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 2bcc_1_B DATA FIRST_RESID 18 DATA SEQUENCE PPHPQDLEIT KLPNGLVIAS LENYSPGSTI GVFIKAGSRY ENSSNLGTSH DATA SEQUENCE LLRLASSLTT KGASSFKITR GIEAVGGKLS VESTRENMAY TVECLRDDVE DATA SEQUENCE ILMEFLLNVT TAPEFRPWEV ADLQPQLKID KAVAFQNPQT HVIENLHAAA DATA SEQUENCE YRNALADSLY CPDYRIGKVT SVELHDFVQN HFTSARMALV GLGVSHPVLK DATA SEQUENCE NVAEQLLNIR GGLGLSGAKA KYRGGEIREQ NGDSLVHAAI VAESAAIGGA DATA SEQUENCE EANAFSVLQH VLGANPHVKR GXNXXXXXXX XXXXXXXXPF DVSAFNASYS DATA SEQUENCE DSGLFGFYTI SQAAYAGQVI KAAYNQVKTI AQGNVSNENV QAAKNKLKAK DATA SEQUENCE YLMSVESSEG FLEEVGSQAL AAGSYNPPST VLQQIDAVAD ADVIKAAKKF DATA SEQUENCE VSRQKSMAAS GNLGHTPFVD EL 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 18 P HA 0.000 nan 4.420 nan 0.000 0.216 18 P C 0.000 177.220 177.300 -0.133 0.000 1.155 18 P CA 0.000 63.024 63.100 -0.127 0.000 0.800 18 P CB 0.000 nan 31.700 nan 0.000 0.726 19 P HA 0.498 nan 4.420 nan 0.000 0.535 19 P C 0.718 177.905 177.300 -0.188 0.000 0.978 19 P CA 2.294 65.305 63.100 -0.149 0.000 2.509 19 P CB -0.303 nan 31.700 nan 0.000 1.141 20 H N -1.317 117.554 119.070 -0.331 0.000 3.641 20 H HA -0.109 4.447 4.556 0.000 0.000 0.193 20 H C -1.133 174.137 175.328 -0.097 0.000 1.013 20 H CA 1.233 57.079 56.048 -0.337 0.000 1.212 20 H CB -3.155 26.474 29.762 -0.222 0.000 1.089 20 H HN 0.772 nan 8.280 nan 0.000 0.339 21 P HA 0.467 nan 4.420 nan 0.000 0.287 21 P C -0.425 176.900 177.300 0.041 0.000 1.307 21 P CA 0.382 63.482 63.100 0.000 0.000 0.777 21 P CB 1.501 33.197 31.700 -0.007 0.000 0.883 22 Q N 3.203 123.048 119.800 0.076 0.000 3.825 22 Q HA 0.123 4.463 4.340 0.000 0.000 0.218 22 Q C -0.885 175.165 176.000 0.084 0.000 0.882 22 Q CA -0.461 55.400 55.803 0.097 0.000 0.766 22 Q CB 0.394 29.227 28.738 0.158 0.000 1.497 22 Q HN 0.409 nan 8.270 nan 0.000 0.428 23 D N 2.805 123.248 120.400 0.072 0.000 3.595 23 D HA -0.183 4.457 4.640 0.000 0.000 0.171 23 D C 0.346 176.679 176.300 0.055 0.000 1.006 23 D CA 1.084 55.126 54.000 0.070 0.000 0.660 23 D CB 0.512 41.356 40.800 0.074 0.000 1.108 23 D HN 0.598 nan 8.370 nan 0.000 0.529 24 L N -0.416 120.814 121.223 0.011 0.000 2.407 24 L HA 0.287 4.627 4.340 0.000 0.000 0.282 24 L C 0.330 177.191 176.870 -0.015 0.000 1.110 24 L CA -0.442 54.364 54.840 -0.055 0.000 0.863 24 L CB 0.068 41.995 42.059 -0.220 0.000 1.207 24 L HN 0.112 nan 8.230 nan 0.000 0.454 25 E N 4.734 124.975 120.200 0.068 0.000 2.366 25 E HA 0.555 4.905 4.350 0.000 0.000 0.266 25 E C -0.611 176.081 176.600 0.152 0.000 1.051 25 E CA -0.344 56.181 56.400 0.209 0.000 0.884 25 E CB 1.905 31.909 29.700 0.506 0.000 1.006 25 E HN 0.616 nan 8.360 nan 0.000 0.417 26 I N 1.393 122.086 120.570 0.206 0.000 2.582 26 I HA 0.262 4.432 4.170 0.000 0.000 0.292 26 I C -0.639 175.599 176.117 0.202 0.000 1.066 26 I CA -0.677 60.715 61.300 0.153 0.000 1.053 26 I CB 2.230 40.264 38.000 0.056 0.000 1.241 26 I HN 0.494 nan 8.210 nan 0.000 0.421 27 T N 1.347 116.020 114.554 0.198 0.000 3.103 27 T HA 0.240 4.590 4.350 0.000 0.000 0.352 27 T C -0.579 174.161 174.700 0.067 0.000 1.048 27 T CA -0.892 61.269 62.100 0.101 0.000 1.175 27 T CB 0.766 69.654 68.868 0.034 0.000 1.029 27 T HN 0.612 nan 8.240 nan 0.000 0.498 28 K N 3.395 123.819 120.400 0.041 0.000 2.361 28 K HA 0.461 4.781 4.320 0.000 0.000 0.283 28 K C 0.673 177.283 176.600 0.017 0.000 1.078 28 K CA -0.332 55.970 56.287 0.025 0.000 1.041 28 K CB -0.453 32.058 32.500 0.018 0.000 0.932 28 K HN 0.745 nan 8.250 nan 0.000 0.462 29 L N 4.904 126.137 121.223 0.017 0.000 2.476 29 L HA 0.180 4.520 4.340 0.000 0.000 0.264 29 L C -0.785 176.088 176.870 0.005 0.000 1.224 29 L CA -0.859 53.986 54.840 0.009 0.000 0.821 29 L CB -0.798 41.267 42.059 0.009 0.000 1.101 29 L HN 0.741 nan 8.230 nan 0.000 0.488 30 P HA -0.187 nan 4.420 nan 0.000 0.218 30 P C 0.825 178.124 177.300 -0.001 0.000 1.146 30 P CA 1.804 64.904 63.100 0.000 0.000 0.813 30 P CB 0.072 31.771 31.700 -0.002 0.000 0.778 31 N N 0.064 118.763 118.700 -0.001 0.000 2.062 31 N HA -0.084 4.656 4.740 0.000 0.000 0.191 31 N C 1.772 177.280 175.510 -0.003 0.000 1.042 31 N CA 2.230 55.279 53.050 -0.003 0.000 0.845 31 N CB -0.620 37.864 38.487 -0.005 0.000 1.024 31 N HN 0.330 nan 8.380 nan 0.000 0.424 32 G N -0.315 108.484 108.800 -0.001 0.000 2.276 32 G HA2 -0.138 3.822 3.960 0.000 0.000 0.177 32 G HA3 -0.138 3.822 3.960 0.000 0.000 0.177 32 G C -0.441 174.457 174.900 -0.002 0.000 1.017 32 G CA -0.384 44.716 45.100 -0.001 0.000 0.750 32 G HN 0.240 nan 8.290 nan 0.000 0.506 33 L N 2.972 124.194 121.223 -0.002 0.000 2.382 33 L HA 0.572 4.912 4.340 0.000 0.000 0.259 33 L C 0.882 177.753 176.870 0.003 0.000 1.291 33 L CA -0.474 54.365 54.840 -0.003 0.000 1.176 33 L CB 0.017 42.075 42.059 -0.002 0.000 1.373 33 L HN 0.073 nan 8.230 nan 0.000 0.426 34 V N 5.222 125.134 119.914 -0.003 0.000 2.843 34 V HA -0.088 4.032 4.120 0.000 0.000 0.305 34 V C 0.708 176.796 176.094 -0.009 0.000 1.120 34 V CA 0.765 63.062 62.300 -0.005 0.000 1.254 34 V CB 0.079 31.888 31.823 -0.023 0.000 0.901 34 V HN 0.482 nan 8.190 nan 0.000 0.503 35 I N 4.164 124.736 120.570 0.004 0.000 2.476 35 I HA 0.589 4.759 4.170 0.000 0.000 0.281 35 I C -0.001 176.049 176.117 -0.112 0.000 1.040 35 I CA -0.308 60.985 61.300 -0.012 0.000 1.094 35 I CB 1.475 39.532 38.000 0.094 0.000 1.219 35 I HN 0.667 nan 8.210 nan 0.000 0.450 36 A N 4.859 127.560 122.820 -0.199 0.000 2.304 36 A HA 0.800 5.120 4.320 0.000 0.000 0.314 36 A C -0.009 177.364 177.584 -0.352 0.000 1.187 36 A CA -0.382 51.480 52.037 -0.291 0.000 0.810 36 A CB 1.281 20.143 19.000 -0.230 0.000 1.183 36 A HN 0.697 nan 8.150 nan 0.000 0.487 37 S N 1.580 116.985 115.700 -0.491 0.000 2.795 37 S HA 0.880 5.350 4.470 0.000 0.000 0.308 37 S C -0.745 173.741 174.600 -0.190 0.000 1.098 37 S CA -0.442 57.562 58.200 -0.327 0.000 0.934 37 S CB 1.410 64.399 63.200 -0.352 0.000 1.300 37 S HN 2.060 nan 8.310 nan 0.000 0.566 38 L N 0.627 121.800 121.223 -0.084 0.000 4.306 38 L HA 0.428 4.768 4.340 0.000 0.000 0.236 38 L C -1.167 175.735 176.870 0.053 0.000 1.058 38 L CA -0.063 54.778 54.840 0.002 0.000 1.406 38 L CB 0.325 42.406 42.059 0.036 0.000 1.921 38 L HN 0.909 nan 8.230 nan 0.000 0.720 39 E N 2.425 122.656 120.200 0.052 0.000 2.351 39 E HA 0.306 4.656 4.350 0.000 0.000 0.266 39 E C 0.638 177.340 176.600 0.171 0.000 1.031 39 E CA 0.954 57.380 56.400 0.043 0.000 0.911 39 E CB 0.662 30.342 29.700 -0.034 0.000 0.986 39 E HN 0.653 nan 8.360 nan 0.000 0.446 40 N N 3.403 122.210 118.700 0.178 0.000 2.197 40 N HA 0.016 4.756 4.740 0.000 0.000 0.228 40 N C -0.553 175.154 175.510 0.328 0.000 1.212 40 N CA -0.334 52.855 53.050 0.232 0.000 0.883 40 N CB -0.119 38.454 38.487 0.144 0.000 1.107 40 N HN 0.469 nan 8.380 nan 0.000 0.519 41 Y N -1.138 119.178 120.300 0.026 0.000 4.879 41 Y HA -0.335 4.215 4.550 0.000 0.000 0.235 41 Y C 0.844 176.757 175.900 0.021 0.000 0.988 41 Y CA 0.559 58.672 58.100 0.020 0.000 1.960 41 Y CB -2.359 36.110 38.460 0.014 0.000 1.534 41 Y HN 0.334 nan 8.280 nan 0.000 0.550 42 S N 1.830 117.614 115.700 0.139 0.000 2.563 42 S HA 0.081 4.551 4.470 0.000 0.000 0.284 42 S C -0.080 174.557 174.600 0.061 0.000 1.331 42 S CA -0.485 57.770 58.200 0.091 0.000 1.047 42 S CB 0.911 64.159 63.200 0.081 0.000 0.859 42 S HN 0.249 nan 8.310 nan 0.000 0.514 43 P HA 0.049 nan 4.420 nan 0.000 0.215 43 P C 0.647 177.962 177.300 0.025 0.000 1.157 43 P CA 0.918 64.038 63.100 0.034 0.000 0.863 43 P CB -0.414 31.306 31.700 0.032 0.000 0.787 44 G N 0.667 109.485 108.800 0.031 0.000 2.319 44 G HA2 0.417 4.377 3.960 0.000 0.000 0.308 44 G HA3 0.417 4.377 3.960 0.000 0.000 0.308 44 G C -0.174 174.746 174.900 0.033 0.000 1.117 44 G CA -0.136 44.980 45.100 0.027 0.000 0.903 44 G HN 0.286 nan 8.290 nan 0.000 0.436 45 S N 0.577 116.292 115.700 0.024 0.000 2.651 45 S HA 0.825 5.295 4.470 0.000 0.000 0.291 45 S C -0.039 174.576 174.600 0.025 0.000 1.141 45 S CA -0.504 57.712 58.200 0.026 0.000 1.027 45 S CB 1.976 65.182 63.200 0.010 0.000 1.043 45 S HN 1.147 nan 8.310 nan 0.000 0.530 46 T N -0.200 114.369 114.554 0.025 0.000 2.949 46 T HA 0.606 4.956 4.350 0.000 0.000 0.300 46 T C -0.467 174.242 174.700 0.016 0.000 0.988 46 T CA -0.768 61.344 62.100 0.020 0.000 0.993 46 T CB 0.016 68.896 68.868 0.020 0.000 0.984 46 T HN 0.627 nan 8.240 nan 0.000 0.442 47 I N 2.296 122.878 120.570 0.020 0.000 2.797 47 I HA 0.805 4.975 4.170 0.000 0.000 0.310 47 I C 0.939 177.076 176.117 0.034 0.000 0.990 47 I CA -0.885 60.431 61.300 0.027 0.000 1.228 47 I CB 1.668 39.683 38.000 0.026 0.000 1.406 47 I HN 0.992 nan 8.210 nan 0.000 0.534 48 G N 1.921 110.758 108.800 0.062 0.000 2.752 48 G HA2 0.472 4.432 3.960 0.000 0.000 0.298 48 G HA3 0.472 4.432 3.960 0.000 0.000 0.298 48 G C -1.721 173.222 174.900 0.072 0.000 1.434 48 G CA -0.375 44.737 45.100 0.021 0.000 1.004 48 G HN 0.294 nan 8.290 nan 0.000 0.560 49 V N 2.571 122.475 119.914 -0.017 0.000 2.288 49 V HA 0.377 4.497 4.120 0.000 0.000 0.266 49 V C -0.557 175.503 176.094 -0.057 0.000 1.048 49 V CA -0.571 61.733 62.300 0.008 0.000 0.842 49 V CB -0.114 31.668 31.823 -0.068 0.000 1.064 49 V HN 0.497 nan 8.190 nan 0.000 0.472 50 F N 5.282 125.199 119.950 -0.055 0.000 2.427 50 F HA 0.562 5.089 4.527 0.000 0.000 0.352 50 F C 0.419 176.147 175.800 -0.120 0.000 1.100 50 F CA -0.386 57.580 58.000 -0.056 0.000 1.191 50 F CB 0.645 39.619 39.000 -0.043 0.000 1.128 50 F HN 0.237 nan 8.300 nan 0.000 0.533 51 I N 2.666 123.226 120.570 -0.015 0.000 2.730 51 I HA 0.273 4.443 4.170 0.000 0.000 0.298 51 I C 0.057 176.113 176.117 -0.102 0.000 1.089 51 I CA -1.019 60.176 61.300 -0.175 0.000 1.041 51 I CB 2.379 40.056 38.000 -0.540 0.000 1.235 51 I HN 0.457 nan 8.210 nan 0.000 0.423 52 K N 3.889 124.231 120.400 -0.098 0.000 3.165 52 K HA 0.387 4.707 4.320 0.000 0.000 0.270 52 K C 0.172 176.676 176.600 -0.160 0.000 1.111 52 K CA -0.162 56.105 56.287 -0.034 0.000 1.216 52 K CB 0.174 32.693 32.500 0.031 0.000 1.229 52 K HN 0.657 nan 8.250 nan 0.000 0.435 53 A N 0.402 123.105 122.820 -0.195 0.000 2.274 53 A HA 0.872 5.192 4.320 0.000 0.000 0.297 53 A C 0.470 177.999 177.584 -0.092 0.000 1.191 53 A CA 0.016 51.898 52.037 -0.257 0.000 0.889 53 A CB 0.776 19.805 19.000 0.049 0.000 1.294 53 A HN 0.409 nan 8.150 nan 0.000 0.506 54 G N -2.509 106.350 108.800 0.099 0.000 2.352 54 G HA2 0.438 4.398 3.960 0.000 0.000 0.302 54 G HA3 0.438 4.398 3.960 0.000 0.000 0.302 54 G C 0.245 175.308 174.900 0.272 0.000 1.370 54 G CA 0.510 45.729 45.100 0.198 0.000 0.918 54 G HN 1.750 nan 8.290 nan 0.000 0.610 55 S N -0.628 115.141 115.700 0.115 0.000 2.603 55 S HA 0.046 4.516 4.470 0.000 0.000 0.220 55 S C 1.744 176.407 174.600 0.105 0.000 0.967 55 S CA 0.956 59.187 58.200 0.052 0.000 0.920 55 S CB 0.110 63.278 63.200 -0.053 0.000 0.773 55 S HN 0.643 nan 8.310 nan 0.000 0.529 56 R N 0.361 120.979 120.500 0.196 0.000 2.200 56 R HA 0.068 4.408 4.340 0.000 0.000 0.208 56 R C 0.011 176.337 176.300 0.044 0.000 1.033 56 R CA 0.713 56.842 56.100 0.049 0.000 1.000 56 R CB -0.180 30.084 30.300 -0.061 0.000 0.906 56 R HN 0.572 nan 8.270 nan 0.000 0.462 57 Y N 1.004 121.382 120.300 0.130 0.000 2.583 57 Y HA 0.327 4.877 4.550 0.000 0.000 0.294 57 Y C -0.069 175.972 175.900 0.236 0.000 1.170 57 Y CA -0.504 57.717 58.100 0.202 0.000 1.265 57 Y CB 0.063 38.675 38.460 0.253 0.000 1.119 57 Y HN -0.097 nan 8.280 nan 0.000 0.522 58 E N 0.240 120.605 120.200 0.276 0.000 2.232 58 E HA 0.302 4.652 4.350 0.000 0.000 0.265 58 E C -0.297 176.387 176.600 0.139 0.000 1.001 58 E CA -0.753 55.765 56.400 0.197 0.000 0.870 58 E CB 1.113 30.872 29.700 0.098 0.000 1.175 58 E HN 0.233 nan 8.360 nan 0.000 0.407 59 N N -0.064 118.710 118.700 0.123 0.000 2.813 59 N HA 0.063 4.803 4.740 0.000 0.000 0.320 59 N C 1.114 176.678 175.510 0.091 0.000 1.315 59 N CA -0.057 53.053 53.050 0.101 0.000 0.871 59 N CB 1.019 39.568 38.487 0.103 0.000 1.241 59 N HN 0.471 nan 8.380 nan 0.000 0.602 60 S N -0.230 115.522 115.700 0.086 0.000 2.374 60 S HA -0.141 4.329 4.470 0.000 0.000 0.227 60 S C 1.182 175.853 174.600 0.117 0.000 1.037 60 S CA 1.257 59.514 58.200 0.095 0.000 1.024 60 S CB -0.465 62.781 63.200 0.077 0.000 0.861 60 S HN 0.648 nan 8.310 nan 0.000 0.456 61 S N 1.674 117.433 115.700 0.099 0.000 2.719 61 S HA 0.422 4.892 4.470 0.000 0.000 0.285 61 S C 0.688 175.328 174.600 0.067 0.000 1.137 61 S CA -0.060 58.195 58.200 0.091 0.000 1.012 61 S CB 0.543 63.791 63.200 0.081 0.000 1.134 61 S HN 0.989 nan 8.310 nan 0.000 0.544 62 N N -1.563 117.160 118.700 0.038 0.000 2.922 62 N HA -0.253 4.487 4.740 0.000 0.000 0.231 62 N C -0.406 175.078 175.510 -0.042 0.000 0.889 62 N CA 0.760 53.816 53.050 0.009 0.000 1.027 62 N CB -1.992 36.534 38.487 0.066 0.000 1.059 62 N HN 0.613 nan 8.380 nan 0.000 0.613 63 L N 0.909 122.119 121.223 -0.022 0.000 2.685 63 L HA -0.104 4.236 4.340 0.000 0.000 0.305 63 L C 1.990 178.794 176.870 -0.110 0.000 1.258 63 L CA 1.616 56.428 54.840 -0.045 0.000 0.876 63 L CB -0.299 41.747 42.059 -0.021 0.000 1.124 63 L HN 0.599 nan 8.230 nan 0.000 0.507 64 G N 1.002 109.742 108.800 -0.099 0.000 2.257 64 G HA2 -0.420 3.540 3.960 0.000 0.000 0.267 64 G HA3 -0.420 3.540 3.960 0.000 0.000 0.267 64 G C 1.015 175.811 174.900 -0.174 0.000 0.984 64 G CA 1.028 46.072 45.100 -0.092 0.000 0.626 64 G HN 0.784 nan 8.290 nan 0.000 0.540 65 T N 1.229 115.631 114.554 -0.254 0.000 2.778 65 T HA -0.181 4.169 4.350 0.000 0.000 0.269 65 T C 2.786 177.182 174.700 -0.505 0.000 1.050 65 T CA 2.985 64.869 62.100 -0.360 0.000 1.137 65 T CB -0.549 68.100 68.868 -0.366 0.000 0.860 65 T HN 1.420 nan 8.240 nan 0.000 0.468 66 S N 0.040 115.395 115.700 -0.575 0.000 2.359 66 S HA -0.264 4.206 4.470 0.000 0.000 0.222 66 S C 1.907 176.399 174.600 -0.181 0.000 1.038 66 S CA 1.898 59.793 58.200 -0.508 0.000 1.051 66 S CB -1.314 61.701 63.200 -0.309 0.000 0.944 66 S HN 0.868 nan 8.310 nan 0.000 0.433 67 H N 0.689 119.636 119.070 -0.206 0.000 2.290 67 H HA -0.089 4.467 4.556 0.000 0.000 0.298 67 H C 2.282 177.526 175.328 -0.139 0.000 1.087 67 H CA 1.505 57.487 56.048 -0.111 0.000 1.291 67 H CB -0.233 29.496 29.762 -0.054 0.000 1.369 67 H HN 0.372 nan 8.280 nan 0.000 0.492 68 L N 1.001 122.120 121.223 -0.172 0.000 2.131 68 L HA -0.144 4.196 4.340 0.000 0.000 0.210 68 L C 2.231 178.947 176.870 -0.256 0.000 1.092 68 L CA 1.037 55.710 54.840 -0.279 0.000 0.759 68 L CB -0.698 41.176 42.059 -0.308 0.000 0.903 68 L HN 0.412 nan 8.230 nan 0.000 0.435 69 L N -0.243 120.830 121.223 -0.252 0.000 2.093 69 L HA -0.181 4.159 4.340 0.000 0.000 0.208 69 L C 2.599 179.430 176.870 -0.066 0.000 1.085 69 L CA 1.680 56.380 54.840 -0.233 0.000 0.755 69 L CB -0.769 41.172 42.059 -0.197 0.000 0.904 69 L HN 0.428 nan 8.230 nan 0.000 0.435 70 R N -0.396 120.084 120.500 -0.033 0.000 2.152 70 R HA -0.134 4.206 4.340 0.000 0.000 0.232 70 R C 2.100 178.368 176.300 -0.055 0.000 1.117 70 R CA 1.285 57.370 56.100 -0.025 0.000 0.981 70 R CB -0.016 30.300 30.300 0.027 0.000 0.870 70 R HN 0.443 nan 8.270 nan 0.000 0.451 71 L N -0.697 120.492 121.223 -0.055 0.000 2.513 71 L HA 0.237 4.577 4.340 0.000 0.000 0.222 71 L C 1.966 178.789 176.870 -0.078 0.000 1.096 71 L CA 0.308 55.107 54.840 -0.068 0.000 0.857 71 L CB 0.022 42.028 42.059 -0.090 0.000 1.026 71 L HN 0.147 nan 8.230 nan 0.000 0.469 72 A N -0.280 122.477 122.820 -0.105 0.000 2.255 72 A HA -0.019 4.301 4.320 0.000 0.000 0.206 72 A C 2.209 179.814 177.584 0.036 0.000 1.193 72 A CA 0.665 52.648 52.037 -0.091 0.000 0.794 72 A CB -0.439 18.399 19.000 -0.269 0.000 0.794 72 A HN 0.329 nan 8.150 nan 0.000 0.481 73 S N 0.886 116.607 115.700 0.036 0.000 2.380 73 S HA -0.202 4.268 4.470 0.000 0.000 0.229 73 S C 1.984 176.641 174.600 0.094 0.000 1.043 73 S CA 1.989 60.242 58.200 0.088 0.000 1.038 73 S CB -0.319 62.867 63.200 -0.023 0.000 0.872 73 S HN 0.917 nan 8.310 nan 0.000 0.456 74 S N 0.424 116.150 115.700 0.043 0.000 2.577 74 S HA 0.350 4.820 4.470 0.000 0.000 0.219 74 S C 0.385 175.016 174.600 0.051 0.000 0.962 74 S CA -0.329 57.894 58.200 0.038 0.000 0.921 74 S CB -0.335 62.865 63.200 0.002 0.000 0.789 74 S HN 0.273 nan 8.310 nan 0.000 0.497 75 L N 3.216 124.477 121.223 0.064 0.000 2.452 75 L HA 0.244 4.584 4.340 0.000 0.000 0.267 75 L C 1.058 177.973 176.870 0.074 0.000 1.188 75 L CA -0.587 54.289 54.840 0.060 0.000 0.821 75 L CB 0.253 42.349 42.059 0.062 0.000 1.102 75 L HN 0.276 nan 8.230 nan 0.000 0.470 76 T N -0.899 113.683 114.554 0.047 0.000 2.898 76 T HA 0.114 4.464 4.350 0.000 0.000 0.331 76 T C 0.262 174.974 174.700 0.021 0.000 1.085 76 T CA -0.222 61.905 62.100 0.045 0.000 1.129 76 T CB 0.369 69.247 68.868 0.017 0.000 1.054 76 T HN 0.846 nan 8.240 nan 0.000 0.540 77 T N -1.092 113.477 114.554 0.026 0.000 2.724 77 T HA 0.498 4.848 4.350 0.000 0.000 0.274 77 T C 0.617 175.308 174.700 -0.015 0.000 0.984 77 T CA -1.204 60.886 62.100 -0.015 0.000 1.024 77 T CB 1.503 70.376 68.868 0.009 0.000 1.320 77 T HN 0.544 nan 8.240 nan 0.000 0.555 78 K N -0.503 119.876 120.400 -0.034 0.000 2.444 78 K HA 0.253 4.573 4.320 0.000 0.000 0.193 78 K C 1.629 178.224 176.600 -0.009 0.000 1.024 78 K CA 0.437 56.710 56.287 -0.023 0.000 1.077 78 K CB 0.069 32.546 32.500 -0.038 0.000 0.833 78 K HN 0.738 nan 8.250 nan 0.000 0.517 79 G N 0.237 109.033 108.800 -0.006 0.000 2.759 79 G HA2 0.356 4.316 3.960 0.000 0.000 0.208 79 G HA3 0.356 4.316 3.960 0.000 0.000 0.208 79 G C -0.144 174.764 174.900 0.013 0.000 1.076 79 G CA 0.136 45.228 45.100 -0.014 0.000 0.789 79 G HN 0.214 nan 8.290 nan 0.000 0.546 80 A N 0.276 123.131 122.820 0.058 0.000 2.547 80 A HA 0.678 4.998 4.320 0.000 0.000 0.297 80 A C -0.115 177.560 177.584 0.152 0.000 1.056 80 A CA -0.038 52.081 52.037 0.136 0.000 0.688 80 A CB 0.957 20.095 19.000 0.230 0.000 1.282 80 A HN 0.788 nan 8.150 nan 0.000 0.400 81 S N 0.898 116.705 115.700 0.178 0.000 2.603 81 S HA 0.412 4.882 4.470 0.000 0.000 0.268 81 S C 1.379 176.084 174.600 0.175 0.000 1.317 81 S CA 0.323 58.627 58.200 0.174 0.000 1.012 81 S CB 1.393 64.719 63.200 0.210 0.000 0.926 81 S HN 1.643 nan 8.310 nan 0.000 0.539 82 S N 0.883 116.674 115.700 0.153 0.000 2.380 82 S HA -0.205 4.265 4.470 0.000 0.000 0.229 82 S C 1.350 176.025 174.600 0.125 0.000 1.043 82 S CA 1.769 60.042 58.200 0.122 0.000 1.038 82 S CB -0.922 62.352 63.200 0.123 0.000 0.872 82 S HN 0.699 nan 8.310 nan 0.000 0.456 83 F N 2.338 122.313 119.950 0.041 0.000 1.988 83 F HA -0.046 4.481 4.527 0.000 0.000 0.296 83 F C 2.392 178.195 175.800 0.004 0.000 1.178 83 F CA 2.437 60.451 58.000 0.024 0.000 1.174 83 F CB -1.032 37.991 39.000 0.039 0.000 0.963 83 F HN 0.163 nan 8.300 nan 0.000 0.489 84 K N 0.723 121.147 120.400 0.040 0.000 2.097 84 K HA -0.307 4.013 4.320 0.000 0.000 0.214 84 K C 2.364 178.833 176.600 -0.219 0.000 1.052 84 K CA 2.458 58.714 56.287 -0.052 0.000 0.932 84 K CB -0.885 31.771 32.500 0.260 0.000 0.716 84 K HN 0.630 nan 8.250 nan 0.000 0.455 85 I N 0.568 121.083 120.570 -0.091 0.000 2.118 85 I HA -0.308 3.862 4.170 0.000 0.000 0.241 85 I C 1.734 177.552 176.117 -0.499 0.000 1.070 85 I CA 2.057 63.177 61.300 -0.299 0.000 1.327 85 I CB -0.263 37.757 38.000 0.033 0.000 1.034 85 I HN 0.287 nan 8.210 nan 0.000 0.405 86 T N 0.802 115.166 114.554 -0.317 0.000 2.770 86 T HA -0.095 4.255 4.350 0.000 0.000 0.263 86 T C 1.939 176.415 174.700 -0.373 0.000 1.039 86 T CA 1.067 62.991 62.100 -0.292 0.000 1.142 86 T CB -0.198 68.560 68.868 -0.184 0.000 0.868 86 T HN 0.366 nan 8.240 nan 0.000 0.435 87 R N 0.419 120.626 120.500 -0.487 0.000 2.235 87 R HA 0.066 4.406 4.340 0.000 0.000 0.213 87 R C 2.646 178.709 176.300 -0.396 0.000 1.059 87 R CA 0.752 56.575 56.100 -0.462 0.000 0.997 87 R CB -0.310 29.589 30.300 -0.668 0.000 0.884 87 R HN 0.407 nan 8.270 nan 0.000 0.462 88 G N 1.045 109.530 108.800 -0.525 0.000 2.396 88 G HA2 -0.153 3.807 3.960 0.000 0.000 0.214 88 G HA3 -0.153 3.807 3.960 0.000 0.000 0.214 88 G C 1.428 176.027 174.900 -0.502 0.000 1.166 88 G CA 0.097 44.886 45.100 -0.518 0.000 0.793 88 G HN 0.113 nan 8.290 nan 0.000 0.533 89 I N 0.569 120.744 120.570 -0.659 0.000 2.315 89 I HA -0.105 4.065 4.170 0.000 0.000 0.248 89 I C 2.649 178.645 176.117 -0.201 0.000 1.117 89 I CA 1.033 62.116 61.300 -0.362 0.000 1.404 89 I CB -0.153 37.657 38.000 -0.316 0.000 1.071 89 I HN 0.253 nan 8.210 nan 0.000 0.419 90 E N 0.925 120.996 120.200 -0.215 0.000 2.158 90 E HA -0.106 4.244 4.350 0.000 0.000 0.191 90 E C 2.315 178.852 176.600 -0.106 0.000 0.982 90 E CA 0.923 57.239 56.400 -0.140 0.000 0.823 90 E CB -0.071 29.543 29.700 -0.143 0.000 0.766 90 E HN 0.461 nan 8.360 nan 0.000 0.468 91 A N 0.914 123.663 122.820 -0.118 0.000 2.076 91 A HA -0.120 4.200 4.320 0.000 0.000 0.220 91 A C 2.235 179.797 177.584 -0.038 0.000 1.160 91 A CA 1.040 53.035 52.037 -0.069 0.000 0.653 91 A CB -0.118 18.846 19.000 -0.060 0.000 0.801 91 A HN 0.118 nan 8.150 nan 0.000 0.455 92 V N -1.601 118.290 119.914 -0.039 0.000 3.644 92 V HA 0.338 4.458 4.120 0.000 0.000 0.267 92 V C 1.494 177.578 176.094 -0.017 0.000 1.277 92 V CA 0.791 63.083 62.300 -0.013 0.000 1.096 92 V CB -0.385 31.443 31.823 0.008 0.000 0.828 92 V HN 1.095 nan 8.190 nan 0.000 0.446 93 G N 0.644 109.424 108.800 -0.033 0.000 2.248 93 G HA2 -0.122 3.838 3.960 0.000 0.000 0.252 93 G HA3 -0.122 3.838 3.960 0.000 0.000 0.252 93 G C 0.405 175.290 174.900 -0.025 0.000 1.085 93 G CA 0.021 45.105 45.100 -0.027 0.000 0.845 93 G HN 0.838 nan 8.290 nan 0.000 0.494 94 G N -1.002 107.775 108.800 -0.039 0.000 2.525 94 G HA2 0.685 4.645 3.960 0.000 0.000 0.287 94 G HA3 0.685 4.645 3.960 0.000 0.000 0.287 94 G C -0.346 174.532 174.900 -0.037 0.000 1.350 94 G CA -0.450 44.632 45.100 -0.031 0.000 1.039 94 G HN 0.350 nan 8.290 nan 0.000 0.513 95 K N -0.429 119.954 120.400 -0.029 0.000 2.571 95 K HA 0.340 4.660 4.320 0.000 0.000 0.252 95 K C -1.824 174.762 176.600 -0.025 0.000 0.956 95 K CA -0.377 55.891 56.287 -0.031 0.000 0.822 95 K CB 2.012 34.499 32.500 -0.021 0.000 1.286 95 K HN 0.414 nan 8.250 nan 0.000 0.439 96 L N 2.115 123.318 121.223 -0.034 0.000 2.406 96 L HA 0.595 4.935 4.340 0.000 0.000 0.272 96 L C -0.927 175.917 176.870 -0.043 0.000 0.980 96 L CA -0.165 54.663 54.840 -0.020 0.000 0.831 96 L CB 1.536 43.589 42.059 -0.010 0.000 1.253 96 L HN 0.845 nan 8.230 nan 0.000 0.406 97 S N 3.215 118.879 115.700 -0.060 0.000 2.596 97 S HA 0.779 5.249 4.470 0.000 0.000 0.270 97 S C -1.319 173.174 174.600 -0.179 0.000 1.155 97 S CA -0.773 57.366 58.200 -0.101 0.000 0.827 97 S CB 2.157 65.310 63.200 -0.077 0.000 1.130 97 S HN 0.306 nan 8.310 nan 0.000 0.467 98 V N 1.314 121.085 119.914 -0.239 0.000 2.483 98 V HA 0.583 4.703 4.120 0.000 0.000 0.297 98 V C -0.947 175.009 176.094 -0.229 0.000 1.027 98 V CA -0.507 61.569 62.300 -0.373 0.000 0.855 98 V CB 1.413 32.835 31.823 -0.668 0.000 0.995 98 V HN 0.937 nan 8.190 nan 0.000 0.424 99 E N 2.126 122.209 120.200 -0.195 0.000 2.166 99 E HA 0.712 5.062 4.350 0.000 0.000 0.275 99 E C -0.615 175.925 176.600 -0.101 0.000 0.941 99 E CA -0.026 56.303 56.400 -0.118 0.000 0.784 99 E CB 1.961 31.606 29.700 -0.092 0.000 1.115 99 E HN 0.637 nan 8.360 nan 0.000 0.399 100 S N 1.802 117.459 115.700 -0.071 0.000 2.540 100 S HA 0.659 5.129 4.470 0.000 0.000 0.275 100 S C -0.906 173.659 174.600 -0.058 0.000 1.123 100 S CA -0.591 57.579 58.200 -0.051 0.000 0.907 100 S CB 1.158 64.332 63.200 -0.043 0.000 1.081 100 S HN 0.409 nan 8.310 nan 0.000 0.476 101 T N 2.893 117.428 114.554 -0.031 0.000 2.940 101 T HA 0.415 4.765 4.350 0.000 0.000 0.288 101 T C 1.239 175.901 174.700 -0.063 0.000 1.045 101 T CA -0.906 61.170 62.100 -0.040 0.000 1.018 101 T CB 1.130 70.014 68.868 0.026 0.000 1.151 101 T HN 0.620 nan 8.240 nan 0.000 0.529 102 R N 0.856 121.283 120.500 -0.122 0.000 2.211 102 R HA -0.123 4.217 4.340 0.000 0.000 0.240 102 R C 1.331 177.592 176.300 -0.065 0.000 1.144 102 R CA 1.532 57.541 56.100 -0.151 0.000 0.992 102 R CB -0.067 30.064 30.300 -0.280 0.000 0.869 102 R HN 0.750 nan 8.270 nan 0.000 0.462 103 E N 0.278 120.452 120.200 -0.043 0.000 3.191 103 E HA 0.081 4.431 4.350 0.000 0.000 0.192 103 E C -1.067 175.601 176.600 0.114 0.000 0.972 103 E CA -0.588 55.867 56.400 0.092 0.000 1.266 103 E CB 0.221 29.926 29.700 0.008 0.000 1.076 103 E HN 0.179 nan 8.360 nan 0.000 0.462 104 N N 0.836 119.580 118.700 0.073 0.000 3.134 104 N HA 0.182 4.922 4.740 0.000 0.000 0.235 104 N C -1.336 174.200 175.510 0.043 0.000 1.092 104 N CA -0.464 52.624 53.050 0.063 0.000 1.038 104 N CB 0.903 39.449 38.487 0.099 0.000 1.684 104 N HN 0.056 nan 8.380 nan 0.000 0.551 105 M N 1.301 120.916 119.600 0.025 0.000 2.253 105 M HA 0.650 5.130 4.480 0.000 0.000 0.314 105 M C -0.679 175.622 176.300 0.002 0.000 1.019 105 M CA -0.570 54.755 55.300 0.042 0.000 0.932 105 M CB 2.306 35.002 32.600 0.160 0.000 1.606 105 M HN 0.781 nan 8.290 nan 0.000 0.430 106 A N 3.195 125.960 122.820 -0.092 0.000 2.285 106 A HA 0.637 4.957 4.320 0.000 0.000 0.310 106 A C -1.653 175.823 177.584 -0.180 0.000 1.266 106 A CA -0.426 51.419 52.037 -0.321 0.000 0.832 106 A CB 0.267 18.877 19.000 -0.650 0.000 1.163 106 A HN 0.727 nan 8.150 nan 0.000 0.499 107 Y N 2.548 122.676 120.300 -0.287 0.000 2.676 107 Y HA 0.337 4.887 4.550 0.000 0.000 0.338 107 Y C 1.441 177.238 175.900 -0.172 0.000 1.057 107 Y CA -0.147 57.859 58.100 -0.156 0.000 1.314 107 Y CB 0.681 39.103 38.460 -0.063 0.000 1.164 107 Y HN 0.725 nan 8.280 nan 0.000 0.509 108 T N -0.976 113.531 114.554 -0.077 0.000 2.881 108 T HA 0.811 5.161 4.350 0.000 0.000 0.278 108 T C -0.624 174.070 174.700 -0.010 0.000 0.982 108 T CA -0.741 61.319 62.100 -0.067 0.000 0.989 108 T CB 1.915 70.719 68.868 -0.105 0.000 1.058 108 T HN 0.275 nan 8.240 nan 0.000 0.529 109 V N 1.224 121.140 119.914 0.004 0.000 3.000 109 V HA 0.636 4.756 4.120 0.000 0.000 0.300 109 V C -1.650 174.454 176.094 0.016 0.000 1.251 109 V CA -0.723 61.588 62.300 0.019 0.000 0.972 109 V CB 2.092 33.945 31.823 0.051 0.000 1.065 109 V HN 1.275 nan 8.190 nan 0.000 0.431 110 E N 4.735 124.943 120.200 0.013 0.000 2.366 110 E HA 0.764 5.114 4.350 0.000 0.000 0.278 110 E C -0.473 176.135 176.600 0.014 0.000 0.923 110 E CA -0.283 56.126 56.400 0.015 0.000 0.761 110 E CB 2.072 31.779 29.700 0.012 0.000 1.231 110 E HN 0.943 nan 8.360 nan 0.000 0.443 111 C N 1.354 120.664 119.300 0.017 0.000 3.758 111 C HA 0.805 5.265 4.460 0.000 0.000 0.127 111 C C -0.949 174.050 174.990 0.016 0.000 3.338 111 C CA 0.134 59.162 59.018 0.015 0.000 1.101 111 C CB -0.463 27.289 27.740 0.021 0.000 2.806 111 C HN 1.101 nan 8.230 nan 0.000 0.504 112 L N -1.511 119.721 121.223 0.016 0.000 3.201 112 L HA 0.484 4.824 4.340 0.000 0.000 0.283 112 L C 0.227 177.103 176.870 0.009 0.000 0.956 112 L CA -0.451 54.397 54.840 0.013 0.000 1.036 112 L CB 0.363 42.430 42.059 0.013 0.000 1.571 112 L HN 1.325 nan 8.230 nan 0.000 0.385 113 R N -0.482 120.021 120.500 0.005 0.000 3.246 113 R HA -0.364 3.976 4.340 0.000 0.000 0.664 113 R C 0.759 177.059 176.300 0.000 0.000 0.241 113 R CA 2.175 58.275 56.100 -0.000 0.000 2.037 113 R CB -1.620 28.683 30.300 0.004 0.000 0.746 113 R HN 0.990 nan 8.270 nan 0.000 0.661 114 D N 0.017 120.419 120.400 0.003 0.000 2.178 114 D HA -0.114 4.526 4.640 0.000 0.000 0.201 114 D C 1.246 177.554 176.300 0.013 0.000 0.980 114 D CA 1.782 55.785 54.000 0.005 0.000 0.842 114 D CB -0.352 40.452 40.800 0.007 0.000 0.948 114 D HN 0.442 nan 8.370 nan 0.000 0.472 115 D N -0.287 120.125 120.400 0.019 0.000 2.357 115 D HA -0.129 4.511 4.640 0.000 0.000 0.216 115 D C 2.059 178.382 176.300 0.038 0.000 0.973 115 D CA 0.333 54.351 54.000 0.031 0.000 0.912 115 D CB 0.117 40.934 40.800 0.029 0.000 0.900 115 D HN 0.244 nan 8.370 nan 0.000 0.501 116 V N 0.909 120.838 119.914 0.026 0.000 2.307 116 V HA -0.227 3.893 4.120 0.000 0.000 0.245 116 V C 2.519 178.629 176.094 0.028 0.000 1.045 116 V CA 1.628 63.944 62.300 0.027 0.000 1.024 116 V CB -0.478 31.353 31.823 0.013 0.000 0.651 116 V HN 0.204 nan 8.190 nan 0.000 0.449 117 E N 0.318 120.528 120.200 0.017 0.000 2.070 117 E HA -0.246 4.104 4.350 0.000 0.000 0.197 117 E C 2.181 178.786 176.600 0.008 0.000 1.004 117 E CA 2.071 58.475 56.400 0.007 0.000 0.805 117 E CB -0.169 29.532 29.700 0.002 0.000 0.744 117 E HN 0.628 nan 8.360 nan 0.000 0.451 118 I N 0.689 121.277 120.570 0.030 0.000 2.142 118 I HA -0.254 3.916 4.170 0.000 0.000 0.240 118 I C 2.620 178.807 176.117 0.116 0.000 1.078 118 I CA 0.557 61.889 61.300 0.054 0.000 