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 2bgn_1_D DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.645 174.600 0.075 0.000 1.055 39 S CA 0.000 58.246 58.200 0.076 0.000 1.107 39 S CB 0.000 63.297 63.200 0.162 0.000 0.593 40 R N 1.052 121.606 120.500 0.090 0.000 2.138 40 R HA 0.566 4.906 4.340 0.000 0.000 0.129 40 R C -0.456 175.893 176.300 0.081 0.000 1.410 40 R CA -0.520 55.626 56.100 0.077 0.000 1.523 40 R CB -0.110 30.235 30.300 0.074 0.000 1.468 40 R HN 0.612 nan 8.270 nan 0.000 0.550 41 K N 0.140 120.591 120.400 0.086 0.000 2.295 41 K HA 0.495 4.815 4.320 0.000 0.000 0.239 41 K C -0.762 175.901 176.600 0.104 0.000 0.991 41 K CA -0.932 55.412 56.287 0.095 0.000 0.845 41 K CB 1.766 34.327 32.500 0.102 0.000 1.197 41 K HN 0.517 nan 8.250 nan 0.000 0.441 42 T N -2.467 112.156 114.554 0.116 0.000 2.923 42 T HA 0.204 4.554 4.350 0.000 0.000 0.281 42 T C -0.707 174.114 174.700 0.202 0.000 0.995 42 T CA -0.722 61.459 62.100 0.134 0.000 0.985 42 T CB 0.457 69.394 68.868 0.115 0.000 1.114 42 T HN 0.516 nan 8.240 nan 0.000 0.548 43 Y N 2.571 122.929 120.300 0.096 0.000 2.539 43 Y HA 0.361 4.911 4.550 0.000 0.000 0.352 43 Y C 0.998 177.058 175.900 0.267 0.000 1.004 43 Y CA -0.271 57.928 58.100 0.166 0.000 1.278 43 Y CB -0.290 38.225 38.460 0.092 0.000 1.136 43 Y HN 0.992 nan 8.280 nan 0.000 0.528 44 T N 2.244 116.829 114.554 0.051 0.000 2.862 44 T HA 0.136 4.486 4.350 0.000 0.000 0.276 44 T C 0.958 175.667 174.700 0.014 0.000 0.974 44 T CA -0.819 61.382 62.100 0.168 0.000 0.966 44 T CB 1.220 70.139 68.868 0.084 0.000 1.072 44 T HN 0.631 nan 8.240 nan 0.000 0.538 45 L N 0.994 122.112 121.223 -0.175 0.000 2.083 45 L HA 0.018 4.358 4.340 0.000 0.000 0.209 45 L C 2.616 179.383 176.870 -0.172 0.000 1.083 45 L CA 2.108 56.663 54.840 -0.475 0.000 0.752 45 L CB -1.546 40.133 42.059 -0.633 0.000 0.899 45 L HN 0.965 nan 8.230 nan 0.000 0.433 46 T N -0.662 113.816 114.554 -0.127 0.000 2.821 46 T HA -0.143 4.207 4.350 0.000 0.000 0.267 46 T C 1.448 176.074 174.700 -0.123 0.000 1.046 46 T CA 1.321 63.358 62.100 -0.105 0.000 1.139 46 T CB -0.334 68.490 68.868 -0.074 0.000 0.871 46 T HN 0.379 nan 8.240 nan 0.000 0.454 47 D N 0.143 120.437 120.400 -0.177 0.000 2.149 47 D HA -0.101 4.539 4.640 0.000 0.000 0.198 47 D C 1.662 177.865 176.300 -0.161 0.000 0.990 47 D CA 1.023 54.866 54.000 -0.262 0.000 0.839 47 D CB -0.247 40.266 40.800 -0.478 0.000 0.948 47 D HN 0.413 nan 8.370 nan 0.000 0.460 48 Y N 1.264 121.409 120.300 -0.257 0.000 2.153 48 Y HA -0.011 4.539 4.550 0.000 0.000 0.289 48 Y C 2.191 178.102 175.900 0.018 0.000 1.119 48 Y CA 1.031 59.137 58.100 0.011 0.000 1.116 48 Y CB -0.686 37.839 38.460 0.109 0.000 1.004 48 Y HN -0.134 nan 8.280 nan 0.000 0.501 49 L N 0.018 121.091 121.223 -0.250 0.000 2.056 49 L HA -0.167 4.173 4.340 0.000 0.000 0.207 49 L C 2.251 179.026 176.870 -0.159 0.000 1.078 49 L CA 1.373 56.009 54.840 -0.339 0.000 0.749 49 L CB -0.491 41.416 42.059 -0.253 0.000 0.901 49 L HN 0.058 nan 8.230 nan 0.000 0.433 50 K N -0.022 120.312 120.400 -0.109 0.000 2.400 50 K HA -0.020 4.300 4.320 0.000 0.000 0.194 50 K C 0.352 176.916 176.600 -0.060 0.000 1.033 50 K CA 0.146 56.388 56.287 -0.075 0.000 1.021 50 K CB -0.346 32.109 32.500 -0.075 0.000 0.808 50 K HN 0.358 nan 8.250 nan 0.000 0.505 51 N N 1.264 119.938 118.700 -0.043 0.000 2.780 51 N HA -0.183 4.557 4.740 0.000 0.000 0.247 51 N C 0.415 175.913 175.510 -0.020 0.000 1.076 51 N CA 0.463 53.523 53.050 0.017 0.000 0.688 51 N CB -0.760 37.739 38.487 0.020 0.000 0.957 51 N HN 0.285 nan 8.380 nan 0.000 0.551 52 T N -2.738 111.742 114.554 -0.124 0.000 2.951 52 T HA -0.093 4.257 4.350 0.000 0.000 0.268 52 T C 0.561 175.024 174.700 -0.394 0.000 1.073 52 T CA 1.049 62.965 62.100 -0.307 0.000 1.134 52 T CB -0.183 68.402 68.868 -0.470 0.000 0.884 52 T HN 0.359 nan 8.240 nan 0.000 0.479 53 Y N 1.889 122.271 120.300 0.136 0.000 2.593 53 Y HA 0.565 5.115 4.550 0.000 0.000 0.331 53 Y C 0.533 176.538 175.900 0.175 0.000 0.986 53 Y CA -1.634 56.573 58.100 0.179 0.000 1.262 53 Y CB 0.488 39.112 38.460 0.274 0.000 1.098 53 Y HN 0.013 nan 8.280 nan 0.000 0.506 54 R N 3.005 123.643 120.500 0.230 0.000 2.308 54 R HA 0.504 4.844 4.340 0.000 0.000 0.305 54 R C -0.909 175.506 176.300 0.190 0.000 1.053 54 R CA -0.447 55.760 56.100 0.178 0.000 0.957 54 R CB 0.606 30.973 30.300 0.111 0.000 1.022 54 R HN 0.670 nan 8.270 nan 0.000 0.461 55 L N 4.190 125.525 121.223 0.187 0.000 2.371 55 L HA 0.306 4.646 4.340 0.000 0.000 0.272 55 L C 0.366 177.325 176.870 0.149 0.000 1.124 55 L CA -0.125 54.824 54.840 0.181 0.000 0.816 55 L CB 1.076 43.257 42.059 0.204 0.000 1.129 55 L HN 0.478 nan 8.230 nan 0.000 0.448 56 K N 3.583 124.071 120.400 0.147 0.000 2.110 56 K HA 0.635 4.955 4.320 0.000 0.000 0.263 56 K C -0.693 175.981 176.600 0.124 0.000 0.975 56 K CA -0.617 55.740 56.287 0.117 0.000 0.895 56 K CB 1.855 34.415 32.500 0.101 0.000 1.060 56 K HN 0.412 nan 8.250 nan 0.000 0.448 57 L N 0.730 121.967 121.223 0.023 0.000 2.267 57 L