K HA 0.058 4.378 4.320 -0.000 0.000 0.200 182 K C 2.138 178.645 176.600 -0.156 0.000 1.052 182 K CA 1.045 57.264 56.287 -0.113 0.000 0.980 182 K CB 0.016 32.448 32.500 -0.115 0.000 0.838 182 K HN 0.423 nan 8.250 nan 0.000 0.481 183 S N -0.527 115.019 115.700 -0.257 0.000 2.483 183 S HA -0.005 4.465 4.470 -0.000 0.000 0.221 183 S C 0.778 175.185 174.600 -0.322 0.000 1.030 183 S CA 0.187 58.132 58.200 -0.425 0.000 0.925 183 S CB 0.125 63.094 63.200 -0.385 0.000 0.795 183 S HN 0.173 nan 8.310 nan 0.000 0.511 184 D N 2.994 123.145 120.400 -0.414 0.000 2.943 184 D HA 0.304 4.944 4.640 -0.000 0.000 0.249 184 D C -0.283 175.933 176.300 -0.140 0.000 1.231 184 D CA 0.017 53.771 54.000 -0.410 0.000 0.979 184 D CB -0.044 40.267 40.800 -0.815 0.000 1.053 184 D HN 0.539 nan 8.370 nan 0.000 0.504 185 T N -2.578 111.978 114.554 0.003 0.000 2.906 185 T HA 0.295 4.645 4.350 -0.000 0.000 0.295 185 T C 0.867 175.625 174.700 0.097 0.000 1.061 185 T CA -0.822 61.301 62.100 0.038 0.000 1.000 185 T CB 1.764 70.653 68.868 0.036 0.000 1.103 185 T HN -0.276 nan 8.240 nan 0.000 0.486 186 D N 1.094 121.530 120.400 0.059 0.000 2.123 186 D HA -0.069 4.571 4.640 -0.000 0.000 0.196 186 D C 2.347 178.684 176.300 0.062 0.000 0.992 186 D CA 1.847 55.879 54.000 0.053 0.000 0.833 186 D CB -0.644 40.174 40.800 0.030 0.000 0.954 186 D HN 0.773 nan 8.370 nan 0.000 0.455 187 A N 0.518 123.380 122.820 0.070 0.000 1.873 187 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 187 A C 2.176 179.822 177.584 0.103 0.000 1.193 187 A CA 1.489 53.570 52.037 0.074 0.000 0.629 187 A CB -1.141 17.901 19.000 0.071 0.000 0.826 187 A HN 0.289 nan 8.150 nan 0.000 0.447 188 F N 0.670 120.631 119.950 0.018 0.000 2.102 188 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 188 F C 2.147 177.981 175.800 0.056 0.000 1.105 188 F CA 2.150 60.171 58.000 0.035 0.000 1.239 188 F CB -0.238 38.779 39.000 0.028 0.000 0.991 188 F HN 0.143 nan 8.300 nan 0.000 0.474 189 K N -0.014 120.408 120.400 0.035 0.000 2.097 189 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 189 K C 2.140 178.658 176.600 -0.137 0.000 1.049 189 K CA 1.551 57.802 56.287 -0.061 0.000 0.933 189 K CB -0.242 32.292 32.500 0.055 0.000 0.717 189 K HN 0.253 nan 8.250 nan 0.000 0.442 190 R N 0.535 120.999 120.500 -0.060 0.000 2.159 190 R HA -0.090 4.250 4.340 -0.000 0.000 0.237 190 R C 2.136 178.471 176.300 0.060 0.000 1.131 190 R CA 1.064 57.161 56.100 -0.005 0.000 0.982 190 R CB -0.203 30.122 30.300 0.041 0.000 0.868 190 R HN 0.190 nan 8.270 nan 0.000 0.453 191 L N -0.730 120.464 121.223 -0.049 0.000 2.145 191 L HA -0.025 4.315 4.340 -0.000 0.000 0.201 191 L C 2.160 178.990 176.870 -0.067 0.000 1.075 191 L CA 0.264 55.102 54.840 -0.003 0.000 0.773 191 L CB -0.183 41.821 42.059 -0.091 0.000 0.936 191 L HN 0.070 nan 8.230 nan 0.000 0.451 192 I N 0.785 121.133 120.570 -0.371 0.000 2.454 192 I HA -0.248 3.922 4.170 -0.000 0.000 0.254 192 I C 2.719 178.740 176.117 -0.160 0.000 1.156 192 I CA 1.208 62.324 61.300 -0.306 0.000 1.433 192 I CB -0.276 37.398 38.000 -0.544 0.000 1.082 192 I HN 0.208 nan 8.210 nan 0.000 0.432 193 R N -0.671 119.638 120.500 -0.319 0.000 2.193 193 R HA -0.153 4.187 4.340 -0.000 0.000 0.229 193 R C 1.684 177.720 176.300 -0.441 0.000 1.110 193 R CA 1.643 57.409 56.100 -0.557 0.000 0.988 193 R CB -1.032 28.916 30.300 -0.586 0.000 0.871 193 R HN 0.265 nan 8.270 nan 0.000 0.458 194 F N 1.254 121.141 119.950 -0.104 0.000 2.743 194 F HA 0.165 4.692 4.527 -0.000 0.000 0.297 194 F C 0.649 176.462 175.800 0.021 0.000 1.131 194 F CA -0.118 57.859 58.000 -0.039 0.000 1.426 194 F CB 0.407 39.379 39.000 -0.047 0.000 1.116 194 F HN -0.228 nan 8.300 nan 0.000 0.583 195 V N 2.942 122.980 119.914 0.207 0.000 2.488 195 V HA 0.134 4.254 4.120 -0.000 0.000 0.277 195 V C -1.940 174.245 176.094 0.152 0.000 1.046 195 V CA -1.960 60.444 62.300 0.172 0.000 0.986 195 V CB 0.370 32.286 31.823 0.156 0.000 0.989 195 V HN -0.138 nan 8.190 nan 0.000 0.475 196 P HA 0.116 nan 4.420 nan 0.000 0.266 196 P C -2.086 175.177 177.300 -0.062 0.000 1.195 196 P CA -1.175 61.953 63.100 0.046 0.000 0.768 196 P CB 0.002 31.730 31.700 0.047 0.000 0.838 197 P HA -0.213 nan 4.420 nan 0.000 0.220 197 P C 1.341 178.606 177.300 -0.058 0.000 1.144 197 P CA 1.681 64.626 63.100 -0.257 0.000 0.800 197 P CB -0.361 31.235 31.700 -0.174 0.000 0.772 198 S N -1.727 113.981 115.700 0.013 0.000 2.474 198 S HA -0.047 4.423 4.470 -0.000 0.000 0.235 198 S C 1.496 176.208 174.600 0.187 0.000 0.997 198 S CA 0.945 59.193 58.200 0.081 0.000 0.949 198 S CB -0.991 62.245 63.200 0.060 0.000 0.766 198 S HN 0.160 nan 8.310 nan 0.000 0.517 199 L N 1.202 122.538 121.223 0.190 0.000 2.966 199 L HA 0.234 4.574 4.340 -0.000 0.000 0.262 199 L C 2.235 179.340 176.870 0.391 0.000 1.165 199 L CA 0.489 55.535 54.840 0.344 0.000 0.978 199 L CB 0.086 42.253 42.059 0.180 0.000 1.337 199 L HN 0.369 nan 8.230 nan 0.000 0.563 200 S N -0.143 115.684 115.700 0.212 0.000 2.370 200 S HA -0.266 4.204 4.470 -0.000 0.000 0.226 200 S C 1.621 176.496 174.600 0.458 0.000 1.033 200 S CA 1.051 59.367 58.200 0.193 0.000 1.011 200 S CB -0.768 62.265 63.200 -0.278 0.000 0.852 200 S HN 0.612 nan 8.310 nan 0.000 0.457 201 W N 1.934 123.387 121.300 0.256 0.000 2.321 201 W HA -0.196 4.464 4.660 -0.000 0.000 0.306 201 W C 1.815 178.332 176.519 -0.004 0.000 1.217 201 W CA 1.585 58.972 57.345 0.070 0.000 1.257 201 W CB -0.594 28.747 29.460 -0.199 0.000 1.145 201 W HN 0.327 nan 8.180 nan 0.000 0.509 202 Y N 0.036 120.520 120.300 0.308 0.000 2.224 202 Y HA -0.105 4.445 4.550 0.000 0.000 0.289 202 Y C 2.719 178.640 175.900 0.035 0.000 1.146 202 Y CA 1.634 59.817 58.100 0.138 0.000 1.182 202 Y CB -1.319 37.294 38.460 0.254 0.000 0.983 202 Y HN 0.046 nan 8.280 nan 0.000 0.524 203 G N -0.340 108.617 108.800 0.262 0.000 2.418 203 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 203 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 203 G C 1.902 176.949 174.900 0.245 0.000 1.158 203 G CA 0.997 46.254 45.100 0.261 0.000 0.771 203 G HN 0.477 nan 8.290 nan 0.000 0.545 204 A N -0.074 122.818 122.820 0.120 0.000 1.898 204 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 204 A C 2.166 179.434 177.584 -0.527 0.000 1.181 204 A CA 1.545 53.465 52.037 -0.195 0.000 0.620 204 A CB -0.733 18.013 19.000 -0.424 0.000 0.819 204 A HN 0.481 nan 8.150 nan 0.000 0.442 205 Y N -0.193 119.584 120.300 -0.873 0.000 2.151 205 Y HA -0.235 4.315 4.550 -0.000 0.000 0.284 205 Y C 2.032 177.638 175.900 -0.490 0.000 1.166 205 Y CA 1.803 59.342 58.100 -0.935 0.000 1.163 205 Y CB -0.181 37.557 38.460 -1.204 0.000 0.974 205 Y HN 0.264 nan 8.280 nan 0.000 0.511 206 L N 0.158 121.199 121.223 -0.304 0.000 2.127 206 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 206 L C 1.825 178.528 176.870 -0.278 0.000 1.089 206 L CA 1.741 56.444 54.840 -0.229 0.000 0.757 206 L CB -0.423 41.622 42.059 -0.023 0.000 0.899 206 L HN 0.330 nan 8.230 nan 0.000 0.434 207 V N -3.405 116.308 119.914 -0.335 0.000 3.249 207 V HA 0.315 4.435 4.120 -0.000 0.000 0.338 207 V C 0.476 176.317 176.094 -0.422 0.000 1.363 207 V CA 0.216 62.304 62.300 -0.355 0.000 1.205 207 V CB -1.455 30.104 31.823 -0.440 0.000 1.164 207 V HN 0.658 nan 8.190 nan 0.000 0.458 208 N N 0.092 118.479 118.700 -0.522 0.000 2.747 208 N HA -0.150 4.590 4.740 -0.000 0.000 0.249 208 N C 0.145 175.287 175.510 -0.613 0.000 1.107 208 N CA 0.635 53.368 53.050 -0.527 0.000 0.707 208 N CB -1.126 37.203 38.487 -0.263 0.000 1.054 208 N HN 1.009 nan 8.380 nan 0.000 0.555 209 A N 0.206 122.543 122.820 -0.805 0.000 2.350 209 A HA 0.730 5.050 4.320 -0.000 0.000 0.324 209 A C -1.069 175.943 177.584 -0.953 0.000 1.118 209 A CA -0.410 51.187 52.037 -0.733 0.000 0.783 209 A CB 0.879 19.524 19.000 -0.591 0.000 1.236 209 A HN 0.270 nan 8.150 nan 0.000 0.457 210 Y N 1.805 121.944 120.300 -0.268 0.000 2.555 210 Y HA 0.372 4.922 4.550 -0.000 0.000 0.326 210 Y C -2.481 173.316 175.900 -0.172 0.000 0.984 210 Y CA -2.385 55.630 58.100 -0.142 0.000 1.298 210 Y CB 1.172 39.657 38.460 0.041 0.000 1.094 210 Y HN 0.466 nan 8.280 nan 0.000 0.500 211 P HA 0.064 nan 4.420 nan 0.000 0.267 211 P C -0.454 176.861 177.300 0.026 0.000 1.200 211 P CA 0.298 63.278 63.100 -0.201 0.000 0.772 211 P CB 0.855 32.281 31.700 -0.456 0.000 0.855 212 L N 1.251 122.496 121.223 0.037 0.000 2.322 212 L HA 0.435 4.775 4.340 -0.000 0.000 0.269 212 L C 0.979 177.895 176.870 0.078 0.000 1.012 212 L CA -0.960 53.915 54.840 0.058 0.000 0.815 212 L CB 1.036 43.139 42.059 0.074 0.000 1.295 212 L HN 0.382 nan 8.230 nan 0.000 0.438 216 Q N -0.067 120.047 119.800 0.524 0.000 2.424 216 Q HA 0.279 4.619 4.340 -0.000 0.000 0.204 216 Q C 0.769 177.041 176.000 0.454 0.000 0.933 216 Q CA 0.670 56.756 55.803 0.472 0.000 0.929 216 Q CB -0.217 28.750 28.738 0.381 0.000 1.037 216 Q HN 0.634 nan 8.270 nan 0.000 0.511 217 Y N -0.053 120.442 120.300 0.325 0.000 2.293 217 Y HA -0.219 4.331 4.550 0.000 0.000 0.291 217 Y C 1.901 177.927 175.900 0.211 0.000 1.137 217 Y CA 0.861 59.138 58.100 0.296 0.000 1.202 217 Y CB -0.537 38.119 38.460 0.326 0.000 0.990 217 Y HN 0.278 nan 8.280 nan 0.000 0.537 218 F N -0.070 120.068 119.950 0.312 0.000 2.269 218 F HA -0.090 4.437 4.527 0.000 0.000 0.301 218 F C 1.836 177.658 175.800 0.037 0.000 1.082 218 F CA 1.067 59.188 58.000 0.201 0.000 1.360 218 F CB -0.740 38.355 39.000 0.159 0.000 1.041 218 F HN -0.243 nan 8.300 nan 0.000 0.512 219 R N 0.935 120.825 120.500 -1.016 0.000 2.339 219 R HA 0.088 4.428 4.340 -0.000 0.000 0.199 219 R C 1.909 177.441 176.300 -1.279 0.000 1.018 219 R CA 0.335 55.778 56.100 -1.095 0.000 1.036 219 R CB -0.427 29.263 30.300 -1.017 0.000 0.899 219 R HN 0.458 nan 8.270 nan 0.000 0.473 220 L N -0.175 120.451 121.223 -0.995 0.000 2.083 220 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 220 L C 0.185 176.483 176.870 -0.952 0.000 1.083 220 L CA 1.263 55.438 54.840 -1.108 0.000 0.752 220 L CB -0.014 41.321 42.059 -1.207 0.000 0.899 220 L HN -0.009 nan 8.230 nan 0.000 0.433 221 F N -1.286 118.571 119.950 -0.154 0.000 2.561 221 F HA 0.303 4.830 4.527 -0.000 0.000 0.321 221 F C 0.779 176.536 175.800 -0.072 0.000 1.065 221 F CA -1.527 56.455 58.000 -0.030 0.000 0.934 221 F CB 0.848 39.913 39.000 0.108 0.000 1.215 221 F HN -0.098 nan 8.300 nan 0.000 0.471 222 N N 0.062 118.849 118.700 0.144 0.000 2.725 222 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 222 N C -1.207 174.319 175.510 0.027 0.000 1.103 222 N CA 0.846 53.927 53.050 0.053 0.000 0.707 222 N CB -0.745 37.778 38.487 0.060 0.000 1.043 222 N HN 0.418 nan 8.380 nan 0.000 0.553 223 S N -1.046 114.642 115.700 -0.018 0.000 2.549 223 S HA 0.795 5.265 4.470 -0.000 0.000 0.280 223 S C -0.275 174.347 174.600 0.037 0.000 1.109 223 S CA -0.622 57.553 58.200 -0.041 0.000 0.905 223 S CB 2.967 65.993 63.200 -0.289 0.000 1.081 223 S HN 0.192 nan 8.310 nan 0.000 0.477 224 T N 0.885 115.541 114.554 0.170 0.000 2.802 224 T HA 0.483 4.833 4.350 -0.000 0.000 0.311 224 T C -1.740 173.105 174.700 0.243 0.000 1.405 224 T CA -0.695 61.545 62.100 0.233 0.000 1.016 224 T CB 1.396 70.459 68.868 0.326 0.000 1.352 224 T HN 0.585 nan 8.240 nan 0.000 0.498 225 R N 2.856 123.508 120.500 0.253 0.000 2.229 225 R HA 0.636 4.976 4.340 -0.000 0.000 0.328 225 R C -0.714 175.699 176.300 0.188 0.000 1.009 225 R CA -0.480 55.752 56.100 0.220 0.000 0.864 225 R CB 0.303 30.742 30.300 0.232 0.000 1.085 225 R HN 0.559 nan 8.270 nan 0.000 0.453 226 I N 7.406 128.045 120.570 0.115 0.000 2.336 226 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 226 I C -1.882 174.191 176.117 -0.074 0.000 0.991 226 I CA -2.581 58.720 61.300 0.000 0.000 1.227 226 I CB 1.915 39.895 38.000 -0.034 0.000 1.366 226 I HN 0.466 nan 8.210 nan 0.000 0.466 227 P HA 0.202 nan 4.420 nan 0.000 0.271 227 P C -0.944 176.227 177.300 -0.214 0.000 1.220 227 P CA -0.200 62.752 63.100 -0.247 0.000 0.768 227 P CB 0.877 32.237 31.700 -0.568 0.000 0.848 228 R N 2.957 123.395 120.500 -0.105 0.000 2.774 228 R HA 0.535 4.875 4.340 -0.000 0.000 0.272 228 R C -2.715 173.561 176.300 -0.039 0.000 1.000 228 R CA -2.420 53.634 56.100 -0.077 0.000 0.906 228 R CB 0.690 30.965 30.300 -0.041 0.000 1.227 228 R HN 0.252 nan 8.270 nan 0.000 0.468 229 P HA 0.103 nan 4.420 nan 0.000 0.267 229 P C -0.026 177.276 177.300 0.002 0.000 1.200 229 P CA 0.225 63.321 63.100 -0.007 0.000 0.772 229 P CB 0.467 32.166 31.700 -0.002 0.000 0.855 230 N N -0.536 118.169 118.700 0.008 0.000 1.961 230 N HA -0.237 4.503 4.740 -0.000 0.000 0.215 230 N C 0.288 175.808 175.510 0.017 0.000 0.579 230 N CA 1.658 54.715 53.050 0.012 0.000 4.210 230 N CB -0.874 37.620 38.487 0.012 0.000 0.734 230 N HN 0.574 nan 8.380 nan 0.000 0.239 231 R N 1.326 121.837 120.500 0.019 0.000 2.535 231 R HA 0.279 4.619 4.340 -0.000 0.000 0.274 231 R C -1.815 174.501 176.300 0.026 0.000 1.090 231 R CA -0.492 55.625 56.100 0.028 0.000 0.930 231 R CB 1.316 31.642 30.300 0.042 0.000 1.223 231 R HN -0.041 nan 8.270 nan 0.000 0.441 232 D N 1.798 122.217 120.400 0.032 0.000 2.360 232 D HA 0.041 4.681 4.640 -0.000 0.000 0.242 232 D C -0.334 175.996 176.300 0.050 0.000 1.184 232 D CA 0.185 54.206 54.000 0.034 0.000 0.930 232 D CB 0.989 41.820 40.800 0.052 0.000 1.161 232 D HN 0.443 nan 8.370 nan 0.000 0.447 233 E N 0.765 120.998 120.200 0.054 0.000 2.191 233 E HA 0.337 4.687 4.350 -0.000 0.000 0.274 233 E C -0.968 175.701 176.600 0.115 0.000 0.948 233 E CA -0.648 55.799 56.400 0.078 0.000 0.802 233 E CB 0.801 30.550 29.700 0.082 0.000 1.137 233 E HN 0.302 nan 8.360 nan 0.000 0.397 234 L N 5.357 126.644 121.223 0.106 0.000 2.260 234 L HA 0.376 4.716 4.340 -0.000 0.000 0.289 234 L C -0.435 176.532 176.870 0.161 0.000 1.057 234 L CA -0.707 54.207 54.840 0.123 0.000 0.811 234 L CB 0.387 42.482 42.059 0.060 0.000 1.184 234 L HN 0.542 nan 8.230 nan 0.000 0.429 235 F N 3.039 123.014 119.950 0.041 0.000 2.443 235 F HA 0.608 5.134 4.527 -0.000 0.000 0.335 235 F C -0.190 175.637 175.800 0.045 0.000 1.104 235 F CA -0.090 57.940 58.000 0.050 0.000 1.013 235 F CB 1.732 40.766 39.000 0.056 0.000 1.136 235 F HN 0.290 nan 8.300 nan 0.000 0.470 236 T N 4.481 118.580 114.554 -0.758 0.000 2.916 236 T HA 0.262 4.612 4.350 -0.000 0.000 0.298 236 T C -1.897 172.313 174.700 -0.818 0.000 1.031 236 T CA -0.600 61.173 62.100 -0.545 0.000 0.993 236 T CB 1.460 70.281 68.868 -0.078 0.000 1.045 236 T HN 0.513 nan 8.240 nan 0.000 0.454 237 D N 1.218 121.358 120.400 -0.433 0.000 2.375 237 D HA 0.249 4.889 4.640 -0.000 0.000 0.259 237 D C 0.925 177.204 176.300 -0.036 0.000 1.235 237 D CA -0.348 53.535 54.000 -0.196 0.000 0.924 237 D CB 1.474 42.278 40.800 0.006 0.000 1.143 237 D HN 0.445 nan 8.370 nan 0.000 0.529 238 T N 1.913 116.456 114.554 -0.017 0.000 3.051 238 T HA -0.038 4.312 4.350 -0.000 0.000 0.269 238 T C 1.423 176.142 174.700 0.031 0.000 1.127 238 T CA 1.091 63.212 62.100 0.033 0.000 1.107 238 T CB 0.084 68.982 68.868 0.050 0.000 0.898 238 T HN 0.275 nan 8.240 nan 0.000 0.517 239 K N 0.794 121.210 120.400 0.027 0.000 2.366 239 K HA 0.232 4.552 4.320 -0.000 0.000 0.198 239 K C 0.966 177.596 176.600 0.050 0.000 1.044 239 K CA 0.075 56.385 56.287 0.037 0.000 0.973 239 K CB 0.076 32.599 32.500 0.039 0.000 0.767 239 K HN 0.307 nan 8.250 nan 0.000 0.475 240 A N 1.428 124.279 122.820 0.052 0.000 2.425 240 A HA 0.163 4.483 4.320 -0.000 0.000 0.249 240 A C 0.465 178.053 177.584 0.007 0.000 1.084 240 A CA -0.085 51.993 52.037 0.067 0.000 0.781 240 A CB 0.357 19.384 19.000 0.045 0.000 1.019 240 A HN 0.256 nan 8.150 nan 0.000 0.490 241 R N 0.226 120.760 120.500 0.056 0.000 2.535 241 R HA 0.106 4.446 4.340 -0.000 0.000 0.323 241 R C -0.230 176.070 176.300 0.000 0.000 0.979 241 R CA -0.139 55.973 56.100 0.021 0.000 1.120 241 R CB 0.283 30.617 30.300 0.057 0.000 1.306 241 R HN 0.954 nan 8.270 nan 0.000 0.540 242 H N -0.466 118.556 119.070 -0.080 0.000 2.533 242 H HA 0.304 4.860 4.556 -0.000 0.000 0.343 242 H C -0.895 174.271 175.328 -0.270 0.000 1.160 242 H CA -0.971 54.982 56.048 -0.158 0.000 1.218 242 H CB 1.615 31.300 29.762 -0.127 0.000 1.566 242 H HN -0.135 nan 8.280 nan 0.000 0.522 243 L N 2.365 123.333 121.223 -0.424 0.000 2.357 243 L HA 0.294 