1.343 118 I CB -0.387 37.669 38.000 0.094 0.000 1.046 118 I HN 0.239 nan 8.210 nan 0.000 0.405 119 L N 0.372 121.688 121.223 0.154 0.000 2.263 119 L HA -0.216 4.124 4.340 0.000 0.000 0.216 119 L C 2.292 179.273 176.870 0.185 0.000 1.111 119 L CA 1.745 56.718 54.840 0.220 0.000 0.773 119 L CB -0.497 41.633 42.059 0.119 0.000 0.906 119 L HN 0.175 nan 8.230 nan 0.000 0.439 120 M N -0.644 119.000 119.600 0.074 0.000 2.064 120 M HA -0.195 4.285 4.480 0.000 0.000 0.260 120 M C 2.157 178.439 176.300 -0.031 0.000 1.073 120 M CA 1.842 57.158 55.300 0.027 0.000 1.124 120 M CB -1.103 31.495 32.600 -0.002 0.000 1.326 120 M HN 0.460 nan 8.290 nan 0.000 0.410 121 E N 0.206 120.311 120.200 -0.159 0.000 2.132 121 E HA -0.282 4.068 4.350 0.000 0.000 0.218 121 E C 1.855 178.289 176.600 -0.277 0.000 1.058 121 E CA 2.346 58.562 56.400 -0.307 0.000 0.882 121 E CB -0.254 29.098 29.700 -0.579 0.000 0.774 121 E HN 0.366 nan 8.360 nan 0.000 0.467 122 F N 0.387 120.342 119.950 0.008 0.000 2.069 122 F HA -0.191 4.336 4.527 0.000 0.000 0.298 122 F C 2.391 178.206 175.800 0.025 0.000 1.113 122 F CA 1.203 59.211 58.000 0.013 0.000 1.214 122 F CB -1.032 37.972 39.000 0.008 0.000 0.978 122 F HN 0.188 nan 8.300 nan 0.000 0.474 123 L N 0.122 121.456 121.223 0.186 0.000 1.989 123 L HA -0.183 4.157 4.340 0.000 0.000 0.211 123 L C 2.291 179.201 176.870 0.067 0.000 1.071 123 L CA 1.464 56.381 54.840 0.129 0.000 0.749 123 L CB -1.272 40.846 42.059 0.097 0.000 0.890 123 L HN 0.180 nan 8.230 nan 0.000 0.431 124 L N 0.462 121.698 121.223 0.022 0.000 1.963 124 L HA -0.322 4.018 4.340 0.000 0.000 0.220 124 L C 2.364 179.228 176.870 -0.010 0.000 1.076 124 L CA 2.320 57.154 54.840 -0.011 0.000 0.772 124 L CB -1.366 40.670 42.059 -0.037 0.000 0.892 124 L HN 0.461 nan 8.230 nan 0.000 0.435 125 N N -0.408 118.287 118.700 -0.009 0.000 2.061 125 N HA -0.199 4.541 4.740 0.000 0.000 0.193 125 N C 1.850 177.370 175.510 0.016 0.000 1.030 125 N CA 2.064 55.112 53.050 -0.005 0.000 0.856 125 N CB -0.514 37.977 38.487 0.007 0.000 1.023 125 N HN 0.365 nan 8.380 nan 0.000 0.424 126 V N 1.099 121.057 119.914 0.073 0.000 2.392 126 V HA -0.204 3.916 4.120 0.000 0.000 0.249 126 V C 2.357 178.487 176.094 0.061 0.000 1.059 126 V CA 2.245 64.617 62.300 0.119 0.000 1.051 126 V CB -1.032 30.922 31.823 0.219 0.000 0.658 126 V HN 0.563 nan 8.190 nan 0.000 0.455 127 T N -3.574 110.962 114.554 -0.030 0.000 3.060 127 T HA 0.023 4.373 4.350 0.000 0.000 0.249 127 T C 1.324 176.020 174.700 -0.006 0.000 1.079 127 T CA 0.949 62.988 62.100 -0.101 0.000 1.013 127 T CB 0.209 68.941 68.868 -0.226 0.000 0.975 127 T HN 0.620 nan 8.240 nan 0.000 0.518 128 T N -2.279 112.251 114.554 -0.040 0.000 3.010 128 T HA 0.559 4.909 4.350 0.000 0.000 0.253 128 T C 1.214 175.856 174.700 -0.097 0.000 0.939 128 T CA 0.271 62.343 62.100 -0.047 0.000 0.910 128 T CB -0.024 68.825 68.868 -0.032 0.000 1.226 128 T HN 0.347 nan 8.240 nan 0.000 0.508 129 A N 2.458 125.214 122.820 -0.107 0.000 2.911 129 A HA 0.679 4.999 4.320 0.000 0.000 0.304 129 A C -2.951 174.510 177.584 -0.204 0.000 1.144 129 A CA -1.306 50.652 52.037 -0.131 0.000 0.988 129 A CB -0.088 18.865 19.000 -0.078 0.000 1.141 129 A HN 0.338 nan 8.150 nan 0.000 0.552 130 P HA 0.221 nan 4.420 nan 0.000 0.282 130 P C 0.005 176.865 177.300 -0.733 0.000 1.262 130 P CA 0.058 62.811 63.100 -0.578 0.000 0.773 130 P CB 0.791 31.884 31.700 -1.012 0.000 0.879 131 E N 3.118 123.064 120.200 -0.423 0.000 2.651 131 E HA 0.186 4.536 4.350 0.000 0.000 0.213 131 E C -0.584 175.938 176.600 -0.129 0.000 1.028 131 E CA -0.686 55.564 56.400 -0.250 0.000 1.183 131 E CB -0.411 29.231 29.700 -0.097 0.000 1.188 131 E HN 0.110 nan 8.360 nan 0.000 0.444 132 F N 2.531 122.367 119.950 -0.190 0.000 1.888 132 F HA -0.234 4.293 4.527 0.000 0.000 0.311 132 F C 0.682 176.403 175.800 -0.133 0.000 1.044 132 F CA 0.388 58.284 58.000 -0.172 0.000 0.706 132 F CB -1.061 37.807 39.000 -0.220 0.000 0.565 132 F HN 0.185 nan 8.300 nan 0.000 0.513 133 R N 5.800 126.210 120.500 -0.149 0.000 2.442 133 R HA 0.063 4.403 4.340 0.000 0.000 0.291 133 R C -1.050 174.966 176.300 -0.473 0.000 1.069 133 R CA -1.266 54.531 56.100 -0.504 0.000 1.022 133 R CB 0.290 29.894 30.300 -1.160 0.000 0.976 133 R HN 0.221 nan 8.270 nan 0.000 0.443 134 P HA -0.226 nan 4.420 nan 0.000 0.218 134 P C 0.563 177.863 177.300 -0.000 0.000 1.150 134 P CA 1.739 64.790 63.100 -0.082 0.000 0.841 134 P CB -0.023 31.719 31.700 0.069 0.000 0.784 135 W N 0.720 122.040 121.300 0.034 0.000 2.501 135 W HA 0.124 4.784 4.660 0.000 0.000 0.309 135 W C 1.998 178.526 176.519 0.015 0.000 1.165 135 W CA 0.263 57.619 57.345 0.018 0.000 1.381 135 W CB -1.841 27.630 29.460 0.017 0.000 1.142 135 W HN 0.041 nan 8.180 nan 0.000 0.509 136 E N 1.060 121.244 120.200 -0.027 0.000 2.169 136 E HA -0.240 4.110 4.350 0.000 0.000 0.202 136 E C 2.245 178.820 176.600 -0.043 0.000 1.016 136 E CA 2.683 59.065 56.400 -0.030 0.000 0.817 136 E CB -0.392 29.206 29.700 -0.169 0.000 0.736 136 E HN 0.274 nan 8.360 nan 0.000 0.462 137 V N -1.540 118.326 119.914 -0.081 0.000 2.300 137 V HA 0.090 4.210 4.120 0.000 0.000 0.241 137 V C 2.302 178.363 176.094 -0.054 0.000 1.034 137 V CA 1.266 63.511 62.300 -0.092 0.000 1.021 137 V CB -0.777 30.971 31.823 -0.124 0.000 0.662 137 V HN 0.178 nan 8.190 nan 0.000 0.458 138 A N 0.345 123.157 122.820 -0.014 0.000 2.093 138 A HA -0.310 4.010 4.320 0.000 0.000 0.222 138 A C 1.842 179.432 177.584 0.010 0.000 1.162 138 A CA 2.479 54.519 52.037 0.004 0.000 0.655 138 A CB -1.044 17.985 19.000 0.048 0.000 0.805 138 A HN 0.770 nan 8.150 nan 0.000 0.461 139 D N -2.163 118.254 120.400 0.029 0.000 2.349 139 D HA 0.121 4.761 4.640 0.000 0.000 0.214 139 D C 1.269 177.566 176.300 -0.003 0.000 1.063 139 D CA 0.318 54.338 54.000 0.034 0.000 0.847 139 D CB 0.168 41.023 40.800 0.093 0.000 0.933 139 D HN 0.300 nan 8.370 nan 0.000 0.513 140 L N -0.526 120.674 121.223 -0.038 0.000 2.577 140 L HA 0.272 4.612 4.340 0.000 0.000 0.225 140 L C 1.710 178.519 176.870 -0.101 0.000 1.053 140 L CA 0.747 55.547 54.840 -0.067 0.000 0.866 140 L CB -0.293 41.716 42.059 -0.084 0.000 1.132 140 L HN -0.134 nan 8.230 nan 0.000 0.486 141 Q N 1.277 121.010 119.800 -0.112 0.000 2.173 141 Q HA -0.163 4.177 4.340 0.000 0.000 0.208 141 Q C -0.736 175.182 176.000 -0.136 0.000 0.989 141 Q CA 2.210 57.927 55.803 -0.143 0.000 0.872 141 Q CB -1.271 27.390 28.738 -0.129 0.000 0.909 141 Q HN 0.509 nan 8.270 nan 0.000 0.420 142 P HA -0.184 nan 4.420 nan 0.000 0.228 142 P C 0.970 178.207 177.300 -0.104 0.000 1.151 142 P CA 1.187 64.232 63.100 -0.091 0.000 0.770 142 P CB 0.167 31.830 31.700 -0.062 0.000 0.786 143 Q N 0.443 120.175 119.800 -0.113 0.000 2.167 143 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 143 Q C 2.303 178.214 176.000 -0.148 0.000 0.970 143 Q CA 1.141 56.876 55.803 -0.113 0.000 0.855 143 Q CB -1.133 27.543 28.738 -0.105 0.000 0.911 143 Q HN 0.189 nan 8.270 nan 0.000 0.438 144 L N 0.203 121.295 121.223 -0.219 0.000 1.997 144 L HA -0.308 4.032 4.340 0.000 0.000 0.216 144 L C 2.405 179.167 176.870 -0.179 0.000 1.074 144 L CA 1.909 56.569 54.840 -0.299 0.000 0.763 144 L CB -0.696 41.127 42.059 -0.393 0.000 0.890 144 L HN 0.239 nan 8.230 nan 0.000 0.434 145 K N 0.212 120.516 120.400 -0.160 0.000 2.049 145 K HA -0.276 4.045 4.320 0.000 0.000 0.219 145 K C 2.007 178.525 176.600 -0.137 0.000 1.056 145 K CA 2.625 58.828 56.287 -0.140 0.000 0.946 145 K CB -0.532 31.901 32.500 -0.112 0.000 0.723 145 K HN 0.493 nan 8.250 nan 0.000 0.453 146 I N -1.722 118.780 120.570 -0.113 0.000 2.277 146 I HA -0.147 4.023 4.170 0.000 0.000 0.243 146 I C 2.076 178.127 176.117 -0.110 0.000 1.094 146 I CA 1.720 62.959 61.300 -0.100 0.000 1.393 146 I CB -0.554 37.400 38.000 -0.076 0.000 1.078 146 I HN 0.010 nan 8.210 nan 0.000 0.417 147 D N 1.487 121.828 120.400 -0.098 0.000 2.191 147 D HA -0.316 4.324 4.640 0.000 0.000 0.195 147 D C 2.201 178.384 176.300 -0.195 0.000 1.003 147 D CA 2.021 55.966 54.000 -0.091 0.000 0.867 147 D CB -0.103 40.700 40.800 0.004 0.000 0.926 147 D HN 0.450 nan 8.370 nan 0.000 0.450 148 K N -0.630 119.642 120.400 -0.214 0.000 2.076 148 K HA 0.001 4.321 4.320 0.000 0.000 0.204 148 K C 2.099 178.526 176.600 -0.288 0.000 1.051 148 K CA 0.928 56.992 56.287 -0.372 0.000 0.949 148 K CB -0.185 32.121 32.500 -0.323 0.000 0.726 148 K HN 0.134 nan 8.250 nan 0.000 0.443 149 A N 1.065 123.759 122.820 -0.209 0.000 1.948 149 A HA -0.161 4.159 4.320 0.000 0.000 0.220 149 A C 2.217 179.771 177.584 -0.052 0.000 1.177 149 A CA 2.062 54.020 52.037 -0.132 0.000 0.636 149 A CB -0.897 18.041 19.000 -0.105 0.000 0.815 149 A HN 0.321 nan 8.150 nan 0.000 0.449 150 V N -2.607 117.268 119.914 -0.066 0.000 2.379 150 V HA 0.050 4.170 4.120 0.000 0.000 0.245 150 V C 2.535 178.623 176.094 -0.009 0.000 1.044 150 V CA 1.577 63.856 62.300 -0.034 0.000 1.036 150 V CB -1.535 30.261 31.823 -0.046 0.000 0.664 150 V HN 0.536 nan 8.190 nan 0.000 0.453 151 A N 0.528 123.317 122.820 -0.052 0.000 1.859 151 A HA -0.184 4.136 4.320 0.000 0.000 0.217 151 A C 1.896 179.550 177.584 0.116 0.000 1.198 151 A CA 2.291 54.320 52.037 -0.014 0.000 0.629 151 A CB -1.274 17.546 19.000 -0.300 0.000 0.830 151 A HN 0.579 nan 8.150 nan 0.000 0.446 152 F N 1.001 120.877 119.950 -0.123 0.000 2.664 152 F HA -0.096 4.431 4.527 0.000 0.000 0.297 152 F C 2.318 178.081 175.800 -0.062 0.000 1.164 152 F CA 0.867 58.826 58.000 -0.068 0.000 1.472 152 F CB -0.578 38.383 39.000 -0.065 0.000 1.108 152 F HN 0.411 nan 8.300 nan 0.000 0.596 153 Q N -0.341 119.508 119.800 0.080 0.000 2.369 153 Q HA -0.051 4.289 4.340 0.000 0.000 0.206 153 Q C 0.084 176.075 176.000 -0.013 0.000 0.963 153 Q CA 0.565 56.385 55.803 0.028 0.000 0.894 153 Q CB -0.122 28.626 28.738 0.015 0.000 0.965 153 Q HN 0.366 nan 8.270 nan 0.000 0.475 154 N N 1.493 120.169 118.700 -0.039 0.000 2.457 154 N HA 0.125 4.865 4.740 0.000 0.000 0.250 154 N C -2.240 173.172 175.510 -0.163 0.000 0.982 154 N CA -1.348 51.661 53.050 -0.067 0.000 0.941 154 N CB 1.467 39.931 38.487 -0.038 0.000 1.120 154 N HN -0.105 nan 8.380 nan 0.000 0.505 155 P HA -0.220 nan 4.420 nan 0.000 0.219 155 P C 1.528 178.560 177.300 -0.447 0.000 1.146 155 P CA 1.390 64.225 63.100 -0.442 0.000 0.808 155 P CB 0.317 31.559 31.700 -0.763 0.000 0.779 156 Q N -1.176 118.469 119.800 -0.259 0.000 2.077 156 Q HA -0.242 4.098 4.340 0.000 0.000 0.206 156 Q C 2.116 177.986 176.000 -0.217 0.000 0.989 156 Q CA 2.259 58.001 55.803 -0.101 0.000 0.853 156 Q CB -1.918 26.836 28.738 0.026 0.000 0.907 156 Q HN 0.114 nan 8.270 nan 0.000 0.418 157 T N -0.169 114.236 114.554 -0.248 0.000 2.746 157 T HA -0.279 4.071 4.350 0.000 0.000 0.267 157 T C 1.962 176.363 174.700 -0.497 0.000 1.039 157 T CA 2.182 64.086 62.100 -0.328 0.000 1.142 157 T CB -0.639 68.045 68.868 -0.306 0.000 0.866 157 T HN 0.738 nan 8.240 nan 0.000 0.444 158 H N 0.119 118.830 119.070 -0.598 0.000 2.290 158 H HA -0.008 4.548 4.556 0.000 0.000 0.298 158 H C 2.693 177.858 175.328 -0.271 0.000 1.087 158 H CA 2.198 57.924 56.048 -0.537 0.000 1.291 158 H CB -1.192 28.367 29.762 -0.337 0.000 1.369 158 H HN 0.381 nan 8.280 nan 0.000 0.492 159 V N 0.936 120.715 119.914 -0.226 0.000 2.231 159 V HA -0.272 3.848 4.120 0.000 0.000 0.248 159 V C 2.775 178.772 176.094 -0.161 0.000 1.054 159 V CA 2.259 64.466 62.300 -0.154 0.000 1.015 159 V CB -0.758 30.992 31.823 -0.122 0.000 0.638 159 V HN 0.747 nan 8.190 nan 0.000 0.444 160 I N -0.452 119.986 120.570 -0.220 0.000 2.194 160 I HA -0.244 3.926 4.170 0.000 0.000 0.246 160 I C 2.740 178.812 176.117 -0.076 0.000 1.093 160 I CA 1.433 62.630 61.300 -0.172 0.000 1.355 160 I CB -0.462 37.402 38.000 -0.226 0.000 1.046 160 I HN 0.391 nan 8.210 nan 0.000 0.413 161 E N 0.882 120.991 120.200 -0.152 0.000 2.070 161 E HA -0.221 4.129 4.350 0.000 0.000 0.197 161 E C 1.887 178.492 176.600 0.008 0.000 1.004 161 E CA 1.301 57.639 56.400 -0.103 0.000 0.805 161 E CB -0.415 29.251 29.700 -0.057 0.000 0.744 161 E HN 0.553 nan 8.360 nan 0.000 0.451 162 N N 0.712 119.417 118.700 0.009 0.000 2.171 162 N HA -0.131 4.609 4.740 0.000 0.000 0.184 162 N C 2.063 177.616 175.510 0.071 0.000 1.021 162 N CA 0.387 53.463 53.050 0.044 0.000 0.854 162 N CB -0.387 38.110 38.487 0.017 0.000 0.994 162 N HN 0.063 nan 8.380 nan 0.000 0.426 163 L N 1.870 123.125 121.223 0.053 0.000 1.965 163 L HA -0.259 4.081 4.340 0.000 0.000 0.226 163 L C 1.917 178.888 176.870 0.169 0.000 1.083 163 L CA 2.017 56.891 54.840 0.058 0.000 0.790 163 L CB -1.197 40.857 42.059 -0.008 0.000 0.898 163 L HN 0.212 nan 8.230 nan 0.000 0.439 164 H N -0.596 118.540 119.070 0.110 0.000 2.466 164 H HA -0.122 4.434 4.556 0.000 0.000 0.297 164 H C 2.085 177.546 175.328 0.222 0.000 1.113 164 H CA 1.458 57.645 56.048 0.233 0.000 1.273 164 H CB -0.607 29.235 29.762 0.134 0.000 1.371 164 H HN 0.563 nan 8.280 nan 0.000 0.528 165 A N 0.171 123.134 122.820 0.239 0.000 1.968 165 A HA 0.061 4.381 4.320 0.000 0.000 0.217 165 A C 2.436 180.087 177.584 0.111 0.000 1.169 165 A CA 1.387 53.518 52.037 0.156 0.000 0.638 165 A CB -0.601 18.462 19.000 0.106 0.000 0.812 165 A HN 0.460 nan 8.150 nan 0.000 0.446 166 A N -0.812 122.053 122.820 0.076 0.000 2.030 166 A HA 0.487 4.807 4.320 0.000 0.000 0.215 166 A C 2.271 179.796 177.584 -0.097 0.000 1.164 166 A CA 1.202 53.236 52.037 -0.005 0.000 0.697 166 A CB -0.535 18.457 19.000 -0.013 0.000 0.827 166 A HN 0.846 nan 8.150 nan 0.000 0.457 167 A N -1.466 121.331 122.820 -0.038 0.000 2.016 167 A HA 0.348 4.668 4.320 0.000 0.000 0.217 167 A C 0.629 177.886 177.584 -0.545 0.000 1.162 167 A CA 0.674 52.555 52.037 -0.260 0.000 0.662 167 A CB -0.224 18.780 19.000 0.006 0.000 0.812 167 A HN 0.460 nan 8.150 nan 0.000 0.450 168 Y N -2.679 117.591 120.300 -0.051 0.000 2.633 168 Y HA 0.656 5.206 4.550 0.000 0.000 0.339 168 Y C 0.584 176.473 175.900 -0.019 0.000 1.045 168 Y CA -0.400 57.694 58.100 -0.010 0.000 1.098 168 Y CB 1.355 39.864 38.460 0.081 0.000 1.296 168 Y HN -0.000 nan 8.280 nan 0.000 0.494 169 R N 1.602 122.203 120.500 0.169 0.000 2.687 169 R HA 0.628 4.968 4.340 0.000 0.000 0.264 169 R C -0.952 175.413 176.300 0.109 0.000 1.715 169 R CA -0.157 55.999 56.100 0.094 0.000 1.633 