HA 0.483 4.823 4.340 0.000 0.000 0.264 57 L C -0.787 175.851 176.870 -0.386 0.000 1.021 57 L CA -1.037 53.725 54.840 -0.130 0.000 0.861 57 L CB 0.731 42.786 42.059 -0.007 0.000 1.443 57 L HN 0.552 nan 8.230 nan 0.000 0.475 58 Y N 0.083 119.890 120.300 -0.821 0.000 2.516 58 Y HA 0.275 4.825 4.550 0.000 0.000 0.329 58 Y C -0.671 174.991 175.900 -0.397 0.000 1.095 58 Y CA -0.510 57.189 58.100 -0.669 0.000 1.213 58 Y CB 1.112 38.985 38.460 -0.979 0.000 1.109 58 Y HN 0.401 nan 8.280 nan 0.000 0.630 59 S N 5.152 120.709 115.700 -0.238 0.000 2.414 59 S HA 0.406 4.876 4.470 0.000 0.000 0.290 59 S C -0.454 174.044 174.600 -0.170 0.000 1.160 59 S CA -0.422 57.702 58.200 -0.126 0.000 1.069 59 S CB -0.421 62.759 63.200 -0.035 0.000 1.012 59 S HN 0.541 nan 8.310 nan 0.000 0.510 60 L N 1.273 122.330 121.223 -0.277 0.000 2.330 60 L HA 0.800 5.140 4.340 0.000 0.000 0.271 60 L C -0.126 176.596 176.870 -0.248 0.000 1.013 60 L CA -0.785 53.834 54.840 -0.369 0.000 0.816 60 L CB 0.893 42.389 42.059 -0.940 0.000 1.287 60 L HN 0.239 nan 8.230 nan 0.000 0.435 61 R N 1.817 122.233 120.500 -0.139 0.000 2.422 61 R HA 0.300 4.641 4.340 0.000 0.000 0.307 61 R C -1.749 174.563 176.300 0.021 0.000 1.004 61 R CA -0.562 55.534 56.100 -0.006 0.000 0.882 61 R CB 0.780 31.153 30.300 0.121 0.000 1.164 61 R HN 0.874 nan 8.270 nan 0.000 0.489 62 W N 5.097 126.471 121.300 0.123 0.000 2.264 62 W HA 0.048 4.708 4.660 0.000 0.000 0.331 62 W C 1.825 178.400 176.519 0.094 0.000 1.364 62 W CA -0.232 57.194 57.345 0.135 0.000 1.253 62 W CB 0.518 30.056 29.460 0.129 0.000 1.215 62 W HN 0.620 nan 8.180 nan 0.000 0.561 63 I N 0.157 120.924 120.570 0.329 0.000 4.323 63 I HA 0.269 4.439 4.170 0.000 0.000 0.328 63 I C 0.775 176.957 176.117 0.109 0.000 1.310 63 I CA 0.101 61.492 61.300 0.152 0.000 1.186 63 I CB 0.161 38.172 38.000 0.018 0.000 1.130 63 I HN 0.246 nan 8.210 nan 0.000 0.411 64 S N -0.653 115.128 115.700 0.135 0.000 2.880 64 S HA 0.344 4.814 4.470 0.000 0.000 0.308 64 S C 0.241 174.840 174.600 -0.002 0.000 1.195 64 S CA -0.140 58.056 58.200 -0.006 0.000 0.866 64 S CB 1.041 64.121 63.200 -0.200 0.000 1.254 64 S HN 0.065 nan 8.310 nan 0.000 0.571 65 D N 0.445 120.784 120.400 -0.102 0.000 2.178 65 D HA -0.026 4.614 4.640 0.000 0.000 0.201 65 D C 1.180 177.572 176.300 0.152 0.000 0.980 65 D CA 2.166 56.178 54.000 0.019 0.000 0.842 65 D CB -0.190 40.685 40.800 0.124 0.000 0.948 65 D HN 0.812 nan 8.370 nan 0.000 0.472 66 H N -3.127 116.067 119.070 0.206 0.000 3.367 66 H HA 0.539 5.095 4.556 0.000 0.000 0.257 66 H C -0.288 175.128 175.328 0.147 0.000 1.201 66 H CA -0.584 55.542 56.048 0.130 0.000 1.102 66 H CB 0.021 29.854 29.762 0.118 0.000 1.656 66 H HN -0.130 nan 8.280 nan 0.000 0.662 67 E N 0.850 121.161 120.200 0.184 0.000 2.288 67 E HA 0.429 4.779 4.350 0.000 0.000 0.268 67 E C -1.516 175.258 176.600 0.290 0.000 0.885 67 E CA -1.414 55.085 56.400 0.166 0.000 0.767 67 E CB 2.495 32.218 29.700 0.038 0.000 1.220 67 E HN 0.340 nan 8.360 nan 0.000 0.427 68 Y N -0.083 120.225 120.300 0.014 0.000 2.644 68 Y HA 0.674 5.224 4.550 0.000 0.000 0.338 68 Y C -1.770 174.061 175.900 -0.115 0.000 1.119 68 Y CA -1.315 56.681 58.100 -0.173 0.000 1.060 68 Y CB 0.826 38.857 38.460 -0.715 0.000 1.294 68 Y HN 0.315 nan 8.280 nan 0.000 0.472 69 L N 2.517 123.823 121.223 0.138 0.000 2.334 69 L HA 0.567 4.907 4.340 0.000 0.000 0.273 69 L C -1.440 175.557 176.870 0.211 0.000 1.013 69 L CA -1.088 53.798 54.840 0.075 0.000 0.816 69 L CB 1.913 43.932 42.059 -0.066 0.000 1.278 69 L HN 0.774 nan 8.230 nan 0.000 0.431 70 Y N 2.732 123.030 120.300 -0.002 0.000 2.441 70 Y HA 0.353 4.903 4.550 0.000 0.000 0.334 70 Y C -1.067 174.794 175.900 -0.064 0.000 1.061 70 Y CA -1.253 56.772 58.100 -0.125 0.000 1.032 70 Y CB 1.573 39.840 38.460 -0.323 0.000 1.266 70 Y HN 0.392 nan 8.280 nan 0.000 0.441 71 K N 5.730 125.763 120.400 -0.612 0.000 2.234 71 K HA 0.355 4.676 4.320 0.000 0.000 0.277 71 K C -1.441 174.685 176.600 -0.789 0.000 1.038 71 K CA -0.324 55.671 56.287 -0.486 0.000 0.888 71 K CB 1.067 33.453 32.500 -0.191 0.000 1.091 71 K HN 0.964 nan 8.250 nan 0.000 0.467 72 Q N 1.886 121.404 119.800 -0.470 0.000 2.331 72 Q HA 0.272 4.612 4.340 0.000 0.000 0.272 72 Q C -0.646 175.274 176.000 -0.134 0.000 1.062 72 Q CA -0.633 54.979 55.803 -0.319 0.000 0.806 72 Q CB 1.604 30.220 28.738 -0.203 0.000 1.312 72 Q HN 0.659 nan 8.270 nan 0.000 0.431 73 E N 1.639 121.786 120.200 -0.089 0.000 2.604 73 E HA -0.389 3.961 4.350 0.000 0.000 0.255 73 E C -0.663 175.907 176.600 -0.050 0.000 1.164 73 E CA 0.936 57.307 56.400 -0.049 0.000 0.737 73 E CB -0.953 28.733 29.700 -0.023 0.000 1.317 73 E HN 0.891 nan 8.360 nan 0.000 0.417 74 N N -1.300 117.358 118.700 -0.070 0.000 2.869 74 N HA -0.170 4.570 4.740 0.000 0.000 0.249 74 N C -1.370 174.110 175.510 -0.050 0.000 1.104 74 N CA 1.397 54.416 53.050 -0.052 0.000 0.760 74 N CB -1.504 36.965 38.487 -0.030 0.000 1.108 74 N HN 0.359 nan 8.380 nan 0.000 0.555 75 N N 0.879 119.537 118.700 -0.069 0.000 2.354 75 