4.634 4.340 -0.000 0.000 0.273 243 L C -0.869 175.757 176.870 -0.407 0.000 1.080 243 L CA -0.784 53.690 54.840 -0.609 0.000 0.803 243 L CB 1.006 42.562 42.059 -0.839 0.000 1.174 243 L HN 0.614 nan 8.230 nan 0.000 0.443 244 L N 5.199 126.218 121.223 -0.341 0.000 2.295 244 L HA 0.689 5.029 4.340 -0.000 0.000 0.285 244 L C -1.133 175.646 176.870 -0.151 0.000 1.035 244 L CA -0.140 54.605 54.840 -0.158 0.000 0.806 244 L CB 1.607 43.594 42.059 -0.119 0.000 1.214 244 L HN 0.408 nan 8.230 nan 0.000 0.426 245 V N 6.216 126.123 119.914 -0.012 0.000 2.588 245 V HA 0.480 4.600 4.120 -0.000 0.000 0.304 245 V C -0.288 175.874 176.094 0.113 0.000 1.042 245 V CA -0.626 61.713 62.300 0.065 0.000 0.877 245 V CB 1.752 33.672 31.823 0.162 0.000 0.996 245 V HN 0.612 nan 8.190 nan 0.000 0.425 246 L N 5.117 126.342 121.223 0.003 0.000 2.313 246 L HA 0.735 5.075 4.340 -0.000 0.000 0.283 246 L C -0.136 176.760 176.870 0.043 0.000 1.013 246 L CA -0.469 54.324 54.840 -0.078 0.000 0.816 246 L CB 1.711 43.606 42.059 -0.274 0.000 1.236 246 L HN 0.630 nan 8.230 nan 0.000 0.419 247 R N 3.328 123.923 120.500 0.158 0.000 2.522 247 R HA 0.271 4.611 4.340 -0.000 0.000 0.283 247 R C -0.542 175.877 176.300 0.199 0.000 1.074 247 R CA -0.625 55.567 56.100 0.153 0.000 0.925 247 R CB 1.188 31.583 30.300 0.158 0.000 1.205 247 R HN 0.568 nan 8.270 nan 0.000 0.436 248 K N 2.467 122.931 120.400 0.107 0.000 3.016 248 K HA -0.251 4.069 4.320 -0.000 0.000 0.262 248 K C 0.524 177.088 176.600 -0.059 0.000 1.043 248 K CA 1.077 57.419 56.287 0.091 0.000 0.761 248 K CB -1.188 31.437 32.500 0.208 0.000 1.230 248 K HN 1.161 nan 8.250 nan 0.000 0.485 249 G N -0.138 108.592 108.800 -0.115 0.000 2.179 249 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 249 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 249 G C -0.033 174.757 174.900 -0.184 0.000 0.977 249 G CA 0.645 45.621 45.100 -0.207 0.000 0.641 249 G HN 0.558 nan 8.290 nan 0.000 0.533 250 H N -0.726 118.368 119.070 0.039 0.000 2.481 250 H HA 0.554 5.109 4.556 -0.000 0.000 0.339 250 H C -0.234 175.032 175.328 -0.103 0.000 1.131 250 H CA -0.141 55.927 56.048 0.033 0.000 1.301 250 H CB 0.749 30.462 29.762 -0.082 0.000 1.476 250 H HN 0.150 nan 8.280 nan 0.000 0.529 251 F N 1.999 121.833 119.950 -0.194 0.000 2.427 251 F HA 0.296 4.823 4.527 0.000 0.000 0.346 251 F C -0.463 175.108 175.800 -0.382 0.000 1.120 251 F CA -0.720 57.181 58.000 -0.166 0.000 1.033 251 F CB 0.963 39.927 39.000 -0.060 0.000 1.126 251 F HN 0.384 nan 8.300 nan 0.000 0.462 252 Y N 1.744 122.158 120.300 0.190 0.000 2.462 252 Y HA 0.651 5.201 4.550 -0.000 0.000 0.346 252 Y C -0.511 175.444 175.900 0.091 0.000 0.976 252 Y CA -1.459 56.735 58.100 0.158 0.000 1.044 252 Y CB 2.109 40.694 38.460 0.207 0.000 1.230 252 Y HN 0.369 nan 8.280 nan 0.000 0.455 253 V N 0.906 120.949 119.914 0.215 0.000 2.789 253 V HA 0.895 5.015 4.120 -0.000 0.000 0.311 253 V C -1.170 175.006 176.094 0.137 0.000 1.073 253 V CA -1.167 61.178 62.300 0.076 0.000 0.921 253 V CB 1.669 33.473 31.823 -0.032 0.000 1.009 253 V HN 0.712 nan 8.190 nan 0.000 0.426 254 F N 0.204 120.168 119.950 0.023 0.000 2.654 254 F HA 0.779 5.306 4.527 -0.000 0.000 0.308 254 F C -0.892 174.930 175.800 0.037 0.000 1.108 254 F CA -1.064 56.909 58.000 -0.045 0.000 0.957 254 F CB 1.062 39.954 39.000 -0.180 0.000 1.309 254 F HN 0.444 nan 8.300 nan 0.000 0.446 255 D N 1.713 122.265 120.400 0.254 0.000 2.390 255 D HA 0.319 4.959 4.640 -0.000 0.000 0.249 255 D C 1.102 177.550 176.300 0.247 0.000 1.144 255 D CA 0.109 54.216 54.000 0.178 0.000 0.880 255 D CB 1.975 42.860 40.800 0.142 0.000 1.182 255 D HN 0.629 nan 8.370 nan 0.000 0.451 256 V N 0.090 120.064 119.914 0.101 0.000 3.605 256 V HA 0.312 4.432 4.120 -0.000 0.000 0.284 256 V C 0.440 176.578 176.094 0.073 0.000 1.386 256 V CA 0.034 62.402 62.300 0.114 0.000 1.053 256 V CB -0.320 31.524 31.823 0.035 0.000 0.857 256 V HN 0.245 nan 8.190 nan 0.000 0.436 257 L N 2.517 123.771 121.223 0.051 0.000 2.365 257 L HA 0.631 4.971 4.340 -0.000 0.000 0.273 257 L C -0.429 176.469 176.870 0.046 0.000 1.000 257 L CA -0.734 54.127 54.840 0.035 0.000 0.819 257 L CB 1.948 44.017 42.059 0.016 0.000 1.284 257 L HN 0.277 nan 8.230 nan 0.000 0.418 258 D N 0.638 121.060 120.400 0.038 0.000 2.433 258 D HA 0.017 4.657 4.640 -0.000 0.000 0.255 258 D C 0.818 177.136 176.300 0.030 0.000 1.226 258 D CA -0.528 53.495 54.000 0.037 0.000 1.015 258 D CB 0.528 41.346 40.800 0.030 0.000 1.091 258 D HN 0.638 nan 8.370 nan 0.000 0.527 259 Q N -0.963 118.854 119.800 0.027 0.000 2.364 259 Q HA -0.139 4.201 4.340 -0.000 0.000 0.209 259 Q C -0.012 176.001 176.000 0.021 0.000 0.977 259 Q CA 1.174 56.991 55.803 0.024 0.000 0.885 259 Q CB -0.200 28.550 28.738 0.020 0.000 0.941 259 Q HN 0.392 nan 8.270 nan 0.000 0.464 260 D N 0.000 120.412 120.400 0.019 0.000 2.349 260 D HA 0.126 4.766 4.640 -0.000 0.000 0.214 260 D C 0.916 177.228 176.300 0.019 0.000 1.063 260 D CA 0.890 54.901 54.000 0.018 0.000 0.847 260 D CB 0.910 41.719 40.800 0.015 0.000 0.933 260 D HN 0.514 nan 8.370 nan 0.000 0.513 261 G N 1.044 109.855 108.800 0.019 0.000 2.176 261 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.232 261 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.232 261 G C 0.123 175.025 174.900 0.004 0.000 0.986 261 G CA -0.353 44.758 45.100 0.018 0.000 0.643 261 G HN 0.330 nan 8.290 nan 0.000 0.522 262 N N -0.115 118.584 118.700 -0.002 0.000 2.515 262 N HA 0.605 5.345 4.740 -0.000 0.000 0.279 262 N C 0.662 176.161 175.510 -0.018 0.000 1.164 262 N CA -0.658 52.378 53.050 -0.023 0.000 0.982 262 N CB 1.040 39.516 38.487 -0.019 0.000 1.170 262 N HN 0.242 nan 8.380 nan 0.000 0.474 263 I N 1.421 121.969 120.570 -0.037 0.000 2.648 263 I HA -0.014 4.156 4.170 -0.000 0.000 0.284 263 I C 0.232 176.355 176.117 0.010 0.000 1.153 263 I CA -0.408 60.885 61.300 -0.010 0.000 1.426 263 I CB 0.407 38.394 38.000 -0.022 0.000 1.381 263 I HN 0.176 nan 8.210 nan 0.000 0.571 264 V N 6.103 126.041 119.914 0.041 0.000 2.763 264 V HA -0.114 4.006 4.120 -0.000 0.000 0.306 264 V C 0.904 177.012 176.094 0.023 0.000 1.059 264 V CA -0.107 62.222 62.300 0.049 0.000 1.138 264 V CB 0.488 32.375 31.823 0.106 0.000 0.940 264 V HN 0.773 nan 8.190 nan 0.000 0.489 265 N N 6.715 125.414 118.700 -0.002 0.000 2.223 265 N HA -0.047 4.693 4.740 -0.000 0.000 0.271 265 N C -1.535 173.957 175.510 -0.031 0.000 1.315 265 N CA -0.958 52.078 53.050 -0.023 0.000 0.835 265 N CB 1.110 39.573 38.487 -0.040 0.000 1.066 265 N HN 0.316 nan 8.380 nan 0.000 0.486 266 P HA -0.141 nan 4.420 nan 0.000 0.217 266 P C 1.395 178.665 177.300 -0.050 0.000 1.148 266 P CA 1.158 64.250 63.100 -0.013 0.000 0.828 266 P CB 0.212 31.910 31.700 -0.002 0.000 0.783 267 L N -0.882 120.301 121.223 -0.067 0.000 2.217 267 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 267 L C 2.278 179.047 176.870 -0.168 0.000 1.107 267 L CA 1.313 56.096 54.840 -0.095 0.000 0.783 267 L CB -0.748 41.266 42.059 -0.076 0.000 0.919 267 L HN 0.050 nan 8.230 nan 0.000 0.442 268 E N 0.384 120.459 120.200 -0.207 0.000 2.076 268 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 268 E C 2.315 178.539 176.600 -0.627 0.000 0.979 268 E CA 0.845 56.999 56.400 -0.411 0.000 0.807 268 E CB 0.016 29.526 29.700 -0.315 0.000 0.761 268 E HN 0.437 nan 8.360 nan 0.000 0.454 269 I N 1.474 121.867 120.570 -0.296 0.000 2.163 269 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 269 I C 2.839 178.845 176.117 -0.185 0.000 1.085 269 I CA 1.314 62.519 61.300 -0.158 0.000 1.347 269 I CB -0.309 37.749 38.000 0.098 0.000 1.044 269 I HN 0.183 nan 8.210 nan 0.000 0.408 270 Q N 0.991 120.709 119.800 -0.137 0.000 2.077 270 Q HA -0.282 4.058 4.340 -0.000 0.000 0.206 270 Q C 2.341 178.254 176.000 -0.145 0.000 0.989 270 Q CA 2.274 58.016 55.803 -0.102 0.000 0.853 270 Q CB -0.142 28.547 28.738 -0.082 0.000 0.907 270 Q HN 0.574 nan 8.270 nan 0.000 0.418 271 A N 0.082 122.761 122.820 -0.236 0.000 1.908 271 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 271 A C 1.602 179.089 177.584 -0.161 0.000 1.181 271 A CA 1.836 53.748 52.037 -0.209 0.000 0.627 271 A CB -0.988 17.851 19.000 -0.269 0.000 0.818 271 A HN 0.634 nan 8.150 nan 0.000 0.445 272 H N -0.638 118.238 119.070 -0.325 0.000 2.357 272 H HA 0.026 4.582 4.556 -0.000 0.000 0.301 272 H C 1.965 177.119 175.328 -0.290 0.000 1.082 272 H CA 1.115 56.855 56.048 -0.513 0.000 1.342 272 H CB -0.112 28.889 29.762 -1.268 0.000 1.389 272 H HN 0.364 nan 8.280 nan 0.000 0.511 273 L N 0.677 121.852 121.223 -0.080 0.000 2.093 273 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 273 L C 2.539 179.406 176.870 -0.005 0.000 1.085 273 L CA 1.133 55.987 54.840 0.022 0.000 0.755 273 L CB -0.259 41.843 42.059 0.071 0.000 0.904 273 L HN 0.210 nan 8.230 nan 0.000 0.435 274 K N -0.255 120.137 120.400 -0.013 0.000 2.097 274 K HA -0.253 4.067 4.320 -0.000 0.000 0.206 274 K C 2.287 178.889 176.600 0.003 0.000 1.049 274 K CA 1.441 57.720 56.287 -0.014 0.000 0.933 274 K CB -0.223 32.265 32.500 -0.021 0.000 0.717 274 K HN 0.182 nan 8.250 nan 0.000 0.442 275 Y N 1.277 121.514 120.300 -0.106 0.000 2.128 275 Y HA -0.219 4.331 4.550 0.000 0.000 0.284 275 Y C 1.709 177.507 175.900 -0.169 0.000 1.154 275 Y CA 1.768 59.801 58.100 -0.112 0.000 1.149 275 Y CB -0.114 38.286 38.460 -0.099 0.000 0.976 275 Y HN 0.007 nan 8.280 nan 0.000 0.505 276 I N -0.155 120.312 120.570 -0.171 0.000 2.252 276 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 276 I C 2.256 178.195 176.117 -0.297 0.000 1.102 276 I CA 1.300 62.329 61.300 -0.451 0.000 1.385 276 I CB -0.403 37.331 38.000 -0.444 0.000 1.064 276 I HN 0.256 nan 8.210 nan 0.000 0.414 277 L N -0.187 120.941 121.223 -0.158 0.000 2.191 277 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 277 L C 2.326 179.136 176.870 -0.101 0.000 1.103 277 L CA 0.975 55.756 54.840 -0.098 0.000 0.769 277 L CB -0.385 41.640 42.059 -0.056 0.000 0.908 277 L HN 0.164 nan 8.230 nan 0.000 0.438 278 S N -1.722 113.895 115.700 -0.139 0.000 2.528 278 S HA -0.049 4.421 4.470 -0.000 0.000 0.219 278 S C 0.491 174.994 174.600 -0.162 0.000 0.985 278 S CA -0.202 57.923 58.200 -0.126 0.000 0.914 278 S CB -0.291 62.842 63.200 -0.111 0.000 0.776 278 S HN 0.390 nan 8.310 nan 0.000 0.526 279 D N 1.650 121.911 120.400 -0.232 0.000 2.455 279 D HA 0.085 4.725 4.640 -0.000 0.000 0.241 279 D C 0.889 177.126 176.300 -0.105 0.000 1.138 279 D CA 0.231 54.102 54.000 -0.216 0.000 0.877 279 D CB 0.678 41.335 40.800 -0.239 0.000 1.187 279 D HN 0.173 nan 8.370 nan 0.000 0.451 280 S N 1.004 116.653 115.700 -0.085 0.000 2.554 280 S HA 0.156 4.626 4.470 -0.000 0.000 0.226 280 S C 0.268 174.858 174.600 -0.016 0.000 0.980 280 S CA -0.701 57.477 58.200 -0.038 0.000 0.939 280 S CB 0.263 63.444 63.200 -0.031 0.000 0.832 280 S HN 0.238 nan 8.310 nan 0.000 0.486 281 S N 4.981 120.654 115.700 -0.044 0.000 2.549 281 S HA 0.335 4.805 4.470 -0.000 0.000 0.283 281 S C -1.931 172.745 174.600 0.127 0.000 1.320 281 S CA -0.651 57.543 58.200 -0.011 0.000 1.058 281 S CB 0.411 63.496 63.200 -0.192 0.000 0.882 281 S HN 0.487 nan 8.310 nan 0.000 0.498 282 P HA 0.189 nan 4.420 nan 0.000 0.274 282 P C -0.514 176.931 177.300 0.242 0.000 1.256 282 P CA -0.596 62.598 63.100 0.158 0.000 0.795 282 P CB 0.320 32.073 31.700 0.088 0.000 1.038 283 V N 2.008 121.990 119.914 0.113 0.000 2.720 283 V HA -0.023 4.097 4.120 -0.000 0.000 0.307 283 V C -1.689 174.379 176.094 -0.044 0.000 1.071 283 V CA -0.429 61.864 62.300 -0.011 0.000 1.199 283 V CB -1.078 30.734 31.823 -0.018 0.000 0.900 283 V HN 0.623 nan 8.190 nan 0.000 0.494 284 P HA 0.059 nan 4.420 nan 0.000 0.268 284 P C 0.887 178.142 177.300 -0.075 0.000 1.208 284 P CA -0.124 62.936 63.100 -0.066 0.000 0.777 284 P CB 0.583 32.236 31.700 -0.077 0.000 0.875 285 E N 0.539 120.679 120.200 -0.100 0.000 2.118 285 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 285 E C -0.312 175.894 176.600 -0.656 0.000 0.992 285 E CA 1.088 57.269 56.400 -0.366 0.000 0.804 285 E CB -0.058 29.417 29.700 -0.375 0.000 0.741 285 E HN 0.383 nan 8.360 nan 0.000 0.458 286 F N 0.513 120.488 119.950 0.041 0.000 2.686 286 F HA 0.338 4.865 4.527 0.000 0.000 0.365 286 F C -2.417 173.418 175.800 0.058 0.000 1.196 286 F CA -2.589 55.440 58.000 0.048 0.000 1.198 286 F CB 1.467 40.482 39.000 0.025 0.000 1.454 286 F HN -0.175 nan 8.300 nan 0.000 0.539 287 P HA 0.073 nan 4.420 nan 0.000 0.270 287 P C 0.988 178.376 177.300 0.147 0.000 1.242 287 P CA 0.153 63.324 63.100 0.118 0.000 0.768 287 P CB 1.177 32.863 31.700 -0.023 0.000 0.820 288 V N 3.533 123.510 119.914 0.105 0.000 2.626 288 V HA -0.232 3.888 4.120 -0.000 0.000 0.252 288 V C 2.286 178.431 176.094 0.084 0.000 1.067 288 V CA 2.305 64.585 62.300 -0.033 0.000 1.081 288 V CB -1.360 30.143 31.823 -0.534 0.000 0.686 288 V HN 0.600 nan 8.190 nan 0.000 0.468 289 A N -1.115 121.832 122.820 0.212 0.000 2.070 289 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 289 A C 2.005 179.457 177.584 -0.221 0.000 1.159 289 A CA 1.422 53.507 52.037 0.080 0.000 0.656 289 A CB -0.771 18.194 19.000 -0.059 0.000 0.800 289 A HN 0.602 nan 8.150 nan 0.000 0.453 290 Y N 0.067 120.254 120.300 -0.188 0.000 2.193 290 Y HA -0.236 4.314 4.550 -0.000 0.000 0.285 290 Y C 2.134 177.846 175.900 -0.313 0.000 1.166 290 Y CA 1.334 59.296 58.100 -0.230 0.000 1.181 290 Y CB -0.324 38.033 38.460 -0.172 0.000 0.976 290 Y HN 0.236 nan 8.280 nan 0.000 0.520 291 L N -0.475 120.555 121.223 -0.321 0.000 2.127 291 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 291 L C 2.428 178.564 176.870 -1.224 0.000 1.089 291 L CA 1.782 56.186 54.840 -0.728 0.000 0.757 291 L CB -1.033 40.431 42.059 -0.992 0.000 0.899 291 L HN 0.364 nan 8.230 nan 0.000 0.434 292 T N -4.176 109.712 114.554 -1.110 0.000 3.113 292 T HA -0.073 4.277 4.350 -0.000 0.000 0.263 292 T C 1.690 176.227 174.700 -0.271 0.000 1.143 292 T CA 0.865 62.418 62.100 -0.912 0.000 1.090 292 T CB -0.252 68.112 68.868 -0.841 0.000 0.922 292 T HN 0.426 nan 8.240 nan 0.000 0.521 293 S N -0.696 114.922 115.700 -0.135 0.000 2.556 293 S HA 0.211 4.681 4.470 -0.000 0.000 0.216 293 S C 0.597 175.189 174.600 -0.013 0.000 0.970 293 S CA -0.587 57.599 58.200 -0.023 0.000 0.912 293 S CB -0.014 63.305 63.200 0.199 0.000 0.790 293 S HN 0.370 nan 8.310 nan 0.000 0.504 294 E N 2.967 123.129 120.200 -0.062 0.000 2.369 294 E HA 0.119 4.469 4.350 -0.000 0.000 0.255 294 E C 0.142 176.793 176.600 0.085 0.000 1.172 294 E CA -0.312 56.100 56.400 0.020 0.000 0.932 294 E CB 0.343 30.064 29.700 0.034 0.000 1.040 294 E HN 0.442 nan 8.360 nan 0.000 0.454 295 N N 1.496 120.246 118.700 0.083 0.000 2.294 295 N HA -0.137 4.603 4.740 -0.000 0.000 0.248 295 N C 0.669 176.272 175.510 0.155 0.000 1.242 295 N CA 0.159 53.267 53.050 0.098 0.000 0.848 295 N CB 0.559 39.085 38.487 0.065 0.000 1.084 295 N HN 0.228 nan 8.380 nan 0.000 0.457 296 R N 2.443 123.031 120.500 0.147 0.000 2.148 296 R HA -0.051 4.289 4.340 -0.000 0.000 0.223 296 R C 0.932 177.298 176.300 0.109 0.000 1.088 296 R CA 0.866 57.064 56.100 0.163 0.000 0.985 296 R CB -0.469 29.903 30.300 0.120 0.000 0.880 296 R HN 0.656 nan 8.270 nan 0.000 0.451 297 D N 0.273 120.723 120.400 0.082 0.000 2.123 297 D HA -0.064 4.576 4.640 -0.000 0.000 0.200 297 D C 2.008 178.351 176.300 0.072 0.000 0.976 297 D CA 0.765 54.797 54.000 0.054 0.000 0.831 297 D CB 0.043 40.868 40.800 0.041 0.000 0.974 297 D HN -0.068 nan 8.370 nan 0.000 0.469 298 V N 0.748 120.723 119.914 0.103 0.000 2.295 298 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 298 V C 2.189 178.405 176.094 0.203 0.000 1.049 298 V CA 1.514 63.886 62.300 0.120 0.000 1.024 298 V CB -0.580 31.306 31.823 0.105 0.000 0.648 298 V HN 0.418 nan 8.190 nan 0.000 0.447 299 W N 0.611 121.910 121.300 -0.001 0.000 2.418 299 W HA -0.132 4.528 4.660 0.000 0.000 0.292 299 W C 2.381 178.892 176.519 -0.013 0.000 1.213 299 W CA 0.878 58.217 57.345 -0.009 0.000 1.283 299 W CB -0.003 29.450 29.460 -0.011 0.000 1.119 299 W HN 0.288 nan 8.180 nan 0.000 0.542 300 A N 0.828 123.600 122.820 -0.081 0.000 1.908 300 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 300 A C 1.898 179.380 177.584 -0.170 0.000 1.181 300 A CA 2.116 54.015 