169 R CB -0.464 29.855 30.300 0.031 0.000 1.353 169 R HN 1.072 nan 8.270 nan 0.000 0.653 170 N N -1.276 117.494 118.700 0.117 0.000 3.897 170 N HA 0.138 4.878 4.740 0.000 0.000 0.239 170 N C 0.008 175.559 175.510 0.067 0.000 1.185 170 N CA -0.685 52.416 53.050 0.085 0.000 0.639 170 N CB -0.157 38.378 38.487 0.081 0.000 1.672 170 N HN 1.249 nan 8.380 nan 0.000 0.327 171 A N -0.096 122.739 122.820 0.025 0.000 2.641 171 A HA 0.219 4.539 4.320 0.000 0.000 0.228 171 A C 1.309 178.840 177.584 -0.088 0.000 1.049 171 A CA 1.408 53.425 52.037 -0.032 0.000 0.779 171 A CB -0.465 18.485 19.000 -0.083 0.000 0.947 171 A HN 1.942 nan 8.150 nan 0.000 0.498 172 L N -0.160 120.977 121.223 -0.143 0.000 3.704 172 L HA -0.270 4.070 4.340 0.000 0.000 0.396 172 L C 1.647 178.394 176.870 -0.205 0.000 0.713 172 L CA 2.897 57.572 54.840 -0.276 0.000 2.823 172 L CB -1.452 40.324 42.059 -0.472 0.000 0.891 172 L HN 1.544 nan 8.230 nan 0.000 0.687 173 A N -0.990 121.789 122.820 -0.068 0.000 2.275 173 A HA 0.259 4.579 4.320 0.000 0.000 0.212 173 A C 0.541 178.164 177.584 0.066 0.000 1.201 173 A CA 0.487 52.577 52.037 0.088 0.000 0.843 173 A CB -0.378 18.742 19.000 0.199 0.000 0.873 173 A HN 0.504 nan 8.150 nan 0.000 0.492 174 D N 0.817 121.226 120.400 0.014 0.000 2.339 174 D HA 0.294 4.934 4.640 0.000 0.000 0.245 174 D C 0.163 176.454 176.300 -0.016 0.000 1.115 174 D CA 0.272 54.282 54.000 0.017 0.000 0.917 174 D CB 0.980 41.788 40.800 0.013 0.000 1.192 174 D HN 0.133 nan 8.370 nan 0.000 0.428 175 S N 0.820 116.519 115.700 -0.001 0.000 2.572 175 S HA 0.020 4.490 4.470 0.000 0.000 0.279 175 S C 1.121 175.662 174.600 -0.098 0.000 1.341 175 S CA -0.610 57.575 58.200 -0.025 0.000 1.043 175 S CB 1.009 64.236 63.200 0.045 0.000 0.887 175 S HN 0.376 nan 8.310 nan 0.000 0.516 176 L N 1.653 122.750 121.223 -0.211 0.000 2.375 176 L HA 0.313 4.653 4.340 0.000 0.000 0.215 176 L C -0.774 175.843 176.870 -0.422 0.000 1.108 176 L CA 1.234 55.856 54.840 -0.363 0.000 0.830 176 L CB -0.091 41.632 42.059 -0.559 0.000 0.959 176 L HN 0.581 nan 8.230 nan 0.000 0.457 177 Y N -0.580 119.640 120.300 -0.133 0.000 2.334 177 Y HA 0.283 4.833 4.550 0.000 0.000 0.336 177 Y C 0.390 176.319 175.900 0.049 0.000 0.960 177 Y CA -1.920 56.062 58.100 -0.196 0.000 1.164 177 Y CB 0.493 38.939 38.460 -0.024 0.000 1.155 177 Y HN -0.087 nan 8.280 nan 0.000 0.478 178 C N 8.493 128.067 119.300 0.458 0.000 2.211 178 C HA 0.017 4.477 4.460 0.000 0.000 0.393 178 C C -1.629 173.388 174.990 0.045 0.000 1.531 178 C CA -1.069 58.057 59.018 0.181 0.000 1.465 178 C CB -0.638 27.146 27.740 0.073 0.000 2.534 178 C HN 0.581 nan 8.230 nan 0.000 0.592 179 P HA 0.087 nan 4.420 nan 0.000 0.269 179 P C 0.465 177.686 177.300 -0.132 0.000 1.215 179 P CA 0.304 63.378 63.100 -0.043 0.000 0.780 179 P CB 0.605 32.301 31.700 -0.008 0.000 0.898 180 D N 1.588 121.952 120.400 -0.059 0.000 2.088 180 D HA -0.209 4.431 4.640 0.000 0.000 0.191 180 D C 1.911 178.166 176.300 -0.075 0.000 0.992 180 D CA 1.821 55.780 54.000 -0.069 0.000 0.831 180 D CB -1.099 39.684 40.800 -0.027 0.000 0.973 180 D HN 0.602 nan 8.370 nan 0.000 0.447 181 Y N 1.146 121.427 120.300 -0.032 0.000 2.405 181 Y HA -0.164 4.386 4.550 0.000 0.000 0.282 181 Y C 1.664 177.547 175.900 -0.027 0.000 1.182 181 Y CA 1.210 59.294 58.100 -0.026 0.000 1.312 181 Y CB -0.468 37.983 38.460 -0.015 0.000 0.971 181 Y HN -0.148 nan 8.280 nan 0.000 0.560 182 R N -0.006 120.050 120.500 -0.740 0.000 2.432 182 R HA 0.170 4.510 4.340 0.000 0.000 0.260 182 R C 1.491 177.606 176.300 -0.309 0.000 0.935 182 R CA -0.024 55.711 56.100 -0.609 0.000 1.080 182 R CB 0.161 29.981 30.300 -0.800 0.000 1.155 182 R HN 0.333 nan 8.270 nan 0.000 0.531 183 I N 0.214 120.647 120.570 -0.229 0.000 2.151 183 I HA -0.184 3.986 4.170 0.000 0.000 0.243 183 I C 1.930 177.955 176.117 -0.153 0.000 1.080 183 I CA 1.835 63.026 61.300 -0.182 0.000 1.339 183 I CB -0.933 36.980 38.000 -0.146 0.000 1.039 183 I HN 0.214 nan 8.210 nan 0.000 0.409 184 G N -0.137 108.595 108.800 -0.114 0.000 3.233 184 G HA2 0.018 3.978 3.960 0.000 0.000 0.234 184 G HA3 0.018 3.978 3.960 0.000 0.000 0.234 184 G C 1.357 176.212 174.900 -0.074 0.000 1.137 184 G CA -0.205 44.843 45.100 -0.087 0.000 0.763 184 G HN 0.342 nan 8.290 nan 0.000 0.549 185 K N 0.125 120.469 120.400 -0.092 0.000 2.358 185 K HA 0.198 4.518 4.320 0.000 0.000 0.197 185 K C 0.243 176.799 176.600 -0.073 0.000 1.025 185 K CA -0.190 56.057 56.287 -0.066 0.000 1.104 185 K CB 1.301 33.772 32.500 -0.049 0.000 0.855 185 K HN 0.096 nan 8.250 nan 0.000 0.531 186 V N 3.572 123.422 119.914 -0.107 0.000 2.493 186 V HA -0.050 4.070 4.120 0.000 0.000 0.292 186 V C 0.868 176.916 176.094 -0.075 0.000 1.016 186 V CA 0.071 62.306 62.300 -0.108 0.000 1.097 186 V CB 0.315 32.043 31.823 -0.160 0.000 0.947 186 V HN 0.358 nan 8.190 nan 0.000 0.479 187 T N 1.561 116.090 114.554 -0.041 0.000 2.874 187 T HA 0.192 4.542 4.350 0.000 0.000 0.281 187 T C 1.351 176.053 174.700 0.003 0.000 0.994 187 T CA 0.166 62.260 62.100 -0.011 0.000 1.015 187 T CB 1.486 70.363 68.868 0.015 0.000 1.028 187 T HN 0.553 nan 8.240 nan 0.000 0.523 188 S N 0.454 116.173 115.700 0.033 0.000 2.399 188 S HA -0.104 4.366 4.470 0.000 0.000 0.231 188 S C 1.860 176.596 174.600 0.227 0.000 1.022 188 S CA 1.295 59.556 58.200 0.101 0.000 0.983 188 S CB -0.857 62.404 63.200 0.102 0.000 0.803 188 S HN 0.574 nan 8.310 nan 0.000 0.480 189 V N 1.964 121.956 119.914 0.129 0.000 2.216 189 V HA -0.185 3.935 4.120 0.000 0.000 0.243 189 V C 2.331 178.534 176.094 0.182 0.000 1.044 189 V CA 2.211 64.586 62.300 0.125 0.000 0.995 189 V CB -1.082 30.772 31.823 0.051 0.000 0.633 189 V HN 0.529 nan 8.190 nan 0.000 0.446 190 E N -0.037 120.230 120.200 0.112 0.000 2.271 190 E HA -0.286 4.064 4.350 0.000 0.000 0.209 190 E C 2.102 178.792 176.600 0.150 0.000 1.046 190 E CA 1.723 58.190 56.400 0.110 0.000 0.840 190 E CB -0.338 29.387 29.700 0.043 0.000 0.738 190 E HN 0.533 nan 8.360 nan 0.000 0.470 191 L N -0.287 121.016 121.223 0.132 0.000 1.988 191 L HA -0.190 4.150 4.340 0.000 0.000 0.207 191 L C 2.388 179.475 176.870 0.361 0.000 1.071 191 L CA 1.559 56.461 54.840 0.104 0.000 0.744 191 L CB -0.671 41.223 42.059 -0.275 0.000 0.893 191 L HN 0.172 nan 8.230 nan 0.000 0.433 192 H N -0.009 119.273 119.070 0.354 0.000 2.289 192 H HA -0.216 4.340 4.556 0.000 0.000 0.296 192 H C 1.956 177.355 175.328 0.117 0.000 1.091 192 H CA 1.998 58.150 56.048 0.174 0.000 1.274 192 H CB -0.470 29.328 29.762 0.061 0.000 1.364 192 H HN 0.303 nan 8.280 nan 0.000 0.490 193 D N -0.503 120.061 120.400 0.273 0.000 2.158 193 D HA -0.176 4.464 4.640 0.000 0.000 0.197 193 D C 1.801 178.224 176.300 0.206 0.000 0.995 193 D CA 1.039 55.152 54.000 0.188 0.000 0.846 193 D CB -0.358 40.540 40.800 0.164 0.000 0.941 193 D HN 0.279 nan 8.370 nan 0.000 0.456 194 F N 0.390 120.403 119.950 0.105 0.000 2.163 194 F HA -0.125 4.402 4.527 0.000 0.000 0.297 194 F C 2.047 177.904 175.800 0.095 0.000 1.094 194 F CA 0.801 58.855 58.000 0.091 0.000 1.290 194 F CB -0.182 38.794 39.000 -0.039 0.000 1.017 194 F HN -0.183 nan 8.300 nan 0.000 0.483 195 V N 0.653 120.580 119.914 0.021 0.000 2.237 195 V HA -0.343 3.777 4.120 0.000 0.000 0.245 195 V C 2.305 178.366 176.094 -0.056 0.000 1.046 195 V CA 2.334 64.448 62.300 -0.309 0.000 1.007 195 V CB -1.019 30.573 31.823 -0.385 0.000 0.638 195 V HN 0.350 nan 8.190 nan 0.000 0.445 196 Q N 0.374 120.169 119.800 -0.007 0.000 2.133 196 Q HA -0.244 4.096 4.340 0.000 0.000 0.208 196 Q C 1.792 177.787 176.000 -0.010 0.000 0.991 196 Q CA 1.778 57.588 55.803 0.011 0.000 0.867 196 Q CB -0.378 28.377 28.738 0.028 0.000 0.911 196 Q HN 0.635 nan 8.270 nan 0.000 0.417 197 N N -0.764 117.919 118.700 -0.029 0.000 2.461 197 N HA -0.038 4.702 4.740 0.000 0.000 0.188 197 N C 0.265 175.421 175.510 -0.589 0.000 1.134 197 N CA 0.765 53.682 53.050 -0.221 0.000 0.878 197 N CB 0.364 38.727 38.487 -0.207 0.000 0.972 197 N HN 0.441 nan 8.380 nan 0.000 0.456 198 H N -2.047 116.940 119.070 -0.137 0.000 3.051 198 H HA 0.233 4.789 4.556 0.000 0.000 0.218 198 H C -0.368 174.980 175.328 0.034 0.000 0.898 198 H CA -0.337 55.627 56.048 -0.139 0.000 0.989 198 H CB -0.089 29.445 29.762 -0.380 0.000 1.343 198 H HN -0.053 nan 8.280 nan 0.000 0.499 199 F N 3.755 123.667 119.950 -0.064 0.000 2.662 199 F HA 0.263 4.790 4.527 0.000 0.000 0.365 199 F C 0.629 176.387 175.800 -0.071 0.000 1.222 199 F CA -0.276 57.683 58.000 -0.068 0.000 1.315 199 F CB -0.799 38.162 39.000 -0.066 0.000 1.711 199 F HN -0.011 nan 8.300 nan 0.000 0.651 200 T N -3.481 111.093 114.554 0.033 0.000 2.841 200 T HA 0.317 4.667 4.350 0.000 0.000 0.283 200 T C 1.210 175.896 174.700 -0.024 0.000 1.000 200 T CA -0.203 61.897 62.100 -0.000 0.000 0.977 200 T CB 1.711 70.567 68.868 -0.020 0.000 0.979 200 T HN 0.263 nan 8.240 nan 0.000 0.446 201 S N 2.790 118.479 115.700 -0.017 0.000 2.408 201 S HA -0.317 4.153 4.470 0.000 0.000 0.241 201 S C 2.296 176.885 174.600 -0.020 0.000 1.080 201 S CA 1.505 59.694 58.200 -0.019 0.000 1.109 201 S CB -1.365 61.828 63.200 -0.012 0.000 0.966 201 S HN 1.317 nan 8.310 nan 0.000 0.449 202 A N 2.364 125.173 122.820 -0.018 0.000 2.172 202 A HA 0.034 4.354 4.320 0.000 0.000 0.216 202 A C 1.992 179.568 177.584 -0.014 0.000 1.154 202 A CA 0.965 52.995 52.037 -0.013 0.000 0.701 202 A CB -0.442 18.552 19.000 -0.010 0.000 0.789 202 A HN 0.846 nan 8.150 nan 0.000 0.465 203 R N -1.675 118.809 120.500 -0.027 0.000 2.690 203 R HA 0.588 4.928 4.340 0.000 0.000 0.419 203 R C -0.513 175.753 176.300 -0.055 0.000 1.090 203 R CA -0.163 55.920 56.100 -0.030 0.000 1.064 203 R CB -0.054 30.228 30.300 -0.030 0.000 1.391 203 R HN 0.348 nan 8.270 nan 0.000 0.586 204 M N 0.666 120.238 119.600 -0.047 0.000 2.727 204 M HA 0.728 5.208 4.480 0.000 0.000 0.300 204 M C -1.242 175.052 176.300 -0.010 0.000 1.246 204 M CA -1.046 54.223 55.300 -0.051 0.000 0.835 204 M CB 2.725 35.278 32.600 -0.078 0.000 1.755 204 M HN 0.201 nan 8.290 nan 0.000 0.473 205 A N 1.929 124.765 122.820 0.026 0.000 2.456 205 A HA 0.595 4.915 4.320 0.000 0.000 0.288 205 A C -1.670 175.962 177.584 0.080 0.000 1.042 205 A CA -0.551 51.503 52.037 0.028 0.000 0.738 205 A CB 1.112 20.100 19.000 -0.021 0.000 1.266 205 A HN 0.731 nan 8.150 nan 0.000 0.407 206 L N 4.217 125.459 121.223 0.032 0.000 2.466 206 L HA 0.440 4.780 4.340 0.000 0.000 0.248 206 L C -0.392 176.488 176.870 0.016 0.000 1.240 206 L CA 0.124 54.989 54.840 0.041 0.000 1.180 206 L CB -0.044 42.024 42.059 0.015 0.000 1.413 206 L HN 0.463 nan 8.230 nan 0.000 0.406 207 V N 1.992 121.950 119.914 0.073 0.000 2.953 207 V HA 0.885 5.005 4.120 0.000 0.000 0.304 207 V C 0.870 176.979 176.094 0.025 0.000 1.073 207 V CA 0.025 62.318 62.300 -0.012 0.000 1.064 207 V CB 1.098 32.864 31.823 -0.095 0.000 1.047 207 V HN 0.762 nan 8.190 nan 0.000 0.478 208 G N 1.659 110.423 108.800 -0.060 0.000 2.489 208 G HA2 0.571 4.531 3.960 0.000 0.000 0.291 208 G HA3 0.571 4.531 3.960 0.000 0.000 0.291 208 G C -1.668 173.191 174.900 -0.068 0.000 1.487 208 G CA -0.753 44.322 45.100 -0.042 0.000 0.795 208 G HN 0.570 nan 8.290 nan 0.000 0.513 209 L N -0.098 121.109 121.223 -0.026 0.000 2.293 209 L HA 0.684 5.024 4.340 0.000 0.000 0.264 209 L C 1.755 178.639 176.870 0.023 0.000 1.029 209 L CA -0.395 54.457 54.840 0.020 0.000 0.897 209 L CB 1.305 43.411 42.059 0.077 0.000 1.497 209 L HN 1.244 nan 8.230 nan 0.000 0.495 210 G N 0.802 109.630 108.800 0.047 0.000 2.453 210 G HA2 -0.193 3.767 3.960 0.000 0.000 0.313 210 G HA3 -0.193 3.767 3.960 0.000 0.000 0.313 210 G C -0.113 174.767 174.900 -0.033 0.000 0.948 210 G CA 0.885 45.990 45.100 0.009 0.000 0.846 210 G HN 0.536 nan 8.290 nan 0.000 0.512 211 V N -4.053 115.842 119.914 -0.031 0.000 2.962 211 V HA 0.887 5.007 4.120 0.000 0.000 0.313 211 V C 0.253 176.327 176.094 -0.033 0.000 1.099 211 V CA -0.558 61.719 62.300 -0.038 0.000 0.971 211 V CB 1.823 33.632 31.823 -0.023 0.000 1.028 211 V HN 0.558 nan 8.190 nan 0.000 0.430 212 S N -0.043 115.643 115.700 -0.024 0.000 2.545 212 S HA 0.301 4.771 4.470 0.000 0.000 0.275 212 S C 0.868 175.513 174.600 0.075 0.000 1.299 212 S CA 0.234 58.440 58.200 0.011 0.000 1.048 212 S CB 0.146 63.343 63.200 -0.005 0.000 0.938 212 S HN 1.070 nan 8.310 nan 0.000 0.496 213 H N 5.376 124.436 119.070 -0.017 0.000 2.353 213 H HA -0.003 4.553 4.556 0.000 0.000 0.300 213 H C -0.762 174.559 175.328 -0.013 0.000 1.090 213 H CA 1.358 57.398 56.048 -0.014 0.000 1.327 213 H CB -0.268 29.488 29.762 -0.010 0.000 1.383 213 H HN 0.560 nan 8.280 nan 0.000 0.508 214 P HA -0.156 nan 4.420 nan 0.000 0.215 214 P C 1.676 179.001 177.300 0.041 0.000 1.153 214 P CA 1.295 64.402 63.100 0.011 0.000 0.853 214 P CB -0.001 31.693 31.700 -0.009 0.000 0.788 215 V N 0.704 120.645 119.914 0.045 0.000 2.237 215 V HA -0.220 3.901 4.120 0.000 0.000 0.245 215 V C 2.750 178.869 176.094 0.042 0.000 1.046 215 V CA 1.804 64.121 62.300 0.029 0.000 1.007 215 V CB -1.558 30.273 31.823 0.013 0.000 0.638 215 V HN 0.026 nan 8.190 nan 0.000 0.445 216 L N 0.329 121.590 121.223 0.063 0.000 2.261 216 L HA -0.166 4.174 4.340 0.000 0.000 0.216 216 L C 2.309 179.226 176.870 0.078 0.000 1.114 216 L CA 2.085 56.956 54.840 0.053 0.000 0.777 216 L CB -0.773 41.296 42.059 0.018 0.000 0.910 216 L HN 0.349 nan 8.230 nan 0.000 0.440 217 K N -0.277 120.200 120.400 0.128 0.000 2.044 217 K HA -0.105 4.215 4.320 0.000 0.000 0.204 217 K C 1.811 178.436 176.600 0.040 0.000 1.049 217 K CA 1.118 57.465 56.287 0.099 0.000 0.945 217 K CB -0.408 32.139 32.500 0.078 0.000 0.724 217 K HN 0.451 nan 8.250 nan 0.000 0.440 218 N N 0.662 119.378 118.700 0.026 0.000 2.717 218 N HA -0.061 4.679 4.740 0.000 0.000 0.197 218 N C 1.316 176.828 175.510 0.004 0.000 1.215 218 N CA 1.350 54.405 53.050 0.008 0.000 0.949 218 N CB -0.428 38.061 38.487 0.003 0.000 0.999 218 N HN 0.121 nan 8.380 nan 0.000 0.448 219 V N -1.540 118.380 119.914 0.010 0.000 3.219 219 V HA 0.320 4.440 4.120 0.000 0.000 0.240 219 V C 2.601 178.695 176.094 -0.000 0.000 1.222 219 V CA 0.723 63.023 62.300 0.001 0.000 1.181 219 V CB 0.081 31.905 31.823 0.002 0.000 0.941 219 V HN 0.582 nan 8.190 nan 0.000 0.471 220 A N 1.339 124.164 122.820 0.009 0.000 2.259 