N HA 0.480 5.220 4.740 0.000 0.000 0.287 75 N C 0.192 175.657 175.510 -0.075 0.000 1.016 75 N CA -0.675 52.342 53.050 -0.055 0.000 0.871 75 N CB 1.396 39.862 38.487 -0.035 0.000 1.299 75 N HN 0.186 nan 8.380 nan 0.000 0.482 76 I N 0.216 120.745 120.570 -0.068 0.000 2.379 76 I HA 0.349 4.519 4.170 0.000 0.000 0.290 76 I C -0.751 175.394 176.117 0.048 0.000 1.063 76 I CA -0.332 60.923 61.300 -0.075 0.000 1.351 76 I CB 0.051 37.939 38.000 -0.186 0.000 1.410 76 I HN 0.215 nan 8.210 nan 0.000 0.505 77 L N 6.647 127.916 121.223 0.076 0.000 2.322 77 L HA 0.668 5.008 4.340 0.000 0.000 0.269 77 L C -0.177 176.783 176.870 0.150 0.000 1.012 77 L CA -1.140 53.782 54.840 0.137 0.000 0.815 77 L CB 2.108 44.291 42.059 0.207 0.000 1.295 77 L HN 0.518 nan 8.230 nan 0.000 0.438 78 V N 1.730 121.683 119.914 0.064 0.000 2.459 78 V HA 0.517 4.637 4.120 0.000 0.000 0.295 78 V C -0.941 175.113 176.094 -0.068 0.000 1.029 78 V CA -0.187 62.104 62.300 -0.015 0.000 0.874 78 V CB 1.324 33.096 31.823 -0.086 0.000 0.985 78 V HN 0.497 nan 8.190 nan 0.000 0.438 79 F N 4.990 124.657 119.950 -0.472 0.000 2.458 79 F HA 0.489 5.016 4.527 0.000 0.000 0.330 79 F C 0.634 176.175 175.800 -0.431 0.000 1.082 79 F CA -0.612 57.066 58.000 -0.538 0.000 0.995 79 F CB 1.680 40.072 39.000 -1.013 0.000 1.170 79 F HN 0.490 nan 8.300 nan 0.000 0.478 80 N N 2.113 120.766 118.700 -0.079 0.000 2.420 80 N HA 0.198 4.938 4.740 0.000 0.000 0.249 80 N C 0.556 176.040 175.510 -0.044 0.000 1.033 80 N CA 0.114 53.161 53.050 -0.005 0.000 0.944 80 N CB 1.657 40.193 38.487 0.081 0.000 1.113 80 N HN 0.844 nan 8.380 nan 0.000 0.502 81 A N 3.859 126.616 122.820 -0.105 0.000 1.892 81 A HA -0.228 4.092 4.320 0.000 0.000 0.218 81 A C 1.935 179.317 177.584 -0.336 0.000 1.188 81 A CA 1.723 53.611 52.037 -0.247 0.000 0.631 81 A CB -0.436 18.137 19.000 -0.713 0.000 0.822 81 A HN 0.756 nan 8.150 nan 0.000 0.447 82 E N -0.857 119.090 120.200 -0.421 0.000 2.017 82 E HA -0.158 4.192 4.350 0.000 0.000 0.193 82 E C 1.657 177.998 176.600 -0.432 0.000 0.997 82 E CA 1.939 58.065 56.400 -0.456 0.000 0.804 82 E CB -0.451 28.759 29.700 -0.817 0.000 0.757 82 E HN 0.750 nan 8.360 nan 0.000 0.448 83 Y N -1.799 118.506 120.300 0.009 0.000 2.503 83 Y HA 0.266 4.816 4.550 0.000 0.000 0.278 83 Y C 1.739 177.642 175.900 0.005 0.000 1.111 83 Y CA 0.196 58.298 58.100 0.004 0.000 1.270 83 Y CB 0.608 39.061 38.460 -0.012 0.000 1.063 83 Y HN 0.277 nan 8.280 nan 0.000 0.548 84 G N 0.790 109.661 108.800 0.118 0.000 2.199 84 G HA2 -0.333 3.627 3.960 0.000 0.000 0.254 84 G HA3 -0.333 3.627 3.960 0.000 0.000 0.254 84 G C 0.089 175.014 174.900 0.042 0.000 0.982 84 G CA 0.208 45.385 45.100 0.129 0.000 0.632 84 G HN 0.463 nan 8.290 nan 0.000 0.529 85 N N 0.722 119.426 118.700 0.007 0.000 2.444 85 N HA 0.486 5.226 4.740 0.000 0.000 0.255 85 N C -0.095 175.241 175.510 -0.290 0.000 1.255 85 N CA 0.812 53.796 53.050 -0.110 0.000 0.933 85 N CB 1.300 39.755 38.487 -0.054 0.000 1.143 85 N HN 1.067 nan 8.380 nan 0.000 0.453 86 S N -0.973 114.488 115.700 -0.398 0.000 2.546 86 S HA 0.477 4.947 4.470 0.000 0.000 0.272 86 S C -1.002 173.414 174.600 -0.307 0.000 1.140 86 S CA -0.957 56.903 58.200 -0.567 0.000 0.920 86 S CB 1.134 63.555 63.200 -1.298 0.000 1.083 86 S HN 0.535 nan 8.310 nan 0.000 0.476 87 S N 1.431 117.013 115.700 -0.197 0.000 2.617 87 S HA 0.575 5.045 4.470 0.000 0.000 0.283 87 S C -0.088 174.486 174.600 -0.043 0.000 1.189 87 S CA -0.700 57.447 58.200 -0.089 0.000 1.036 87 S CB 1.322 64.507 63.200 -0.025 0.000 1.014 87 S HN 0.717 nan 8.310 nan 0.000 0.522 88 V N 3.643 123.544 119.914 -0.022 0.000 2.479 88 V HA 0.099 4.219 4.120 0.000 0.000 0.281 88 V C 0.461 176.595 176.094 0.067 0.000 1.031 88 V CA 0.384 62.691 62.300 0.011 0.000 1.038 88 V CB 0.174 31.984 31.823 -0.023 0.000 0.981 88 V HN 0.968 nan 8.190 nan 0.000 0.478 89 F N 5.303 125.216 119.950 -0.061 0.000 2.317 89 F HA 0.434 4.961 4.527 0.000 0.000 0.290 89 F C 0.489 176.253 175.800 -0.059 0.000 1.075 89 F CA 0.495 58.460 58.000 -0.057 0.000 1.380 89 F CB 0.619 39.582 39.000 -0.061 0.000 1.093 89 F HN 0.365 nan 8.300 nan 0.000 0.524 90 L N 0.563 121.759 121.223 -0.045 0.000 2.592 90 L HA 0.309 4.649 4.340 0.000 0.000 0.258 90 L C -1.526 175.303 176.870 -0.068 0.000 0.926 90 L CA -0.569 54.193 54.840 -0.131 0.000 0.885 90 L CB 1.815 43.797 42.059 -0.129 0.000 1.380 90 L HN -0.053 nan 8.230 nan 0.000 0.415 91 E N 1.921 122.063 120.200 -0.097 0.000 2.248 91 E HA 0.254 4.604 4.350 0.000 0.000 0.272 91 E C -0.112 176.455 176.600 -0.055 0.000 1.008 91 E CA -0.663 55.694 56.400 -0.072 0.000 0.856 91 E CB 0.833 30.483 29.700 -0.084 0.000 1.120 91 E HN 0.675 nan 8.360 nan 0.000 0.397 92 N N 0.839 119.519 118.700 -0.033 0.000 2.443 92 N HA -0.160 4.580 4.740 0.000 0.000 0.184 92 N C 1.125 176.623 175.510 -0.020 0.000 1.037 92 N CA 0.995 54.039 53.050 -0.009 0.000 0.896 92 N CB -0.408 38.072 38.487 -0.011 0.000 0.959 92 N HN 0.251 nan 8.380 nan 0.000 0.442 93 S N 0.490 116.157 115.700 -0.055 0.000 2.348 93 S