52.037 -0.230 0.000 0.627 300 A CB -1.177 17.750 19.000 -0.123 0.000 0.818 300 A HN 0.540 nan 8.150 nan 0.000 0.445 301 E N -0.307 119.863 120.200 -0.050 0.000 2.072 301 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 301 E C 1.957 178.536 176.600 -0.035 0.000 0.985 301 E CA 1.067 57.449 56.400 -0.030 0.000 0.801 301 E CB -0.191 29.524 29.700 0.024 0.000 0.750 301 E HN 0.630 nan 8.360 nan 0.000 0.452 302 L N 0.387 121.644 121.223 0.056 0.000 2.093 302 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 302 L C 2.897 179.802 176.870 0.058 0.000 1.085 302 L CA 0.996 55.906 54.840 0.116 0.000 0.755 302 L CB -0.361 41.857 42.059 0.265 0.000 0.904 302 L HN 0.120 nan 8.230 nan 0.000 0.435 303 R N 0.013 120.441 120.500 -0.120 0.000 2.081 303 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 303 R C 2.292 178.405 176.300 -0.311 0.000 1.131 303 R CA 1.420 57.329 56.100 -0.319 0.000 0.960 303 R CB -0.067 29.727 30.300 -0.842 0.000 0.856 303 R HN 0.442 nan 8.270 nan 0.000 0.436 304 Q N 0.157 119.730 119.800 -0.379 0.000 2.084 304 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 304 Q C 2.016 177.423 176.000 -0.987 0.000 0.978 304 Q CA 1.747 57.159 55.803 -0.652 0.000 0.844 304 Q CB 0.016 28.429 28.738 -0.542 0.000 0.898 304 Q HN 0.340 nan 8.270 nan 0.000 0.426 305 K N 0.497 120.607 120.400 -0.484 0.000 2.097 305 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 305 K C 2.120 178.654 176.600 -0.110 0.000 1.049 305 K CA 0.869 57.033 56.287 -0.205 0.000 0.933 305 K CB -0.124 32.381 32.500 0.009 0.000 0.717 305 K HN 0.165 nan 8.250 nan 0.000 0.442 306 L N 0.995 122.168 121.223 -0.083 0.000 2.042 306 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 306 L C 2.332 179.190 176.870 -0.020 0.000 1.076 306 L CA 0.865 55.713 54.840 0.013 0.000 0.749 306 L CB -0.425 41.695 42.059 0.100 0.000 0.893 306 L HN 0.199 nan 8.230 nan 0.000 0.432 307 I N -0.706 119.774 120.570 -0.152 0.000 2.179 307 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 307 I C 2.549 178.692 176.117 0.044 0.000 1.088 307 I CA 1.684 62.917 61.300 -0.112 0.000 1.357 307 I CB -1.051 36.821 38.000 -0.215 0.000 1.051 307 I HN 0.145 nan 8.210 nan 0.000 0.409 308 F N 1.267 121.223 119.950 0.009 0.000 2.216 308 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 308 F C 1.894 177.699 175.800 0.008 0.000 1.085 308 F CA 0.760 58.763 58.000 0.006 0.000 1.326 308 F CB -1.136 37.867 39.000 0.005 0.000 1.027 308 F HN 0.161 nan 8.300 nan 0.000 0.497 309 D N -0.628 119.883 120.400 0.185 0.000 2.325 309 D HA 0.223 4.863 4.640 -0.000 0.000 0.234 309 D C 1.875 178.219 176.300 0.073 0.000 1.122 309 D CA 0.828 54.895 54.000 0.111 0.000 0.850 309 D CB -0.111 40.744 40.800 0.091 0.000 0.921 309 D HN 0.363 nan 8.370 nan 0.000 0.513 310 G N 1.423 110.265 108.800 0.069 0.000 2.131 310 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.223 310 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.223 310 G C 0.743 175.646 174.900 0.004 0.000 0.990 310 G CA -0.341 44.779 45.100 0.034 0.000 0.671 310 G HN 0.286 nan 8.290 nan 0.000 0.521 311 N N 0.113 118.823 118.700 0.016 0.000 2.268 311 N HA 0.093 4.833 4.740 -0.000 0.000 0.204 311 N C 1.528 177.017 175.510 -0.034 0.000 1.124 311 N CA 0.613 53.656 53.050 -0.011 0.000 0.838 311 N CB 0.394 38.941 38.487 0.099 0.000 0.994 311 N HN 0.729 nan 8.380 nan 0.000 0.489 312 E N 1.854 122.035 120.200 -0.030 0.000 2.085 312 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 312 E C 1.713 178.271 176.600 -0.069 0.000 0.994 312 E CA 1.193 57.566 56.400 -0.044 0.000 0.801 312 E CB 0.156 29.838 29.700 -0.030 0.000 0.743 312 E HN 0.355 nan 8.360 nan 0.000 0.453 313 E N -0.777 119.376 120.200 -0.078 0.000 2.077 313 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 313 E C 1.826 178.339 176.600 -0.145 0.000 0.989 313 E CA 1.741 58.085 56.400 -0.094 0.000 0.800 313 E CB 0.013 29.660 29.700 -0.089 0.000 0.746 313 E HN 0.215 nan 8.360 nan 0.000 0.452 314 T N 1.146 115.574 114.554 -0.210 0.000 2.737 314 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 314 T C 1.850 176.386 174.700 -0.274 0.000 1.038 314 T CA 1.054 62.944 62.100 -0.350 0.000 1.144 314 T CB -0.179 68.314 68.868 -0.625 0.000 0.866 314 T HN 0.146 nan 8.240 nan 0.000 0.434 315 L N 0.434 121.573 121.223 -0.141 0.000 2.083 315 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 315 L C 2.640 179.458 176.870 -0.085 0.000 1.083 315 L CA 1.299 56.121 54.840 -0.031 0.000 0.752 315 L CB -0.360 41.724 42.059 0.042 0.000 0.899 315 L HN 0.185 nan 8.230 nan 0.000 0.433 316 K N 0.308 120.647 120.400 -0.102 0.000 2.097 316 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 316 K C 2.066 178.661 176.600 -0.009 0.000 1.049 316 K CA 1.236 57.472 56.287 -0.086 0.000 0.933 316 K CB 0.126 32.596 32.500 -0.050 0.000 0.717 316 K HN 0.171 nan 8.250 nan 0.000 0.442 317 K N -0.226 120.144 120.400 -0.049 0.000 2.097 317 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 317 K C 1.920 178.587 176.600 0.112 0.000 1.049 317 K CA 1.339 57.620 56.287 -0.010 0.000 0.933 317 K CB -0.025 32.352 32.500 -0.205 0.000 0.717 317 K HN -0.041 nan 8.250 nan 0.000 0.442 318 V N 2.178 122.062 119.914 -0.050 0.000 2.270 318 V HA -0.245 3.874 4.120 -0.000 0.000 0.245 318 V C 1.615 177.664 176.094 -0.075 0.000 1.043 318 V CA 1.960 64.176 62.300 -0.140 0.000 1.014 318 V CB -0.421 31.173 31.823 -0.381 0.000 0.645 318 V HN 0.278 nan 8.190 nan 0.000 0.447 319 D N 0.600 120.987 120.400 -0.021 0.000 2.144 319 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 319 D C 2.283 178.704 176.300 0.201 0.000 0.984 319 D CA 1.860 55.893 54.000 0.054 0.000 0.834 319 D CB -0.232 40.434 40.800 -0.225 0.000 0.955 319 D HN 0.620 nan 8.370 nan 0.000 0.465 320 S N -0.440 115.390 115.700 0.216 0.000 2.575 320 S HA 0.381 4.851 4.470 -0.000 0.000 0.215 320 S C 1.015 175.580 174.600 -0.058 0.000 0.966 320 S CA -0.167 58.181 58.200 0.246 0.000 0.911 320 S CB 0.125 63.517 63.200 0.319 0.000 0.780 320 S HN 0.228 nan 8.310 nan 0.000 0.514 321 A N 2.130 124.835 122.820 -0.191 0.000 2.507 321 A HA 0.416 4.736 4.320 -0.000 0.000 0.235 321 A C 1.731 179.128 177.584 -0.311 0.000 1.070 321 A CA 0.103 51.818 52.037 -0.537 0.000 0.768 321 A CB -0.023 18.778 19.000 -0.331 0.000 1.011 321 A HN 0.966 nan 8.150 nan 0.000 0.502 322 V N -0.076 119.625 119.914 -0.354 0.000 2.332 322 V HA 0.065 4.185 4.120 -0.000 0.000 0.248 322 V C 0.763 176.930 176.094 0.123 0.000 1.055 322 V CA 1.988 64.247 62.300 -0.069 0.000 1.038 322 V CB -1.859 29.924 31.823 -0.067 0.000 0.651 322 V HN 1.348 nan 8.190 nan 0.000 0.450 323 F N -3.018 116.828 119.950 -0.173 0.000 3.250 323 F HA 0.698 5.225 4.527 -0.000 0.000 0.326 323 F C -0.842 174.796 175.800 -0.271 0.000 1.154 323 F CA -1.245 56.510 58.000 -0.409 0.000 0.870 323 F CB 0.975 39.434 39.000 -0.901 0.000 1.476 323 F HN -0.059 nan 8.300 nan 0.000 0.491 324 C N 2.488 121.763 119.300 -0.042 0.000 2.298 324 C HA 0.814 5.274 4.460 -0.000 0.000 0.323 324 C C -0.770 174.314 174.990 0.158 0.000 1.284 324 C CA -0.654 58.353 59.018 -0.019 0.000 1.577 324 C CB -0.023 27.736 27.740 0.033 0.000 2.249 324 C HN 0.799 nan 8.230 nan 0.000 0.497 325 L N 7.454 128.725 121.223 0.080 0.000 2.272 325 L HA 0.641 4.981 4.340 -0.000 0.000 0.289 325 L C -0.526 176.402 176.870 0.097 0.000 1.032 325 L CA 0.202 55.157 54.840 0.192 0.000 0.810 325 L CB 0.612 42.774 42.059 0.172 0.000 1.205 325 L HN 0.804 nan 8.230 nan 0.000 0.422 326 C N 6.163 125.522 119.300 0.100 0.000 2.298 326 C HA 0.515 4.975 4.460 -0.000 0.000 0.323 326 C C 0.023 175.024 174.990 0.018 0.000 1.284 326 C CA -1.081 57.951 59.018 0.024 0.000 1.577 326 C CB 0.153 27.882 27.740 -0.018 0.000 2.249 326 C HN 0.671 nan 8.230 nan 0.000 0.497 327 L N 3.765 124.988 121.223 0.000 0.000 2.264 327 L HA 0.367 4.707 4.340 -0.000 0.000 0.287 327 L C -0.472 176.349 176.870 -0.082 0.000 1.039 327 L CA 0.064 54.889 54.840 -0.025 0.000 0.829 327 L CB 0.424 42.482 42.059 -0.001 0.000 1.211 327 L HN 0.596 nan 8.230 nan 0.000 0.427 328 D N 1.686 121.976 120.400 -0.184 0.000 2.225 328 D HA 0.162 4.802 4.640 -0.000 0.000 0.249 328 D C 0.196 176.263 176.300 -0.389 0.000 1.052 328 D CA -0.234 53.541 54.000 -0.376 0.000 0.909 328 D CB 1.785 42.146 40.800 -0.731 0.000 1.186 328 D HN 0.377 nan 8.370 nan 0.000 0.431 329 D N 0.932 121.160 120.400 -0.287 0.000 2.388 329 D HA 0.106 4.746 4.640 -0.000 0.000 0.221 329 D C -0.157 176.168 176.300 0.042 0.000 1.133 329 D CA -0.028 53.933 54.000 -0.066 0.000 0.831 329 D CB 0.029 40.866 40.800 0.061 0.000 0.962 329 D HN 0.312 nan 8.370 nan 0.000 0.502 330 F N -0.485 119.499 119.950 0.057 0.000 2.588 330 F HA 0.708 5.235 4.527 -0.000 0.000 0.314 330 F C -2.808 173.045 175.800 0.088 0.000 1.069 330 F CA -2.682 55.366 58.000 0.080 0.000 0.931 330 F CB 0.902 39.972 39.000 0.117 0.000 1.260 330 F HN -0.351 nan 8.300 nan 0.000 0.465 334 D N -1.074 119.448 120.400 0.204 0.000 2.792 334 D HA 0.150 4.790 4.640 -0.000 0.000 0.335 334 D C 0.426 176.819 176.300 0.155 0.000 1.353 334 D CA -0.808 53.278 54.000 0.144 0.000 0.839 334 D CB 0.214 41.079 40.800 0.109 0.000 1.396 334 D HN -0.087 nan 8.370 nan 0.000 0.479 335 L N -0.056 121.240 121.223 0.121 0.000 2.191 335 L HA -0.001 4.339 4.340 -0.000 0.000 0.212 335 L C 2.168 179.116 176.870 0.129 0.000 1.103 335 L CA 0.899 55.811 54.840 0.120 0.000 0.769 335 L CB -0.495 41.629 42.059 0.108 0.000 0.908 335 L HN 0.416 nan 8.230 nan 0.000 0.438 336 I N -0.993 119.665 120.570 0.148 0.000 2.163 336 I HA -0.353 3.817 4.170 -0.000 0.000 0.240 336 I C 2.640 178.927 176.117 0.284 0.000 1.081 336 I CA 1.440 62.851 61.300 0.186 0.000 1.353 336 I CB -0.549 37.569 38.000 0.195 0.000 1.054 336 I HN 0.347 nan 8.210 nan 0.000 0.407 337 H N 1.223 120.385 119.070 0.153 0.000 2.353 337 H HA -0.208 4.349 4.556 0.000 0.000 0.300 337 H C 2.418 177.815 175.328 0.114 0.000 1.090 337 H CA 1.612 57.745 56.048 0.142 0.000 1.327 337 H CB 0.127 29.947 29.762 0.097 0.000 1.383 337 H HN 0.289 nan 8.280 nan 0.000 0.508 338 L N 0.269 121.497 121.223 0.009 0.000 2.012 338 L HA -0.206 4.133 4.340 -0.000 0.000 0.210 338 L C 2.538 179.291 176.870 -0.195 0.000 1.073 338 L CA 1.728 56.508 54.840 -0.101 0.000 0.748 338 L CB -0.353 41.713 42.059 0.012 0.000 0.891 338 L HN 0.201 nan 8.230 nan 0.000 0.431 339 S N -1.099 114.545 115.700 -0.093 0.000 2.356 339 S HA -0.204 4.266 4.470 -0.000 0.000 0.223 339 S C 1.825 176.229 174.600 -0.328 0.000 1.032 339 S CA 1.094 59.195 58.200 -0.164 0.000 1.005 339 S CB -0.591 62.634 63.200 0.041 0.000 0.867 339 S HN 0.562 nan 8.310 nan 0.000 0.449 340 H N 1.243 120.211 119.070 -0.169 0.000 2.352 340 H HA -0.008 4.548 4.556 -0.000 0.000 0.299 340 H C 1.214 176.200 175.328 -0.569 0.000 1.097 340 H CA 1.281 57.108 56.048 -0.369 0.000 1.311 340 H CB -0.804 28.912 29.762 -0.076 0.000 1.377 340 H HN 0.322 nan 8.280 nan 0.000 0.504 344 H N -2.526 116.724 119.070 0.301 0.000 3.429 344 H HA 0.705 5.260 4.556 -0.000 0.000 0.230 344 H C 1.063 176.700 175.328 0.515 0.000 0.948 344 H CA 0.440 56.748 56.048 0.433 0.000 1.035 344 H CB -0.122 29.801 29.762 0.269 0.000 1.350 344 H HN 0.409 nan 8.280 nan 0.000 0.600 345 G N 1.481 110.439 108.800 0.263 0.000 2.601 345 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.261 345 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.261 345 G C 0.441 175.678 174.900 0.562 0.000 1.289 345 G CA 0.607 45.901 45.100 0.324 0.000 0.920 345 G HN 0.790 nan 8.290 nan 0.000 0.571 346 D N 0.047 120.628 120.400 0.303 0.000 2.349 346 D HA 0.399 5.039 4.640 -0.000 0.000 0.214 346 D C 1.725 177.956 176.300 -0.116 0.000 1.063 346 D CA 1.200 55.356 54.000 0.261 0.000 0.847 346 D CB -0.102 40.782 40.800 0.140 0.000 0.933 346 D HN 2.214 nan 8.370 nan 0.000 0.513 347 G N 0.091 108.613 108.800 -0.463 0.000 2.213 347 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.236 347 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.236 347 G C 1.199 175.403 174.900 -1.160 0.000 0.991 347 G CA 0.742 45.122 45.100 -1.201 0.000 0.629 347 G HN 0.590 nan 8.290 nan 0.000 0.517 348 T N -3.030 111.041 114.554 -0.804 0.000 3.051 348 T HA 0.266 4.616 4.350 -0.000 0.000 0.255 348 T C 1.154 175.600 174.700 -0.423 0.000 1.085 348 T CA 1.332 63.026 62.100 -0.677 0.000 1.109 348 T CB 0.131 68.755 68.868 -0.406 0.000 0.921 348 T HN 0.344 nan 8.240 nan 0.000 0.488 349 N N 0.751 119.237 118.700 -0.357 0.000 2.365 349 N HA 0.157 4.897 4.740 -0.000 0.000 0.257 349 N C -0.981 174.339 175.510 -0.317 0.000 1.287 349 N CA -0.326 52.559 53.050 -0.275 0.000 0.882 349 N CB 0.433 38.834 38.487 -0.145 0.000 1.250 349 N HN 0.124 nan 8.380 nan 0.000 0.507 350 R N 0.625 120.832 120.500 -0.489 0.000 2.621 350 R HA 0.186 4.526 4.340 -0.000 0.000 0.284 350 R C -1.254 174.689 176.300 -0.595 0.000 0.998 350 R CA -0.497 55.223 56.100 -0.633 0.000 0.895 350 R CB 1.350 30.943 30.300 -1.178 0.000 1.195 350 R HN 0.235 nan 8.270 nan 0.000 0.450 351 W N 5.434 126.455 121.300 -0.465 0.000 2.253 351 W HA 0.164 4.824 4.660 -0.000 0.000 0.348 351 W C -0.487 175.980 176.519 -0.087 0.000 0.920 351 W CA -0.670 56.541 57.345 -0.224 0.000 1.518 351 W CB 0.203 29.633 29.460 -0.051 0.000 1.446 351 W HN 0.586 nan 8.180 nan 0.000 0.361 352 F N 1.706 121.538 119.950 -0.196 0.000 2.202 352 F HA -0.218 4.309 4.527 -0.000 0.000 0.301 352 F C 2.023 177.867 175.800 0.073 0.000 1.082 352 F CA 1.440 59.432 58.000 -0.014 0.000 1.313 352 F CB -0.448 38.541 39.000 -0.018 0.000 1.024 352 F HN 0.150 nan 8.300 nan 0.000 0.495 353 D N 0.050 120.493 120.400 0.072 0.000 2.310 353 D HA -0.092 4.547 4.640 -0.000 0.000 0.212 353 D C 1.123 177.624 176.300 0.334 0.000 0.965 353 D CA 0.695 54.822 54.000 0.212 0.000 0.879 353 D CB -0.223 40.698 40.800 0.201 0.000 0.921 353 D HN 0.110 nan 8.370 nan 0.000 0.510 354 K N 0.670 121.311 120.400 0.401 0.000 2.319 354 K HA -0.003 4.317 4.320 -0.000 0.000 0.265 354 K C 1.462 178.214 176.600 0.253 0.000 1.000 354 K CA 0.107 56.597 56.287 0.337 0.000 0.943 354 K CB 0.794 33.478 32.500 0.305 0.000 0.950 354 K HN -0.108 nan 8.250 nan 0.000 0.485 355 S N 2.812 118.550 115.700 0.063 0.000 2.372 355 S HA -0.184 4.286 4.470 -0.000 0.000 0.227 355 S C 0.537 175.399 174.600 0.436 0.000 1.044 355 S CA 1.428 59.607 58.200 -0.035 0.000 1.050 355 S CB -0.897 61.950 63.200 -0.589 0.000 0.901 355 S HN 0.582 nan 8.310 nan 0.000 0.447 356 F N -1.091 118.958 119.950 0.165 0.000 2.668 356 F HA 0.671 5.198 4.527 -0.000 0.000 0.309 356 F C -1.296 174.674 175.800 0.284 0.000 1.117 356 F CA -1.469 56.692 58.000 0.267 0.000 0.951 356 F CB 1.056 40.137 39.000 0.134 0.000 1.323 356 F HN -0.176 nan 8.300 nan 0.000 0.451 357 N N 2.177 121.154 118.700 0.462 0.000 2.417 357 N HA 0.448 5.188 4.740 -0.000 0.000 0.274 357 N C -1.864 173.957 175.510 0.518 0.000 0.987 357 N CA -0.566 52.694 53.050 0.348 0.000 0.912 357 N CB 2.595 41.218 38.487 0.226 0.000 1.177 357 N HN 0.680 nan 8.380 nan 0.000 0.490 358 L N 4.495 126.024 121.223 0.511 0.000 2.257 358 L HA 0.532 4.872 4.340 -0.000 0.000 0.290 358 L C -0.908 176.176 176.870 0.356 0.000 1.044 358 L CA -0.234 54.918 54.840 0.521 0.000 0.810 358 L CB 0.340 42.741 42.059 0.571 0.000 1.193 358 L HN 0.409 nan 8.230 nan 0.000 0.425 359 I N 5.652 126.406 120.570 0.306 0.000 2.404 359 I HA 0.492 4.662 4.170 -0.000 0.000 0.293 359 I C -0.824 175.388 176.117 0.158 0.000 0.992 359 I CA -0.768 60.639 61.300 0.178 0.000 1.149 359 I CB 1.884 39.956 38.000 0.121 0.000 1.315 359 I HN 0.249 nan 8.210 nan 0.000 0.446 360 V N 5.530 125.495 119.914 0.085 0.000 2.482 360 V HA 0.635 4.755 4.120 -0.000 0.000 0.295 360 V C 0.326 176.397 176.094 -0.038 0.000 1.026 360 V CA -0.583 61.749 62.300 0.053 0.000 0.856 360 V CB 1.350 33.214 31.823 0.067 0.000 1.001 360 V HN 0.868 nan 8.190 nan 0.000 0.424 361 A N 2.896 125.674 122.820 -0.070 0.000 2.240 361 A HA 0.527 4.847 4.320 -0.000 0.000 0.292 361 A C 1.218 178.734 177.584 -0.113 0.000 1.121 361 A CA -0.145 51.784 52.037 -0.180 0.000 0.851 361 A CB 0.415 19.296 19.000 -0.198 0.000 1.167 361 A HN 0.813 nan 8.150 nan 0.000 0.503 362 E N -0.127 119.991 120.200 -0.136 0.000 2.204 362 E HA -0.186 4.163 4.350 -0.000 0.000 0.194 362 E C 0.287 176.881 