220 A HA -0.176 4.144 4.320 0.000 0.000 0.212 220 A C 1.913 179.497 177.584 0.000 0.000 1.178 220 A CA 1.638 53.678 52.037 0.006 0.000 0.734 220 A CB -0.400 18.611 19.000 0.017 0.000 0.774 220 A HN 0.824 nan 8.150 nan 0.000 0.481 221 E N -0.539 119.660 120.200 -0.002 0.000 2.112 221 E HA -0.169 4.181 4.350 0.000 0.000 0.190 221 E C 1.827 178.420 176.600 -0.011 0.000 0.979 221 E CA 1.188 57.584 56.400 -0.006 0.000 0.814 221 E CB -0.367 29.329 29.700 -0.007 0.000 0.762 221 E HN 0.698 nan 8.360 nan 0.000 0.460 222 Q N 0.066 119.857 119.800 -0.014 0.000 2.123 222 Q HA 0.035 4.375 4.340 0.000 0.000 0.196 222 Q C 2.034 178.022 176.000 -0.020 0.000 0.958 222 Q CA 0.752 56.543 55.803 -0.020 0.000 0.841 222 Q CB -0.094 28.628 28.738 -0.027 0.000 0.915 222 Q HN 0.238 nan 8.270 nan 0.000 0.455 223 L N 1.203 122.416 121.223 -0.017 0.000 2.447 223 L HA -0.067 4.273 4.340 0.000 0.000 0.225 223 L C 0.446 177.307 176.870 -0.015 0.000 1.148 223 L CA 0.869 55.698 54.840 -0.017 0.000 0.808 223 L CB -0.335 41.716 42.059 -0.014 0.000 0.928 223 L HN 0.122 nan 8.230 nan 0.000 0.448 224 L N 0.605 121.820 121.223 -0.013 0.000 2.363 224 L HA 0.200 4.540 4.340 0.000 0.000 0.286 224 L C 0.422 177.283 176.870 -0.014 0.000 1.106 224 L CA 0.603 55.436 54.840 -0.012 0.000 0.859 224 L CB -0.735 41.318 42.059 -0.010 0.000 1.223 224 L HN 0.382 nan 8.230 nan 0.000 0.446 225 N N 4.651 123.343 118.700 -0.013 0.000 2.228 225 N HA 0.295 5.035 4.740 0.000 0.000 0.237 225 N C -1.109 174.393 175.510 -0.012 0.000 1.382 225 N CA -0.042 52.999 53.050 -0.015 0.000 0.787 225 N CB 0.566 39.040 38.487 -0.021 0.000 1.320 225 N HN 0.499 nan 8.380 nan 0.000 0.507 226 I N -0.246 120.319 120.570 -0.009 0.000 2.882 226 I HA 0.283 4.453 4.170 0.000 0.000 0.298 226 I C -0.057 176.056 176.117 -0.007 0.000 1.462 226 I CA -0.599 60.698 61.300 -0.006 0.000 1.000 226 I CB 2.290 40.293 38.000 0.004 0.000 1.340 226 I HN -0.053 nan 8.210 nan 0.000 0.462 227 R N 2.042 122.536 120.500 -0.009 0.000 3.059 227 R HA 0.184 4.524 4.340 0.000 0.000 0.161 227 R C 1.087 177.378 176.300 -0.015 0.000 0.758 227 R CA 0.237 56.330 56.100 -0.011 0.000 1.064 227 R CB -0.017 30.277 30.300 -0.010 0.000 1.538 227 R HN 0.798 nan 8.270 nan 0.000 0.574 228 G N 2.347 111.136 108.800 -0.018 0.000 2.246 228 G HA2 -0.156 3.804 3.960 0.000 0.000 0.296 228 G HA3 -0.156 3.804 3.960 0.000 0.000 0.296 228 G C 1.047 175.929 174.900 -0.030 0.000 0.505 228 G CA 0.870 45.955 45.100 -0.025 0.000 1.301 228 G HN 0.463 nan 8.290 nan 0.000 0.412 229 G N 0.707 109.495 108.800 -0.021 0.000 3.809 229 G HA2 0.062 4.022 3.960 0.000 0.000 0.276 229 G HA3 0.062 4.022 3.960 0.000 0.000 0.276 229 G C 0.983 175.866 174.900 -0.030 0.000 0.867 229 G CA 1.927 47.015 45.100 -0.019 0.000 0.724 229 G HN 1.849 nan 8.290 nan 0.000 1.380 230 L N 0.115 121.321 121.223 -0.028 0.000 2.264 230 L HA 0.801 5.141 4.340 0.000 0.000 0.287 230 L C 1.872 178.694 176.870 -0.079 0.000 1.039 230 L CA 0.655 55.472 54.840 -0.039 0.000 0.829 230 L CB 0.426 42.487 42.059 0.003 0.000 1.211 230 L HN 1.158 nan 8.230 nan 0.000 0.427 231 G N 1.144 109.849 108.800 -0.159 0.000 2.422 231 G HA2 0.053 4.013 3.960 0.000 0.000 0.218 231 G HA3 0.053 4.013 3.960 0.000 0.000 0.218 231 G C 1.052 175.828 174.900 -0.207 0.000 1.140 231 G CA 1.677 46.659 45.100 -0.196 0.000 0.775 231 G HN 0.779 nan 8.290 nan 0.000 0.545 232 L N 0.157 121.226 121.223 -0.258 0.000 3.284 232 L HA 0.260 4.601 4.340 0.000 0.000 0.294 232 L C 0.958 177.865 176.870 0.061 0.000 1.183 232 L CA 0.881 55.663 54.840 -0.097 0.000 1.056 232 L CB 0.254 42.239 42.059 -0.124 0.000 1.513 232 L HN 0.305 nan 8.230 nan 0.000 0.601 233 S N 0.128 115.892 115.700 0.106 0.000 4.401 233 S HA -0.080 4.390 4.470 0.000 0.000 0.266 233 S C 0.814 175.422 174.600 0.014 0.000 0.728 233 S CA 0.292 58.567 58.200 0.125 0.000 1.273 233 S CB -2.149 61.082 63.200 0.051 0.000 2.142 233 S HN 0.771 nan 8.310 nan 0.000 0.362 234 G N 2.988 111.642 108.800 -0.243 0.000 2.562 234 G HA2 0.481 4.441 3.960 0.000 0.000 0.233 234 G HA3 0.481 4.441 3.960 0.000 0.000 0.233 234 G C 0.558 175.354 174.900 -0.173 0.000 1.266 234 G CA -0.282 44.581 45.100 -0.395 0.000 0.852 234 G HN 1.929 nan 8.290 nan 0.000 0.581 235 A N 1.837 124.596 122.820 -0.101 0.000 2.407 235 A HA 0.430 4.750 4.320 0.000 0.000 0.248 235 A C 0.866 178.429 177.584 -0.035 0.000 1.082 235 A CA -0.333 51.681 52.037 -0.038 0.000 0.785 235 A CB 0.313 19.311 19.000 -0.004 0.000 1.020 235 A HN 0.736 nan 8.150 nan 0.000 0.489 236 K N 0.469 120.869 120.400 -0.000 0.000 2.542 236 K HA 0.195 4.515 4.320 0.000 0.000 0.276 236 K C 0.297 176.932 176.600 0.058 0.000 0.963 236 K CA 0.727 57.030 56.287 0.027 0.000 0.975 236 K CB 0.229 32.755 32.500 0.043 0.000 0.901 236 K HN 0.731 nan 8.250 nan 0.000 0.506 237 A N 3.301 126.185 122.820 0.106 0.000 2.279 237 A HA 0.138 4.458 4.320 0.000 0.000 0.306 237 A C -0.450 177.291 177.584 0.261 0.000 1.300 237 A CA -0.514 51.649 52.037 0.210 0.000 0.925 237 A CB 0.061 19.232 19.000 0.286 0.000 1.152 237 A HN 0.562 nan 8.150 nan 0.000 0.544 238 K N 2.015 122.549 120.400 0.223 0.000 2.276 238 K HA 0.247 4.567 4.320 0.000 0.000 0.283 238 K C -0.818 175.881 176.600 0.166 0.000 1.044 238 K CA -0.122 56.264 56.287 0.166 0.000 0.944 238 K CB 1.017 33.579 32.500 0.103 0.000 1.012 238 K HN 0.706 nan 8.250 nan 0.000 0.472 239 Y N 2.628 122.903 120.300 -0.042 0.000 2.326 239 Y HA 0.329 4.879 4.550 0.000 0.000 0.324 239 Y C -0.068 175.755 175.900 -0.127 0.000 1.291 239 Y CA -0.372 57.607 58.100 -0.202 0.000 1.348 239 Y CB 1.089 39.426 38.460 -0.204 0.000 1.294 239 Y HN 0.614 nan 8.280 nan 0.000 0.525 240 R N 1.385 121.206 120.500 -1.131 0.000 2.634 240 R HA 0.414 4.754 4.340 0.000 0.000 0.263 240 R C -1.175 174.562 176.300 -0.938 0.000 1.060 240 R CA -0.419 55.254 56.100 -0.711 0.000 0.898 240 R CB 0.991 31.081 30.300 -0.350 0.000 1.253 240 R HN 0.929 nan 8.270 nan 0.000 0.461 241 G N 1.572 110.105 108.800 -0.445 0.000 3.717 241 G HA2 0.306 4.266 3.960 0.000 0.000 0.258 241 G HA3 0.306 4.266 3.960 0.000 0.000 0.258 241 G C 0.365 175.162 174.900 -0.172 0.000 1.088 241 G CA -0.027 44.915 45.100 -0.263 0.000 1.737 241 G HN 0.718 nan 8.290 nan 0.000 0.648 242 G N 0.018 108.693 108.800 -0.209 0.000 2.732 242 G HA2 0.401 4.361 3.960 0.000 0.000 0.244 242 G HA3 0.401 4.361 3.960 0.000 0.000 0.244 242 G C -0.209 174.660 174.900 -0.052 0.000 1.226 242 G CA -0.248 44.789 45.100 -0.105 0.000 0.860 242 G HN 0.444 nan 8.290 nan 0.000 0.583 243 E N -0.483 119.708 120.200 -0.015 0.000 2.454 243 E HA 0.284 4.634 4.350 0.000 0.000 0.315 243 E C -0.789 175.828 176.600 0.028 0.000 0.907 243 E CA -0.578 55.829 56.400 0.011 0.000 0.797 243 E CB 0.735 30.461 29.700 0.043 0.000 1.396 243 E HN 0.629 nan 8.360 nan 0.000 0.389 244 I N 0.783 121.362 120.570 0.015 0.000 2.465 244 I HA 0.652 4.822 4.170 0.000 0.000 0.291 244 I C -0.736 175.383 176.117 0.002 0.000 1.014 244 I CA -1.109 60.203 61.300 0.020 0.000 1.093 244 I CB 1.793 39.807 38.000 0.023 0.000 1.267 244 I HN 0.267 nan 8.210 nan 0.000 0.431 245 R N 3.921 124.424 120.500 0.006 0.000 2.445 245 R HA 0.433 4.773 4.340 0.000 0.000 0.308 245 R C -0.811 175.485 176.300 -0.006 0.000 0.961 245 R CA -0.628 55.457 56.100 -0.025 0.000 0.862 245 R CB 2.320 32.583 30.300 -0.062 0.000 1.144 245 R HN 0.653 nan 8.270 nan 0.000 0.447 246 E N 2.559 122.753 120.200 -0.010 0.000 2.173 246 E HA 0.040 4.390 4.350 0.000 0.000 0.249 246 E C -0.718 175.883 176.600 0.002 0.000 0.923 246 E CA -0.505 55.898 56.400 0.004 0.000 0.754 246 E CB 0.839 30.544 29.700 0.008 0.000 1.177 246 E HN 0.257 nan 8.360 nan 0.000 0.430 247 Q N 2.530 122.333 119.800 0.005 0.000 2.286 247 Q HA 0.045 4.385 4.340 0.000 0.000 0.267 247 Q C 0.133 176.142 176.000 0.014 0.000 1.028 247 Q CA 0.687 56.494 55.803 0.007 0.000 0.901 247 Q CB 0.476 29.220 28.738 0.009 0.000 1.183 247 Q HN 0.828 nan 8.270 nan 0.000 0.392 248 N N 0.857 119.568 118.700 0.017 0.000 1.900 248 N HA 0.043 4.783 4.740 0.000 0.000 0.227 248 N C 0.309 175.833 175.510 0.023 0.000 1.411 248 N CA 0.011 53.072 53.050 0.019 0.000 0.780 248 N CB 0.386 38.883 38.487 0.017 0.000 1.082 248 N HN 0.560 nan 8.380 nan 0.000 0.505 249 G N 1.567 110.385 108.800 0.030 0.000 2.392 249 G HA2 -0.200 3.761 3.960 0.000 0.000 0.256 249 G HA3 -0.200 3.761 3.960 0.000 0.000 0.256 249 G C -0.577 174.344 174.900 0.034 0.000 0.920 249 G CA 0.436 45.559 45.100 0.038 0.000 1.316 249 G HN 0.516 nan 8.290 nan 0.000 0.416 250 D N 0.668 121.090 120.400 0.038 0.000 2.501 250 D HA 0.304 4.944 4.640 0.000 0.000 0.226 250 D C 1.407 177.733 176.300 0.043 0.000 1.198 250 D CA 0.795 54.816 54.000 0.035 0.000 0.830 250 D CB 0.515 41.331 40.800 0.027 0.000 1.014 250 D HN 0.732 nan 8.370 nan 0.000 0.496 251 S N -0.141 115.586 115.700 0.045 0.000 2.450 251 S HA -0.229 4.241 4.470 0.000 0.000 0.248 251 S C 0.203 174.831 174.600 0.047 0.000 1.240 251 S CA 1.542 59.767 58.200 0.041 0.000 1.532 251 S CB -1.535 61.684 63.200 0.032 0.000 1.941 251 S HN 0.572 nan 8.310 nan 0.000 0.623 252 L N -1.452 119.811 121.223 0.066 0.000 2.526 252 L HA 0.893 5.233 4.340 0.000 0.000 0.263 252 L C -0.313 176.634 176.870 0.129 0.000 0.943 252 L CA -1.410 53.481 54.840 0.084 0.000 0.859 252 L CB 1.962 44.070 42.059 0.082 0.000 1.313 252 L HN -0.075 nan 8.230 nan 0.000 0.406 253 V N 1.468 121.450 119.914 0.114 0.000 2.881 253 V HA 0.350 4.470 4.120 0.000 0.000 0.303 253 V C -0.498 175.699 176.094 0.173 0.000 1.070 253 V CA 0.118 62.495 62.300 0.127 0.000 1.074 253 V CB 1.140 33.010 31.823 0.077 0.000 1.012 253 V HN 0.728 nan 8.190 nan 0.000 0.482 254 H N 1.312 120.390 119.070 0.013 0.000 2.589 254 H HA 0.794 5.350 4.556 0.000 0.000 0.351 254 H C -0.180 175.142 175.328 -0.009 0.000 1.074 254 H CA 0.251 56.308 56.048 0.015 0.000 1.203 254 H CB 1.743 31.499 29.762 -0.011 0.000 1.558 254 H HN 0.930 nan 8.280 nan 0.000 0.522 255 A N 2.019 124.870 122.820 0.051 0.000 2.515 255 A HA 0.866 5.186 4.320 0.000 0.000 0.298 255 A C -1.428 176.115 177.584 -0.068 0.000 1.059 255 A CA -0.200 51.829 52.037 -0.014 0.000 0.698 255 A CB 1.338 20.332 19.000 -0.011 0.000 1.289 255 A HN 0.794 nan 8.150 nan 0.000 0.404 256 A N 1.622 124.341 122.820 -0.168 0.000 2.408 256 A HA 0.744 5.064 4.320 0.000 0.000 0.295 256 A C -1.157 176.230 177.584 -0.328 0.000 1.040 256 A CA -0.218 51.653 52.037 -0.277 0.000 0.707 256 A CB 0.741 19.543 19.000 -0.331 0.000 1.235 256 A HN 0.777 nan 8.150 nan 0.000 0.418 257 I N 2.804 123.064 120.570 -0.517 0.000 2.436 257 I HA 0.603 4.773 4.170 0.000 0.000 0.289 257 I C -0.663 175.463 176.117 0.016 0.000 1.010 257 I CA -0.812 60.303 61.300 -0.308 0.000 1.098 257 I CB 2.035 39.769 38.000 -0.443 0.000 1.266 257 I HN 0.415 nan 8.210 nan 0.000 0.434 258 V N 3.921 123.946 119.914 0.185 0.000 3.167 258 V HA 0.884 5.004 4.120 0.000 0.000 0.310 258 V C -0.657 175.635 176.094 0.330 0.000 1.207 258 V CA -0.827 61.688 62.300 0.359 0.000 1.059 258 V CB 2.134 34.115 31.823 0.264 0.000 1.079 258 V HN 0.792 nan 8.190 nan 0.000 0.446 259 A N 0.990 124.009 122.820 0.331 0.000 2.442 259 A HA 0.706 5.026 4.320 0.000 0.000 0.284 259 A C -0.555 176.986 177.584 -0.071 0.000 1.058 259 A CA -0.521 51.587 52.037 0.119 0.000 0.738 259 A CB 1.256 20.293 19.000 0.061 0.000 1.242 259 A HN 1.106 nan 8.150 nan 0.000 0.421 260 E N 2.237 122.081 120.200 -0.594 0.000 2.812 260 E HA 0.280 4.630 4.350 0.000 0.000 0.276 260 E C 0.083 176.480 176.600 -0.338 0.000 0.946 260 E CA 1.623 57.585 56.400 -0.729 0.000 0.971 260 E CB 0.057 28.815 29.700 -1.570 0.000 0.960 260 E HN 1.990 nan 8.360 nan 0.000 0.479 261 S N 1.657 117.203 115.700 -0.257 0.000 2.816 261 S HA 0.504 4.974 4.470 0.000 0.000 0.282 261 S C -0.856 173.513 174.600 -0.386 0.000 0.867 261 S CA -0.500 57.523 58.200 -0.295 0.000 0.886 261 S CB -0.343 62.616 63.200 -0.402 0.000 1.115 261 S HN 2.090 nan 8.310 nan 0.000 0.485 262 A N -0.015 122.631 122.820 -0.289 0.000 2.012 262 A HA 0.454 4.774 4.320 0.000 0.000 0.504 262 A C 0.374 177.906 177.584 -0.087 0.000 0.596 262 A CA 0.292 52.211 52.037 -0.197 0.000 0.413 262 A CB -1.980 16.774 19.000 -0.410 0.000 2.918 262 A HN 2.545 nan 8.150 nan 0.000 0.406 263 A N 3.586 126.401 122.820 -0.008 0.000 2.312 263 A HA 0.803 5.123 4.320 0.000 0.000 0.328 263 A C 0.611 178.219 177.584 0.041 0.000 1.158 263 A CA -0.259 51.797 52.037 0.032 0.000 0.821 263 A CB 0.361 19.391 19.000 0.050 0.000 1.170 263 A HN 2.122 nan 8.150 nan 0.000 0.490 264 I N 0.037 120.645 120.570 0.062 0.000 2.775 264 I HA 0.422 4.592 4.170 0.000 0.000 0.290 264 I C 1.164 177.312 176.117 0.052 0.000 1.203 264 I CA 0.726 62.063 61.300 0.062 0.000 1.433 264 I CB -0.202 37.850 38.000 0.087 0.000 1.354 264 I HN 1.225 nan 8.210 nan 0.000 0.579 265 G N 3.818 112.643 108.800 0.040 0.000 2.396 265 G HA2 -0.257 3.703 3.960 0.000 0.000 0.242 265 G HA3 -0.257 3.703 3.960 0.000 0.000 0.242 265 G C 0.775 175.691 174.900 0.027 0.000 1.069 265 G CA -0.015 45.103 45.100 0.030 0.000 0.633 265 G HN 1.369 nan 8.290 nan 0.000 0.517 266 G N 0.778 109.599 108.800 0.035 0.000 2.305 266 G HA2 0.516 4.476 3.960 0.000 0.000 0.281 266 G HA3 0.516 4.476 3.960 0.000 0.000 0.281 266 G C 1.411 176.334 174.900 0.039 0.000 1.085 266 G CA 1.391 46.513 45.100 0.036 0.000 1.211 266 G HN 1.624 nan 8.290 nan 0.000 0.421 267 A N 2.724 125.560 122.820 0.028 0.000 1.916 267 A HA -0.314 4.006 4.320 0.000 0.000 0.224 267 A C 2.067 179.672 177.584 0.035 0.000 1.366 267 A CA 2.230 54.280 52.037 0.020 0.000 0.692 267 A CB -0.677 18.330 19.000 0.010 0.000 0.841 267 A HN 0.725 nan 8.150 nan 0.000 0.480 268 E N -0.269 119.966 120.200 0.057 0.000 2.448 268 E HA -0.075 4.275 4.350 0.000 0.000 0.203 268 E C 1.902 178.622 176.600 0.200 0.000 1.046 268 E CA 0.794 57.252 56.400 0.097 0.000 0.871 268 E CB -0.306 29.475 29.700 0.136 0.000 0.790 268 E HN 0.653 nan 8.360 nan 0.000 0.545 269 A N 1.806 124.725 122.820 0.164 0.000 1.828 269 A HA -0.239 4.081 4.320 0.000 0.000 0.215 269 A C 1.903 179.608 177.584 0.201 0.000 1.203 269 A CA 1.560 53.720 52.037 0.205 0.000 0.614 269 A CB -0.735 18.321 19.000 0.094 0.000 0.844 269 A HN 0.336 nan 8.150 nan 0.000 0.445 270 N N 0.565 119.314 118.700 0.082 0.000 