HA -0.154 4.316 4.470 0.000 0.000 0.221 93 S C 1.879 176.404 174.600 -0.125 0.000 1.033 93 S CA 1.685 59.843 58.200 -0.071 0.000 1.010 93 S CB -1.199 61.953 63.200 -0.079 0.000 0.891 93 S HN 0.418 nan 8.310 nan 0.000 0.442 94 T N 1.927 116.341 114.554 -0.232 0.000 2.624 94 T HA -0.180 4.170 4.350 0.000 0.000 0.266 94 T C 0.838 175.178 174.700 -0.601 0.000 1.050 94 T CA 1.700 63.492 62.100 -0.512 0.000 1.163 94 T CB -0.572 67.788 68.868 -0.847 0.000 0.861 94 T HN 0.436 nan 8.240 nan 0.000 0.443 95 F N 1.038 120.946 119.950 -0.071 0.000 2.730 95 F HA 0.315 4.842 4.527 0.000 0.000 0.295 95 F C 1.242 177.055 175.800 0.022 0.000 1.143 95 F CA -1.044 56.944 58.000 -0.020 0.000 1.367 95 F CB -0.120 38.805 39.000 -0.126 0.000 0.970 95 F HN -0.026 nan 8.300 nan 0.000 0.514 96 D N 0.669 121.126 120.400 0.094 0.000 2.084 96 D HA -0.136 4.504 4.640 0.000 0.000 0.194 96 D C 0.692 177.040 176.300 0.081 0.000 0.990 96 D CA 1.409 55.450 54.000 0.067 0.000 0.826 96 D CB -0.021 40.788 40.800 0.016 0.000 0.971 96 D HN 0.268 nan 8.370 nan 0.000 0.453 97 E N -0.464 119.779 120.200 0.072 0.000 2.282 97 E HA 0.157 4.507 4.350 0.000 0.000 0.247 97 E C 0.042 176.714 176.600 0.120 0.000 1.113 97 E CA -0.306 56.127 56.400 0.054 0.000 1.095 97 E CB -0.103 29.599 29.700 0.005 0.000 1.328 97 E HN 0.139 nan 8.360 nan 0.000 0.463 98 F N 0.434 120.402 119.950 0.030 0.000 2.446 98 F HA 0.202 4.729 4.527 0.000 0.000 0.292 98 F C 1.744 177.471 175.800 -0.122 0.000 1.096 98 F CA 1.335 59.363 58.000 0.047 0.000 1.438 98 F CB 0.548 39.610 39.000 0.104 0.000 1.107 98 F HN 0.457 nan 8.300 nan 0.000 0.546 99 G N -0.700 108.016 108.800 -0.139 0.000 2.345 99 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 99 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 99 G C 0.208 174.832 174.900 -0.461 0.000 1.058 99 G CA 0.160 45.010 45.100 -0.416 0.000 0.632 99 G HN 0.460 nan 8.290 nan 0.000 0.508 100 H N 0.391 119.490 119.070 0.049 0.000 2.616 100 H HA 0.670 5.226 4.556 0.000 0.000 0.353 100 H C -0.184 175.204 175.328 0.101 0.000 1.170 100 H CA 0.129 56.202 56.048 0.040 0.000 1.212 100 H CB 1.580 31.221 29.762 -0.201 0.000 1.653 100 H HN 0.210 nan 8.280 nan 0.000 0.537 101 S N 1.674 117.483 115.700 0.182 0.000 2.455 101 S HA 0.206 4.676 4.470 0.000 0.000 0.278 101 S C 0.074 174.700 174.600 0.043 0.000 1.216 101 S CA -0.715 57.536 58.200 0.085 0.000 1.055 101 S CB -1.026 62.215 63.200 0.068 0.000 0.939 101 S HN 0.325 nan 8.310 nan 0.000 0.494 102 I N 6.059 126.586 120.570 -0.071 0.000 2.416 102 I HA 0.190 4.360 4.170 0.000 0.000 0.288 102 I C 1.712 177.762 176.117 -0.112 0.000 1.051 102 I CA -0.037 61.161 61.300 -0.169 0.000 1.375 102 I CB 0.700 38.471 38.000 -0.381 0.000 1.407 102 I HN 0.743 nan 8.210 nan 0.000 0.516 103 N N 3.502 122.142 118.700 -0.099 0.000 2.387 103 N HA -0.028 4.712 4.740 0.000 0.000 0.176 103 N C -0.210 175.210 175.510 -0.151 0.000 1.022 103 N CA 0.597 53.570 53.050 -0.129 0.000 0.883 103 N CB 0.566 38.974 38.487 -0.130 0.000 1.019 103 N HN 0.673 nan 8.380 nan 0.000 0.435 104 D N -1.092 119.228 120.400 -0.134 0.000 2.745 104 D HA 0.115 4.755 4.640 0.000 0.000 0.221 104 D C -1.159 175.094 176.300 -0.077 0.000 1.237 104 D CA -0.523 53.391 54.000 -0.144 0.000 0.781 104 D CB 0.809 41.514 40.800 -0.159 0.000 1.575 104 D HN 0.166 nan 8.370 nan 0.000 0.482 105 Y N 0.469 120.746 120.300 -0.038 0.000 2.418 105 Y HA 0.775 5.325 4.550 0.000 0.000 0.327 105 Y C -0.049 175.911 175.900 0.101 0.000 1.309 105 Y CA -0.777 57.324 58.100 0.001 0.000 1.423 105 Y CB 1.101 39.559 38.460 -0.003 0.000 1.423 105 Y HN 0.201 nan 8.280 nan 0.000 0.532 106 S N 0.881 116.867 115.700 0.476 0.000 2.546 106 S HA 0.386 4.856 4.470 0.000 0.000 0.303 106 S C -1.760 173.195 174.600 0.590 0.000 1.067 106 S CA -0.710 57.774 58.200 0.473 0.000 0.944 106 S CB -0.268 63.151 63.200 0.364 0.000 1.155 106 S HN 0.717 nan 8.310 nan 0.000 0.449 107 I N 4.605 125.419 120.570 0.408 0.000 2.339 107 I HA 0.345 4.515 4.170 0.000 0.000 0.290 107 I C 0.903 176.860 176.117 -0.266 0.000 0.994 107 I CA -0.702 60.698 61.300 0.165 0.000 1.191 107 I CB 1.886 39.977 38.000 0.152 0.000 1.343 107 I HN 0.806 nan 8.210 nan 0.000 0.458 108 S N 6.363 121.547 115.700 -0.860 0.000 2.573 108 S HA 0.058 4.528 4.470 0.000 0.000 0.297 108 S C -1.719 172.585 174.600 -0.494 0.000 1.280 108 S CA -0.729 56.633 58.200 -1.398 0.000 1.061 108 S CB 0.546 62.850 63.200 -1.495 0.000 0.812 108 S HN 0.431 nan 8.310 nan 0.000 0.500 109 P HA -0.188 nan 4.420 nan 0.000 0.216 109 P C 0.873 178.120 177.300 -0.089 0.000 1.157 109 P CA 1.838 64.856 63.100 -0.137 0.000 0.880 109 P CB -0.185 31.454 31.700 -0.102 0.000 0.791 110 D N -1.666 118.684 120.400 -0.083 0.000 2.332 110 D HA 0.043 4.683 4.640 0.000 0.000 0.244 110 D C 1.409 177.724 176.300 0.025 0.000 1.136 110 D CA 0.607 54.604 54.000 -0.005 0.000 0.884 110 D CB -1.324 39.501 40.800 0.041 0.000 0.906 110 D HN 0.262 nan 8.370 nan 0.000 0.520 111 G N 0.321 109.123 108.800 0.003 0.000 2.238 111 G HA2 -0.464 