176.600 -0.010 0.000 0.989 362 E CA 1.554 57.920 56.400 -0.056 0.000 0.824 362 E CB -0.072 29.610 29.700 -0.030 0.000 0.756 362 E HN 0.720 nan 8.360 nan 0.000 0.477 363 D N -1.581 118.823 120.400 0.006 0.000 2.342 363 D HA 0.114 4.754 4.640 -0.000 0.000 0.221 363 D C 1.189 177.509 176.300 0.034 0.000 1.101 363 D CA 0.611 54.630 54.000 0.031 0.000 0.837 363 D CB 0.009 40.841 40.800 0.054 0.000 0.938 363 D HN 0.201 nan 8.370 nan 0.000 0.508 364 G N -0.106 108.708 108.800 0.023 0.000 2.184 364 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.264 364 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.264 364 G C 0.452 175.390 174.900 0.064 0.000 0.975 364 G CA 0.395 45.517 45.100 0.036 0.000 0.642 364 G HN 0.448 nan 8.290 nan 0.000 0.536 365 T N 1.373 115.967 114.554 0.067 0.000 2.902 365 T HA 0.523 4.873 4.350 -0.000 0.000 0.301 365 T C 0.536 175.313 174.700 0.128 0.000 1.012 365 T CA 0.981 63.144 62.100 0.105 0.000 1.151 365 T CB 1.412 70.329 68.868 0.082 0.000 0.946 365 T HN 1.511 nan 8.240 nan 0.000 0.542 366 A N 2.115 125.073 122.820 0.230 0.000 2.454 366 A HA 0.971 5.291 4.320 -0.000 0.000 0.302 366 A C -0.580 177.302 177.584 0.497 0.000 1.079 366 A CA -0.662 51.573 52.037 0.329 0.000 0.731 366 A CB 1.743 20.924 19.000 0.302 0.000 1.299 366 A HN 1.180 nan 8.150 nan 0.000 0.413 367 A N -0.094 123.008 122.820 0.471 0.000 2.610 367 A HA 0.684 5.004 4.320 -0.000 0.000 0.291 367 A C -1.654 176.187 177.584 0.427 0.000 1.086 367 A CA -0.392 51.883 52.037 0.397 0.000 0.677 367 A CB 0.973 20.160 19.000 0.312 0.000 1.278 367 A HN 1.460 nan 8.150 nan 0.000 0.414 368 V N 2.725 122.878 119.914 0.398 0.000 2.357 368 V HA 0.373 4.493 4.120 -0.000 0.000 0.284 368 V C -0.352 176.050 176.094 0.512 0.000 1.018 368 V CA -0.455 62.119 62.300 0.456 0.000 0.841 368 V CB 1.194 33.233 31.823 0.359 0.000 0.991 368 V HN 0.893 nan 8.190 nan 0.000 0.437 369 H N 6.376 125.710 119.070 0.441 0.000 2.467 369 H HA 0.569 5.124 4.556 -0.000 0.000 0.326 369 H C -1.240 174.379 175.328 0.484 0.000 1.094 369 H CA -0.523 55.766 56.048 0.402 0.000 1.253 369 H CB 1.438 31.392 29.762 0.320 0.000 1.439 369 H HN 0.583 nan 8.280 nan 0.000 0.479 370 F N 2.260 122.208 119.950 -0.003 0.000 2.599 370 F HA 0.393 4.920 4.527 -0.000 0.000 0.311 370 F C -0.507 175.340 175.800 0.077 0.000 1.076 370 F CA -1.228 56.869 58.000 0.162 0.000 0.937 370 F CB 1.246 40.312 39.000 0.109 0.000 1.282 370 F HN 0.285 nan 8.300 nan 0.000 0.460 371 E N 1.779 122.241 120.200 0.437 0.000 2.259 371 E HA 0.046 4.396 4.350 -0.000 0.000 0.281 371 E C -0.131 176.569 176.600 0.168 0.000 1.037 371 E CA 0.105 56.698 56.400 0.320 0.000 0.854 371 E CB 0.441 30.424 29.700 0.471 0.000 1.051 371 E HN 0.832 nan 8.360 nan 0.000 0.409 372 H N 2.682 121.706 119.070 -0.078 0.000 2.544 372 H HA -0.019 4.536 4.556 -0.000 0.000 0.269 372 H C 1.822 176.972 175.328 -0.298 0.000 0.970 372 H CA 1.310 57.203 56.048 -0.258 0.000 1.219 372 H CB 0.479 30.021 29.762 -0.368 0.000 1.421 372 H HN 0.499 nan 8.280 nan 0.000 0.555 373 S N 0.663 116.376 115.700 0.021 0.000 2.447 373 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 373 S C 1.980 176.738 174.600 0.263 0.000 1.006 373 S CA 0.821 59.062 58.200 0.068 0.000 0.957 373 S CB -0.795 62.485 63.200 0.133 0.000 0.773 373 S HN 0.675 nan 8.310 nan 0.000 0.507 374 W N 1.563 122.987 121.300 0.207 0.000 3.047 374 W HA 0.536 5.196 4.660 -0.000 0.000 0.250 374 W C 0.495 177.189 176.519 0.292 0.000 1.314 374 W CA 0.032 57.525 57.345 0.247 0.000 1.540 374 W CB -0.855 28.649 29.460 0.073 0.000 1.127 374 W HN 0.468 nan 8.180 nan 0.000 0.679 375 G N 0.488 109.152 108.800 -0.227 0.000 2.340 375 G HA2 0.017 3.977 3.960 -0.000 0.000 0.299 375 G HA3 0.017 3.977 3.960 -0.000 0.000 0.299 375 G C -0.752 173.950 174.900 -0.329 0.000 1.291 375 G CA -0.299 44.630 45.100 -0.285 0.000 0.841 375 G HN -0.102 nan 8.290 nan 0.000 0.500 376 D N -0.196 120.047 120.400 -0.262 0.000 2.349 376 D HA 0.282 4.922 4.640 -0.000 0.000 0.214 376 D C 1.797 177.991 176.300 -0.176 0.000 1.063 376 D CA 1.295 55.220 54.000 -0.124 0.000 0.847 376 D CB 0.845 41.574 40.800 -0.119 0.000 0.933 376 D HN 1.436 nan 8.370 nan 0.000 0.513 377 G N 0.715 109.241 108.800 -0.457 0.000 2.217 377 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.246 377 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.246 377 G C 1.380 175.996 174.900 -0.473 0.000 0.990 377 G CA 0.400 45.150 45.100 -0.585 0.000 0.627 377 G HN 0.292 nan 8.290 nan 0.000 0.522 378 V N 1.108 120.835 119.914 -0.313 0.000 2.343 378 V HA 0.003 4.123 4.120 -0.000 0.000 0.247 378 V C 3.255 179.170 176.094 -0.299 0.000 1.051 378 V CA 2.955 65.139 62.300 -0.194 0.000 1.036 378 V CB -1.181 30.630 31.823 -0.020 0.000 0.654 378 V HN 1.007 nan 8.190 nan 0.000 0.451 379 A N 0.007 122.464 122.820 -0.605 0.000 1.940 379 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 379 A C 2.400 179.688 177.584 -0.493 0.000 1.176 379 A CA 2.164 53.624 52.037 -0.961 0.000 0.631 379 A CB -0.688 17.739 19.000 -0.954 0.000 0.814 379 A HN 0.358 nan 8.150 nan 0.000 0.446 380 V N -0.465 119.122 119.914 -0.545 0.000 2.358 380 V HA -0.200 3.919 4.120 -0.000 0.000 0.246 380 V C 2.460 178.344 176.094 -0.351 0.000 1.047 380 V CA 1.842 63.788 62.300 -0.589 0.000 1.035 380 V CB -0.733 30.398 31.823 -1.152 0.000 0.658 380 V HN 0.576 nan 8.190 nan 0.000 0.452 381 L N 0.389 121.410 121.223 -0.335 0.000 2.056 381 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 381 L C 2.517 179.388 176.870 0.002 0.000 1.078 381 L CA 1.960 56.685 54.840 -0.193 0.000 0.749 381 L CB -0.783 41.158 42.059 -0.196 0.000 0.901 381 L HN 0.218 nan 8.230 nan 0.000 0.433 382 R N -0.643 119.879 120.500 0.036 0.000 2.080 382 R HA -0.259 4.081 4.340 -0.000 0.000 0.236 382 R C 2.251 178.670 176.300 0.197 0.000 1.137 382 R CA 2.248 58.472 56.100 0.208 0.000 0.943 382 R CB -1.294 29.239 30.300 0.388 0.000 0.846 382 R HN 0.449 nan 8.270 nan 0.000 0.431 383 F N 0.023 119.825 119.950 -0.245 0.000 2.065 383 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 383 F C 1.935 177.589 175.800 -0.244 0.000 1.112 383 F CA 1.998 59.558 58.000 -0.734 0.000 1.212 383 F CB -0.813 37.614 39.000 -0.956 0.000 0.975 383 F HN 0.133 nan 8.300 nan 0.000 0.476 384 F N 1.492 121.282 119.950 -0.266 0.000 2.095 384 F HA -0.281 4.246 4.527 -0.000 0.000 0.298 384 F C 2.269 178.079 175.800 0.018 0.000 1.104 384 F CA 2.177 60.070 58.000 -0.178 0.000 1.232 384 F CB -0.665 38.209 39.000 -0.210 0.000 0.987 384 F HN -0.024 nan 8.300 nan 0.000 0.475 385 N N 0.496 119.366 118.700 0.284 0.000 2.084 385 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 385 N C 1.760 177.389 175.510 0.198 0.000 1.030 385 N CA 1.563 54.770 53.050 0.262 0.000 0.849 385 N CB -0.542 38.081 38.487 0.225 0.000 1.012 385 N HN 0.379 nan 8.380 nan 0.000 0.423 386 E N 0.533 120.832 120.200 0.165 0.000 2.106 386 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 386 E C 2.159 178.794 176.600 0.058 0.000 0.984 386 E CA 0.428 56.940 56.400 0.187 0.000 0.806 386 E CB -0.346 29.602 29.700 0.413 0.000 0.750 386 E HN 0.123 nan 8.360 nan 0.000 0.458 387 V N 1.239 121.073 119.914 -0.135 0.000 2.358 387 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 387 V C 2.146 178.107 176.094 -0.222 0.000 1.047 387 V CA 1.601 63.738 62.300 -0.271 0.000 1.035 387 V CB -0.586 30.849 31.823 -0.646 0.000 0.658 387 V HN 0.133 nan 8.190 nan 0.000 0.452 388 F N 1.225 121.013 119.950 -0.270 0.000 2.095 388 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 388 F C 2.646 178.366 175.800 -0.134 0.000 1.104 388 F CA 2.327 60.181 58.000 -0.245 0.000 1.232 388 F CB -0.321 38.642 39.000 -0.062 0.000 0.987 388 F HN -0.055 nan 8.300 nan 0.000 0.475 389 R N 0.144 120.650 120.500 0.009 0.000 2.070 389 R HA -0.213 4.127 4.340 -0.000 0.000 0.233 389 R C 2.057 178.273 176.300 -0.141 0.000 1.137 389 R CA 2.266 58.333 56.100 -0.054 0.000 0.945 389 R CB -0.859 29.488 30.300 0.079 0.000 0.845 389 R HN 0.376 nan 8.270 nan 0.000 0.430 390 D N -0.297 120.048 120.400 -0.092 0.000 2.117 390 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 390 D C 1.941 178.153 176.300 -0.147 0.000 0.982 390 D CA 1.879 55.831 54.000 -0.080 0.000 0.828 390 D CB 0.032 40.819 40.800 -0.022 0.000 0.967 390 D HN 0.341 nan 8.370 nan 0.000 0.464 391 S N -1.412 114.157 115.700 -0.219 0.000 2.423 391 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 391 S C 2.021 176.440 174.600 -0.301 0.000 1.014 391 S CA 1.604 59.662 58.200 -0.238 0.000 0.965 391 S CB -0.753 62.277 63.200 -0.283 0.000 0.785 391 S HN 0.427 nan 8.310 nan 0.000 0.495 392 T N -1.259 113.040 114.554 -0.425 0.000 3.039 392 T HA 0.198 4.548 4.350 -0.000 0.000 0.250 392 T C 1.832 176.318 174.700 -0.356 0.000 1.052 392 T CA 0.167 61.984 62.100 -0.471 0.000 1.125 392 T CB -0.289 68.157 68.868 -0.703 0.000 0.908 392 T HN 0.441 nan 8.240 nan 0.000 0.473 393 Q N 1.523 121.165 119.800 -0.263 0.000 2.297 393 Q HA 0.114 4.454 4.340 -0.000 0.000 0.203 393 Q C 0.725 176.644 176.000 -0.135 0.000 0.931 393 Q CA 1.193 56.891 55.803 -0.174 0.000 0.885 393 Q CB 0.501 29.173 28.738 -0.111 0.000 0.991 393 Q HN 0.700 nan 8.270 nan 0.000 0.498 394 T N -0.835 113.647 114.554 -0.120 0.000 3.658 394 T HA 0.301 4.651 4.350 -0.000 0.000 0.245 394 T C -2.831 171.829 174.700 -0.067 0.000 1.292 394 T CA -1.753 60.303 62.100 -0.074 0.000 1.598 394 T CB 0.759 69.608 68.868 -0.032 0.000 0.861 394 T HN -0.131 nan 8.240 nan 0.000 0.663 395 P HA 0.229 nan 4.420 nan 0.000 0.266 395 P C 1.111 178.422 177.300 0.019 0.000 1.195 395 P CA -0.103 62.979 63.100 -0.031 0.000 0.768 395 P CB 0.884 32.592 31.700 0.014 0.000 0.838 396 A N 4.323 127.158 122.820 0.024 0.000 1.930 396 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 396 A C 1.359 178.963 177.584 0.033 0.000 1.175 396 A CA 1.407 53.459 52.037 0.024 0.000 0.627 396 A CB -0.827 18.186 19.000 0.022 0.000 0.815 396 A HN 0.728 nan 8.150 nan 0.000 0.443 397 I N -4.321 116.280 120.570 0.051 0.000 3.042 397 I HA 0.690 4.860 4.170 -0.000 0.000 0.310 397 I C -0.253 175.903 176.117 0.065 0.000 1.117 397 I CA -0.474 60.847 61.300 0.034 0.000 1.003 397 I CB 2.272 40.271 38.000 -0.002 0.000 1.228 397 I HN 0.074 nan 8.210 nan 0.000 0.443 398 T N -0.850 113.692 114.554 -0.021 0.000 2.949 398 T HA 0.604 4.954 4.350 -0.000 0.000 0.287 398 T C -2.268 172.262 174.700 -0.285 0.000 1.034 398 T CA -2.006 59.985 62.100 -0.182 0.000 1.018 398 T CB 1.635 70.443 68.868 -0.101 0.000 1.135 398 T HN 0.508 nan 8.240 nan 0.000 0.532 399 P HA 0.041 nan 4.420 nan 0.000 0.228 399 P C 0.797 177.993 177.300 -0.174 0.000 1.151 399 P CA 0.755 63.674 63.100 -0.302 0.000 0.770 399 P CB 0.027 31.518 31.700 -0.349 0.000 0.786 400 Q N -1.542 118.169 119.800 -0.149 0.000 2.319 400 Q HA 0.158 4.498 4.340 -0.000 0.000 0.202 400 Q C 0.444 176.401 176.000 -0.071 0.000 0.896 400 Q CA 0.120 55.868 55.803 -0.091 0.000 0.942 400 Q CB -0.280 28.416 28.738 -0.070 0.000 1.083 400 Q HN 0.046 nan 8.270 nan 0.000 0.510 401 S N 1.900 117.554 115.700 -0.076 0.000 2.552 401 S HA 0.043 4.513 4.470 -0.000 0.000 0.289 401 S C -0.008 174.559 174.600 -0.055 0.000 1.304 401 S CA -0.043 58.123 58.200 -0.057 0.000 1.063 401 S CB 0.349 63.517 63.200 -0.052 0.000 0.848 401 S HN 0.146 nan 8.310 nan 0.000 0.499 402 Q N 2.777 122.548 119.800 -0.048 0.000 2.331 402 Q HA 0.343 4.683 4.340 -0.000 0.000 0.257 402 Q C -2.415 173.552 176.000 -0.055 0.000 0.957 402 Q CA -2.479 53.296 55.803 -0.047 0.000 0.923 402 Q CB 0.640 29.354 28.738 -0.040 0.000 1.212 402 Q HN 0.357 nan 8.270 nan 0.000 0.443 403 P HA -0.046 nan 4.420 nan 0.000 0.265 403 P C -0.612 176.639 177.300 -0.082 0.000 1.187 403 P CA 0.217 63.268 63.100 -0.081 0.000 0.766 403 P CB 0.507 32.160 31.700 -0.078 0.000 0.820 404 A N 3.216 125.972 122.820 -0.106 0.000 2.483 404 A HA 0.384 4.703 4.320 -0.000 0.000 0.238 404 A C 0.709 178.240 177.584 -0.088 0.000 1.070 404 A CA 0.186 52.165 52.037 -0.096 0.000 0.770 404 A CB -0.306 18.623 19.000 -0.118 0.000 1.008 404 A HN 0.562 nan 8.150 nan 0.000 0.497 405 A N 2.428 125.211 122.820 -0.063 0.000 2.990 405 A HA 0.505 4.825 4.320 -0.000 0.000 0.282 405 A C 0.534 178.088 177.584 -0.050 0.000 1.688 405 A CA 0.437 52.445 52.037 -0.049 0.000 1.391 405 A CB -0.848 18.131 19.000 -0.035 0.000 1.112 405 A HN 0.934 nan 8.150 nan 0.000 0.588 406 T N 0.447 114.963 114.554 -0.063 0.000 2.932 406 T HA 0.315 4.665 4.350 -0.000 0.000 0.289 406 T C 0.215 174.893 174.700 -0.037 0.000 1.039 406 T CA -0.675 61.395 62.100 -0.050 0.000 1.024 406 T CB 0.814 69.635 68.868 -0.079 0.000 1.090 406 T HN 0.465 nan 8.240 nan 0.000 0.496 407 N N 2.348 121.029 118.700 -0.030 0.000 3.178 407 N HA 0.154 4.894 4.740 -0.000 0.000 0.300 407 N C 1.096 176.528 175.510 -0.129 0.000 1.242 407 N CA 0.013 53.027 53.050 -0.060 0.000 1.192 407 N CB -0.481 37.978 38.487 -0.047 0.000 1.463 407 N HN 0.453 nan 8.380 nan 0.000 0.539 408 S N -0.329 115.256 115.700 -0.193 0.000 2.419 408 S HA -0.120 4.350 4.470 -0.000 0.000 0.235 408 S C 1.752 175.896 174.600 -0.759 0.000 1.019 408 S CA 0.980 58.885 58.200 -0.492 0.000 0.982 408 S CB -0.030 62.823 63.200 -0.578 0.000 0.789 408 S HN 0.542 nan 8.310 nan 0.000 0.490 409 S N 1.287 116.699 115.700 -0.479 0.000 2.442 409 S HA 0.006 4.476 4.470 -0.000 0.000 0.236 409 S C 2.030 176.534 174.600 -0.160 0.000 1.007 409 S CA 0.898 58.951 58.200 -0.244 0.000 0.965 409 S CB -0.243 62.950 63.200 -0.011 0.000 0.773 409 S HN 0.648 nan 8.310 nan 0.000 0.504 410 A N 0.611 123.331 122.820 -0.166 0.000 1.956 410 A HA 0.196 4.516 4.320 -0.000 0.000 0.212 410 A C 2.176 179.673 177.584 -0.145 0.000 1.188 410 A CA 0.774 52.743 52.037 -0.114 0.000 0.675 410 A CB -0.393 18.560 19.000 -0.077 0.000 0.845 410 A HN 0.396 nan 8.150 nan 0.000 0.455 411 S N -0.653 114.910 115.700 -0.228 0.000 2.470 411 S HA 0.120 4.590 4.470 -0.000 0.000 0.225 411 S C 0.443 174.851 174.600 -0.320 0.000 1.006 411 S CA 0.380 58.418 58.200 -0.269 0.000 0.934 411 S CB 0.058 63.048 63.200 -0.351 0.000 0.778 411 S HN 0.201 nan 8.310 nan 0.000 0.517 412 V N 2.520 122.216 119.914 -0.363 0.000 2.347 412 V HA 0.327 4.447 4.120 -0.000 0.000 0.280 412 V C -0.056 176.044 176.094 0.010 0.000 1.021 412 V CA -0.795 61.413 62.300 -0.154 0.000 0.847 412 V CB 1.446 33.130 31.823 -0.231 0.000 0.990 412 V HN 0.231 nan 8.190 nan 0.000 0.444 413 E N 2.946 123.185 120.200 0.065 0.000 2.200 413 E HA 0.297 4.647 4.350 -0.000 0.000 0.283 413 E C -0.606 176.063 176.600 0.114 0.000 1.015 413 E CA -0.444 55.986 56.400 0.050 0.000 0.819 413 E CB 1.067 30.749 29.700 -0.031 0.000 1.081 413 E HN 0.671 nan 8.360 nan 0.000 0.397 414 T N 5.593 120.202 114.554 0.093 0.000 2.729 414 T HA 0.246 4.596 4.350 -0.000 0.000 0.296 414 T C 0.367 175.012 174.700 -0.092 0.000 0.928 414 T CA -0.437 61.646 62.100 -0.029 0.000 1.045 414 T CB 0.098 68.955 68.868 -0.018 0.000 0.902 414 T HN 0.370 nan 8.240 nan 0.000 0.500 415 L N 2.671 123.813 121.223 -0.135 0.000 2.439 415 L HA 0.408 4.748 4.340 -0.000 0.000 0.269 415 L C 0.842 177.571 176.870 -0.235 0.000 1.179 415 L CA -0.328 54.371 54.840 -0.235 0.000 0.828 415 L CB 0.694 42.549 42.059 -0.341 0.000 1.106 415 L HN 0.530 nan 8.230 nan 0.000 0.467 416 S N 2.158 117.666 115.700 -0.319 0.000 2.605 416 S HA 0.604 5.074 4.470 -0.000 0.000 0.308 416 S C -0.863 173.538 174.600 -0.330 0.000 1.113 416 S CA -0.570 57.511 58.200 -0.198 0.000 1.049 416 S CB 0.449 63.585 63.200 -0.106 0.000 1.001 416 S HN 0.303 nan 8.310 nan 0.000 0.480 417 F N 3.712 123.594 119.950 -0.115 0.000 2.421 417 F HA 0.428 4.955 4.527 -0.000 0.000 0.337 417 F C 0.719 176.491 175.800 -0.046 0.000 1.105 417 F CA -0.818 57.121 58.000 -0.101 0.000 1.049 417 F CB 1.155 40.079 39.000 -0.126 0.000 1.139 417 F HN 0.553 nan 8.300 nan 0.000 0.479 418 N N 4.389 123.167 118.700 0.130 0.000 2.437 418 N HA 0.295 5.035 4.740 -0.000 0.000 0.243 418 N C -1.462 174.100 175.510 0.087 0.000 1.041 418 N CA -0.111 52.988 53.050 0.081 0.000 0.940 418 N CB 0.218 38.731 38.487 0.044 0.000 1.133 418 N HN 0.536 nan 8.380 nan 0.000 0.506 419 L N 2.454 123.712 121.223 0.058 0.000 2.272 419 L HA 0.398 4.738 4.340 -0.000 0.000 0.289 419 L C 0.837 177.687 