2.242 270 N HA -0.249 4.491 4.740 0.000 0.000 0.191 270 N C 1.793 177.310 175.510 0.011 0.000 1.005 270 N CA 1.491 54.561 53.050 0.034 0.000 0.877 270 N CB -0.475 38.002 38.487 -0.016 0.000 0.983 270 N HN 0.550 nan 8.380 nan 0.000 0.439 271 A N 0.934 123.736 122.820 -0.031 0.000 1.865 271 A HA -0.122 4.198 4.320 0.000 0.000 0.217 271 A C 1.965 179.409 177.584 -0.234 0.000 1.191 271 A CA 1.228 53.146 52.037 -0.199 0.000 0.623 271 A CB -0.941 17.827 19.000 -0.386 0.000 0.826 271 A HN 0.203 nan 8.150 nan 0.000 0.444 272 F N 0.904 120.786 119.950 -0.112 0.000 2.186 272 F HA -0.119 4.408 4.527 0.000 0.000 0.299 272 F C 2.795 178.665 175.800 0.116 0.000 1.090 272 F CA 1.351 59.276 58.000 -0.124 0.000 1.307 272 F CB -0.670 38.204 39.000 -0.209 0.000 1.019 272 F HN 0.114 nan 8.300 nan 0.000 0.489 273 S N 0.154 116.026 115.700 0.287 0.000 2.370 273 S HA -0.163 4.307 4.470 0.000 0.000 0.226 273 S C 2.296 177.028 174.600 0.220 0.000 1.033 273 S CA 1.445 59.792 58.200 0.245 0.000 1.011 273 S CB -0.685 62.593 63.200 0.130 0.000 0.852 273 S HN 0.172 nan 8.310 nan 0.000 0.457 274 V N 1.808 121.772 119.914 0.085 0.000 2.358 274 V HA -0.079 4.041 4.120 0.000 0.000 0.246 274 V C 2.203 178.355 176.094 0.097 0.000 1.047 274 V CA 1.400 63.717 62.300 0.028 0.000 1.035 274 V CB -0.635 31.163 31.823 -0.042 0.000 0.658 274 V HN 0.408 nan 8.190 nan 0.000 0.452 275 L N 0.315 121.581 121.223 0.072 0.000 2.201 275 L HA -0.161 4.179 4.340 0.000 0.000 0.212 275 L C 2.349 179.375 176.870 0.260 0.000 1.105 275 L CA 2.054 56.946 54.840 0.088 0.000 0.775 275 L CB -0.925 41.091 42.059 -0.071 0.000 0.913 275 L HN 0.439 nan 8.230 nan 0.000 0.440 276 Q N -1.246 118.778 119.800 0.373 0.000 2.084 276 Q HA -0.260 4.081 4.340 0.000 0.000 0.202 276 Q C 1.892 178.006 176.000 0.190 0.000 0.978 276 Q CA 2.175 58.185 55.803 0.347 0.000 0.844 276 Q CB -0.108 28.855 28.738 0.375 0.000 0.898 276 Q HN 0.686 nan 8.270 nan 0.000 0.426 277 H N -0.814 118.307 119.070 0.086 0.000 2.465 277 H HA 0.076 4.632 4.556 0.000 0.000 0.289 277 H C 1.946 177.294 175.328 0.034 0.000 1.022 277 H CA 1.086 57.162 56.048 0.047 0.000 1.340 277 H CB -0.367 29.417 29.762 0.037 0.000 1.437 277 H HN 0.302 nan 8.280 nan 0.000 0.539 278 V N 1.018 121.031 119.914 0.165 0.000 2.332 278 V HA -0.134 3.986 4.120 0.000 0.000 0.248 278 V C 1.215 177.348 176.094 0.065 0.000 1.055 278 V CA 1.567 63.917 62.300 0.084 0.000 1.038 278 V CB -0.628 31.226 31.823 0.051 0.000 0.651 278 V HN 0.144 nan 8.190 nan 0.000 0.450 279 L N -0.634 120.639 121.223 0.082 0.000 2.375 279 L HA 0.622 4.962 4.340 0.000 0.000 0.271 279 L C 1.137 178.018 176.870 0.019 0.000 1.107 279 L CA 0.678 55.548 54.840 0.049 0.000 0.806 279 L CB 1.286 43.391 42.059 0.077 0.000 1.146 279 L HN 0.603 nan 8.230 nan 0.000 0.447 280 G N 1.128 109.931 108.800 0.004 0.000 1.801 280 G HA2 -0.238 3.722 3.960 0.000 0.000 0.203 280 G HA3 -0.238 3.722 3.960 0.000 0.000 0.203 280 G C 0.853 175.768 174.900 0.025 0.000 2.274 280 G CA 0.330 45.427 45.100 -0.004 0.000 1.481 280 G HN 0.747 nan 8.290 nan 0.000 0.471 281 A N 0.893 123.714 122.820 0.002 0.000 2.093 281 A HA -0.098 4.222 4.320 0.000 0.000 0.222 281 A C 2.031 179.641 177.584 0.043 0.000 1.162 281 A CA 2.573 54.615 52.037 0.009 0.000 0.655 281 A CB -0.618 18.381 19.000 -0.000 0.000 0.805 281 A HN 0.509 nan 8.150 nan 0.000 0.461 282 N N -0.296 118.423 118.700 0.031 0.000 2.124 282 N HA -0.054 4.686 4.740 0.000 0.000 0.189 282 N C -0.717 174.808 175.510 0.024 0.000 1.050 282 N CA 1.570 54.632 53.050 0.020 0.000 0.848 282 N CB -1.384 37.102 38.487 -0.001 0.000 1.027 282 N HN 0.324 nan 8.380 nan 0.000 0.435 283 P HA -0.204 nan 4.420 nan 0.000 0.216 283 P C 1.394 178.742 177.300 0.080 0.000 1.153 283 P CA 1.581 64.671 63.100 -0.017 0.000 0.858 283 P CB -0.151 31.508 31.700 -0.068 0.000 0.789 284 H N 0.657 119.777 119.070 0.083 0.000 2.256 284 H HA -0.052 4.504 4.556 0.000 0.000 0.299 284 H C 1.727 177.170 175.328 0.192 0.000 1.071 284 H CA 1.550 57.745 56.048 0.246 0.000 1.280 284 H CB -0.551 29.286 29.762 0.126 0.000 1.370 284 H HN -0.155 nan 8.280 nan 0.000 0.490 285 V N 1.466 121.555 119.914 0.291 0.000 3.330 285 V HA -0.138 3.982 4.120 0.000 0.000 0.273 285 V C 2.332 178.459 176.094 0.055 0.000 1.179 285 V CA 1.906 64.306 62.300 0.167 0.000 1.174 285 V CB -1.029 30.858 31.823 0.107 0.000 0.794 285 V HN 0.563 nan 8.190 nan 0.000 0.527 286 K N -0.235 120.173 120.400 0.013 0.000 2.358 286 K HA 0.565 4.885 4.320 0.000 0.000 0.197 286 K C 0.961 177.486 176.600 -0.126 0.000 1.025 286 K CA 0.666 56.925 56.287 -0.048 0.000 1.104 286 K CB -0.039 32.431 32.500 -0.050 0.000 0.855 286 K HN 0.564 nan 8.250 nan 0.000 0.531 287 R N 0.337 120.703 120.500 -0.225 0.000 2.483 287 R HA 0.722 5.062 4.340 0.000 0.000 0.303 287 R C 0.327 176.304 176.300 -0.537 0.000 0.987 287 R CA -0.200 55.626 56.100 -0.457 0.000 0.881 287 R CB 0.684 30.526 30.300 -0.763 0.000 1.177 287 R HN 0.669 nan 8.270 nan 0.000 0.451 307 F N -0.705 119.168 119.950 -0.130 0.000 3.523 307 F HA 0.859 5.386 4.527 0.000 0.000 0.328 307 F C -2.161 173.565 175.800 -0.123 0.000 1.181 307 F CA -0.820 57.105 58.000 -0.124 0.000 0.901 307 F CB 0.864 39.780 39.000 -0.140 0.000 1.586 307 F HN 0.143 nan 8.300 nan 0.000 0.520 308 D N -0.093 119.842 120.400 -0.774 0.000 2.812 308 D HA 0.553 5.193 4.640 0.000 0.000 0.210 308 D C -1.924 174.251 176.300 -0.208 0.000 1.260 308 D CA 0.068 53.626 54.000 -0.737 0.000 0.817 308 D CB 1.962 42.553 40.800 -0.347 0.000 1.694 308 D HN 1.355 nan 8.370 nan 0.000 0.530 309 V N 0.247 120.096 119.914 -0.109 0.000 2.932 309 V HA 0.754 4.874 4.120 0.000 0.000 0.307 309 V C -0.496 175.601 176.094 0.004 0.000 1.147 309 V CA -0.436 61.908 62.300 0.074 0.000 0.951 309 V CB 2.341 34.328 31.823 0.273 0.000 1.031 309 V HN 0.464 nan 8.190 nan 0.000 0.426 310 S N 1.157 116.797 115.700 -0.101 0.000 2.705 310 S HA 0.932 5.402 4.470 0.000 0.000 0.280 310 S C -0.239 174.324 174.600 -0.062 0.000 1.174 310 S CA -0.093 58.017 58.200 -0.150 0.000 0.823 310 S CB 1.848 64.842 63.200 -0.343 0.000 1.162 310 S HN 2.169 nan 8.310 nan 0.000 0.487 311 A N 1.321 124.098 122.820 -0.073 0.000 2.260 311 A HA 0.663 4.983 4.320 0.000 0.000 0.312 311 A C -0.813 176.739 177.584 -0.054 0.000 1.321 311 A CA -0.292 51.698 52.037 -0.078 0.000 0.928 311 A CB -0.474 18.474 19.000 -0.087 0.000 1.158 311 A HN 0.577 nan 8.150 nan 0.000 0.542 312 F N 3.067 122.921 119.950 -0.160 0.000 2.399 312 F HA 0.529 5.056 4.527 0.000 0.000 0.342 312 F C 0.162 175.832 175.800 -0.216 0.000 1.106 312 F CA -0.278 57.707 58.000 -0.025 0.000 1.196 312 F CB 0.913 39.980 39.000 0.112 0.000 1.163 312 F HN 0.591 nan 8.300 nan 0.000 0.547 313 N N 3.949 122.045 118.700 -1.005 0.000 2.655 313 N HA 0.524 5.264 4.740 0.000 0.000 0.277 313 N C -2.052 173.028 175.510 -0.716 0.000 1.177 313 N CA -0.260 52.383 53.050 -0.678 0.000 0.882 313 N CB 1.264 39.677 38.487 -0.123 0.000 1.481 313 N HN 0.774 nan 8.380 nan 0.000 0.547 314 A N 2.046 124.411 122.820 -0.758 0.000 2.318 314 A HA 0.741 5.061 4.320 0.000 0.000 0.317 314 A C -0.678 176.602 177.584 -0.507 0.000 1.159 314 A CA -0.530 51.155 52.037 -0.587 0.000 0.799 314 A CB 1.016 19.655 19.000 -0.602 0.000 1.194 314 A HN 0.463 nan 8.150 nan 0.000 0.479 315 S N 1.819 117.305 115.700 -0.356 0.000 2.474 315 S HA 0.617 5.087 4.470 0.000 0.000 0.321 315 S C -1.012 173.542 174.600 -0.077 0.000 1.080 315 S CA -0.203 57.876 58.200 -0.202 0.000 1.106 315 S CB 0.125 63.284 63.200 -0.067 0.000 0.984 315 S HN 0.535 nan 8.310 nan 0.000 0.464 316 Y N 1.214 121.535 120.300 0.036 0.000 2.654 316 Y HA 0.355 4.905 4.550 0.000 0.000 0.328 316 Y C 2.119 178.046 175.900 0.046 0.000 1.174 316 Y CA -1.570 56.559 58.100 0.048 0.000 1.293 316 Y CB 0.040 38.527 38.460 0.046 0.000 1.464 316 Y HN 0.637 nan 8.280 nan 0.000 0.559 317 S N 0.028 115.872 115.700 0.241 0.000 2.343 317 S HA -0.204 4.266 4.470 0.000 0.000 0.219 317 S C 0.592 175.262 174.600 0.116 0.000 1.033 317 S CA 1.854 60.137 58.200 0.138 0.000 1.014 317 S CB -0.653 62.604 63.200 0.095 0.000 0.915 317 S HN 0.730 nan 8.310 nan 0.000 0.435 318 D N -0.369 120.103 120.400 0.120 0.000 2.670 318 D HA 0.596 5.236 4.640 0.000 0.000 0.255 318 D C 0.023 176.407 176.300 0.139 0.000 1.286 318 D CA -0.153 53.909 54.000 0.104 0.000 0.830 318 D CB 0.567 41.413 40.800 0.077 0.000 1.065 318 D HN 0.350 nan 8.370 nan 0.000 0.486 319 S N -1.988 113.816 115.700 0.174 0.000 2.690 319 S HA 0.643 5.113 4.470 0.000 0.000 0.264 319 S C -1.241 173.464 174.600 0.175 0.000 1.040 319 S CA -0.392 57.921 58.200 0.188 0.000 0.869 319 S CB 0.587 63.985 63.200 0.330 0.000 1.132 319 S HN 0.761 nan 8.310 nan 0.000 0.474 320 G N 0.001 108.863 108.800 0.103 0.000 2.548 320 G HA2 0.632 4.592 3.960 0.000 0.000 0.301 320 G HA3 0.632 4.592 3.960 0.000 0.000 0.301 320 G C -2.336 172.536 174.900 -0.047 0.000 1.349 320 G CA -0.555 44.504 45.100 -0.068 0.000 0.792 320 G HN 0.870 nan 8.290 nan 0.000 0.481 321 L N -0.456 120.691 121.223 -0.127 0.000 2.409 321 L HA 0.788 5.128 4.340 0.000 0.000 0.262 321 L C -1.568 175.322 176.870 0.034 0.000 0.992 321 L CA -0.802 54.050 54.840 0.020 0.000 0.817 321 L CB 2.722 44.881 42.059 0.166 0.000 1.350 321 L HN 0.577 nan 8.230 nan 0.000 0.411 322 F N 0.683 120.653 119.950 0.033 0.000 2.588 322 F HA 0.783 5.310 4.527 0.000 0.000 0.314 322 F C -0.041 175.960 175.800 0.334 0.000 1.134 322 F CA 0.241 58.291 58.000 0.083 0.000 0.961 322 F CB 2.073 41.048 39.000 -0.042 0.000 1.239 322 F HN 0.544 nan 8.300 nan 0.000 0.448 323 G N 3.334 111.881 108.800 -0.422 0.000 2.609 323 G HA2 0.403 4.363 3.960 0.000 0.000 0.082 323 G HA3 0.403 4.363 3.960 0.000 0.000 0.082 323 G C -1.729 173.180 174.900 0.015 0.000 1.075 323 G CA 0.069 45.122 45.100 -0.078 0.000 1.172 323 G HN 1.226 nan 8.290 nan 0.000 0.532 324 F N -0.437 119.549 119.950 0.060 0.000 2.652 324 F HA 0.696 5.223 4.527 0.000 0.000 0.320 324 F C -1.413 174.488 175.800 0.169 0.000 1.115 324 F CA -1.955 56.091 58.000 0.076 0.000 1.053 324 F CB 0.358 39.344 39.000 -0.023 0.000 1.297 324 F HN 0.801 nan 8.300 nan 0.000 0.471 325 Y N 0.316 120.628 120.300 0.020 0.000 2.387 325 Y HA 0.829 5.379 4.550 0.000 0.000 0.330 325 Y C -0.201 175.735 175.900 0.060 0.000 1.133 325 Y CA -1.563 56.497 58.100 -0.067 0.000 1.152 325 Y CB 1.348 39.728 38.460 -0.134 0.000 1.215 325 Y HN 0.785 nan 8.280 nan 0.000 0.466 326 T N 1.443 116.084 114.554 0.144 0.000 2.985 326 T HA 0.601 4.951 4.350 0.000 0.000 0.315 326 T C -0.789 173.891 174.700 -0.033 0.000 1.001 326 T CA -0.619 61.538 62.100 0.095 0.000 1.016 326 T CB -0.222 68.775 68.868 0.215 0.000 0.993 326 T HN 0.678 nan 8.240 nan 0.000 0.454 327 I N 3.984 124.463 120.570 -0.151 0.000 2.396 327 I HA 0.474 4.644 4.170 0.000 0.000 0.289 327 I C 0.657 176.750 176.117 -0.041 0.000 1.056 327 I CA -0.112 61.025 61.300 -0.272 0.000 1.365 327 I CB 0.723 38.532 38.000 -0.319 0.000 1.407 327 I HN 0.897 nan 8.210 nan 0.000 0.509 328 S N 4.421 120.130 115.700 0.014 0.000 2.607 328 S HA 0.404 4.874 4.470 0.000 0.000 0.273 328 S C -0.829 173.815 174.600 0.072 0.000 1.148 328 S CA -1.027 57.228 58.200 0.091 0.000 0.833 328 S CB 1.791 65.061 63.200 0.117 0.000 1.130 328 S HN 0.639 nan 8.310 nan 0.000 0.470 329 Q N 0.352 120.195 119.800 0.072 0.000 2.454 329 Q HA 0.489 4.829 4.340 0.000 0.000 0.247 329 Q C 1.451 177.504 176.000 0.088 0.000 1.028 329 Q CA 0.217 56.053 55.803 0.055 0.000 0.910 329 Q CB 0.835 29.564 28.738 -0.013 0.000 1.276 329 Q HN 0.924 nan 8.270 nan 0.000 0.489 330 A N 3.211 126.058 122.820 0.045 0.000 1.849 330 A HA -0.298 4.022 4.320 0.000 0.000 0.216 330 A C 1.999 179.490 177.584 -0.156 0.000 1.225 330 A CA 2.481 54.503 52.037 -0.025 0.000 0.653 330 A CB -1.710 17.255 19.000 -0.058 0.000 0.844 330 A HN 0.984 nan 8.150 nan 0.000 0.453 331 A N -2.152 120.454 122.820 -0.356 0.000 1.978 331 A HA -0.086 4.234 4.320 0.000 0.000 0.220 331 A C 1.749 179.163 177.584 -0.284 0.000 1.170 331 A CA 1.652 53.336 52.037 -0.588 0.000 0.636 331 A CB -0.787 17.901 19.000 -0.521 0.000 0.810 331 A HN 0.657 nan 8.150 nan 0.000 0.448 332 Y N -0.213 120.012 120.300 -0.125 0.000 2.465 332 Y HA 0.370 4.920 4.550 0.000 0.000 0.311 332 Y C 2.165 178.040 175.900 -0.042 0.000 1.204 332 Y CA -0.376 57.683 58.100 -0.068 0.000 1.272 332 Y CB -0.933 37.490 38.460 -0.062 0.000 1.083 332 Y HN 0.342 nan 8.280 nan 0.000 0.508 333 A N 0.391 123.248 122.820 0.061 0.000 1.841 333 A HA -0.082 4.238 4.320 0.000 0.000 0.214 333 A C 2.621 180.235 177.584 0.050 0.000 1.195 333 A CA 1.743 53.817 52.037 0.062 0.000 0.611 333 A CB -1.258 17.777 19.000 0.058 0.000 0.835 333 A HN 0.486 nan 8.150 nan 0.000 0.443 334 G N -0.742 108.080 108.800 0.037 0.000 2.446 334 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 334 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 334 G C 1.604 176.520 174.900 0.026 0.000 1.168 334 G CA 1.117 46.236 45.100 0.031 0.000 0.771 334 G HN 0.663 nan 8.290 nan 0.000 0.551 335 Q N -0.116 119.686 119.800 0.003 0.000 1.948 335 Q HA -0.126 4.214 4.340 0.000 0.000 0.205 335 Q C 2.862 178.859 176.000 -0.006 0.000 0.992 335 Q CA 1.818 57.617 55.803 -0.007 0.000 0.849 335 Q CB -0.682 28.043 28.738 -0.021 0.000 0.918 335 Q HN 0.343 nan 8.270 nan 0.000 0.421 336 V N 2.338 122.245 119.914 -0.011 0.000 2.278 336 V HA -0.300 3.820 4.120 0.000 0.000 0.251 336 V C 2.415 178.529 176.094 0.033 0.000 1.062 336 V CA 2.275 64.547 62.300 -0.047 0.000 1.038 336 V CB -1.035 30.773 31.823 -0.025 0.000 0.646 336 V HN 0.466 nan 8.190 nan 0.000 0.447 337 I N -1.595 119.040 120.570 0.108 0.000 2.315 337 I HA -0.216 3.954 4.170 0.000 0.000 0.248 337 I C 2.418 178.652 176.117 0.196 0.000 1.117 337 I CA 1.760 63.194 61.300 0.224 0.000 1.404 337 I CB -0.729 37.392 38.000 0.203 0.000 1.071 337 I HN 0.200 nan 8.210 nan 0.000 0.419 338 K N 1.917 122.391 120.400 0.123 0.000 1.985 338 K HA -0.087 4.233 4.320 0.000 0.000 0.210 338 K C 2.494 179.171 176.600 0.129 0.000 1.047 338 K CA 1.726 58.103 56.287 0.151 0.000 0.932 338 K CB -0.469 32.089 32.500 0.097 0.000 0.716 338 K HN 0.418 nan 8.250 nan 0.000 0.439 339 A N 1.632 124.472 122.820 0.033 0.000 1.884 339 A HA -0.254 4.066 4.320 0.000 0.000 