3.496 3.960 0.000 0.000 0.270 111 G HA3 -0.464 3.496 3.960 0.000 0.000 0.270 111 G C 1.083 176.036 174.900 0.089 0.000 0.977 111 G CA 0.789 45.944 45.100 0.092 0.000 0.639 111 G HN 0.492 nan 8.290 nan 0.000 0.544 112 Q N -1.403 118.401 119.800 0.007 0.000 2.187 112 Q HA 0.337 4.677 4.340 0.000 0.000 0.199 112 Q C 0.449 176.154 176.000 -0.491 0.000 0.957 112 Q CA 0.682 56.355 55.803 -0.217 0.000 0.857 112 Q CB 0.203 28.807 28.738 -0.223 0.000 0.929 112 Q HN 0.594 nan 8.270 nan 0.000 0.453 113 F N -0.736 119.197 119.950 -0.028 0.000 2.611 113 F HA 0.516 5.043 4.527 0.000 0.000 0.324 113 F C -0.368 175.521 175.800 0.150 0.000 1.061 113 F CA -1.144 56.904 58.000 0.079 0.000 0.954 113 F CB 1.778 40.857 39.000 0.131 0.000 1.301 113 F HN -0.189 nan 8.300 nan 0.000 0.482 114 I N 2.974 123.879 120.570 0.557 0.000 2.569 114 I HA 0.414 4.584 4.170 0.000 0.000 0.290 114 I C -1.983 174.465 176.117 0.553 0.000 1.088 114 I CA -0.826 60.773 61.300 0.498 0.000 1.047 114 I CB 1.913 40.132 38.000 0.365 0.000 1.237 114 I HN 0.500 nan 8.210 nan 0.000 0.421 115 L N 8.268 129.830 121.223 0.566 0.000 2.309 115 L HA 0.579 4.919 4.340 0.000 0.000 0.282 115 L C -1.415 175.601 176.870 0.244 0.000 1.036 115 L CA -0.203 54.882 54.840 0.407 0.000 0.806 115 L CB 1.380 43.644 42.059 0.342 0.000 1.220 115 L HN 0.461 nan 8.230 nan 0.000 0.429 116 L N 4.594 125.914 121.223 0.162 0.000 2.356 116 L HA 0.540 4.880 4.340 0.000 0.000 0.277 116 L C -0.446 176.422 176.870 -0.002 0.000 0.996 116 L CA -0.497 54.332 54.840 -0.018 0.000 0.822 116 L CB 1.788 43.682 42.059 -0.274 0.000 1.256 116 L HN 0.599 nan 8.230 nan 0.000 0.413 117 E N 3.450 123.584 120.200 -0.111 0.000 2.134 117 E HA 0.450 4.800 4.350 0.000 0.000 0.278 117 E C -1.605 174.890 176.600 -0.175 0.000 0.959 117 E CA -0.521 55.670 56.400 -0.348 0.000 0.783 117 E CB 1.057 30.620 29.700 -0.229 0.000 1.095 117 E HN 0.449 nan 8.360 nan 0.000 0.399 118 Y N 1.746 121.846 120.300 -0.335 0.000 2.669 118 Y HA 0.473 5.023 4.550 0.000 0.000 0.335 118 Y C -0.011 175.793 175.900 -0.159 0.000 1.116 118 Y CA -1.568 56.424 58.100 -0.180 0.000 1.081 118 Y CB 0.598 39.009 38.460 -0.083 0.000 1.297 118 Y HN 0.476 nan 8.280 nan 0.000 0.484 119 N N -0.610 118.132 118.700 0.070 0.000 2.725 119 N HA -0.306 4.434 4.740 0.000 0.000 0.249 119 N C -0.928 174.571 175.510 -0.020 0.000 1.103 119 N CA 0.971 54.023 53.050 0.004 0.000 0.707 119 N CB -1.753 36.675 38.487 -0.098 0.000 1.043 119 N HN 0.890 nan 8.380 nan 0.000 0.553 120 Y N 0.379 120.608 120.300 -0.118 0.000 2.717 120 Y HA 0.200 4.750 4.550 0.000 0.000 0.330 120 Y C 0.188 176.050 175.900 -0.064 0.000 1.217 120 Y CA 0.188 58.211 58.100 -0.129 0.000 1.506 120 Y CB 0.647 38.980 38.460 -0.211 0.000 1.268 120 Y HN -0.008 nan 8.280 nan 0.000 0.561 121 V N 7.711 127.351 119.914 -0.456 0.000 2.488 121 V HA 0.192 4.312 4.120 0.000 0.000 0.293 121 V C -0.338 175.482 176.094 -0.456 0.000 1.027 121 V CA -1.486 60.643 62.300 -0.285 0.000 0.862 121 V CB 1.320 33.059 31.823 -0.140 0.000 1.008 121 V HN 0.743 nan 8.190 nan 0.000 0.428 122 K N 3.302 123.508 120.400 -0.323 0.000 2.355 122 K HA 0.238 4.558 4.320 0.000 0.000 0.270 122 K C 0.363 176.850 176.600 -0.189 0.000 1.003 122 K CA 0.188 56.359 56.287 -0.194 0.000 0.957 122 K CB 1.285 33.850 32.500 0.108 0.000 0.939 122 K HN 0.836 nan 8.250 nan 0.000 0.482 123 Q N 2.615 122.275 119.800 -0.234 0.000 2.729 123 Q HA 0.175 4.515 4.340 0.000 0.000 0.228 123 Q C -0.093 175.712 176.000 -0.325 0.000 1.021 123 Q CA -0.341 55.155 55.803 -0.512 0.000 0.561 123 Q CB 0.151 28.416 28.738 -0.787 0.000 3.921 123 Q HN 0.702 nan 8.270 nan 0.000 0.430 124 W N -0.021 121.276 121.300 -0.005 0.000 2.240 124 W HA 0.347 5.007 4.660 0.000 0.000 0.576 124 W C 1.673 178.175 176.519 -0.029 0.000 1.811 124 W CA -0.727 56.641 57.345 0.038 0.000 1.962 124 W CB -0.109 29.360 29.460 0.015 0.000 2.620 124 W HN 0.347 nan 8.180 nan 0.000 0.753 125 R N -0.305 120.298 120.500 0.171 0.000 2.112 125 R HA -0.209 4.131 4.340 0.000 0.000 0.242 125 R C 1.668 177.837 176.300 -0.219 0.000 1.137 125 R CA 2.382 58.398 56.100 -0.140 0.000 0.944 125 R CB -0.654 29.391 30.300 -0.425 0.000 0.857 125 R HN 0.499 nan 8.270 nan 0.000 0.435 126 H N -1.265 117.875 119.070 0.117 0.000 3.046 126 H HA 0.255 4.811 4.556 0.000 0.000 0.262 126 H C 0.162 175.549 175.328 0.098 0.000 1.044 126 H CA 0.392 56.530 56.048 0.150 0.000 1.209 126 H CB 0.355 30.190 29.762 0.122 0.000 1.507 126 H HN 0.224 nan 8.280 nan 0.000 0.507 127 S N 1.426 117.080 115.700 -0.077 0.000 2.592 127 S HA 0.415 4.885 4.470 0.000 0.000 0.271 127 S C -0.293 174.137 174.600 -0.283 0.000 1.326 127 S CA -0.509 57.299 58.200 -0.653 0.000 1.024 127 S CB 0.844 63.236 63.200 -1.347 0.000 0.921 127 S HN 0.466 nan 8.310 nan 0.000 0.527 128 Y N -2.265 117.852 120.300 -0.304 0.000 2.814 128 Y HA 0.697 5.247 4.550 0.000 0.000 0.348 128 Y C -0.776 175.047 175.900 -0.128 0.000 1.245 128 Y CA -0.950 56.960 58.100 -0.316 0.000 1.086 128 Y CB 0.538 38.672 38.460 -0.543 0.000 1.373 