176.870 -0.033 0.000 1.032 419 L CA -0.862 53.981 54.840 0.004 0.000 0.810 419 L CB 1.218 43.252 42.059 -0.042 0.000 1.205 419 L HN 0.556 nan 8.230 nan 0.000 0.422 420 S N 1.650 117.333 115.700 -0.028 0.000 2.634 420 S HA 0.235 4.705 4.470 -0.000 0.000 0.261 420 S C 1.361 175.907 174.600 -0.091 0.000 1.271 420 S CA -0.105 58.074 58.200 -0.036 0.000 0.985 420 S CB 1.375 64.575 63.200 -0.001 0.000 0.968 420 S HN 0.743 nan 8.310 nan 0.000 0.568 421 G N 0.517 109.273 108.800 -0.074 0.000 2.440 421 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.218 421 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.218 421 G C 1.564 176.406 174.900 -0.097 0.000 1.154 421 G CA 0.905 45.948 45.100 -0.095 0.000 0.767 421 G HN 1.125 nan 8.290 nan 0.000 0.552 422 A N 0.355 123.143 122.820 -0.052 0.000 1.902 422 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 422 A C 2.369 179.923 177.584 -0.049 0.000 1.181 422 A CA 1.197 53.215 52.037 -0.032 0.000 0.623 422 A CB -0.348 18.654 19.000 0.005 0.000 0.818 422 A HN 0.307 nan 8.150 nan 0.000 0.443 423 L N -0.278 120.908 121.223 -0.063 0.000 2.056 423 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 423 L C 2.356 179.132 176.870 -0.156 0.000 1.078 423 L CA 1.992 56.791 54.840 -0.069 0.000 0.749 423 L CB -1.073 40.958 42.059 -0.047 0.000 0.901 423 L HN 0.467 nan 8.230 nan 0.000 0.433 424 K N -0.312 119.899 120.400 -0.314 0.000 2.032 424 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 424 K C 2.104 178.514 176.600 -0.316 0.000 1.048 424 K CA 1.522 57.413 56.287 -0.660 0.000 0.927 424 K CB -0.199 31.643 32.500 -1.096 0.000 0.712 424 K HN 0.276 nan 8.250 nan 0.000 0.441 425 A N 1.245 123.960 122.820 -0.175 0.000 1.940 425 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 425 A C 2.413 179.979 177.584 -0.030 0.000 1.176 425 A CA 1.980 53.983 52.037 -0.057 0.000 0.631 425 A CB -1.171 17.804 19.000 -0.040 0.000 0.814 425 A HN 0.453 nan 8.150 nan 0.000 0.446 426 G N -0.069 108.709 108.800 -0.037 0.000 2.402 426 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.216 426 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.216 426 G C 1.518 176.407 174.900 -0.018 0.000 1.162 426 G CA 1.088 46.181 45.100 -0.011 0.000 0.777 426 G HN 0.481 nan 8.290 nan 0.000 0.539 427 I N 0.779 121.341 120.570 -0.013 0.000 2.252 427 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 427 I C 2.983 179.077 176.117 -0.040 0.000 1.102 427 I CA 1.373 62.682 61.300 0.015 0.000 1.385 427 I CB -0.418 37.659 38.000 0.128 0.000 1.064 427 I HN 0.081 nan 8.210 nan 0.000 0.414 428 T N 0.734 115.310 114.554 0.037 0.000 2.746 428 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 428 T C 2.044 176.697 174.700 -0.079 0.000 1.039 428 T CA 1.536 63.634 62.100 -0.004 0.000 1.142 428 T CB -0.311 68.613 68.868 0.093 0.000 0.866 428 T HN 0.480 nan 8.240 nan 0.000 0.444 429 A N 1.290 124.082 122.820 -0.047 0.000 1.933 429 A HA 0.192 4.512 4.320 -0.000 0.000 0.218 429 A C 2.624 180.170 177.584 -0.063 0.000 1.175 429 A CA 1.762 53.773 52.037 -0.044 0.000 0.628 429 A CB -1.021 17.968 19.000 -0.019 0.000 0.814 429 A HN 0.504 nan 8.150 nan 0.000 0.444 430 A N 0.001 122.771 122.820 -0.082 0.000 1.902 430 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 430 A C 2.136 179.638 177.584 -0.137 0.000 1.181 430 A CA 2.005 53.999 52.037 -0.072 0.000 0.623 430 A CB -0.474 18.491 19.000 -0.059 0.000 0.818 430 A HN 0.569 nan 8.150 nan 0.000 0.443 431 K N -0.512 119.623 120.400 -0.441 0.000 2.057 431 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 431 K C 1.761 178.249 176.600 -0.187 0.000 1.049 431 K CA 1.681 57.546 56.287 -0.703 0.000 0.931 431 K CB -0.131 31.723 32.500 -1.078 0.000 0.714 431 K HN 0.331 nan 8.250 nan 0.000 0.440 432 E N 1.092 121.213 120.200 -0.131 0.000 2.077 432 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 432 E C 1.835 178.430 176.600 -0.009 0.000 0.989 432 E CA 1.160 57.530 56.400 -0.050 0.000 0.800 432 E CB -0.190 29.482 29.700 -0.046 0.000 0.746 432 E HN 0.392 nan 8.360 nan 0.000 0.452 433 K N -0.102 120.297 120.400 -0.002 0.000 2.026 433 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 433 K C 2.188 178.806 176.600 0.030 0.000 1.048 433 K CA 0.998 57.288 56.287 0.005 0.000 0.929 433 K CB -0.302 32.203 32.500 0.008 0.000 0.713 433 K HN 0.074 nan 8.250 nan 0.000 0.439 434 F N 2.373 122.295 119.950 -0.047 0.000 2.069 434 F HA -0.265 4.261 4.527 -0.000 0.000 0.298 434 F C 1.776 177.563 175.800 -0.020 0.000 1.113 434 F CA 2.047 60.042 58.000 -0.009 0.000 1.214 434 F CB -0.209 38.855 39.000 0.108 0.000 0.978 434 F HN 0.145 nan 8.300 nan 0.000 0.474 435 D N -0.475 120.068 120.400 0.239 0.000 2.117 435 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 435 D C 2.301 178.584 176.300 -0.030 0.000 0.987 435 D CA 1.948 56.020 54.000 0.120 0.000 0.829 435 D CB -0.768 40.106 40.800 0.122 0.000 0.961 435 D HN 0.303 nan 8.370 nan 0.000 0.460 436 T N 0.094 114.626 114.554 -0.038 0.000 2.777 436 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 436 T C 2.015 176.653 174.700 -0.103 0.000 1.040 436 T CA 1.580 63.643 62.100 -0.061 0.000 1.141 436 T CB -0.398 68.439 68.868 -0.051 0.000 0.868 436 T HN 0.150 nan 8.240 nan 0.000 0.444 437 T N 1.806 116.268 114.554 -0.153 0.000 2.701 437 T HA -0.056 4.294 4.350 -0.000 0.000 0.263 437 T C 2.185 176.761 174.700 -0.206 0.000 1.040 437 T CA 0.874 62.858 62.100 -0.192 0.000 1.147 437 T CB -0.556 68.168 68.868 -0.241 0.000 0.865 437 T HN 0.119 nan 8.240 nan 0.000 0.426 438 V N 1.475 121.171 119.914 -0.364 0.000 2.469 438 V HA -0.175 3.945 4.120 -0.000 0.000 0.251 438 V C 2.433 178.419 176.094 -0.179 0.000 1.064 438 V CA 1.536 63.580 62.300 -0.426 0.000 1.066 438 V CB -0.505 30.904 31.823 -0.691 0.000 0.667 438 V HN 0.453 nan 8.190 nan 0.000 0.461 439 K N 0.111 120.441 120.400 -0.117 0.000 2.281 439 K HA -0.167 4.153 4.320 -0.000 0.000 0.203 439 K C 2.029 178.624 176.600 -0.009 0.000 1.046 439 K CA 1.778 58.034 56.287 -0.053 0.000 0.938 439 K CB -0.241 32.234 32.500 -0.041 0.000 0.737 439 K HN 0.746 nan 8.250 nan 0.000 0.458 440 T N -1.422 113.139 114.554 0.012 0.000 3.100 440 T HA 0.060 4.410 4.350 -0.000 0.000 0.253 440 T C 0.431 175.230 174.700 0.166 0.000 1.118 440 T CA -0.247 61.903 62.100 0.083 0.000 1.058 440 T CB 0.101 69.013 68.868 0.074 0.000 0.953 440 T HN -0.071 nan 8.240 nan 0.000 0.515 441 L N 3.311 124.611 121.223 0.129 0.000 2.275 441 L HA 0.624 4.964 4.340 -0.000 0.000 0.288 441 L C -0.115 176.855 176.870 0.167 0.000 1.046 441 L CA -0.346 54.548 54.840 0.090 0.000 0.805 441 L CB 1.506 43.605 42.059 0.068 0.000 1.193 441 L HN 0.343 nan 8.230 nan 0.000 0.426 442 S N 5.534 121.286 115.700 0.086 0.000 2.536 442 S HA 0.873 5.343 4.470 -0.000 0.000 0.298 442 S C -0.623 174.000 174.600 0.038 0.000 1.083 442 S CA -0.748 57.534 58.200 0.137 0.000 0.995 442 S CB 1.376 64.641 63.200 0.108 0.000 1.058 442 S HN 0.522 nan 8.310 nan 0.000 0.488 443 I N 1.572 122.171 120.570 0.049 0.000 2.722 443 I HA 0.608 4.778 4.170 -0.000 0.000 0.295 443 I C -1.156 174.970 176.117 0.014 0.000 1.161 443 I CA -0.532 60.734 61.300 -0.058 0.000 1.032 443 I CB 2.442 40.304 38.000 -0.230 0.000 1.244 443 I HN 0.648 nan 8.210 nan 0.000 0.421 444 D N 2.030 122.429 120.400 -0.002 0.000 2.665 444 D HA 0.626 5.266 4.640 -0.000 0.000 0.287 444 D C -1.491 174.812 176.300 0.005 0.000 1.266 444 D CA -0.055 53.955 54.000 0.017 0.000 0.830 444 D CB 2.566 43.375 40.800 0.016 0.000 1.356 444 D HN 0.614 nan 8.370 nan 0.000 0.437 445 S N -0.400 115.310 115.700 0.017 0.000 2.618 445 S HA 0.870 5.339 4.470 -0.000 0.000 0.277 445 S C -0.511 174.106 174.600 0.028 0.000 1.138 445 S CA -0.812 57.410 58.200 0.036 0.000 0.844 445 S CB 1.445 64.691 63.200 0.076 0.000 1.127 445 S HN 0.543 nan 8.310 nan 0.000 0.474 446 I N -1.579 119.030 120.570 0.065 0.000 2.934 446 I HA 0.789 4.959 4.170 -0.000 0.000 0.306 446 I C -1.776 174.450 176.117 0.181 0.000 1.110 446 I CA -1.162 60.187 61.300 0.081 0.000 1.019 446 I CB 2.232 40.264 38.000 0.053 0.000 1.227 446 I HN 0.520 nan 8.210 nan 0.000 0.434 447 Q N 3.667 123.569 119.800 0.172 0.000 2.397 447 Q HA 0.398 4.738 4.340 -0.000 0.000 0.260 447 Q C -1.343 174.796 176.000 0.232 0.000 1.002 447 Q CA -0.231 55.733 55.803 0.268 0.000 0.716 447 Q CB 1.763 30.518 28.738 0.028 0.000 1.258 447 Q HN 0.616 nan 8.270 nan 0.000 0.477 448 F N 2.829 122.881 119.950 0.171 0.000 2.438 448 F HA 0.167 4.694 4.527 0.000 0.000 0.360 448 F C 0.719 176.555 175.800 0.060 0.000 1.118 448 F CA 0.275 58.295 58.000 0.035 0.000 1.164 448 F CB 0.792 39.768 39.000 -0.040 0.000 1.131 448 F HN 0.478 nan 8.300 nan 0.000 0.527 449 Q N 4.623 124.134 119.800 -0.482 0.000 2.356 449 Q HA 0.028 4.368 4.340 -0.000 0.000 0.205 449 Q C 2.009 177.734 176.000 -0.458 0.000 0.901 449 Q CA 0.270 55.879 55.803 -0.323 0.000 0.938 449 Q CB -0.026 28.550 28.738 -0.271 0.000 1.081 449 Q HN 0.783 nan 8.270 nan 0.000 0.517 450 R N 0.294 120.201 120.500 -0.988 0.000 2.148 450 R HA 0.003 4.343 4.340 -0.000 0.000 0.227 450 R C 0.398 176.446 176.300 -0.421 0.000 1.103 450 R CA 1.173 56.814 56.100 -0.764 0.000 0.983 450 R CB 0.281 29.936 30.300 -1.074 0.000 0.874 450 R HN 0.215 nan 8.270 nan 0.000 0.451 451 G N -2.975 105.652 108.800 -0.289 0.000 2.313 451 G HA2 0.404 4.364 3.960 -0.000 0.000 0.296 451 G HA3 0.404 4.364 3.960 -0.000 0.000 0.296 451 G C -0.921 174.185 174.900 0.344 0.000 1.356 451 G CA -0.602 44.580 45.100 0.138 0.000 0.833 451 G HN 0.306 nan 8.290 nan 0.000 0.552 452 G N -1.017 108.049 108.800 0.444 0.000 3.008 452 G HA2 0.450 4.410 3.960 -0.000 0.000 0.148 452 G HA3 0.450 4.410 3.960 -0.000 0.000 0.148 452 G C 0.695 175.785 174.900 0.316 0.000 1.184 452 G CA 0.531 45.852 45.100 0.368 0.000 1.087 452 G HN 0.705 nan 8.290 nan 0.000 0.602 453 K N 0.172 120.681 120.400 0.180 0.000 2.063 453 K HA -0.074 4.245 4.320 -0.000 0.000 0.208 453 K C 2.230 178.913 176.600 0.139 0.000 1.048 453 K CA 1.874 58.236 56.287 0.125 0.000 0.928 453 K CB -0.065 32.475 32.500 0.067 0.000 0.713 453 K HN 0.508 nan 8.250 nan 0.000 0.442 454 E N 0.073 120.374 120.200 0.169 0.000 2.031 454 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 454 E C 1.913 178.608 176.600 0.159 0.000 0.994 454 E CA 1.239 57.727 56.400 0.146 0.000 0.800 454 E CB -0.129 29.665 29.700 0.156 0.000 0.752 454 E HN 0.265 nan 8.360 nan 0.000 0.447 455 F N 1.298 121.306 119.950 0.097 0.000 2.095 455 F HA -0.190 4.337 4.527 0.000 0.000 0.298 455 F C 2.006 177.790 175.800 -0.028 0.000 1.104 455 F CA 1.445 59.483 58.000 0.064 0.000 1.232 455 F CB -0.168 38.930 39.000 0.163 0.000 0.987 455 F HN 0.001 nan 8.300 nan 0.000 0.475 456 L N 0.037 121.313 121.223 0.088 0.000 2.093 456 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 456 L C 2.411 179.204 176.870 -0.130 0.000 1.085 456 L CA 1.458 56.248 54.840 -0.084 0.000 0.755 456 L CB -0.677 41.400 42.059 0.030 0.000 0.904 456 L HN 0.078 nan 8.230 nan 0.000 0.435 457 K N 0.254 120.619 120.400 -0.058 0.000 2.097 457 K HA -0.163 4.157 4.320 -0.000 0.000 0.205 457 K C 2.103 178.646 176.600 -0.095 0.000 1.050 457 K CA 1.185 57.441 56.287 -0.053 0.000 0.938 457 K CB -0.044 32.450 32.500 -0.010 0.000 0.718 457 K HN 0.219 nan 8.250 nan 0.000 0.442 458 K N 0.679 120.999 120.400 -0.134 0.000 2.147 458 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 458 K C 1.337 177.803 176.600 -0.223 0.000 1.049 458 K CA 0.909 57.099 56.287 -0.163 0.000 0.936 458 K CB 0.153 32.548 32.500 -0.174 0.000 0.722 458 K HN -0.046 nan 8.250 nan 0.000 0.446 459 K N 0.887 121.093 120.400 -0.323 0.000 2.476 459 K HA 0.027 4.346 4.320 -0.000 0.000 0.196 459 K C -0.098 176.401 176.600 -0.169 0.000 1.025 459 K CA 0.283 56.393 56.287 -0.295 0.000 1.138 459 K CB 0.551 32.788 32.500 -0.437 0.000 0.860 459 K HN 0.115 nan 8.250 nan 0.000 0.515 460 Q N -0.359 119.366 119.800 -0.125 0.000 2.494 460 Q HA -0.195 4.145 4.340 -0.000 0.000 0.272 460 Q C -0.433 175.530 176.000 -0.061 0.000 1.145 460 Q CA 0.812 56.571 55.803 -0.073 0.000 0.943 460 Q CB -2.438 26.268 28.738 -0.054 0.000 1.338 460 Q HN 0.358 nan 8.270 nan 0.000 0.492 461 L N -0.254 120.923 121.223 -0.077 0.000 2.330 461 L HA 0.513 4.853 4.340 -0.000 0.000 0.271 461 L C 0.719 177.569 176.870 -0.034 0.000 1.013 461 L CA -0.757 54.047 54.840 -0.060 0.000 0.816 461 L CB 1.878 43.883 42.059 -0.090 0.000 1.287 461 L HN 0.055 nan 8.230 nan 0.000 0.435 462 S N 1.909 117.601 115.700 -0.013 0.000 2.455 462 S HA 0.212 4.682 4.470 -0.000 0.000 0.278 462 S C -1.705 172.888 174.600 -0.012 0.000 1.216 462 S CA -1.184 57.022 58.200 0.009 0.000 1.055 462 S CB 0.866 64.096 63.200 0.051 0.000 0.939 462 S HN 0.348 nan 8.310 nan 0.000 0.494 463 P HA -0.098 nan 4.420 nan 0.000 0.216 463 P C 0.920 178.211 177.300 -0.016 0.000 1.150 463 P CA 1.019 64.121 63.100 0.003 0.000 0.837 463 P CB 0.104 31.822 31.700 0.031 0.000 0.786 464 D N -0.698 119.716 120.400 0.023 0.000 2.117 464 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 464 D C 1.936 178.138 176.300 -0.163 0.000 0.987 464 D CA 1.361 55.394 54.000 0.053 0.000 0.829 464 D CB -0.604 40.292 40.800 0.160 0.000 0.961 464 D HN -0.031 nan 8.370 nan 0.000 0.460 465 A N -0.241 122.460 122.820 -0.198 0.000 1.933 465 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 465 A C 2.455 179.818 177.584 -0.368 0.000 1.175 465 A CA 1.497 53.263 52.037 -0.452 0.000 0.628 465 A CB -0.738 18.171 19.000 -0.151 0.000 0.814 465 A HN 0.216 nan 8.150 nan 0.000 0.444 466 V N -0.196 119.569 119.914 -0.249 0.000 2.358 466 V HA -0.220 3.899 4.120 -0.000 0.000 0.246 466 V C 3.052 178.910 176.094 -0.393 0.000 1.047 466 V CA 1.813 63.960 62.300 -0.255 0.000 1.035 466 V CB -1.262 30.467 31.823 -0.157 0.000 0.658 466 V HN 0.613 nan 8.190 nan 0.000 0.452 467 A N -0.605 121.953 122.820 -0.437 0.000 1.883 467 A HA -0.264 4.055 4.320 -0.000 0.000 0.217 467 A C 2.199 179.016 177.584 -1.278 0.000 1.186 467 A CA 1.779 53.341 52.037 -0.791 0.000 0.624 467 A CB -0.502 18.123 19.000 -0.625 0.000 0.822 467 A HN 0.541 nan 8.150 nan 0.000 0.444 468 Q N -0.961 118.337 119.800 -0.838 0.000 2.084 468 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 468 Q C 2.128 177.870 176.000 -0.430 0.000 0.978 468 Q CA 1.466 56.920 55.803 -0.582 0.000 0.844 468 Q CB -0.662 27.840 28.738 -0.394 0.000 0.898 468 Q HN 0.605 nan 8.270 nan 0.000 0.426 469 L N 0.900 121.880 121.223 -0.404 0.000 2.042 469 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 469 L C 2.164 178.850 176.870 -0.308 0.000 1.076 469 L CA 2.218 56.890 54.840 -0.279 0.000 0.749 469 L CB -0.910 40.994 42.059 -0.259 0.000 0.893 469 L HN 0.129 nan 8.230 nan 0.000 0.432 470 A N -0.882 121.655 122.820 -0.472 0.000 1.933 470 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 470 A C 2.015 179.449 177.584 -0.250 0.000 1.175 470 A CA 1.889 53.667 52.037 -0.432 0.000 0.628 470 A CB -0.983 17.687 19.000 -0.550 0.000 0.814 470 A HN 0.490 nan 8.150 nan 0.000 0.444 471 F N 0.414 120.295 119.950 -0.117 0.000 2.186 471 F HA -0.040 4.487 4.527 -0.000 0.000 0.299 471 F C 1.804 177.710 175.800 0.176 0.000 1.090 471 F CA 0.019 58.056 58.000 0.061 0.000 1.307 471 F CB -1.086 37.977 39.000 0.106 0.000 1.019 471 F HN 0.162 nan 8.300 nan 0.000 0.489 475 F N 0.916 121.080 119.950 0.357 0.000 2.171 475 F HA -0.030 4.497 4.527 0.000 0.000 0.300 475 F C 1.831 177.817 175.800 0.311 0.000 1.090 475 F CA 2.110 60.401 58.000 0.486 0.000 1.293 475 F CB 0.035 39.326 39.000 0.485 0.000 1.013 475 F HN 0.267 nan 8.300 nan 0.000 0.486 476 L N 0.722 122.163 121.223 0.362 0.000 2.046 476 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 476 L C 2.601 179.531 176.870 0.099 0.000 1.077 476 L CA 1.910 56.884 54.840 0.223 0.000 0.747 476 L CB -0.779 41.390 42.059 0.182 0.000 0.896 476 L HN 0.128 nan 8.230 nan 0.000 0.432 477 R N -1.040 119.496 120.500 0.061 0.000 2.081 477 R HA -0.228 4.112 4.340 -0.000 0.000 0.235 477 R C 2.394 178.650 176.300 -0.074 0.000 1.131 477 R CA 2.049 58.148 56.100 -0.001 0.000 0.960 477 R CB -0.334 29.956 30.300 -0.017 0.000 0.856 477 R HN 0.602 nan 8.270 nan 0.000 0.436 478 Q N -1.256 118.458 119.800 -0.143 0.000 2.096 478 Q HA -0.131 4.209 4.340 -0.000 0.000 0.197 