0.219 339 A C 2.395 179.935 177.584 -0.073 0.000 1.197 339 A CA 2.415 54.435 52.037 -0.028 0.000 0.637 339 A CB -1.093 17.856 19.000 -0.085 0.000 0.827 339 A HN 0.412 nan 8.150 nan 0.000 0.450 340 A N -2.471 120.273 122.820 -0.126 0.000 2.070 340 A HA -0.049 4.271 4.320 0.000 0.000 0.220 340 A C 2.076 179.371 177.584 -0.482 0.000 1.159 340 A CA 1.703 53.553 52.037 -0.311 0.000 0.656 340 A CB -0.614 18.168 19.000 -0.363 0.000 0.800 340 A HN 0.741 nan 8.150 nan 0.000 0.453 341 Y N 1.185 121.259 120.300 -0.378 0.000 2.206 341 Y HA -0.091 4.459 4.550 0.000 0.000 0.292 341 Y C 2.169 178.046 175.900 -0.038 0.000 1.123 341 Y CA 1.453 59.451 58.100 -0.171 0.000 1.142 341 Y CB -0.262 38.298 38.460 0.166 0.000 1.006 341 Y HN 0.320 nan 8.280 nan 0.000 0.518 342 N N 0.214 118.914 118.700 -0.000 0.000 2.094 342 N HA -0.212 4.528 4.740 0.000 0.000 0.191 342 N C 1.754 177.205 175.510 -0.099 0.000 1.023 342 N CA 1.462 54.475 53.050 -0.062 0.000 0.857 342 N CB -0.384 38.097 38.487 -0.010 0.000 1.013 342 N HN 0.470 nan 8.380 nan 0.000 0.426 343 Q N 0.717 120.450 119.800 -0.111 0.000 2.096 343 Q HA -0.065 4.275 4.340 0.000 0.000 0.204 343 Q C 2.199 178.130 176.000 -0.115 0.000 0.982 343 Q CA 0.901 56.639 55.803 -0.108 0.000 0.850 343 Q CB -0.313 28.353 28.738 -0.121 0.000 0.901 343 Q HN 0.251 nan 8.270 nan 0.000 0.422 344 V N 0.910 120.721 119.914 -0.171 0.000 2.809 344 V HA -0.197 3.923 4.120 0.000 0.000 0.256 344 V C 2.315 178.380 176.094 -0.049 0.000 1.080 344 V CA 1.567 63.784 62.300 -0.138 0.000 1.102 344 V CB -0.500 31.150 31.823 -0.288 0.000 0.705 344 V HN 0.298 nan 8.190 nan 0.000 0.475 345 K N 1.220 121.561 120.400 -0.098 0.000 1.980 345 K HA -0.176 4.144 4.320 0.000 0.000 0.208 345 K C 2.300 178.877 176.600 -0.039 0.000 1.043 345 K CA 2.006 58.247 56.287 -0.077 0.000 0.938 345 K CB -0.452 31.953 32.500 -0.158 0.000 0.724 345 K HN 0.575 nan 8.250 nan 0.000 0.438 346 T N -1.261 113.266 114.554 -0.046 0.000 3.051 346 T HA -0.068 4.282 4.350 0.000 0.000 0.269 346 T C 2.057 176.741 174.700 -0.025 0.000 1.127 346 T CA 1.094 63.175 62.100 -0.030 0.000 1.107 346 T CB -0.825 68.025 68.868 -0.029 0.000 0.898 346 T HN 0.241 nan 8.240 nan 0.000 0.517 347 I N 0.233 120.786 120.570 -0.028 0.000 2.928 347 I HA 0.712 4.882 4.170 0.000 0.000 0.266 347 I C 2.824 178.929 176.117 -0.020 0.000 1.234 347 I CA 1.099 62.386 61.300 -0.023 0.000 1.483 347 I CB -1.637 36.350 38.000 -0.023 0.000 1.097 347 I HN 0.661 nan 8.210 nan 0.000 0.455 348 A N -0.920 121.893 122.820 -0.012 0.000 1.943 348 A HA -0.018 4.302 4.320 0.000 0.000 0.213 348 A C 1.840 179.415 177.584 -0.015 0.000 1.181 348 A CA 0.559 52.590 52.037 -0.009 0.000 0.653 348 A CB -0.391 18.621 19.000 0.019 0.000 0.833 348 A HN 0.703 nan 8.150 nan 0.000 0.451 349 Q N 0.070 119.862 119.800 -0.014 0.000 2.292 349 Q HA 0.320 4.660 4.340 0.000 0.000 0.235 349 Q C 0.327 176.318 176.000 -0.016 0.000 0.910 349 Q CA 0.185 55.980 55.803 -0.014 0.000 0.952 349 Q CB -0.574 28.156 28.738 -0.013 0.000 1.089 349 Q HN 0.759 nan 8.270 nan 0.000 0.431 350 G N 2.207 110.995 108.800 -0.020 0.000 2.417 350 G HA2 -0.302 3.658 3.960 0.000 0.000 0.291 350 G HA3 -0.302 3.658 3.960 0.000 0.000 0.291 350 G C -0.349 174.540 174.900 -0.019 0.000 1.094 350 G CA 0.088 45.175 45.100 -0.021 0.000 1.146 350 G HN 0.609 nan 8.290 nan 0.000 0.519 351 N N -0.554 118.134 118.700 -0.020 0.000 2.679 351 N HA 0.443 5.183 4.740 0.000 0.000 0.302 351 N C -0.575 174.924 175.510 -0.017 0.000 1.941 351 N CA -0.349 52.691 53.050 -0.017 0.000 0.875 351 N CB 0.851 39.327 38.487 -0.018 0.000 1.278 351 N HN 0.179 nan 8.380 nan 0.000 0.490 352 V N 1.585 121.488 119.914 -0.018 0.000 2.577 352 V HA 0.240 4.360 4.120 0.000 0.000 0.294 352 V C 0.124 176.207 176.094 -0.017 0.000 1.052 352 V CA -0.931 61.359 62.300 -0.018 0.000 0.891 352 V CB 1.164 32.972 31.823 -0.025 0.000 1.017 352 V HN 0.423 nan 8.190 nan 0.000 0.436 353 S N 3.155 118.847 115.700 -0.013 0.000 2.580 353 S HA 0.238 4.708 4.470 0.000 0.000 0.274 353 S C 0.879 175.470 174.600 -0.015 0.000 1.329 353 S CA -0.525 57.667 58.200 -0.013 0.000 1.036 353 S CB 0.734 63.928 63.200 -0.009 0.000 0.919 353 S HN 0.648 nan 8.310 nan 0.000 0.515 354 N N 1.289 119.979 118.700 -0.017 0.000 2.585 354 N HA -0.113 4.627 4.740 0.000 0.000 0.188 354 N C 1.373 176.873 175.510 -0.016 0.000 1.102 354 N CA 0.873 53.911 53.050 -0.019 0.000 0.920 354 N CB -0.181 38.294 38.487 -0.020 0.000 0.963 354 N HN 0.899 nan 8.380 nan 0.000 0.447 355 E N 1.329 121.521 120.200 -0.012 0.000 2.060 355 E HA -0.041 4.309 4.350 0.000 0.000 0.189 355 E C 1.306 177.902 176.600 -0.006 0.000 0.974 355 E CA 0.448 56.843 56.400 -0.009 0.000 0.808 355 E CB 0.073 29.769 29.700 -0.007 0.000 0.768 355 E HN 0.355 nan 8.360 nan 0.000 0.453 356 N N 0.203 118.900 118.700 -0.004 0.000 2.021 356 N HA -0.209 4.531 4.740 0.000 0.000 0.198 356 N C 1.995 177.506 175.510 0.001 0.000 1.041 356 N CA 1.820 54.871 53.050 0.002 0.000 0.862 356 N CB -0.116 38.372 38.487 0.001 0.000 1.048 356 N HN 0.019 nan 8.380 nan 0.000 0.427 357 V N 1.373 121.281 119.914 -0.009 0.000 2.380 357 V HA -0.286 3.834 4.120 0.000 0.000 0.251 357 V C 2.459 178.541 176.094 -0.019 0.000 1.063 357 V CA 1.688 63.978 62.300 -0.017 0.000 1.055 357 V CB -0.734 31.072 31.823 -0.028 0.000 0.657 357 V HN 0.402 nan 8.190 nan 0.000 0.455 358 Q N -0.233 119.558 119.800 -0.016 0.000 2.050 358 Q HA -0.228 4.112 4.340 0.000 0.000 0.202 358 Q C 2.316 178.308 176.000 -0.012 0.000 0.980 358 Q CA 2.044 57.837 55.803 -0.017 0.000 0.840 358 Q CB -0.257 28.473 28.738 -0.013 0.000 0.898 358 Q HN 0.648 nan 8.270 nan 0.000 0.424 359 A N 0.889 123.707 122.820 -0.002 0.000 1.845 359 A HA -0.143 4.177 4.320 0.000 0.000 0.215 359 A C 2.334 179.925 177.584 0.012 0.000 1.195 359 A CA 1.881 53.922 52.037 0.007 0.000 0.616 359 A CB -1.240 17.770 19.000 0.016 0.000 0.832 359 A HN 0.559 nan 8.150 nan 0.000 0.443 360 A N -0.168 122.665 122.820 0.022 0.000 1.917 360 A HA -0.249 4.071 4.320 0.000 0.000 0.219 360 A C 2.075 179.610 177.584 -0.081 0.000 1.182 360 A CA 2.164 54.218 52.037 0.029 0.000 0.633 360 A CB -0.547 18.491 19.000 0.064 0.000 0.819 360 A HN 0.584 nan 8.150 nan 0.000 0.448 361 K N -0.343 120.017 120.400 -0.067 0.000 2.209 361 K HA -0.106 4.214 4.320 0.000 0.000 0.204 361 K C 1.585 178.135 176.600 -0.083 0.000 1.048 361 K CA 1.297 57.530 56.287 -0.090 0.000 0.940 361 K CB -0.149 32.314 32.500 -0.061 0.000 0.729 361 K HN 0.463 nan 8.250 nan 0.000 0.451 362 N N 0.812 119.483 118.700 -0.048 0.000 2.250 362 N HA -0.068 4.672 4.740 0.000 0.000 0.181 362 N C 1.334 176.835 175.510 -0.014 0.000 1.017 362 N CA 0.961 53.997 53.050 -0.024 0.000 0.866 362 N CB 0.114 38.598 38.487 -0.005 0.000 0.985 362 N HN 0.193 nan 8.380 nan 0.000 0.429 363 K N 1.045 121.441 120.400 -0.006 0.000 2.026 363 K HA -0.004 4.316 4.320 0.000 0.000 0.208 363 K C 2.145 178.743 176.600 -0.003 0.000 1.048 363 K CA 0.705 57.033 56.287 0.068 0.000 0.929 363 K CB -0.207 32.458 32.500 0.274 0.000 0.713 363 K HN 0.075 nan 8.250 nan 0.000 0.439 364 L N 1.432 122.493 121.223 -0.270 0.000 2.042 364 L HA -0.254 4.086 4.340 0.000 0.000 0.210 364 L C 2.270 179.136 176.870 -0.006 0.000 1.076 364 L CA 1.521 56.216 54.840 -0.243 0.000 0.749 364 L CB -0.354 41.496 42.059 -0.348 0.000 0.893 364 L HN 0.191 nan 8.230 nan 0.000 0.432 365 K N -0.396 119.996 120.400 -0.013 0.000 2.152 365 K HA -0.187 4.133 4.320 0.000 0.000 0.206 365 K C 2.068 178.734 176.600 0.111 0.000 1.048 365 K CA 1.373 57.692 56.287 0.052 0.000 0.933 365 K CB -0.215 32.294 32.500 0.015 0.000 0.721 365 K HN 0.350 nan 8.250 nan 0.000 0.447 366 A N 1.933 124.800 122.820 0.079 0.000 1.832 366 A HA -0.117 4.203 4.320 0.000 0.000 0.214 366 A C 1.828 179.469 177.584 0.094 0.000 1.242 366 A CA 1.111 53.194 52.037 0.077 0.000 0.603 366 A CB -0.362 18.675 19.000 0.061 0.000 0.902 366 A HN 0.094 nan 8.150 nan 0.000 0.455 367 K N -1.397 119.074 120.400 0.119 0.000 2.189 367 K HA -0.257 4.063 4.320 0.000 0.000 0.207 367 K C 1.854 178.531 176.600 0.128 0.000 1.046 367 K CA 2.076 58.442 56.287 0.131 0.000 0.928 367 K CB -0.471 32.151 32.500 0.204 0.000 0.720 367 K HN 0.659 nan 8.250 nan 0.000 0.458 368 Y N 1.554 121.886 120.300 0.053 0.000 2.109 368 Y HA -0.163 4.387 4.550 0.000 0.000 0.281 368 Y C 2.017 177.949 175.900 0.054 0.000 1.113 368 Y CA 1.262 59.392 58.100 0.051 0.000 1.098 368 Y CB -0.617 37.859 38.460 0.027 0.000 0.996 368 Y HN -0.135 nan 8.280 nan 0.000 0.485 369 L N -0.203 120.983 121.223 -0.061 0.000 2.013 369 L HA -0.338 4.002 4.340 0.000 0.000 0.212 369 L C 2.610 179.403 176.870 -0.128 0.000 1.073 369 L CA 2.123 56.883 54.840 -0.133 0.000 0.753 369 L CB -0.655 41.434 42.059 0.050 0.000 0.890 369 L HN 0.407 nan 8.230 nan 0.000 0.432 370 M N -0.772 118.798 119.600 -0.050 0.000 2.084 370 M HA -0.165 4.315 4.480 0.000 0.000 0.259 370 M C 1.467 177.737 176.300 -0.050 0.000 1.072 370 M CA 1.390 56.670 55.300 -0.033 0.000 1.107 370 M CB -0.442 32.159 32.600 0.002 0.000 1.299 370 M HN 0.048 nan 8.290 nan 0.000 0.413 371 S N 0.694 116.366 115.700 -0.046 0.000 3.797 371 S HA 0.142 4.612 4.470 0.000 0.000 0.187 371 S C 0.494 175.052 174.600 -0.071 0.000 1.165 371 S CA -0.014 58.167 58.200 -0.030 0.000 1.013 371 S CB -0.534 62.669 63.200 0.004 0.000 1.456 371 S HN 0.299 nan 8.310 nan 0.000 0.442 372 V N -0.529 119.349 119.914 -0.060 0.000 4.200 372 V HA 0.034 4.154 4.120 0.000 0.000 0.332 372 V C 1.316 177.399 176.094 -0.017 0.000 1.744 372 V CA -0.232 62.056 62.300 -0.021 0.000 1.469 372 V CB -0.075 31.642 31.823 -0.176 0.000 1.024 372 V HN 0.389 nan 8.190 nan 0.000 0.397 373 E N 1.771 121.955 120.200 -0.028 0.000 2.028 373 E HA -0.041 4.309 4.350 0.000 0.000 0.190 373 E C 1.211 177.822 176.600 0.017 0.000 0.984 373 E CA 1.282 57.662 56.400 -0.034 0.000 0.800 373 E CB -0.026 29.660 29.700 -0.023 0.000 0.758 373 E HN 0.634 nan 8.360 nan 0.000 0.448 374 S N 1.422 117.152 115.700 0.049 0.000 2.481 374 S HA 0.022 4.492 4.470 0.000 0.000 0.282 374 S C 1.208 175.893 174.600 0.142 0.000 1.243 374 S CA 0.003 58.247 58.200 0.073 0.000 1.078 374 S CB 1.178 64.413 63.200 0.058 0.000 0.916 374 S HN 0.238 nan 8.310 nan 0.000 0.495 375 S N 1.837 117.632 115.700 0.159 0.000 2.441 375 S HA -0.246 4.224 4.470 0.000 0.000 0.242 375 S C 1.410 176.113 174.600 0.172 0.000 1.018 375 S CA 1.411 59.763 58.200 0.254 0.000 0.988 375 S CB -0.495 62.815 63.200 0.184 0.000 0.778 375 S HN 0.795 nan 8.310 nan 0.000 0.498 376 E N 1.748 122.011 120.200 0.105 0.000 2.086 376 E HA 0.182 4.532 4.350 0.000 0.000 0.190 376 E C 2.109 178.750 176.600 0.068 0.000 0.975 376 E CA 1.056 57.492 56.400 0.060 0.000 0.813 376 E CB -0.965 28.759 29.700 0.039 0.000 0.768 376 E HN 0.551 nan 8.360 nan 0.000 0.457 377 G N -0.548 108.308 108.800 0.094 0.000 2.598 377 G HA2 -0.181 3.779 3.960 0.000 0.000 0.215 377 G HA3 -0.181 3.779 3.960 0.000 0.000 0.215 377 G C 1.229 176.209 174.900 0.134 0.000 1.131 377 G CA 0.619 45.777 45.100 0.096 0.000 0.785 377 G HN 0.344 nan 8.290 nan 0.000 0.539 378 F N 0.509 120.474 119.950 0.025 0.000 2.374 378 F HA 0.310 4.837 4.527 0.000 0.000 0.291 378 F C 1.815 177.641 175.800 0.043 0.000 1.084 378 F CA -0.121 57.888 58.000 0.014 0.000 1.413 378 F CB -0.218 38.782 39.000 -0.000 0.000 1.099 378 F HN 0.043 nan 8.300 nan 0.000 0.534 379 L N 1.202 122.093 121.223 -0.552 0.000 2.362 379 L HA -0.103 4.237 4.340 0.000 0.000 0.219 379 L C 1.908 178.699 176.870 -0.132 0.000 1.134 379 L CA 1.823 56.346 54.840 -0.529 0.000 0.807 379 L CB -1.076 40.868 42.059 -0.192 0.000 0.927 379 L HN 0.352 nan 8.230 nan 0.000 0.447 380 E N -0.043 120.155 120.200 -0.003 0.000 2.107 380 E HA -0.166 4.184 4.350 0.000 0.000 0.191 380 E C 1.925 178.555 176.600 0.050 0.000 0.982 380 E CA 1.017 57.507 56.400 0.150 0.000 0.809 380 E CB 0.178 29.962 29.700 0.139 0.000 0.756 380 E HN 0.369 nan 8.360 nan 0.000 0.459 381 E N 0.098 120.310 120.200 0.020 0.000 2.006 381 E HA -0.128 4.222 4.350 0.000 0.000 0.192 381 E C 2.346 178.947 176.600 0.002 0.000 0.993 381 E CA 1.647 58.100 56.400 0.088 0.000 0.808 381 E CB -0.869 28.968 29.700 0.229 0.000 0.764 381 E HN 0.361 nan 8.360 nan 0.000 0.449 382 V N -0.613 119.240 119.914 -0.103 0.000 2.527 382 V HA -0.162 3.958 4.120 0.000 0.000 0.255 382 V C 2.006 177.886 176.094 -0.358 0.000 1.081 382 V CA 2.290 64.461 62.300 -0.215 0.000 1.092 382 V CB -1.356 30.228 31.823 -0.399 0.000 0.673 382 V HN 0.207 nan 8.190 nan 0.000 0.470 383 G N -0.191 108.259 108.800 -0.582 0.000 2.473 383 G HA2 -0.108 3.852 3.960 0.000 0.000 0.212 383 G HA3 -0.108 3.852 3.960 0.000 0.000 0.212 383 G C 1.618 176.016 174.900 -0.837 0.000 1.211 383 G CA 0.811 45.145 45.100 -1.277 0.000 0.813 383 G HN 0.523 nan 8.290 nan 0.000 0.541 384 S N 0.304 115.735 115.700 -0.449 0.000 2.389 384 S HA -0.286 4.184 4.470 0.000 0.000 0.231 384 S C 2.201 176.755 174.600 -0.077 0.000 1.052 384 S CA 1.989 60.128 58.200 -0.103 0.000 1.053 384 S CB -0.352 62.875 63.200 0.045 0.000 0.886 384 S HN 0.571 nan 8.310 nan 0.000 0.456 385 Q N 0.783 120.542 119.800 -0.068 0.000 1.946 385 Q HA 0.021 4.362 4.340 0.000 0.000 0.199 385 Q C 2.336 178.309 176.000 -0.044 0.000 0.979 385 Q CA 1.103 56.902 55.803 -0.006 0.000 0.834 385 Q CB -0.462 28.323 28.738 0.078 0.000 0.899 385 Q HN 0.512 nan 8.270 nan 0.000 0.431 386 A N 0.382 123.147 122.820 -0.093 0.000 2.225 386 A HA -0.221 4.099 4.320 0.000 0.000 0.222 386 A C 1.777 179.305 177.584 -0.092 0.000 1.170 386 A CA 1.469 53.445 52.037 -0.102 0.000 0.672 386 A CB -0.520 18.374 19.000 -0.176 0.000 0.802 386 A HN 0.482 nan 8.150 nan 0.000 0.481 387 L N -1.912 119.251 121.223 -0.100 0.000 2.265 387 L HA 0.392 4.732 4.340 0.000 0.000 0.195 387 L C 2.656 179.523 176.870 -0.004 0.000 1.083 387 L CA 1.610 56.423 54.840 -0.046 0.000 0.798 387 L CB -0.832 41.211 42.059 -0.026 0.000 0.989 387 L HN 0.205 nan 8.230 nan 0.000 0.472 388 A N -0.277 122.548 122.820 0.008 0.000 1.877 388 A HA -0.024 4.296 4.320 0.000 0.000 0.216 388 A C 2.160 179.759 177.584 0.025 0.000 1.186 388 A CA 2.280 54.335 52.037 0.030 0.000 0.620 388 A CB -1.030 17.996 19.000 0.042 0.000 0.822 388 A HN 0.563 nan 8.150 nan 0.000 0.443 389 A N -3.125 