128 Y HN 0.868 nan 8.280 nan 0.000 0.451 129 T N -0.309 114.265 114.554 0.034 0.000 2.916 129 T HA 1.007 5.357 4.350 0.000 0.000 0.292 129 T C -0.674 174.085 174.700 0.098 0.000 1.055 129 T CA -0.159 61.992 62.100 0.085 0.000 1.009 129 T CB 1.799 70.681 68.868 0.023 0.000 1.118 129 T HN 1.885 nan 8.240 nan 0.000 0.497 130 A N 0.911 123.788 122.820 0.095 0.000 2.599 130 A HA 0.804 5.124 4.320 0.000 0.000 0.290 130 A C -0.605 176.823 177.584 -0.259 0.000 1.101 130 A CA -0.952 51.005 52.037 -0.132 0.000 0.674 130 A CB 1.247 20.105 19.000 -0.236 0.000 1.277 130 A HN 0.888 nan 8.150 nan 0.000 0.419 131 S N -0.730 114.590 115.700 -0.634 0.000 2.638 131 S HA 0.826 5.296 4.470 0.000 0.000 0.298 131 S C -1.528 172.415 174.600 -1.094 0.000 1.111 131 S CA -0.114 57.636 58.200 -0.750 0.000 1.027 131 S CB 0.801 63.423 63.200 -0.963 0.000 1.064 131 S HN 0.464 nan 8.310 nan 0.000 0.525 132 Y N 0.117 120.121 120.300 -0.493 0.000 2.492 132 Y HA 0.466 5.016 4.550 0.000 0.000 0.346 132 Y C -0.553 175.350 175.900 0.006 0.000 0.997 132 Y CA -0.860 57.105 58.100 -0.224 0.000 1.025 132 Y CB 1.892 40.207 38.460 -0.243 0.000 1.263 132 Y HN 0.497 nan 8.280 nan 0.000 0.454 133 D N 2.852 123.453 120.400 0.335 0.000 2.896 133 D HA 0.485 5.125 4.640 0.000 0.000 0.241 133 D C -0.897 175.594 176.300 0.318 0.000 1.188 133 D CA -0.299 53.921 54.000 0.366 0.000 0.879 133 D CB 2.532 43.699 40.800 0.611 0.000 1.553 133 D HN 0.401 nan 8.370 nan 0.000 0.515 134 I N 1.866 122.604 120.570 0.280 0.000 2.428 134 I HA 0.309 4.479 4.170 0.000 0.000 0.296 134 I C -0.655 175.742 176.117 0.465 0.000 0.985 134 I CA -0.891 60.617 61.300 0.347 0.000 1.260 134 I CB 1.217 39.360 38.000 0.238 0.000 1.389 134 I HN 0.263 nan 8.210 nan 0.000 0.484 135 Y N 4.904 125.442 120.300 0.396 0.000 2.361 135 Y HA 0.302 4.852 4.550 0.000 0.000 0.337 135 Y C -0.641 175.449 175.900 0.316 0.000 0.965 135 Y CA -0.958 57.359 58.100 0.362 0.000 1.091 135 Y CB 1.337 40.057 38.460 0.433 0.000 1.182 135 Y HN 0.523 nan 8.280 nan 0.000 0.450 136 D N 6.150 126.510 120.400 -0.067 0.000 2.336 136 D HA 0.102 4.742 4.640 0.000 0.000 0.249 136 D C 0.420 176.489 176.300 -0.386 0.000 1.213 136 D CA 0.238 54.076 54.000 -0.270 0.000 0.870 136 D CB 1.126 41.808 40.800 -0.197 0.000 1.076 136 D HN 0.868 nan 8.370 nan 0.000 0.483 137 L N 3.568 124.627 121.223 -0.273 0.000 2.478 137 L HA -0.047 4.293 4.340 0.000 0.000 0.223 137 L C 1.798 178.549 176.870 -0.199 0.000 1.140 137 L CA 0.199 54.963 54.840 -0.126 0.000 0.842 137 L CB -0.206 41.783 42.059 -0.117 0.000 0.953 137 L HN 0.325 nan 8.230 nan 0.000 0.452 138 N N 0.695 119.232 118.700 -0.272 0.000 2.176 138 N HA -0.075 4.666 4.740 0.000 0.000 0.187 138 N C 1.091 176.497 175.510 -0.173 0.000 1.043 138 N CA 1.109 54.038 53.050 -0.202 0.000 0.851 138 N CB -0.079 38.287 38.487 -0.202 0.000 1.018 138 N HN 0.165 nan 8.380 nan 0.000 0.436 139 K N 1.917 122.201 120.400 -0.194 0.000 2.790 139 K HA 0.153 4.473 4.320 0.000 0.000 0.229 139 K C -0.379 176.091 176.600 -0.216 0.000 1.040 139 K CA -0.183 56.005 56.287 -0.165 0.000 1.211 139 K CB 0.163 32.584 32.500 -0.131 0.000 1.002 139 K HN 0.046 nan 8.250 nan 0.000 0.479 140 R N 1.057 121.415 120.500 -0.237 0.000 2.841 140 R HA -0.246 4.094 4.340 0.000 0.000 0.224 140 R C -0.540 175.504 176.300 -0.427 0.000 0.809 140 R CA 1.044 56.989 56.100 -0.257 0.000 0.547 140 R CB -1.935 28.313 30.300 -0.086 0.000 1.099 140 R HN 0.550 nan 8.270 nan 0.000 0.503 141 Q N -0.753 118.568 119.800 -0.797 0.000 2.534 141 Q HA 0.484 4.824 4.340 0.000 0.000 0.290 141 Q C -0.957 174.731 176.000 -0.519 0.000 0.991 141 Q CA -1.136 54.340 55.803 -0.545 0.000 0.783 141 Q CB 1.652 30.254 28.738 -0.227 0.000 1.470 141 Q HN 0.112 nan 8.270 nan 0.000 0.406 142 L N 1.574 122.756 121.223 -0.068 0.000 2.326 142 L HA 0.298 4.638 4.340 0.000 0.000 0.278 142 L C -0.265 176.660 176.870 0.091 0.000 1.092 142 L CA -0.260 54.676 54.840 0.159 0.000 0.810 142 L CB 0.365 42.591 42.059 0.278 0.000 1.153 142 L HN 0.434 nan 8.230 nan 0.000 0.439 143 I N 2.616 123.267 120.570 0.135 0.000 2.505 143 I HA 0.037 4.207 4.170 0.000 0.000 0.287 143 I C 1.228 177.387 176.117 0.070 0.000 1.104 143 I CA 0.352 61.708 61.300 0.094 0.000 1.387 143 I CB 0.618 38.684 38.000 0.109 0.000 1.404 143 I HN 0.784 nan 8.210 nan 0.000 0.528 144 T N 2.588 117.164 114.554 0.037 0.000 3.037 144 T HA 0.086 4.436 4.350 0.000 0.000 0.251 144 T C 0.567 175.268 174.700 0.002 0.000 1.079 144 T CA -0.106 62.006 62.100 0.021 0.000 1.067 144 T CB 0.249 69.123 68.868 0.009 0.000 0.948 144 T HN 0.660 nan 8.240 nan 0.000 0.496 145 E N 1.072 121.269 120.200 -0.004 0.000 2.359 145 E HA 0.299 4.649 4.350 0.000 0.000 0.266 145 E C -0.992 175.588 176.600 -0.034 0.000 0.920 145 E CA -0.730 55.657 56.400 -0.022 0.000 0.788 145 E CB 1.002 30.691 29.700 -0.019 0.000 1.279 145 E HN -0.020 nan 8.360 nan 0.000 0.438 146 E N 0.618 120.785 120.200 -0.054 0.000 2.240 146 E HA -0.211 4.139 4.350 0.000 0.000 0.194 146 E C -0.568 175.972 176.600 -0.100 0.000 