478 Q C 0.639 176.309 176.000 -0.550 0.000 0.964 478 Q CA 1.296 56.868 55.803 -0.386 0.000 0.838 478 Q CB 0.247 28.698 28.738 -0.478 0.000 0.906 478 Q HN 0.465 nan 8.270 nan 0.000 0.444 479 Y N -1.851 118.310 120.300 -0.231 0.000 2.471 479 Y HA 0.346 4.896 4.550 0.000 0.000 0.249 479 Y C 1.025 176.885 175.900 -0.066 0.000 1.116 479 Y CA 0.217 58.179 58.100 -0.230 0.000 1.240 479 Y CB 1.345 39.472 38.460 -0.555 0.000 1.251 479 Y HN 0.237 nan 8.280 nan 0.000 0.527 480 G N 1.095 109.959 108.800 0.105 0.000 2.198 480 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 480 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 480 G C -0.091 174.915 174.900 0.176 0.000 1.025 480 G CA 0.344 45.518 45.100 0.124 0.000 0.769 480 G HN 0.400 nan 8.290 nan 0.000 0.507 481 Q N -1.109 118.859 119.800 0.280 0.000 2.495 481 Q HA 0.675 5.014 4.340 -0.000 0.000 0.287 481 Q C -0.831 175.390 176.000 0.368 0.000 1.078 481 Q CA -0.740 55.248 55.803 0.307 0.000 0.793 481 Q CB 1.969 30.922 28.738 0.358 0.000 1.459 481 Q HN 0.162 nan 8.270 nan 0.000 0.422 482 T N 1.246 115.934 114.554 0.224 0.000 2.770 482 T HA 0.558 4.908 4.350 -0.000 0.000 0.283 482 T C -0.517 174.224 174.700 0.068 0.000 0.988 482 T CA -0.590 61.600 62.100 0.150 0.000 0.957 482 T CB 0.848 69.776 68.868 0.099 0.000 0.930 482 T HN 0.432 nan 8.240 nan 0.000 0.443 483 V N 0.266 120.152 119.914 -0.048 0.000 3.074 483 V HA 0.987 5.107 4.120 -0.000 0.000 0.314 483 V C 0.110 176.147 176.094 -0.094 0.000 1.117 483 V CA -1.783 60.445 62.300 -0.120 0.000 1.014 483 V CB 1.299 32.920 31.823 -0.338 0.000 1.057 483 V HN 0.982 nan 8.190 nan 0.000 0.438 484 A N 1.484 124.275 122.820 -0.048 0.000 2.548 484 A HA 0.560 4.880 4.320 -0.000 0.000 0.247 484 A C 0.461 178.040 177.584 -0.008 0.000 1.067 484 A CA 0.551 52.591 52.037 0.005 0.000 0.757 484 A CB -0.730 18.294 19.000 0.040 0.000 0.996 484 A HN 1.125 nan 8.150 nan 0.000 0.504 485 T N 2.148 116.730 114.554 0.046 0.000 2.886 485 T HA 0.514 4.864 4.350 -0.000 0.000 0.292 485 T C -1.250 173.533 174.700 0.140 0.000 1.012 485 T CA -0.090 62.055 62.100 0.076 0.000 0.982 485 T CB 1.039 69.951 68.868 0.073 0.000 1.018 485 T HN 0.527 nan 8.240 nan 0.000 0.451 486 Y N 1.767 122.085 120.300 0.030 0.000 2.391 486 Y HA 0.595 5.145 4.550 -0.000 0.000 0.341 486 Y C -0.392 175.539 175.900 0.053 0.000 0.965 486 Y CA -0.647 57.467 58.100 0.022 0.000 1.067 486 Y CB 1.300 39.759 38.460 -0.002 0.000 1.199 486 Y HN 0.672 nan 8.280 nan 0.000 0.450 487 E N 4.044 124.183 120.200 -0.102 0.000 2.292 487 E HA 0.356 4.706 4.350 -0.000 0.000 0.272 487 E C -1.563 174.891 176.600 -0.243 0.000 0.881 487 E CA -0.675 55.733 56.400 0.014 0.000 0.754 487 E CB 1.939 31.709 29.700 0.116 0.000 1.201 487 E HN 0.588 nan 8.360 nan 0.000 0.425 488 S N 2.498 118.159 115.700 -0.064 0.000 2.586 488 S HA 0.458 4.928 4.470 -0.000 0.000 0.274 488 S C -0.925 173.592 174.600 -0.138 0.000 1.281 488 S CA -0.508 57.622 58.200 -0.117 0.000 1.035 488 S CB 0.956 64.174 63.200 0.029 0.000 0.962 488 S HN 0.579 nan 8.310 nan 0.000 0.512 489 C N 3.397 122.587 119.300 -0.184 0.000 2.547 489 C HA 0.708 5.168 4.460 -0.000 0.000 0.313 489 C C 0.227 175.112 174.990 -0.175 0.000 1.191 489 C CA -0.619 58.294 59.018 -0.174 0.000 1.474 489 C CB 0.986 28.609 27.740 -0.195 0.000 2.081 489 C HN 0.904 nan 8.230 nan 0.000 0.476 490 S N 2.263 117.868 115.700 -0.159 0.000 2.531 490 S HA 0.338 4.808 4.470 -0.000 0.000 0.279 490 S C 1.053 175.577 174.600 -0.126 0.000 1.305 490 S CA 0.387 58.501 58.200 -0.143 0.000 1.058 490 S CB 0.503 63.628 63.200 -0.125 0.000 0.899 490 S HN 1.000 nan 8.310 nan 0.000 0.493 491 T N 2.221 116.719 114.554 -0.095 0.000 3.243 491 T HA 0.418 4.768 4.350 -0.000 0.000 0.264 491 T C 1.072 175.820 174.700 0.080 0.000 1.000 491 T CA 0.027 62.143 62.100 0.026 0.000 0.901 491 T CB 0.215 69.084 68.868 0.000 0.000 1.083 491 T HN 0.587 nan 8.240 nan 0.000 0.559 492 A N 0.776 123.591 122.820 -0.008 0.000 2.239 492 A HA 0.574 4.894 4.320 -0.000 0.000 0.209 492 A C 2.388 179.956 177.584 -0.027 0.000 1.171 492 A CA 0.682 52.728 52.037 0.015 0.000 0.768 492 A CB -0.795 18.221 19.000 0.027 0.000 0.790 492 A HN 0.743 nan 8.150 nan 0.000 0.478 493 A N -0.953 121.776 122.820 -0.151 0.000 2.172 493 A HA 0.308 4.628 4.320 -0.000 0.000 0.216 493 A C 0.401 177.675 177.584 -0.517 0.000 1.154 493 A CA 0.414 52.254 52.037 -0.328 0.000 0.701 493 A CB -0.388 18.293 19.000 -0.531 0.000 0.789 493 A HN 0.376 nan 8.150 nan 0.000 0.465 494 F N -1.172 118.741 119.950 -0.061 0.000 2.483 494 F HA 0.524 5.051 4.527 -0.000 0.000 0.329 494 F C 0.418 176.173 175.800 -0.075 0.000 1.064 494 F CA -1.490 56.444 58.000 -0.110 0.000 0.986 494 F CB 0.992 39.924 39.000 -0.113 0.000 1.218 494 F HN -0.195 nan 8.300 nan 0.000 0.484 495 K N 1.312 121.757 120.400 0.075 0.000 2.453 495 K HA -0.026 4.294 4.320 -0.000 0.000 0.280 495 K C 0.130 176.791 176.600 0.101 0.000 1.045 495 K CA 0.746 57.036 56.287 0.006 0.000 1.059 495 K CB -0.861 31.565 32.500 -0.122 0.000 0.901 495 K HN 0.687 nan 8.250 nan 0.000 0.475 496 H N 0.930 120.035 119.070 0.059 0.000 2.776 496 H HA -0.198 4.358 4.556 -0.000 0.000 0.300 496 H C 0.562 175.894 175.328 0.007 0.000 1.161 496 H CA -0.108 55.975 56.048 0.059 0.000 1.147 496 H CB -1.217 28.578 29.762 0.054 0.000 1.366 496 H HN 0.785 nan 8.280 nan 0.000 0.397 497 G N -0.084 108.798 108.800 0.136 0.000 2.544 497 G HA2 0.310 4.270 3.960 -0.000 0.000 0.242 497 G HA3 0.310 4.270 3.960 -0.000 0.000 0.242 497 G C 0.681 175.554 174.900 -0.044 0.000 1.247 497 G CA -0.362 44.767 45.100 0.047 0.000 0.840 497 G HN 0.121 nan 8.290 nan 0.000 0.578 498 R N -0.565 119.836 120.500 -0.164 0.000 2.642 498 R HA 0.503 4.843 4.340 -0.000 0.000 0.103 498 R C 0.566 176.691 176.300 -0.293 0.000 1.144 498 R CA 0.345 56.279 56.100 -0.277 0.000 0.955 498 R CB -0.473 29.544 30.300 -0.473 0.000 0.817 498 R HN 0.708 nan 8.270 nan 0.000 0.381 499 T N -0.954 113.327 114.554 -0.455 0.000 2.887 499 T HA 0.669 5.019 4.350 -0.000 0.000 0.292 499 T C -0.909 173.522 174.700 -0.449 0.000 1.087 499 T CA -0.710 61.165 62.100 -0.375 0.000 1.009 499 T CB 2.787 71.470 68.868 -0.308 0.000 1.203 499 T HN 0.160 nan 8.240 nan 0.000 0.518 500 E N -0.187 119.807 120.200 -0.343 0.000 2.343 500 E HA 0.568 4.918 4.350 -0.000 0.000 0.270 500 E C -1.182 175.195 176.600 -0.371 0.000 0.895 500 E CA -0.571 55.622 56.400 -0.345 0.000 0.767 500 E CB 2.127 31.671 29.700 -0.260 0.000 1.248 500 E HN 0.726 nan 8.360 nan 0.000 0.440 501 T N 3.484 117.775 114.554 -0.438 0.000 2.749 501 T HA 0.417 4.767 4.350 -0.000 0.000 0.295 501 T C 0.280 174.701 174.700 -0.465 0.000 0.936 501 T CA -0.269 61.467 62.100 -0.607 0.000 1.060 501 T CB -0.098 68.359 68.868 -0.685 0.000 0.904 501 T HN 0.331 nan 8.240 nan 0.000 0.500 502 I N 3.789 124.117 120.570 -0.403 0.000 2.395 502 I HA 0.258 4.428 4.170 -0.000 0.000 0.289 502 I C 0.774 176.762 176.117 -0.216 0.000 1.023 502 I CA -0.553 60.578 61.300 -0.283 0.000 1.350 502 I CB 0.607 38.456 38.000 -0.252 0.000 1.409 502 I HN 0.220 nan 8.210 nan 0.000 0.507 503 R N 7.488 127.921 120.500 -0.111 0.000 2.369 503 R HA 0.268 4.608 4.340 -0.000 0.000 0.310 503 R C -1.995 174.366 176.300 0.102 0.000 1.141 503 R CA -1.836 54.272 56.100 0.015 0.000 1.116 503 R CB 0.693 31.070 30.300 0.128 0.000 1.135 503 R HN 0.360 nan 8.270 nan 0.000 0.529 504 P HA -0.008 nan 4.420 nan 0.000 0.225 504 P C 0.063 177.476 177.300 0.188 0.000 1.156 504 P CA 0.511 63.760 63.100 0.249 0.000 0.787 504 P CB 0.421 32.269 31.700 0.247 0.000 0.802 505 A N 0.599 123.501 122.820 0.137 0.000 2.457 505 A HA 0.446 4.766 4.320 -0.000 0.000 0.298 505 A C 0.631 178.275 177.584 0.100 0.000 1.288 505 A CA 0.058 52.157 52.037 0.103 0.000 0.956 505 A CB -0.665 18.379 19.000 0.074 0.000 1.135 505 A HN 0.241 nan 8.150 nan 0.000 0.535 506 S N 1.961 117.711 115.700 0.083 0.000 2.677 506 S HA 0.612 5.082 4.470 -0.000 0.000 0.304 506 S C 0.894 175.444 174.600 -0.083 0.000 1.108 506 S CA -0.670 57.532 58.200 0.003 0.000 0.944 506 S CB 0.697 63.913 63.200 0.026 0.000 1.127 506 S HN 0.413 nan 8.310 nan 0.000 0.511 507 I N 0.177 120.601 120.570 -0.243 0.000 2.194 507 I HA -0.170 4.000 4.170 -0.000 0.000 0.246 507 I C 1.695 177.822 176.117 0.016 0.000 1.093 507 I CA 1.615 62.809 61.300 -0.177 0.000 1.355 507 I CB -0.393 37.423 38.000 -0.307 0.000 1.046 507 I HN 0.548 nan 8.210 nan 0.000 0.413 508 F N 0.857 120.690 119.950 -0.196 0.000 2.163 508 F HA -0.166 4.361 4.527 -0.000 0.000 0.297 508 F C 3.003 178.759 175.800 -0.073 0.000 1.094 508 F CA 1.667 59.583 58.000 -0.140 0.000 1.290 508 F CB -1.904 37.000 39.000 -0.160 0.000 1.017 508 F HN 0.208 nan 8.300 nan 0.000 0.483 509 T N -1.824 112.819 114.554 0.148 0.000 2.867 509 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 509 T C 2.017 176.755 174.700 0.064 0.000 1.057 509 T CA 1.350 63.498 62.100 0.079 0.000 1.136 509 T CB -0.391 68.515 68.868 0.064 0.000 0.874 509 T HN 0.221 nan 8.240 nan 0.000 0.466 510 K N 1.068 121.507 120.400 0.064 0.000 2.026 510 K HA -0.077 4.243 4.320 -0.000 0.000 0.208 510 K C 2.733 179.367 176.600 0.058 0.000 1.048 510 K CA 1.033 57.355 56.287 0.059 0.000 0.929 510 K CB -0.206 32.318 32.500 0.039 0.000 0.713 510 K HN 0.332 nan 8.250 nan 0.000 0.439 511 R N 0.227 120.761 120.500 0.057 0.000 2.083 511 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 511 R C 2.492 178.802 176.300 0.017 0.000 1.137 511 R CA 1.964 58.086 56.100 0.036 0.000 0.951 511 R CB -0.735 29.588 30.300 0.038 0.000 0.851 511 R HN 0.413 nan 8.270 nan 0.000 0.434 512 C N 0.202 119.520 119.300 0.030 0.000 2.446 512 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 512 C C 2.795 177.876 174.990 0.152 0.000 1.275 512 C CA 1.435 60.495 59.018 0.070 0.000 1.727 512 C CB -0.830 26.936 27.740 0.045 0.000 2.010 512 C HN 0.619 nan 8.230 nan 0.000 0.486 513 S N 0.302 116.054 115.700 0.087 0.000 2.368 513 S HA -0.200 4.270 4.470 -0.000 0.000 0.225 513 S C 1.697 176.375 174.600 0.131 0.000 1.030 513 S CA 1.830 60.088 58.200 0.097 0.000 0.999 513 S CB -0.485 62.760 63.200 0.075 0.000 0.844 513 S HN 0.776 nan 8.310 nan 0.000 0.459 514 E N 1.867 122.126 120.200 0.099 0.000 2.085 514 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 514 E C 1.990 178.646 176.600 0.093 0.000 0.994 514 E CA 1.346 57.801 56.400 0.091 0.000 0.801 514 E CB -0.501 29.242 29.700 0.072 0.000 0.743 514 E HN 0.409 nan 8.360 nan 0.000 0.453 515 A N -0.361 122.483 122.820 0.041 0.000 1.877 515 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 515 A C 2.127 179.714 177.584 0.004 0.000 1.186 515 A CA 1.564 53.554 52.037 -0.078 0.000 0.620 515 A CB -0.991 17.729 19.000 -0.466 0.000 0.822 515 A HN 0.378 nan 8.150 nan 0.000 0.443 516 F N -0.536 119.395 119.950 -0.031 0.000 2.146 516 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 516 F C 2.399 178.210 175.800 0.018 0.000 1.096 516 F CA 1.641 59.640 58.000 -0.002 0.000 1.275 516 F CB -0.167 38.824 39.000 -0.016 0.000 1.008 516 F HN 0.037 nan 8.300 nan 0.000 0.480 517 V N -0.557 119.485 119.914 0.213 0.000 2.426 517 V HA -0.078 4.042 4.120 -0.000 0.000 0.242 517 V C 2.173 178.322 176.094 0.092 0.000 1.036 517 V CA 1.468 63.847 62.300 0.132 0.000 1.044 517 V CB -0.305 31.583 31.823 0.109 0.000 0.688 517 V HN 0.173 nan 8.190 nan 0.000 0.462 518 R N 0.832 121.387 120.500 0.092 0.000 2.175 518 R HA 0.067 4.407 4.340 -0.000 0.000 0.202 518 R C 0.036 176.377 176.300 0.068 0.000 1.018 518 R CA 1.107 57.250 56.100 0.072 0.000 1.029 518 R CB 0.089 30.431 30.300 0.071 0.000 0.959 518 R HN 0.653 nan 8.270 nan 0.000 0.480 519 D N -0.132 120.324 120.400 0.092 0.000 2.938 519 D HA 0.111 4.751 4.640 -0.000 0.000 0.369 519 D C -2.094 174.271 176.300 0.108 0.000 1.301 519 D CA -1.500 52.553 54.000 0.089 0.000 0.805 519 D CB 0.821 41.684 40.800 0.105 0.000 1.161 519 D HN -0.052 nan 8.370 nan 0.000 0.474 520 P HA -0.199 nan 4.420 nan 0.000 0.218 520 P C 1.382 178.677 177.300 -0.008 0.000 1.149 520 P CA 1.166 64.267 63.100 0.003 0.000 0.817 520 P CB 0.178 31.874 31.700 -0.008 0.000 0.785 521 S N -0.699 114.992 115.700 -0.015 0.000 2.522 521 S HA 0.033 4.503 4.470 -0.000 0.000 0.227 521 S C 1.718 176.268 174.600 -0.084 0.000 0.986 521 S CA 0.341 58.517 58.200 -0.040 0.000 0.929 521 S CB -0.705 62.476 63.200 -0.033 0.000 0.769 521 S HN 0.171 nan 8.310 nan 0.000 0.529 522 K N 0.232 120.546 120.400 -0.143 0.000 2.418 522 K HA 0.129 4.449 4.320 -0.000 0.000 0.195 522 K C -0.388 175.892 176.600 -0.534 0.000 1.035 522 K CA 0.489 56.569 56.287 -0.346 0.000 1.003 522 K CB 0.027 32.244 32.500 -0.472 0.000 0.793 522 K HN 0.593 nan 8.250 nan 0.000 0.494 523 H N -0.741 118.283 119.070 -0.076 0.000 2.637 523 H HA 0.148 4.704 4.556 -0.000 0.000 0.363 523 H C -0.320 174.954 175.328 -0.089 0.000 1.131 523 H CA -0.765 55.232 56.048 -0.084 0.000 1.183 523 H CB 1.644 31.338 29.762 -0.114 0.000 1.637 523 H HN -0.027 nan 8.280 nan 0.000 0.531 524 S N 0.786 116.512 115.700 0.044 0.000 2.614 524 S HA 0.042 4.512 4.470 -0.000 0.000 0.265 524 S C 1.419 176.016 174.600 -0.005 0.000 1.303 524 S CA -0.504 57.699 58.200 0.006 0.000 1.000 524 S CB 1.451 64.652 63.200 0.002 0.000 0.935 524 S HN 0.484 nan 8.310 nan 0.000 0.551 525 V N 2.508 122.413 119.914 -0.014 0.000 2.392 525 V HA -0.029 4.091 4.120 -0.000 0.000 0.249 525 V C 2.257 178.352 176.094 0.001 0.000 1.059 525 V CA 2.633 64.924 62.300 -0.015 0.000 1.051 525 V CB -1.439 30.386 31.823 0.003 0.000 0.658 525 V HN 1.082 nan 8.190 nan 0.000 0.455 526 G N -1.093 107.711 108.800 0.006 0.000 2.422 526 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 526 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 526 G C 1.398 176.316 174.900 0.030 0.000 1.146 526 G CA 0.910 46.018 45.100 0.014 0.000 0.769 526 G HN 0.606 nan 8.290 nan 0.000 0.547 527 E N -0.045 120.172 120.200 0.028 0.000 2.072 527 E HA -0.008 4.341 4.350 -0.000 0.000 0.191 527 E C 2.568 179.177 176.600 0.015 0.000 0.985 527 E CA 0.427 56.856 56.400 0.049 0.000 0.801 527 E CB -0.159 29.591 29.700 0.084 0.000 0.750 527 E HN 0.382 nan 8.360 nan 0.000 0.452 528 L N 0.727 121.927 121.223 -0.037 0.000 2.046 528 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 528 L C 2.524 179.420 176.870 0.043 0.000 1.077 528 L CA 1.270 56.070 54.840 -0.066 0.000 0.747 528 L CB -0.409 41.524 42.059 -0.210 0.000 0.896 528 L HN 0.166 nan 8.230 nan 0.000 0.432 529 Q N -1.089 118.737 119.800 0.045 0.000 2.050 529 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 529 Q C 1.023 177.044 176.000 0.035 0.000 0.980 529 Q CA 1.047 56.877 55.803 0.046 0.000 0.840 529 Q CB -0.247 28.512 28.738 0.036 0.000 0.898 529 Q HN 0.445 nan 8.270 nan 0.000 0.424 534 E N 0.493 120.498 120.200 -0.324 0.000 2.077 534 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 534 E C 1.972 178.569 176.600 -0.004 0.000 0.989 534 E CA 1.571 57.751 56.400 -0.367 0.000 0.800 534 E CB -0.537 28.574 29.700 -0.981 0.000 0.746 534 E HN 0.662 nan 8.360 nan 0.000 0.452 535 C N 0.555 119.851 119.300 -0.006 0.000 2.398 535 C HA -0.137 4.323 4.460 -0.000 0.000 0.276 535 C C 3.139 178.246 174.990 0.195 0.000 1.222 535 C CA 1.353 60.474 59.018 0.172 0.000 1.746 535 C CB -1.001 26.767 27.740 0.046 0.000 2.039 535 C HN 0.452 nan 8.230 nan 0.000 0.470 536 S N 0.114 115.865 115.700 0.085 0.000 2.356 536 S HA -0.216 4.254 4.470 -0.000 0.000 0.223 536 S C 2.007 176.690 174.600 0.139 0.000 1.032 536 S CA 2.000 60.250 58.200 0.083 0.000 1.005 536 S CB -0.370 62.838 63.200 0.013 0.000 0.867 536 S HN 0.687 nan 8.310 nan 0.000 0.449 537 K N -0.819 119.662 120.400 0.135 0.000 2.032 537 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 537 K C 2.079 178.802 176.600 0.206 0.000 1.048 537 K CA 1.870 58.246 56.287 0.149 0.000 0.927 537 K CB -0.512 32.076 32.500 0.146 0.000 0.712 537 K HN 0.525 nan 8.250 nan 0.000 0.441 538 Y N 0.472 120.881 120.300 0.182 0.000 2.200 538 Y HA -0.209 4.341 4.550 -0.000 0.000 0.290 538 Y C 2.296 178.247 175.900 0.085 0.000 1.137 538 Y CA 2.178 60.357 58.100 0.131 0.000 1.163 538 Y CB -0.411 38.129 38.460 0.132 0.000 0.988 538 Y HN 0.323 nan 8.280 nan 0.000 0.518 539 H N -0.743 118.387 119.070 0.100 0.000 2.353 539 H HA -0.076 4.480 