119.707 122.820 0.019 0.000 2.134 389 A HA 0.488 4.808 4.320 0.000 0.000 0.223 389 A C 1.850 179.444 177.584 0.016 0.000 1.738 389 A CA 1.477 53.526 52.037 0.020 0.000 0.722 389 A CB -0.461 18.554 19.000 0.024 0.000 1.346 389 A HN 1.740 nan 8.150 nan 0.000 0.557 390 G N -1.603 107.207 108.800 0.017 0.000 2.613 390 G HA2 0.039 3.999 3.960 0.000 0.000 0.199 390 G HA3 0.039 3.999 3.960 0.000 0.000 0.199 390 G C 0.549 175.469 174.900 0.033 0.000 0.991 390 G CA 0.829 45.937 45.100 0.014 0.000 0.756 390 G HN 1.334 nan 8.290 nan 0.000 0.515 391 S N -0.743 114.986 115.700 0.049 0.000 2.561 391 S HA 0.806 5.276 4.470 0.000 0.000 0.282 391 S C -0.371 174.329 174.600 0.167 0.000 1.123 391 S CA -0.511 57.739 58.200 0.083 0.000 1.011 391 S CB 1.734 64.967 63.200 0.054 0.000 1.244 391 S HN 1.340 nan 8.310 nan 0.000 0.503 392 Y N 1.055 121.359 120.300 0.007 0.000 2.462 392 Y HA 0.316 4.866 4.550 0.000 0.000 0.316 392 Y C -1.443 174.474 175.900 0.029 0.000 1.163 392 Y CA -0.943 57.168 58.100 0.019 0.000 1.421 392 Y CB -0.157 38.318 38.460 0.025 0.000 1.149 392 Y HN 0.671 nan 8.280 nan 0.000 0.513 393 N N 7.387 125.897 118.700 -0.317 0.000 2.414 393 N HA 0.083 4.824 4.740 0.000 0.000 0.268 393 N C -2.507 172.636 175.510 -0.612 0.000 1.286 393 N CA -0.470 52.377 53.050 -0.339 0.000 0.896 393 N CB 0.809 39.169 38.487 -0.211 0.000 1.093 393 N HN 0.420 nan 8.380 nan 0.000 0.480 394 P HA 0.060 nan 4.420 nan 0.000 0.270 394 P C -1.832 175.342 177.300 -0.210 0.000 1.223 394 P CA -1.023 61.857 63.100 -0.366 0.000 0.785 394 P CB 0.484 32.103 31.700 -0.136 0.000 0.923 395 P HA -0.120 nan 4.420 nan 0.000 0.229 395 P C 1.210 178.491 177.300 -0.032 0.000 1.150 395 P CA 1.024 64.145 63.100 0.035 0.000 0.765 395 P CB -0.012 31.790 31.700 0.170 0.000 0.783 396 S N 0.469 116.139 115.700 -0.051 0.000 2.325 396 S HA -0.087 4.383 4.470 0.000 0.000 0.213 396 S C 2.122 176.676 174.600 -0.076 0.000 1.031 396 S CA 2.138 60.310 58.200 -0.048 0.000 0.984 396 S CB -1.354 61.825 63.200 -0.034 0.000 0.939 396 S HN 0.399 nan 8.310 nan 0.000 0.438 397 T N 0.371 114.869 114.554 -0.093 0.000 2.951 397 T HA 0.046 4.396 4.350 0.000 0.000 0.268 397 T C 1.740 176.359 174.700 -0.134 0.000 1.073 397 T CA 0.926 62.967 62.100 -0.098 0.000 1.134 397 T CB -0.695 68.120 68.868 -0.089 0.000 0.884 397 T HN 0.130 nan 8.240 nan 0.000 0.479 398 V N 1.308 121.110 119.914 -0.186 0.000 2.469 398 V HA -0.013 4.107 4.120 0.000 0.000 0.251 398 V C 2.914 178.859 176.094 -0.249 0.000 1.064 398 V CA 2.071 64.213 62.300 -0.263 0.000 1.066 398 V CB -0.767 30.798 31.823 -0.429 0.000 0.667 398 V HN 0.698 nan 8.190 nan 0.000 0.461 399 L N -1.016 120.092 121.223 -0.190 0.000 2.084 399 L HA 0.028 4.369 4.340 0.000 0.000 0.202 399 L C 2.574 179.382 176.870 -0.104 0.000 1.074 399 L CA 2.148 56.904 54.840 -0.140 0.000 0.757 399 L CB -1.686 40.319 42.059 -0.090 0.000 0.918 399 L HN 0.447 nan 8.230 nan 0.000 0.444 400 Q N -0.841 118.906 119.800 -0.088 0.000 2.325 400 Q HA -0.281 4.059 4.340 0.000 0.000 0.211 400 Q C 2.198 178.155 176.000 -0.071 0.000 0.988 400 Q CA 2.075 57.837 55.803 -0.069 0.000 0.887 400 Q CB -0.023 28.679 28.738 -0.060 0.000 0.915 400 Q HN 0.850 nan 8.270 nan 0.000 0.440 401 Q N -0.410 119.336 119.800 -0.089 0.000 2.204 401 Q HA -0.009 4.331 4.340 0.000 0.000 0.198 401 Q C 2.013 177.963 176.000 -0.083 0.000 0.946 401 Q CA 0.336 56.090 55.803 -0.083 0.000 0.859 401 Q CB -0.095 28.587 28.738 -0.094 0.000 0.946 401 Q HN 0.361 nan 8.270 nan 0.000 0.474 402 I N 1.408 121.917 120.570 -0.101 0.000 2.333 402 I HA -0.187 3.983 4.170 0.000 0.000 0.246 402 I C 0.831 176.900 176.117 -0.080 0.000 1.106 402 I CA 1.331 62.573 61.300 -0.096 0.000 1.411 402 I CB -0.293 37.633 38.000 -0.123 0.000 1.082 402 I HN -0.010 nan 8.210 nan 0.000 0.420 403 D N 1.679 122.034 120.400 -0.075 0.000 2.078 403 D HA -0.131 4.509 4.640 0.000 0.000 0.193 403 D C 2.338 178.606 176.300 -0.055 0.000 0.990 403 D CA 1.936 55.900 54.000 -0.060 0.000 0.827 403 D CB -0.287 40.481 40.800 -0.053 0.000 0.975 403 D HN 0.404 nan 8.370 nan 0.000 0.451 404 A N 0.265 123.053 122.820 -0.055 0.000 1.935 404 A HA -0.236 4.084 4.320 0.000 0.000 0.224 404 A C 1.295 178.851 177.584 -0.047 0.000 1.324 404 A CA 1.732 53.740 52.037 -0.048 0.000 0.686 404 A CB -0.861 18.110 19.000 -0.049 0.000 0.837 404 A HN 0.178 nan 8.150 nan 0.000 0.481 405 V N -2.804 117.078 119.914 -0.053 0.000 2.850 405 V HA 0.756 4.876 4.120 0.000 0.000 0.315 405 V C 0.568 176.626 176.094 -0.059 0.000 1.064 405 V CA -0.010 62.256 62.300 -0.056 0.000 0.979 405 V CB 1.258 33.045 31.823 -0.061 0.000 1.039 405 V HN 0.984 nan 8.190 nan 0.000 0.452 406 A N 0.955 123.739 122.820 -0.060 0.000 4.978 406 A HA 0.335 4.655 4.320 0.000 0.000 0.137 406 A C 0.915 178.461 177.584 -0.063 0.000 0.956 406 A CA 0.415 52.417 52.037 -0.059 0.000 1.577 406 A CB -0.467 18.505 19.000 -0.048 0.000 2.444 406 A HN 0.623 nan 8.150 nan 0.000 1.089 407 D N 0.839 121.207 120.400 -0.052 0.000 2.345 407 D HA -0.343 4.297 4.640 0.000 0.000 0.190 407 D C 2.000 178.265 176.300 -0.059 0.000 1.024 407 D CA 2.235 56.205 54.000 -0.050 0.000 0.893 407 D CB -0.821 39.955 40.800 -0.039 0.000 0.907 407 D HN 0.737 nan 8.370 nan 0.000 0.452 408 A N 1.491 124.277 122.820 -0.057 0.000 1.909 408 A HA -0.290 4.030 4.320 0.000 0.000 0.221 408 A C 1.608 179.147 177.584 -0.076 0.000 1.223 408 A CA 2.676 54.678 52.037 -0.059 0.000 0.658 408 A CB -0.564 18.403 19.000 -0.055 0.000 0.831 408 A HN 0.293 nan 8.150 nan 0.000 0.462 409 D N -2.683 117.658 120.400 -0.098 0.000 2.929 409 D HA 0.375 5.015 4.640 0.000 0.000 0.246 409 D C 1.700 177.902 176.300 -0.163 0.000 1.237 409 D CA 0.521 54.437 54.000 -0.140 0.000 1.171 409 D CB -0.701 39.999 40.800 -0.165 0.000 0.933 409 D HN 0.115 nan 8.370 nan 0.000 0.216 410 V N 0.509 120.293 119.914 -0.218 0.000 0.676 410 V HA -0.443 3.677 4.120 0.000 0.000 0.092 410 V C 2.266 178.249 176.094 -0.185 0.000 1.105 410 V CA 2.638 64.809 62.300 -0.214 0.000 3.165 410 V CB -1.586 30.161 31.823 -0.127 0.000 0.372 410 V HN 0.413 nan 8.190 nan 0.000 0.345 411 I N -0.173 120.326 120.570 -0.118 0.000 2.236 411 I HA -0.346 3.824 4.170 0.000 0.000 0.249 411 I C 2.420 178.481 176.117 -0.095 0.000 1.102 411 I CA 2.669 63.917 61.300 -0.086 0.000 1.365 411 I CB -0.590 37.373 38.000 -0.062 0.000 1.051 411 I HN 0.482 nan 8.210 nan 0.000 0.420 412 K N 1.202 121.531 120.400 -0.119 0.000 2.044 412 K HA -0.044 4.276 4.320 0.000 0.000 0.204 412 K C 2.373 178.873 176.600 -0.166 0.000 1.049 412 K CA 1.086 57.305 56.287 -0.113 0.000 0.945 412 K CB -0.144 32.292 32.500 -0.107 0.000 0.724 412 K HN 0.259 nan 8.250 nan 0.000 0.440 413 A N 1.360 123.996 122.820 -0.306 0.000 1.927 413 A HA -0.244 4.076 4.320 0.000 0.000 0.220 413 A C 2.322 179.697 177.584 -0.348 0.000 1.185 413 A CA 2.277 53.973 52.037 -0.569 0.000 0.639 413 A CB -0.997 17.383 19.000 -1.033 0.000 0.820 413 A HN 0.498 nan 8.150 nan 0.000 0.451 414 A N -0.700 121.991 122.820 -0.216 0.000 1.902 414 A HA 0.017 4.338 4.320 0.000 0.000 0.217 414 A C 2.392 180.028 177.584 0.087 0.000 1.181 414 A CA 3.062 55.079 52.037 -0.033 0.000 0.623 414 A CB -1.011 17.975 19.000 -0.024 0.000 0.818 414 A HN 0.808 nan 8.150 nan 0.000 0.443 415 K N 0.472 120.883 120.400 0.019 0.000 2.001 415 K HA -0.203 4.117 4.320 0.000 0.000 0.214 415 K C 2.083 178.731 176.600 0.080 0.000 1.050 415 K CA 2.323 58.635 56.287 0.042 0.000 0.934 415 K CB -0.950 31.549 32.500 -0.001 0.000 0.718 415 K HN 0.635 nan 8.250 nan 0.000 0.443 416 K N -1.064 119.375 120.400 0.065 0.000 2.228 416 K HA -0.183 4.137 4.320 0.000 0.000 0.205 416 K C 1.982 178.681 176.600 0.164 0.000 1.045 416 K CA 1.874 58.220 56.287 0.098 0.000 0.931 416 K CB -0.373 32.200 32.500 0.123 0.000 0.727 416 K HN 0.473 nan 8.250 nan 0.000 0.458 417 F N 0.762 120.780 119.950 0.114 0.000 2.084 417 F HA -0.156 4.371 4.527 0.000 0.000 0.296 417 F C 1.715 177.612 175.800 0.162 0.000 1.111 417 F CA 1.363 59.483 58.000 0.200 0.000 1.224 417 F CB -0.367 38.811 39.000 0.296 0.000 0.991 417 F HN -0.193 nan 8.300 nan 0.000 0.471 418 V N 0.453 120.436 119.914 0.114 0.000 2.720 418 V HA -0.246 3.874 4.120 0.000 0.000 0.256 418 V C 2.367 178.430 176.094 -0.051 0.000 1.082 418 V CA 1.797 64.085 62.300 -0.021 0.000 1.101 418 V CB -1.479 30.375 31.823 0.052 0.000 0.693 418 V HN 0.582 nan 8.190 nan 0.000 0.479 419 S N -0.141 115.544 115.700 -0.024 0.000 2.468 419 S HA 0.179 4.649 4.470 0.000 0.000 0.226 419 S C 1.499 176.085 174.600 -0.023 0.000 1.051 419 S CA 0.459 58.651 58.200 -0.013 0.000 0.943 419 S CB -0.361 62.841 63.200 0.005 0.000 0.810 419 S HN 0.650 nan 8.310 nan 0.000 0.509 420 R N 1.557 122.034 120.500 -0.037 0.000 2.863 420 R HA 0.398 4.738 4.340 0.000 0.000 0.273 420 R C 0.239 176.527 176.300 -0.020 0.000 1.057 420 R CA -0.008 56.072 56.100 -0.034 0.000 1.191 420 R CB -0.893 nan 30.300 nan 0.000 1.104 420 R HN 0.698 nan 8.270 nan 0.000 0.519 421 Q N 0.451 120.285 119.800 0.057 0.000 2.373 421 Q HA 0.222 4.562 4.340 0.000 0.000 0.255 421 Q C -0.843 175.249 176.000 0.153 0.000 0.980 421 Q CA 0.172 56.046 55.803 0.119 0.000 0.882 421 Q CB 0.521 29.376 28.738 0.195 0.000 1.249 421 Q HN 0.639 nan 8.270 nan 0.000 0.438 422 K N 1.379 121.828 120.400 0.081 0.000 2.221 422 K HA 0.413 4.733 4.320 0.000 0.000 0.258 422 K C -1.236 175.394 176.600 0.049 0.000 0.944 422 K CA -0.656 55.673 56.287 0.070 0.000 0.823 422 K CB 1.908 34.411 32.500 0.005 0.000 1.113 422 K HN 0.606 nan 8.250 nan 0.000 0.431 423 S N 2.901 118.637 115.700 0.060 0.000 2.552 423 S HA 0.526 4.996 4.470 0.000 0.000 0.314 423 S C -0.537 174.058 174.600 -0.009 0.000 1.099 423 S CA -0.954 57.239 58.200 -0.012 0.000 1.070 423 S CB 1.094 64.247 63.200 -0.078 0.000 0.998 423 S HN 0.682 nan 8.310 nan 0.000 0.474 424 M N 3.191 122.772 119.600 -0.032 0.000 2.598 424 M HA 0.797 5.277 4.480 0.000 0.000 0.317 424 M C -1.451 174.813 176.300 -0.059 0.000 1.179 424 M CA -0.686 54.576 55.300 -0.063 0.000 0.936 424 M CB 2.032 34.590 32.600 -0.071 0.000 1.713 424 M HN 0.951 nan 8.290 nan 0.000 0.460 425 A N 2.570 125.340 122.820 -0.083 0.000 2.449 425 A HA 0.946 5.266 4.320 0.000 0.000 0.302 425 A C -1.627 175.916 177.584 -0.067 0.000 1.048 425 A CA -0.475 51.522 52.037 -0.067 0.000 0.708 425 A CB 1.569 20.526 19.000 -0.072 0.000 1.274 425 A HN 1.073 nan 8.150 nan 0.000 0.410 426 A N 0.859 123.649 122.820 -0.050 0.000 2.520 426 A HA 0.843 5.163 4.320 0.000 0.000 0.298 426 A C -0.604 176.970 177.584 -0.018 0.000 1.051 426 A CA -0.410 51.607 52.037 -0.034 0.000 0.690 426 A CB 1.536 20.499 19.000 -0.062 0.000 1.281 426 A HN 1.164 nan 8.150 nan 0.000 0.402 427 S N 0.092 115.800 115.700 0.012 0.000 2.647 427 S HA 0.900 5.370 4.470 0.000 0.000 0.300 427 S C 0.150 174.770 174.600 0.032 0.000 1.129 427 S CA 0.133 58.333 58.200 0.001 0.000 1.029 427 S CB 1.507 64.676 63.200 -0.052 0.000 1.007 427 S HN 2.306 nan 8.310 nan 0.000 0.484 428 G N 2.431 111.245 108.800 0.023 0.000 2.332 428 G HA2 0.000 3.960 3.960 0.000 0.000 0.265 428 G HA3 0.000 3.960 3.960 0.000 0.000 0.265 428 G C 0.192 175.117 174.900 0.041 0.000 1.329 428 G CA -0.391 44.735 45.100 0.043 0.000 0.949 428 G HN 0.536 nan 8.290 nan 0.000 0.476 429 N N -0.501 118.237 118.700 0.063 0.000 2.188 429 N HA -0.054 4.686 4.740 0.000 0.000 0.184 429 N C 1.924 177.475 175.510 0.068 0.000 1.018 429 N CA 1.367 54.465 53.050 0.081 0.000 0.858 429 N CB -0.171 38.396 38.487 0.133 0.000 0.989 429 N HN 0.715 nan 8.380 nan 0.000 0.426 430 L N -1.385 119.878 121.223 0.066 0.000 4.999 430 L HA -0.306 4.034 4.340 0.000 0.000 0.449 430 L C 1.612 178.474 176.870 -0.013 0.000 1.079 430 L CA 0.680 55.522 54.840 0.004 0.000 0.950 430 L CB -1.942 40.077 42.059 -0.067 0.000 1.809 430 L HN 0.357 nan 8.230 nan 0.000 0.855 431 G N -0.988 107.820 108.800 0.014 0.000 2.499 431 G HA2 -0.224 3.736 3.960 0.000 0.000 0.221 431 G HA3 -0.224 3.736 3.960 0.000 0.000 0.221 431 G C 0.783 175.481 174.900 -0.337 0.000 1.109 431 G CA 1.500 46.492 45.100 -0.180 0.000 0.749 431 G HN 0.698 nan 8.290 nan 0.000 0.568 432 H N -1.294 117.756 119.070 -0.033 0.000 2.893 432 H HA 0.260 4.816 4.556 0.000 0.000 0.270 432 H C 0.343 175.642 175.328 -0.049 0.000 1.095 432 H CA -0.125 55.902 56.048 -0.034 0.000 1.186 432 H CB 0.261 30.004 29.762 -0.033 0.000 1.562 432 H HN 0.053 nan 8.280 nan 0.000 0.536 433 T N 5.116 119.685 114.554 0.025 0.000 2.780 433 T HA 0.207 4.557 4.350 0.000 0.000 0.294 433 T C -2.225 172.380 174.700 -0.160 0.000 0.949 433 T CA -1.317 60.751 62.100 -0.054 0.000 1.074 433 T CB 1.613 70.429 68.868 -0.087 0.000 0.910 433 T HN 0.157 nan 8.240 nan 0.000 0.501 434 P HA 0.363 nan 4.420 nan 0.000 0.276 434 P C -0.855 176.369 177.300 -0.126 0.000 1.252 434 P CA -0.554 62.522 63.100 -0.042 0.000 0.802 434 P CB 0.696 32.420 31.700 0.040 0.000 1.035 435 F N -1.172 118.767 119.950 -0.018 0.000 2.411 435 F HA 0.147 4.674 4.527 0.000 0.000 0.324 435 F C 2.054 177.828 175.800 -0.043 0.000 1.086 435 F CA -0.625 57.358 58.000 -0.027 0.000 1.028 435 F CB -0.193 38.794 39.000 -0.021 0.000 1.284 435 F HN 0.101 nan 8.300 nan 0.000 0.501 436 V N -1.217 118.793 119.914 0.160 0.000 2.343 436 V HA -0.241 3.879 4.120 0.000 0.000 0.247 436 V C 1.821 177.951 176.094 0.059 0.000 1.051 436 V CA 1.986 64.316 62.300 0.049 0.000 1.036 436 V CB -0.923 30.917 31.823 0.028 0.000 0.654 436 V HN 0.928 nan 8.190 nan 0.000 0.451 437 D N 0.977 121.421 120.400 0.072 0.000 2.389 437 D HA -0.251 4.389 4.640 0.000 0.000 0.221 437 D C 1.520 177.846 176.300 0.044 0.000 0.974 437 D CA 1.695 55.713 54.000 0.031 0.000 0.923 437 D CB -0.315 40.469 40.800 -0.025 0.000 0.892 437 D HN 0.779 nan 8.370 nan 0.000 0.518 438 E N -0.046 120.201 120.200 0.077 0.000 2.538 438 E HA 0.280 4.630 4.350 0.000 0.000 0.207 438 E C 0.384 177.027 176.600 0.073 0.000 1.002 438 E CA -0.441 56.007 56.400 0.079 0.000 0.952 438 E CB 0.792 30.561 29.700 0.115 0.000 1.031 438 E HN 0.159 nan 8.360 nan 0.000 0.476 439 L N 0.000 121.253 121.223 0.049 0.000 2.949 439 L HA 0.000 4.340 4.340 0.000 0.000 0.249 439 L CA 0.000 54.855 54.840 0.025 0.000 0.813 439 L CB 0.000 42.208 42.059 0.249 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502