1.385 146 E CA 0.655 57.010 56.400 -0.075 0.000 0.686 146 E CB -1.135 28.534 29.700 -0.052 0.000 1.125 146 E HN 0.502 nan 8.360 nan 0.000 0.359 147 R N -0.194 120.229 120.500 -0.128 0.000 2.607 147 R HA 0.584 4.924 4.340 0.000 0.000 0.261 147 R C 1.027 177.151 176.300 -0.294 0.000 1.051 147 R CA -0.977 55.028 56.100 -0.158 0.000 1.110 147 R CB 0.848 31.086 30.300 -0.102 0.000 1.158 147 R HN 0.099 nan 8.270 nan 0.000 0.543 148 I N 2.803 123.161 120.570 -0.353 0.000 2.474 148 I HA 0.149 4.319 4.170 0.000 0.000 0.287 148 I C -1.862 173.960 176.117 -0.493 0.000 1.048 148 I CA -1.931 59.004 61.300 -0.609 0.000 1.383 148 I CB 0.949 38.571 38.000 -0.630 0.000 1.412 148 I HN 0.248 nan 8.210 nan 0.000 0.531 149 P HA 0.082 nan 4.420 nan 0.000 0.272 149 P C -0.902 176.230 177.300 -0.281 0.000 1.223 149 P CA -0.354 62.392 63.100 -0.591 0.000 0.784 149 P CB 0.304 31.232 31.700 -1.286 0.000 0.923 150 N N 2.591 121.201 118.700 -0.150 0.000 2.416 150 N HA -0.023 4.717 4.740 0.000 0.000 0.246 150 N C 0.465 176.045 175.510 0.117 0.000 1.260 150 N CA 0.443 53.463 53.050 -0.050 0.000 0.897 150 N CB -0.420 38.049 38.487 -0.029 0.000 1.110 150 N HN 0.428 nan 8.380 nan 0.000 0.439 151 N N -1.191 117.568 118.700 0.098 0.000 2.754 151 N HA -0.157 4.583 4.740 0.000 0.000 0.248 151 N C -0.825 174.859 175.510 0.291 0.000 1.093 151 N CA 0.695 53.841 53.050 0.161 0.000 0.699 151 N CB -1.699 36.882 38.487 0.157 0.000 1.016 151 N HN 0.483 nan 8.380 nan 0.000 0.552 152 T N 0.734 115.454 114.554 0.277 0.000 2.907 152 T HA 0.167 4.517 4.350 0.000 0.000 0.298 152 T C 1.730 176.570 174.700 0.234 0.000 1.017 152 T CA -0.001 62.277 62.100 0.297 0.000 1.118 152 T CB 1.277 70.220 68.868 0.125 0.000 0.948 152 T HN 0.180 nan 8.240 nan 0.000 0.531 153 Q N 1.449 121.371 119.800 0.203 0.000 2.394 153 Q HA 0.177 4.517 4.340 0.000 0.000 0.218 153 Q C 0.157 176.296 176.000 0.232 0.000 0.907 153 Q CA 0.164 56.091 55.803 0.207 0.000 0.919 153 Q CB 1.210 30.046 28.738 0.164 0.000 1.051 153 Q HN 0.685 nan 8.270 nan 0.000 0.538 154 W N 0.566 121.808 121.300 -0.096 0.000 3.479 154 W HA 0.479 5.139 4.660 0.000 0.000 0.304 154 W C -2.230 174.190 176.519 -0.165 0.000 1.243 154 W CA -0.610 56.641 57.345 -0.156 0.000 1.202 154 W CB 1.565 30.875 29.460 -0.250 0.000 1.346 154 W HN -0.299 nan 8.180 nan 0.000 0.539 155 V N 3.226 122.486 119.914 -1.090 0.000 2.876 155 V HA 0.727 4.847 4.120 0.000 0.000 0.312 155 V C -0.394 175.082 176.094 -1.030 0.000 1.085 155 V CA -0.666 61.101 62.300 -0.888 0.000 0.945 155 V CB 1.789 32.999 31.823 -1.021 0.000 1.017 155 V HN 0.498 nan 8.190 nan 0.000 0.428 156 T N 2.142 116.413 114.554 -0.473 0.000 2.982 156 T HA 0.518 4.868 4.350 0.000 0.000 0.321 156 T C -1.461 173.262 174.700 0.038 0.000 1.229 156 T CA -0.333 61.680 62.100 -0.145 0.000 1.044 156 T CB 0.863 69.878 68.868 0.245 0.000 1.184 156 T HN 0.522 nan 8.240 nan 0.000 0.477 157 W N 2.855 124.214 121.300 0.099 0.000 2.129 157 W HA 0.472 5.132 4.660 0.000 0.000 0.349 157 W C 1.234 177.676 176.519 -0.128 0.000 1.279 157 W CA -0.555 56.806 57.345 0.026 0.000 1.306 157 W CB 0.616 30.079 29.460 0.005 0.000 1.140 157 W HN 0.797 nan 8.180 nan 0.000 0.613 158 S N 0.825 116.375 115.700 -0.250 0.000 2.603 158 S HA 0.189 4.659 4.470 0.000 0.000 0.268 158 S C -1.888 172.471 174.600 -0.402 0.000 1.317 158 S CA -1.020 56.526 58.200 -1.089 0.000 1.012 158 S CB 1.062 63.503 63.200 -1.266 0.000 0.926 158 S HN 0.255 nan 8.310 nan 0.000 0.539 159 P HA 0.053 nan 4.420 nan 0.000 0.223 159 P C 0.080 177.322 177.300 -0.096 0.000 1.151 159 P CA 0.678 63.722 63.100 -0.092 0.000 0.787 159 P CB -0.200 31.482 31.700 -0.030 0.000 0.788 160 V N -6.407 113.403 119.914 -0.173 0.000 3.007 160 V HA 0.887 5.007 4.120 0.000 0.000 0.311 160 V C 0.302 176.275 176.094 -0.201 0.000 1.120 160 V CA -0.399 61.816 62.300 -0.141 0.000 0.980 160 V CB 1.108 32.869 31.823 -0.103 0.000 1.033 160 V HN 0.391 nan 8.190 nan 0.000 0.429 161 G N 2.442 111.136 108.800 -0.177 0.000 2.512 161 G HA2 -0.137 3.823 3.960 0.000 0.000 0.240 161 G HA3 -0.137 3.823 3.960 0.000 0.000 0.240 161 G C 0.101 174.869 174.900 -0.220 0.000 1.246 161 G CA 0.518 45.458 45.100 -0.267 0.000 0.919 161 G HN 2.434 nan 8.290 nan 0.000 0.577 162 H N -0.520 118.532 119.070 -0.031 0.000 2.750 162 H HA 0.455 5.011 4.556 0.000 0.000 0.239 162 H C 0.423 175.881 175.328 0.217 0.000 1.210 162 H CA -0.200 55.877 56.048 0.049 0.000 0.936 162 H CB 0.028 29.795 29.762 0.008 0.000 2.074 162 H HN 0.464 nan 8.280 nan 0.000 0.622 163 K N 1.676 122.120 120.400 0.072 0.000 2.319 163 K HA 0.406 4.726 4.320 0.000 0.000 0.265 163 K C -0.432 176.279 176.600 0.184 0.000 1.000 163 K CA -0.153 56.171 56.287 0.060 0.000 0.943 163 K CB 1.347 33.727 32.500 -0.200 0.000 0.950 163 K HN 0.191 nan 8.250 nan 0.000 0.485 164 L N 1.509 122.850 121.223 0.196 0.000 2.381 164 L HA 0.600 4.940 4.340 0.000 0.000 0.268 164 L C -0.964 176.083 176.870 0.296 0.000 0.997 164 L CA -0.891 54.026 54.840 0.127 0.000 0.818 164 L CB 2.121 44.106 42.059 -0.122 