4.556 0.000 0.000 0.300 539 H C 2.406 177.693 175.328 -0.067 0.000 1.090 539 H CA 1.847 57.891 56.048 -0.007 0.000 1.327 539 H CB -0.692 29.091 29.762 0.035 0.000 1.383 539 H HN 0.422 nan 8.280 nan 0.000 0.508 540 G N -0.379 108.436 108.800 0.025 0.000 2.440 540 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.218 540 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.218 540 G C 1.706 176.535 174.900 -0.118 0.000 1.154 540 G CA 1.046 46.123 45.100 -0.037 0.000 0.767 540 G HN 0.426 nan 8.290 nan 0.000 0.552 541 Q N 0.225 119.942 119.800 -0.138 0.000 2.050 541 Q HA 0.056 4.396 4.340 -0.000 0.000 0.202 541 Q C 2.519 178.363 176.000 -0.260 0.000 0.980 541 Q CA 1.130 56.827 55.803 -0.178 0.000 0.840 541 Q CB -0.474 28.156 28.738 -0.181 0.000 0.898 541 Q HN 0.503 nan 8.270 nan 0.000 0.424 542 L N -0.462 120.523 121.223 -0.395 0.000 2.083 542 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 542 L C 2.264 178.952 176.870 -0.304 0.000 1.083 542 L CA 1.617 56.233 54.840 -0.375 0.000 0.752 542 L CB -0.754 41.040 42.059 -0.442 0.000 0.899 542 L HN 0.292 nan 8.230 nan 0.000 0.433 543 T N -0.558 113.796 114.554 -0.332 0.000 2.708 543 T HA -0.240 4.110 4.350 -0.000 0.000 0.266 543 T C 1.935 176.519 174.700 -0.194 0.000 1.037 543 T CA 1.479 63.417 62.100 -0.270 0.000 1.146 543 T CB -0.096 68.626 68.868 -0.244 0.000 0.865 543 T HN 0.242 nan 8.240 nan 0.000 0.435 544 K N 0.950 121.254 120.400 -0.161 0.000 2.026 544 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 544 K C 2.243 178.776 176.600 -0.112 0.000 1.048 544 K CA 1.511 57.724 56.287 -0.124 0.000 0.929 544 K CB -0.057 32.390 32.500 -0.088 0.000 0.713 544 K HN 0.400 nan 8.250 nan 0.000 0.439 545 E N -0.058 120.071 120.200 -0.119 0.000 2.058 545 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 545 E C 1.969 178.510 176.600 -0.099 0.000 0.997 545 E CA 1.211 57.555 56.400 -0.094 0.000 0.801 545 E CB -0.141 29.502 29.700 -0.096 0.000 0.746 545 E HN 0.441 nan 8.360 nan 0.000 0.450 546 A N 1.660 124.397 122.820 -0.139 0.000 1.902 546 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 546 A C 1.591 179.099 177.584 -0.126 0.000 1.181 546 A CA 1.092 53.038 52.037 -0.152 0.000 0.623 546 A CB -0.582 18.296 19.000 -0.204 0.000 0.818 546 A HN 0.289 nan 8.150 nan 0.000 0.443 550 Q N 1.122 120.880 119.800 -0.070 0.000 2.201 550 Q HA 0.290 4.630 4.340 -0.000 0.000 0.236 550 Q C 1.147 177.144 176.000 -0.004 0.000 0.857 550 Q CA 0.022 55.809 55.803 -0.028 0.000 1.025 550 Q CB 1.266 29.989 28.738 -0.026 0.000 1.124 550 Q HN 0.431 nan 8.270 nan 0.000 0.473 551 G N 0.117 108.894 108.800 -0.039 0.000 2.621 551 G HA2 0.223 4.183 3.960 -0.000 0.000 0.271 551 G HA3 0.223 4.183 3.960 -0.000 0.000 0.271 551 G C 0.305 175.257 174.900 0.086 0.000 1.236 551 G CA -0.358 44.714 45.100 -0.048 0.000 0.958 551 G HN 0.339 nan 8.290 nan 0.000 0.512 552 F N -2.698 117.300 119.950 0.079 0.000 2.694 552 F HA 0.329 4.856 4.527 -0.000 0.000 0.292 552 F C 1.539 177.442 175.800 0.171 0.000 1.121 552 F CA 0.232 58.319 58.000 0.144 0.000 1.352 552 F CB 0.134 39.228 39.000 0.157 0.000 1.107 552 F HN 0.299 nan 8.300 nan 0.000 0.597 553 D N 1.492 121.618 120.400 -0.457 0.000 2.084 553 D HA -0.121 4.519 4.640 -0.000 0.000 0.194 553 D C 2.040 178.419 176.300 0.132 0.000 0.990 553 D CA 1.159 55.046 54.000 -0.189 0.000 0.826 553 D CB -0.046 40.532 40.800 -0.369 0.000 0.971 553 D HN 0.194 nan 8.370 nan 0.000 0.453 554 R N 0.203 120.745 120.500 0.070 0.000 2.075 554 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 554 R C 2.193 178.747 176.300 0.422 0.000 1.126 554 R CA 0.744 56.948 56.100 0.172 0.000 0.963 554 R CB -1.299 28.962 30.300 -0.065 0.000 0.858 554 R HN 0.557 nan 8.270 nan 0.000 0.435 555 H N 0.604 119.856 119.070 0.303 0.000 2.290 555 H HA -0.024 4.532 4.556 -0.000 0.000 0.298 555 H C 2.122 177.642 175.328 0.320 0.000 1.087 555 H CA 1.402 57.641 56.048 0.318 0.000 1.291 555 H CB 0.109 29.997 29.762 0.210 0.000 1.369 555 H HN 0.043 nan 8.280 nan 0.000 0.492 556 L N -0.091 121.332 121.223 0.334 0.000 2.083 556 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 556 L C 2.555 179.662 176.870 0.395 0.000 1.083 556 L CA 1.250 56.269 54.840 0.297 0.000 0.752 556 L CB -0.583 41.647 42.059 0.285 0.000 0.899 556 L HN 0.399 nan 8.230 nan 0.000 0.433 557 Y N 0.959 121.447 120.300 0.314 0.000 2.181 557 Y HA -0.236 4.314 4.550 0.000 0.000 0.288 557 Y C 2.475 178.519 175.900 0.239 0.000 1.146 557 Y CA 1.103 59.357 58.100 0.257 0.000 1.164 557 Y CB -0.400 38.237 38.460 0.295 0.000 0.982 557 Y HN 0.080 nan 8.280 nan 0.000 0.515 558 A N 0.439 123.317 122.820 0.097 0.000 1.933 558 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 558 A C 2.323 179.973 177.584 0.111 0.000 1.175 558 A CA 1.834 53.906 52.037 0.058 0.000 0.628 558 A CB -1.113 18.138 19.000 0.419 0.000 0.814 558 A HN 0.563 nan 8.150 nan 0.000 0.444 559 L N -1.289 120.049 121.223 0.193 0.000 2.056 559 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 559 L C 2.775 179.698 176.870 0.088 0.000 1.078 559 L CA 1.587 56.552 54.840 0.208 0.000 0.749 559 L CB -0.491 41.773 42.059 0.342 0.000 0.901 559 L HN 0.460 nan 8.230 nan 0.000 0.433 560 R N -0.397 120.036 120.500 -0.113 0.000 2.073 560 R HA -0.255 4.085 4.340 -0.000 0.000 0.234 560 R C 2.487 178.641 176.300 -0.243 0.000 1.134 560 R CA 1.901 57.729 56.100 -0.453 0.000 0.952 560 R CB -0.501 29.272 30.300 -0.880 0.000 0.850 560 R HN 0.273 nan 8.270 nan 0.000 0.433 561 Y N 0.871 120.944 120.300 -0.378 0.000 2.181 561 Y HA -0.251 4.299 4.550 -0.000 0.000 0.288 561 Y C 2.005 177.810 175.900 -0.159 0.000 1.146 561 Y CA 1.698 59.605 58.100 -0.321 0.000 1.164 561 Y CB -0.239 37.903 38.460 -0.530 0.000 0.982 561 Y HN 0.176 nan 8.280 nan 0.000 0.515 562 L N 0.651 121.906 121.223 0.052 0.000 2.017 562 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 562 L C 2.474 179.295 176.870 -0.081 0.000 1.073 562 L CA 2.171 57.029 54.840 0.031 0.000 0.745 562 L CB -1.367 40.756 42.059 0.107 0.000 0.894 562 L HN 0.257 nan 8.230 nan 0.000 0.432 563 A N -1.535 121.241 122.820 -0.074 0.000 1.883 563 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 563 A C 2.277 179.787 177.584 -0.123 0.000 1.186 563 A CA 2.483 54.471 52.037 -0.081 0.000 0.624 563 A CB -1.280 17.702 19.000 -0.031 0.000 0.822 563 A HN 0.531 nan 8.150 nan 0.000 0.444 564 T N 0.143 114.592 114.554 -0.175 0.000 2.777 564 T HA 0.042 4.392 4.350 -0.000 0.000 0.266 564 T C 2.226 176.793 174.700 -0.222 0.000 1.040 564 T CA 1.460 63.444 62.100 -0.194 0.000 1.141 564 T CB -0.446 68.283 68.868 -0.231 0.000 0.868 564 T HN 0.599 nan 8.240 nan 0.000 0.444 565 A N 1.799 124.431 122.820 -0.313 0.000 1.972 565 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 565 A C 2.215 179.711 177.584 -0.146 0.000 1.169 565 A CA 1.076 52.948 52.037 -0.275 0.000 0.635 565 A CB -0.287 18.519 19.000 -0.324 0.000 0.810 565 A HN 0.199 nan 8.150 nan 0.000 0.446 566 R N -1.019 119.402 120.500 -0.132 0.000 2.313 566 R HA 0.109 4.449 4.340 -0.000 0.000 0.199 566 R C 1.141 177.386 176.300 -0.090 0.000 0.958 566 R CA 0.695 56.730 56.100 -0.107 0.000 1.047 566 R CB -0.700 29.512 30.300 -0.146 0.000 0.955 566 R HN 0.846 nan 8.270 nan 0.000 0.481 567 G N 1.311 110.056 108.800 -0.092 0.000 2.160 567 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.244 567 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.244 567 G C 0.021 174.884 174.900 -0.062 0.000 1.022 567 G CA -0.044 45.013 45.100 -0.071 0.000 0.741 567 G HN 0.203 nan 8.290 nan 0.000 0.508 568 L N -0.436 120.746 121.223 -0.068 0.000 2.375 568 L HA 0.460 4.800 4.340 -0.000 0.000 0.268 568 L C 0.628 177.475 176.870 -0.039 0.000 1.058 568 L CA -1.334 53.477 54.840 -0.050 0.000 0.803 568 L CB 0.681 42.710 42.059 -0.050 0.000 1.212 568 L HN -0.017 nan 8.230 nan 0.000 0.451 569 N N 1.126 119.813 118.700 -0.022 0.000 2.441 569 N HA 0.130 4.870 4.740 -0.000 0.000 0.251 569 N C -0.432 175.082 175.510 0.006 0.000 1.242 569 N CA -0.355 52.689 53.050 -0.010 0.000 0.898 569 N CB 0.373 38.860 38.487 -0.001 0.000 1.100 569 N HN 0.296 nan 8.380 nan 0.000 0.443 570 L N 3.893 125.122 121.223 0.011 0.000 2.534 570 L HA 0.217 4.557 4.340 -0.000 0.000 0.271 570 L C -1.967 174.964 176.870 0.102 0.000 1.178 570 L CA -1.112 53.752 54.840 0.040 0.000 0.907 570 L CB -0.175 41.899 42.059 0.024 0.000 1.164 570 L HN 0.538 nan 8.230 nan 0.000 0.482 571 P HA 0.023 nan 4.420 nan 0.000 0.268 571 P C 0.289 177.643 177.300 0.090 0.000 1.208 571 P CA -0.046 63.166 63.100 0.187 0.000 0.777 571 P CB 0.461 32.368 31.700 0.347 0.000 0.875 572 E N 0.655 120.871 120.200 0.027 0.000 2.209 572 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 572 E C 1.665 178.183 176.600 -0.135 0.000 0.993 572 E CA 0.668 57.051 56.400 -0.028 0.000 0.819 572 E CB -0.335 29.356 29.700 -0.016 0.000 0.745 572 E HN 0.307 nan 8.360 nan 0.000 0.477 573 L N 0.210 121.248 121.223 -0.308 0.000 2.043 573 L HA -0.242 4.097 4.340 -0.000 0.000 0.212 573 L C 1.753 178.226 176.870 -0.662 0.000 1.075 573 L CA 1.776 56.234 54.840 -0.637 0.000 0.752 573 L CB -0.325 40.920 42.059 -1.357 0.000 0.891 573 L HN 0.130 nan 8.230 nan 0.000 0.432 574 Y N -1.557 118.495 120.300 -0.412 0.000 2.523 574 Y HA 0.093 4.643 4.550 -0.000 0.000 0.279 574 Y C 1.963 177.782 175.900 -0.134 0.000 1.139 574 Y CA 0.328 58.120 58.100 -0.514 0.000 1.296 574 Y CB -0.258 37.900 38.460 -0.502 0.000 1.045 574 Y HN 0.126 nan 8.280 nan 0.000 0.538 575 L N -0.711 120.532 121.223 0.034 0.000 2.529 575 L HA 0.039 4.379 4.340 -0.000 0.000 0.223 575 L C 0.430 177.335 176.870 0.059 0.000 1.113 575 L CA -0.018 54.859 54.840 0.062 0.000 0.861 575 L CB -0.074 42.008 42.059 0.037 0.000 1.012 575 L HN -0.017 nan 8.230 nan 0.000 0.461 576 D N 1.306 121.731 120.400 0.042 0.000 2.531 576 D HA -0.034 4.606 4.640 -0.000 0.000 0.239 576 D C -1.518 174.847 176.300 0.108 0.000 1.144 576 D CA -1.398 52.636 54.000 0.057 0.000 0.869 576 D CB 1.358 42.187 40.800 0.048 0.000 1.160 576 D HN -0.100 nan 8.370 nan 0.000 0.484 577 P HA -0.138 nan 4.420 nan 0.000 0.218 577 P C 0.858 178.204 177.300 0.076 0.000 1.146 577 P CA 1.586 64.724 63.100 0.063 0.000 0.813 577 P CB 0.110 31.826 31.700 0.027 0.000 0.778 578 A N -1.586 121.284 122.820 0.082 0.000 1.972 578 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 578 A C 2.240 179.920 177.584 0.160 0.000 1.169 578 A CA 1.308 53.393 52.037 0.080 0.000 0.635 578 A CB -1.770 17.249 19.000 0.032 0.000 0.810 578 A HN 0.179 nan 8.150 nan 0.000 0.446 579 Y N 0.572 120.953 120.300 0.135 0.000 2.200 579 Y HA -0.204 4.346 4.550 0.000 0.000 0.290 579 Y C 2.503 178.510 175.900 0.178 0.000 1.137 579 Y CA 2.027 60.255 58.100 0.214 0.000 1.163 579 Y CB -0.070 38.482 38.460 0.154 0.000 0.988 579 Y HN 0.324 nan 8.280 nan 0.000 0.518 580 Q N 0.832 120.753 119.800 0.201 0.000 2.084 580 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 580 Q C 1.132 177.155 176.000 0.039 0.000 0.978 580 Q CA 1.272 57.139 55.803 0.106 0.000 0.844 580 Q CB -0.826 27.976 28.738 0.107 0.000 0.898 580 Q HN 0.630 nan 8.270 nan 0.000 0.426 584 H N 1.434 120.478 119.070 -0.042 0.000 2.680 584 H HA 0.315 4.871 4.556 -0.000 0.000 0.260 584 H C -0.878 174.419 175.328 -0.052 0.000 1.328 584 H CA -0.260 55.759 56.048 -0.048 0.000 1.269 584 H CB 0.039 29.774 29.762 -0.045 0.000 1.446 584 H HN 0.104 nan 8.280 nan 0.000 0.527 585 N N 6.554 125.165 118.700 -0.148 0.000 2.555 585 N HA 0.031 4.771 4.740 -0.000 0.000 0.244 585 N C 1.544 176.965 175.510 -0.149 0.000 1.114 585 N CA -0.059 52.941 53.050 -0.083 0.000 0.963 585 N CB 0.922 39.389 38.487 -0.034 0.000 1.276 585 N HN 0.649 nan 8.380 nan 0.000 0.510 586 I N 0.772 121.259 120.570 -0.138 0.000 2.226 586 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 586 I C 0.734 176.733 176.117 -0.197 0.000 1.100 586 I CA 1.129 62.307 61.300 -0.202 0.000 1.374 586 I CB 0.151 38.009 38.000 -0.237 0.000 1.057 586 I HN 0.275 nan 8.210 nan 0.000 0.413 587 L N 0.978 122.099 121.223 -0.169 0.000 2.287 587 L HA 0.249 4.589 4.340 -0.000 0.000 0.280 587 L C 0.030 176.910 176.870 0.017 0.000 1.055 587 L CA -0.124 54.664 54.840 -0.086 0.000 0.863 587 L CB 0.918 42.923 42.059 -0.091 0.000 1.245 587 L HN -0.007 nan 8.230 nan 0.000 0.432 588 S N 2.199 117.926 115.700 0.044 0.000 2.433 588 S HA 0.658 5.128 4.470 -0.000 0.000 0.310 588 S C -0.106 174.670 174.600 0.293 0.000 1.097 588 S CA -0.479 57.812 58.200 0.151 0.000 1.103 588 S CB 0.922 64.189 63.200 0.112 0.000 0.992 588 S HN 0.642 nan 8.310 nan 0.000 0.469 589 T N 1.274 116.023 114.554 0.325 0.000 2.907 589 T HA 0.807 5.157 4.350 -0.000 0.000 0.292 589 T C -0.557 174.358 174.700 0.357 0.000 1.043 589 T CA -0.764 61.574 62.100 0.397 0.000 1.003 589 T CB 1.742 70.823 68.868 0.356 0.000 1.084 589 T HN 0.498 nan 8.240 nan 0.000 0.483 590 S N 0.247 116.173 115.700 0.377 0.000 2.535 590 S HA 0.666 5.136 4.470 -0.000 0.000 0.272 590 S C -1.181 173.303 174.600 -0.194 0.000 1.149 590 S CA -0.526 57.696 58.200 0.037 0.000 0.888 590 S CB 1.924 64.972 63.200 -0.252 0.000 1.110 590 S HN 1.163 nan 8.310 nan 0.000 0.463 591 T N 3.544 117.864 114.554 -0.390 0.000 2.896 591 T HA 0.812 5.162 4.350 -0.000 0.000 0.297 591 T C -1.726 172.758 174.700 -0.359 0.000 1.108 591 T CA -0.491 61.241 62.100 -0.614 0.000 1.004 591 T CB 0.884 69.123 68.868 -1.049 0.000 1.159 591 T HN 0.566 nan 8.240 nan 0.000 0.499 592 L N 3.032 124.052 121.223 -0.339 0.000 2.422 592 L HA 0.606 4.946 4.340 -0.000 0.000 0.264 592 L C -0.683 176.042 176.870 -0.242 0.000 0.984 592 L CA -1.102 53.584 54.840 -0.257 0.000 0.819 592 L CB 2.360 44.262 42.059 -0.262 0.000 1.330 592 L HN 0.568 nan 8.230 nan 0.000 0.410 593 N N 1.903 120.499 118.700 -0.173 0.000 2.626 593 N HA 0.391 5.131 4.740 -0.000 0.000 0.249 593 N C -1.327 174.140 175.510 -0.072 0.000 1.021 593 N CA -0.175 52.791 53.050 -0.140 0.000 0.886 593 N CB 2.064 40.488 38.487 -0.105 0.000 1.149 593 N HN 0.518 nan 8.380 nan 0.000 0.517 594 S N 1.806 117.475 115.700 -0.052 0.000 2.543 594 S HA 0.434 4.903 4.470 -0.000 0.000 0.273 594 S C -2.237 172.380 174.600 0.028 0.000 1.152 594 S CA -0.981 57.219 58.200 0.001 0.000 0.910 594 S CB 1.591 64.784 63.200 -0.010 0.000 1.105 594 S HN 0.178 nan 8.310 nan 0.000 0.465 595 P HA 0.153 nan 4.420 nan 0.000 0.230 595 P C 0.992 178.214 177.300 -0.130 0.000 1.158 595 P CA 0.659 63.782 63.100 0.037 0.000 0.769 595 P CB -0.030 31.726 31.700 0.093 0.000 0.807 596 A N -0.300 122.404 122.820 -0.194 0.000 2.123 596 A HA 0.117 4.437 4.320 -0.000 0.000 0.214 596 A C 1.103 178.588 177.584 -0.165 0.000 1.152 596 A CA 0.410 52.077 52.037 -0.617 0.000 0.728 596 A CB -0.419 18.457 19.000 -0.207 0.000 0.814 596 A HN 0.083 nan 8.150 nan 0.000 0.464 597 V N 0.625 120.559 119.914 0.034 0.000 2.383 597 V HA 0.223 4.343 4.120 -0.000 0.000 0.275 597 V C 1.434 177.581 176.094 0.088 0.000 1.036 597 V CA 0.433 62.775 62.300 0.070 0.000 0.889 597 V CB 1.129 32.883 31.823 -0.115 0.000 0.985 597 V HN 0.473 nan 8.190 nan 0.000 0.459 598 S N 5.332 121.114 115.700 0.137 0.000 2.348 598 S HA 0.206 4.676 4.470 -0.000 0.000 0.219 598 S C 0.446 175.156 174.600 0.182 0.000 1.033 598 S CA 1.179 59.481 58.200 0.170 0.000 0.974 598 S CB -0.027 63.287 63.200 0.190 0.000 0.868 598 S HN 0.670 nan 8.310 nan 0.000 0.459 599 L N -3.314 117.996 121.223 0.144 0.000 2.838 599 L HA 0.879 5.219 4.340 -0.000 0.000 0.266 599 L C -0.466 176.375 176.870 -0.048 0.000 1.040 599 L CA -1.037 53.857 54.840 0.090 0.000 0.906 599 L CB 1.223 43.376 42.059 0.157 0.000 1.501 599 L HN 0.115 nan 8.230 nan 0.000 0.407 600 G N -1.422 107.236 108.800 -0.236 0.000 2.818 600 G HA2 0.871 4.831 3.960 -0.000 0.000 0.286 600 G HA3 0.871 4.831 3.960 -0.000 0.000 0.286 600 G C -1.073 173.353 174.900 -0.790 0.000 1.364 600 G CA -0.614 44.092 45.100 -0.656 0.000 0.938 600 G HN 1.173 nan 8.290 nan 0.000 0.490 601 G N -1.520 106.607 108.800 -1.121 0.000 2.632 601 G HA2 0.753 4.713 3.960 -0.000 0.000 0.292 601 G HA3 0.753 4.713 3.960 -0.000 0.000 0.292 601 G C -1.374 173.442 174.900 -0.140 0.000 1.465 601 G CA -0.391 44.387 45.100 -0.537 0.000 0.824 601 G HN 1.520 nan 8.290 nan 0.000 0.509 602 F N -0.823 119.014 119.950 -0.188 0.000 2.678 602 F HA 0.861 5.388 4.527 0.000 0.000 0.308 602 F C 0.003 175.723 175.800 -0.133 0.000 1.118 602 F CA -1.269 56.646 58.000 -0.141 0.000 0.959 602 F CB 0.970 39.859 39.000 -0.185 0.000 1.305 602 F HN 0.924 nan 8.300 nan 0.000 0.443 603 A N 1.487 124.275 122.820 -0.053 0.000 2.272 603 A HA 0.819 5.139 4.320 -0.000 0.000 0.275 603 A C -2.687 174.776 177.584 -0.202 0.000 1.096 603 A CA -1.802 50.101 52.037 -0.224 0.000 0.822 603 A CB -0.329 18.568 19.000 -0.172 0.000 1.088 603 A HN 0.585 nan 8.150 nan 0.000 0.495 604 P HA 0.138 nan 4.420 nan 0.000 0.269 604 P C 0.843 178.111 177.300 -0.053 0.000 1.215 604 P CA 0.079 63.074 63.100 -0.176 0.000 0.780 604 P CB 0.426 31.996 31.700 -0.217 0.000 0.898 605 V N 0.118 119.981 119.914 -0.086 0.000 3.608 605 V HA 0.131 4.251 4.120 -0.000 0.000 0.269 605 V C 0.546 176.522 176.094 -0.196 0.000 1.245 605 V CA 0.558 62.765 62.300 -0.155 0.000 1.138 605 V CB -0.594 31.115 31.823 -0.190 0.000 0.841 605 V HN 0.357 nan 8.190 nan 0.000 0.451 606 V N -5.643 114.155 119.914 -0.193 0.000 3.078 606 V HA 0.655 4.775 4.120 -0.000 0.000 0.311 606 V C -2.109 173.922 176.094 -0.105 0.000 1.138 606 V CA -1.840 60.301 62.300 -0.266 0.000 1.007 606 V CB 1.215 32.635 31.823 -0.672 0.000 1.045 606 V HN -0.013 nan 8.190 nan 0.000 0.432 607 P HA -0.084 nan 4.420 nan 0.000 0.218 607 P C 0.430 177.723 177.300 -0.012 0.000 1.148 607 P CA 1.792 64.827 63.100 -0.108 0.000 0.822 607 P CB -0.001 31.610 31.700 -0.149 0.000 0.784 608 D N -1.161 119.209 120.400 -0.049 0.000 2.738 608 D HA 0.182 4.822 4.640 -0.000 0.000 0.246 608 D C 0.604 176.763 176.300 -0.234 0.000 1.270 608 D CA -0.386 53.545 54.000 -0.115 0.000 0.833 608 D CB -0.351 40.407 40.800 -0.069 0.000 1.040 608 D HN -0.022 nan 8.370 nan 0.000 0.487 609 G N -0.440 108.215 108.800 -0.241 0.000 2.552 609 G HA2 0.547 4.507 3.960 -0.000 0.000 0.324 609 G HA3 0.547 4.507 3.960 -0.000 0.000 0.324 609 G C -1.194 173.423 174.900 -0.472 0.000 1.217 609 G CA -0.706 44.195 45.100 -0.332 0.000 0.989 609 G HN 0.043 nan 8.290 nan 0.000 0.490 610 F N -0.637 119.173 119.950 -0.234 0.000 2.492 610 F HA 0.622 5.149 4.527 -0.000 0.000 0.327 610 F C 0.780 176.372 175.800 -0.347 0.000 1.079 610 F CA -1.011 56.790 58.000 -0.332 0.000 0.967 610 F CB 2.471 41.176 39.000 -0.491 0.000 1.169 610 F HN 0.532 nan 8.300 nan 0.000 0.472 611 G N 3.376 112.016 108.800 -0.267 0.000 2.522 611 G HA2 0.595 4.555 3.960 -0.000 0.000 0.318 611 G HA3 0.595 4.555 3.960 -0.000 0.000 0.318 611 G C -0.918 173.466 174.900 -0.859 0.000 1.192 611 G CA -0.376 44.306 45.100 -0.697 0.000 0.988 611 G HN 0.559 nan 8.290 nan 0.000 0.480 612 I N 2.782 123.032 120.570 -0.533 0.000 2.337 612 I HA 0.368 4.538 4.170 -0.000 0.000 0.285 612 I C 0.672 176.775 176.117 -0.023 0.000 1.041 612 I CA -0.541 60.556 61.300 -0.338 0.000 1.199 612 I CB 1.618 39.330 38.000 -0.481 0.000 1.370 612 I HN 0.473 nan 8.210 nan 0.000 0.470 613 A N 7.551 130.326 122.820 -0.075 0.000 2.289 613 A HA 0.656 4.976 4.320 -0.000 0.000 0.298 613 A C -0.823 176.860 177.584 0.166 0.000 1.208 613 A CA -0.160 51.957 52.037 0.134 0.000 0.845 613 A CB 0.154 19.155 19.000 0.002 0.000 1.125 613 A HN 0.714 nan 8.150 nan 0.000 0.517 614 Y N -0.566 119.764 120.300 0.051 0.000 2.609 614 Y HA 0.831 5.381 4.550 -0.000 0.000 0.342 614 Y C -0.421 175.470 175.900 -0.014 0.000 1.058 614 Y CA -1.049 57.097 58.100 0.076 0.000 1.055 614 Y CB 1.483 40.102 38.460 0.265 0.000 1.292 614 Y HN 0.979 nan 8.280 nan 0.000 0.476 615 A N 1.432 124.231 122.820 -0.035 0.000 2.488 615 A HA 0.639 4.959 4.320 -0.000 0.000 0.295 615 A C -2.069 175.313 177.584 -0.336 0.000 1.045 615 A CA -0.776 51.068 52.037 -0.321 0.000 0.703 615 A CB 1.365 20.058 19.000 -0.512 0.000 1.271 615 A HN 0.762 nan 8.150 nan 0.000 0.400 616 V N 3.970 123.709 119.914 -0.292 0.000 2.334 616 V HA 0.312 4.432 4.120 -0.000 0.000 0.267 616 V C 0.117 175.965 176.094 -0.410 0.000 1.040 616 V CA -0.123 62.038 62.300 -0.230 0.000 0.866 616 V CB -0.014 31.787 31.823 -0.036 0.000 1.019 616 V HN 0.964 nan 8.190 nan 0.000 0.468 617 H N 1.945 120.782 119.070 -0.388 0.000 2.497 617 H HA 0.290 4.846 4.556 0.000 0.000 0.348 617 H C 0.819 176.058 175.328 -0.148 0.000 1.335 617 H CA -0.553 55.265 56.048 -0.384 0.000 1.395 617 H CB 0.781 30.021 29.762 -0.871 0.000 1.658 617 H HN 0.474 nan 8.280 nan 0.000 0.613 618 D N -0.023 120.442 120.400 0.108 0.000 2.123 618 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 618 D C 0.458 176.872 176.300 0.190 0.000 0.992 618 D CA 1.531 55.613 54.000 0.137 0.000 0.833 618 D CB 0.040 40.926 40.800 0.143 0.000 0.954 618 D HN 0.518 nan 8.370 nan 0.000 0.455 619 D N -1.577 118.975 120.400 0.253 0.000 2.469 619 D HA 0.075 4.715 4.640 -0.000 0.000 0.213 619 D C 0.383 176.910 176.300 0.379 0.000 1.135 619 D CA -0.111 54.065 54.000 0.293 0.000 0.834 619 D CB 1.052 42.016 40.800 0.273 0.000 1.009 619 D HN 0.363 nan 8.370 nan 0.000 0.507 620 W N 0.230 121.622 121.300 0.154 0.000 3.005 620 W HA 0.543 5.203 4.660 0.001 0.000 0.343 620 W C -2.172 174.508 176.519 0.268 0.000 1.243 620 W CA -0.964 56.467 57.345 0.143 0.000 1.186 620 W CB 0.243 29.734 29.460 0.052 0.000 1.453 620 W HN -0.402 nan 8.180 nan 0.000 0.575 621 I N 1.789 122.604 120.570 0.408 0.000 2.466 621 I HA 0.589 4.759 4.170 -0.000 0.000 0.289 621 I C 0.375 176.696 176.117 0.340 0.000 1.026 621 I CA -0.721 60.697 61.300 0.196 0.000 1.078 621 I CB 2.120 40.231 38.000 0.186 0.000 1.249 621 I HN 0.590 nan 8.210 nan 0.000 0.429 622 G N 4.014 112.910 108.800 0.160 0.000 2.416 622 G HA2 0.577 4.537 3.960 -0.000 0.000 0.329 622 G HA3 0.577 4.537 3.960 -0.000 0.000 0.329 622 G C -1.580 173.472 174.900 0.253 0.000 1.173 622 G CA -0.375 44.929 45.100 0.340 0.000 0.929 622 G HN 0.649 nan 8.290 nan 0.000 0.475 623 C N 2.062 121.503 119.300 0.235 0.000 2.551 623 C HA 0.693 5.153 4.460 -0.000 0.000 0.332 623 C C -0.739 174.313 174.990 0.103 0.000 1.139 623 C CA -1.027 58.099 59.018 0.181 0.000 1.328 623 C CB 1.015 28.861 27.740 0.176 0.000 1.903 623 C HN 0.738 nan 8.230 nan 0.000 0.459 624 N N 3.660 122.387 118.700 0.045 0.000 2.483 624 N HA 0.678 5.418 4.740 -0.000 0.000 0.267 624 N C -1.346 174.097 175.510 -0.112 0.000 0.998 624 N CA -0.142 52.901 53.050 -0.010 0.000 0.918 624 N CB 1.571 40.059 38.487 0.001 0.000 1.215 624 N HN 0.455 nan 8.380 nan 0.000 0.500 625 V N 2.239 122.085 119.914 -0.113 0.000 2.540 625 V HA 0.582 4.702 4.120 -0.000 0.000 0.302 625 V C -0.043 175.954 176.094 -0.161 0.000 1.035 625 V CA -0.795 61.395 62.300 -0.183 0.000 0.873 625 V CB 1.515 33.252 31.823 -0.144 0.000 0.992 625 V HN 0.781 nan 8.190 nan 0.000 0.428 626 S N 3.126 118.687 115.700 -0.231 0.000 2.638 626 S HA 0.892 5.362 4.470 -0.000 0.000 0.298 626 S C -0.370 174.166 174.600 -0.106 0.000 1.111 626 S CA -0.609 57.468 58.200 -0.206 0.000 1.027 626 S CB 1.966 64.964 63.200 -0.338 0.000 1.064 626 S HN 0.862 nan 8.310 nan 0.000 0.525 627 S N 0.204 115.821 115.700 -0.139 0.000 2.570 627 S HA 0.672 5.142 4.470 -0.000 0.000 0.270 627 S C -1.783 172.668 174.600 -0.249 0.000 1.149 627 S CA -0.663 57.463 58.200 -0.124 0.000 0.837 627 S CB 0.595 63.880 63.200 0.140 0.000 1.124 627 S HN 0.654 nan 8.310 nan 0.000 0.465 628 Y N 1.019 121.274 120.300 -0.074 0.000 2.534 628 Y HA 0.432 4.982 4.550 -0.000 0.000 0.338 628 Y C 2.219 178.091 175.900 -0.047 0.000 1.279 628 Y CA -0.352 57.708 58.100 -0.066 0.000 1.436 628 Y CB 0.133 38.532 38.460 -0.101 0.000 1.573 628 Y HN 0.679 nan 8.280 nan 0.000 0.567 629 S N -0.115 115.677 115.700 0.153 0.000 2.400 629 S HA -0.178 4.292 4.470 -0.000 0.000 0.232 629 S C 1.971 176.599 174.600 0.046 0.000 1.025 629 S CA 1.448 59.691 58.200 0.073 0.000 0.993 629 S CB -0.833 62.390 63.200 0.038 0.000 0.808 629 S HN 0.941 nan 8.310 nan 0.000 0.478 630 G N 1.172 109.985 108.800 0.022 0.000 2.679 630 G HA2 0.000 3.960 3.960 -0.000 0.000 0.212 630 G HA3 0.000 3.960 3.960 -0.000 0.000 0.212 630 G C 0.627 175.495 174.900 -0.053 0.000 1.137 630 G CA 0.146 45.233 45.100 -0.021 0.000 0.787 630 G HN 0.193 nan 8.290 nan 0.000 0.534 631 R N -1.097 119.370 120.500 -0.054 0.000 2.888 631 R HA 0.366 4.706 4.340 -0.000 0.000 0.264 631 R C -1.582 174.822 176.300 0.174 0.000 1.045 631 R CA -0.942 55.130 56.100 -0.046 0.000 0.962 631 R CB 0.944 30.891 30.300 -0.588 0.000 1.210 631 R HN 0.043 nan 8.270 nan 0.000 0.479 632 N N 0.349 119.291 118.700 0.404 0.000 2.573 632 N HA 0.240 4.980 4.740 -0.000 0.000 0.262 632 N C 0.030 175.816 175.510 0.459 0.000 1.029 632 N CA -0.081 53.180 53.050 0.352 0.000 0.882 632 N CB 1.623 40.259 38.487 0.248 0.000 1.204 632 N HN 0.626 nan 8.380 nan 0.000 0.519 633 A N 3.895 126.940 122.820 0.376 0.000 1.930 633 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 633 A C 2.125 179.782 177.584 0.122 0.000 1.175 633 A CA 1.005 53.179 52.037 0.229 0.000 0.627 633 A CB -0.271 18.814 19.000 0.141 0.000 0.815 633 A HN 0.710 nan 8.150 nan 0.000 0.443 634 R N -0.370 120.200 120.500 0.117 0.000 2.073 634 R HA -0.203 4.137 4.340 -0.000 0.000 0.234 634 R C 2.167 178.527 176.300 0.100 0.000 1.134 634 R CA 1.970 58.106 56.100 0.060 0.000 0.952 634 R CB -0.250 30.111 30.300 0.102 0.000 0.850 634 R HN 0.510 nan 8.270 nan 0.000 0.433 635 E N 0.111 120.415 120.200 0.175 0.000 2.077 635 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 635 E C 1.664 178.324 176.600 0.101 0.000 0.989 635 E CA 1.355 57.855 56.400 0.166 0.000 0.800 635 E CB -0.516 29.238 29.700 0.089 0.000 0.746 635 E HN 0.345 nan 8.360 nan 0.000 0.452 636 F N 0.625 120.539 119.950 -0.060 0.000 2.091 636 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 636 F C 1.852 177.556 175.800 -0.160 0.000 1.103 636 F CA 1.615 59.505 58.000 -0.182 0.000 1.228 636 F CB -0.335 38.322 39.000 -0.572 0.000 0.984 636 F HN 0.068 nan 8.300 nan 0.000 0.477 637 L N -0.839 120.281 121.223 -0.172 0.000 2.083 637 L HA -0.255 4.085 4.340 -0.000 0.000 0.209 637 L C 2.672 179.398 176.870 -0.240 0.000 1.083 637 L CA 1.192 55.885 54.840 -0.244 0.000 0.752 637 L CB -1.016 40.936 42.059 -0.179 0.000 0.899 637 L HN 0.195 nan 8.230 nan 0.000 0.433 638 H N -0.963 118.044 119.070 -0.105 0.000 2.387 638 H HA -0.162 4.394 4.556 -0.000 0.000 0.299 638 H C 2.442 177.691 175.328 -0.132 0.000 1.099 638 H CA 1.818 57.815 56.048 -0.086 0.000 1.315 638 H CB -0.324 29.406 29.762 -0.054 0.000 1.380 638 H HN 0.436 nan 8.280 nan 0.000 0.513 639 C N 0.051 119.299 119.300 -0.087 0.000 2.446 639 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 639 C C 3.029 177.867 174.990 -0.253 0.000 1.275 639 C CA 0.442 59.359 59.018 -0.168 0.000 1.727 639 C CB -0.816 26.802 27.740 -0.204 0.000 2.010 639 C HN 0.282 nan 8.230 nan 0.000 0.486 640 V N 0.883 120.553 119.914 -0.406 0.000 2.295 640 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 640 V C 2.566 178.514 176.094 -0.242 0.000 1.049 640 V CA 2.348 64.434 62.300 -0.358 0.000 1.024 640 V CB -0.874 30.729 31.823 -0.367 0.000 0.648 640 V HN 0.537 nan 8.190 nan 0.000 0.447 641 Q N 0.955 120.664 119.800 -0.151 0.000 2.045 641 Q HA -0.278 4.062 4.340 -0.000 0.000 0.206 641 Q C 2.128 178.107 176.000 -0.036 0.000 0.991 641 Q CA 2.478 58.254 55.803 -0.044 0.000 0.851 641 Q CB -0.434 28.330 28.738 0.043 0.000 0.911 641 Q HN 0.511 nan 8.270 nan 0.000 0.418 642 K N -0.412 119.968 120.400 -0.033 0.000 2.057 642 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 642 K C 2.043 178.616 176.600 -0.045 0.000 1.049 642 K CA 1.848 58.129 56.287 -0.010 0.000 0.931 642 K CB -0.971 31.525 32.500 -0.007 0.000 0.714 642 K HN 0.414 nan 8.250 nan 0.000 0.440 643 C N 0.396 119.625 119.300 -0.119 0.000 2.429 643 C HA -0.025 4.435 4.460 -0.000 0.000 0.277 643 C C 2.570 177.426 174.990 -0.222 0.000 1.262 643 C CA 0.674 59.588 59.018 -0.173 0.000 1.733 643 C CB -1.008 26.599 27.740 -0.222 0.000 2.010 643 C HN 0.479 nan 8.230 nan 0.000 0.483 644 L N 0.561 121.589 121.223 -0.324 0.000 2.083 644 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 644 L C 2.806 179.562 176.870 -0.190 0.000 1.083 644 L CA 1.333 55.871 54.840 -0.503 0.000 0.752 644 L CB -0.690 40.582 42.059 -1.312 0.000 0.899 644 L HN 0.386 nan 8.230 nan 0.000 0.433 645 E N 0.184 120.382 120.200 -0.004 0.000 2.058 645 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 645 E C 1.789 178.501 176.600 0.186 0.000 0.997 645 E CA 1.418 57.930 56.400 0.187 0.000 0.801 645 E CB -0.274 29.520 29.700 0.156 0.000 0.746 645 E HN 0.504 nan 8.360 nan 0.000 0.450 646 D N 0.639 121.120 120.400 0.134 0.000 2.117 646 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 646 D C 2.169 178.646 176.300 0.295 0.000 0.987 646 D CA 0.573 54.710 54.000 0.227 0.000 0.829 646 D CB -0.340 40.622 40.800 0.270 0.000 0.961 646 D HN 0.169 nan 8.370 nan 0.000 0.460 647 I N 0.021 120.643 120.570 0.086 0.000 2.163 647 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 647 I C 2.095 178.335 176.117 0.206 0.000 1.085 647 I CA 0.930 62.256 61.300 0.042 0.000 1.347 647 I CB -0.157 37.772 38.000 -0.118 0.000 1.044 647 I HN -0.100 nan 8.210 nan 0.000 0.408 648 F N 0.989 120.985 119.950 0.078 0.000 2.146 648 F HA -0.210 4.317 4.527 0.000 0.000 0.298 648 F C 2.272 178.155 175.800 0.139 0.000 1.096 648 F CA 1.417 59.481 58.000 0.106 0.000 1.275 648 F CB -0.636 38.377 39.000 0.021 0.000 1.008 648 F HN 0.084 nan 8.300 nan 0.000 0.480 649 D N 0.116 120.697 120.400 0.302 0.000 2.106 649 D HA -0.209 4.431 4.640 -0.000 0.000 0.191 649 D C 2.371 178.788 176.300 0.195 0.000 0.997 649 D CA 1.677 55.805 54.000 0.213 0.000 0.834 649 D CB -0.739 40.169 40.800 0.179 0.000 0.956 649 D HN 0.220 nan 8.370 nan 0.000 0.448 650 A N 0.527 123.483 122.820 0.226 0.000 1.908 650 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 650 A C 2.446 180.121 177.584 0.151 0.000 1.181 650 A CA 1.031 53.179 52.037 0.186 0.000 0.627 650 A CB -0.823 18.353 19.000 0.293 0.000 0.818 650 A HN 0.241 nan 8.150 nan 0.000 0.445 651 L N -0.795 120.529 121.223 0.168 0.000 2.131 651 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 651 L C 2.232 179.201 176.870 0.166 0.000 1.092 651 L CA 1.418 56.335 54.840 0.130 0.000 0.759 651 L CB -0.468 41.664 42.059 0.122 0.000 0.903 651 L HN 0.465 nan 8.230 nan 0.000 0.435 652 E N -0.375 119.969 120.200 0.240 0.000 2.511 652 E HA 0.005 4.355 4.350 -0.000 0.000 0.196 652 E C 1.358 178.032 176.600 0.123 0.000 1.066 652 E CA 0.477 57.004 56.400 0.211 0.000 0.871 652 E CB 0.160 29.996 29.700 0.227 0.000 0.863 652 E HN 0.554 nan 8.360 nan 0.000 0.520 653 G N 1.877 110.737 108.800 0.100 0.000 2.157 653 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.248 653 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.248 653 G C 0.042 174.978 174.900 0.059 0.000 0.979 653 G CA -0.013 45.126 45.100 0.065 0.000 0.650 653 G HN 0.156 nan 8.290 nan 0.000 0.529 654 K N 0.668 121.114 120.400 0.076 0.000 2.185 654 K HA 0.654 4.974 4.320 -0.000 0.000 0.271 654 K C 0.797 177.428 176.600 0.051 0.000 1.013 654 K CA 0.044 56.369 56.287 0.064 0.000 0.943 654 K CB 1.313 33.860 32.500 0.078 0.000 0.998 654 K HN 0.513 nan 8.250 nan 0.000 0.468 655 A N 3.423 126.263 122.820 0.034 0.000 2.477 655 A HA 0.186 4.506 4.320 -0.000 0.000 0.246 655 A C 0.419 178.021 177.584 0.030 0.000 1.078 655 A CA -0.455 51.593 52.037 0.018 0.000 0.770 655 A CB -0.505 18.502 19.000 0.010 0.000 1.011 655 A HN 0.788 nan 8.150 nan 0.000 0.494 656 I N -0.242 120.339 120.570 0.020 0.000 2.638 656 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 656 I C 0.092 176.235 176.117 0.043 0.000 1.088 656 I CA -0.506 60.825 61.300 0.052 0.000 1.397 656 I CB 0.549 38.590 38.000 0.068 0.000 1.414 656 I HN 0.495 nan 8.210 nan 0.000 0.566 657 K N 4.712 125.148 120.400 0.059 0.000 2.297 657 K HA 0.343 4.663 4.320 -0.000 0.000 0.286 657 K C -0.158 176.467 176.600 0.041 0.000 1.053 657 K CA -0.441 55.872 56.287 0.044 0.000 0.940 657 K CB 1.050 33.578 32.500 0.045 0.000 1.019 657 K HN 0.672 nan 8.250 nan 0.000 0.475 658 T N 0.000 114.570 114.554 0.027 0.000 3.816 658 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 658 T CA 0.000 62.114 62.100 0.023 0.000 1.349 658 T CB 0.000 68.876 68.868 0.014 0.000 0.612 658 T HN 0.000 nan 8.240 nan 0.000 0.658