0.000 1.310 164 L HN 0.707 nan 8.230 nan 0.000 0.416 165 A N 2.712 125.706 122.820 0.291 0.000 2.371 165 A HA 0.824 5.144 4.320 0.000 0.000 0.311 165 A C -1.611 176.007 177.584 0.056 0.000 1.068 165 A CA -0.373 51.739 52.037 0.125 0.000 0.744 165 A CB 1.397 20.380 19.000 -0.029 0.000 1.239 165 A HN 0.652 nan 8.150 nan 0.000 0.435 166 Y N -0.616 119.634 120.300 -0.083 0.000 2.588 166 Y HA 0.777 5.327 4.550 0.000 0.000 0.343 166 Y C -1.285 174.618 175.900 0.005 0.000 1.065 166 Y CA -1.541 56.487 58.100 -0.121 0.000 1.038 166 Y CB 1.147 39.463 38.460 -0.241 0.000 1.297 166 Y HN 0.413 nan 8.280 nan 0.000 0.467 167 V N 2.304 122.310 119.914 0.154 0.000 2.495 167 V HA 0.384 4.504 4.120 0.000 0.000 0.298 167 V C -1.521 174.760 176.094 0.311 0.000 1.031 167 V CA -0.576 61.795 62.300 0.118 0.000 0.871 167 V CB 1.405 33.228 31.823 -0.000 0.000 0.988 167 V HN 0.870 nan 8.190 nan 0.000 0.432 168 W N 5.197 126.557 121.300 0.099 0.000 3.132 168 W HA 0.449 5.109 4.660 0.000 0.000 0.337 168 W C 0.209 176.762 176.519 0.057 0.000 1.082 168 W CA -0.749 56.635 57.345 0.066 0.000 1.242 168 W CB 1.182 30.647 29.460 0.008 0.000 1.354 168 W HN 0.780 nan 8.180 nan 0.000 0.461 169 N N 5.575 123.880 118.700 -0.659 0.000 2.727 169 N HA -0.347 4.393 4.740 0.000 0.000 0.249 169 N C 0.074 175.405 175.510 -0.298 0.000 1.048 169 N CA 1.088 53.775 53.050 -0.606 0.000 0.714 169 N CB -1.101 36.827 38.487 -0.931 0.000 0.959 169 N HN 0.787 nan 8.380 nan 0.000 0.544 170 N N -2.129 116.457 118.700 -0.190 0.000 2.850 170 N HA -0.164 4.576 4.740 0.000 0.000 0.249 170 N C -1.324 174.095 175.510 -0.152 0.000 1.060 170 N CA 1.042 53.997 53.050 -0.158 0.000 0.825 170 N CB -0.382 37.972 38.487 -0.221 0.000 1.132 170 N HN 0.475 nan 8.380 nan 0.000 0.564 171 D N 0.418 120.740 120.400 -0.130 0.000 2.490 171 D HA 0.520 5.160 4.640 0.000 0.000 0.232 171 D C 0.078 176.206 176.300 -0.286 0.000 1.053 171 D CA -0.380 53.467 54.000 -0.255 0.000 0.914 171 D CB 1.861 42.460 40.800 -0.335 0.000 1.431 171 D HN -0.005 nan 8.370 nan 0.000 0.483 172 I N 1.333 121.571 120.570 -0.554 0.000 2.437 172 I HA 0.309 4.480 4.170 0.000 0.000 0.298 172 I C -0.819 174.834 176.117 -0.773 0.000 0.984 172 I CA -0.566 60.402 61.300 -0.552 0.000 1.214 172 I CB 0.768 38.378 38.000 -0.650 0.000 1.365 172 I HN 0.174 nan 8.210 nan 0.000 0.469 173 Y N 3.749 123.659 120.300 -0.650 0.000 2.512 173 Y HA 0.629 5.179 4.550 0.000 0.000 0.348 173 Y C -0.418 175.180 175.900 -0.504 0.000 0.990 173 Y CA -0.970 56.731 58.100 -0.666 0.000 1.033 173 Y CB 2.121 39.922 38.460 -1.098 0.000 1.259 173 Y HN 0.103 nan 8.280 nan 0.000 0.461 174 V N 2.685 122.571 119.914 -0.046 0.000 2.531 174 V HA 0.427 4.547 4.120 0.000 0.000 0.301 174 V C -0.758 175.479 176.094 0.239 0.000 1.034 174 V CA -1.411 60.940 62.300 0.086 0.000 0.865 174 V CB 1.857 33.717 31.823 0.061 0.000 0.995 174 V HN 0.612 nan 8.190 nan 0.000 0.424 175 K N 4.334 124.874 120.400 0.233 0.000 2.265 175 K HA 0.514 4.834 4.320 0.000 0.000 0.267 175 K C 0.410 177.125 176.600 0.192 0.000 0.994 175 K CA -0.689 55.732 56.287 0.224 0.000 0.860 175 K CB 1.918 34.504 32.500 0.143 0.000 1.099 175 K HN 0.470 nan 8.250 nan 0.000 0.448 176 I N 1.200 121.890 120.570 0.200 0.000 2.333 176 I HA -0.077 4.093 4.170 0.000 0.000 0.246 176 I C 0.418 176.635 176.117 0.166 0.000 1.106 176 I CA 1.411 62.794 61.300 0.138 0.000 1.411 176 I CB 0.004 38.070 38.000 0.110 0.000 1.082 176 I HN 0.544 nan 8.210 nan 0.000 0.420 177 E N 0.054 120.344 120.200 0.151 0.000 2.222 177 E HA 0.265 4.615 4.350 0.000 0.000 0.267 177 E C -1.831 174.760 176.600 -0.015 0.000 0.884 177 E CA -2.038 54.417 56.400 0.092 0.000 0.764 177 E CB 1.771 31.522 29.700 0.086 0.000 1.169 177 E HN -0.157 nan 8.360 nan 0.000 0.413 178 P HA -0.236 nan 4.420 nan 0.000 0.218 178 P C 0.910 178.160 177.300 -0.083 0.000 1.154 178 P CA 1.665 64.643 63.100 -0.204 0.000 0.872 178 P CB 0.287 31.680 31.700 -0.512 0.000 0.790 179 N N -1.550 117.121 118.700 -0.048 0.000 2.424 179 N HA -0.013 4.727 4.740 0.000 0.000 0.178 179 N C 0.425 175.936 175.510 0.002 0.000 1.060 179 N CA 0.402 53.450 53.050 -0.005 0.000 0.901 179 N CB -0.614 37.887 38.487 0.023 0.000 0.979 179 N HN 0.088 nan 8.380 nan 0.000 0.451 180 L N 2.002 123.235 121.223 0.017 0.000 2.456 180 L HA 0.406 4.746 4.340 0.000 0.000 0.257 180 L C -1.922 174.953 176.870 0.008 0.000 1.162 180 L CA -1.997 52.859 54.840 0.026 0.000 0.808 180 L CB 0.100 42.202 42.059 0.071 0.000 1.136 180 L HN 0.029 nan 8.230 nan 0.000 0.466 181 P HA 0.129 nan 4.420 nan 0.000 0.272 181 P C -1.077 176.191 177.300 -0.054 0.000 1.223 181 P CA -0.481 62.580 63.100 -0.066 0.000 0.784 181 P CB 0.705 32.332 31.700 -0.122 0.000 0.923 182 S N 1.507 117.207 115.700 0.000 0.000 2.562 182 S HA 0.392 4.862 4.470 0.000 0.000 0.275 182 S C -0.569 174.064 174.600 0.055 0.000 1.281 182 S CA -0.545 57.730 58.200 0.126 0.000 1.045 182 S CB 0.025 63.367 63.200 0.236 0.000 0.962 182 S HN 0.311 nan 8.310 nan 0.000 0.503 183 Y N 0.882 121.215 120.300 0.055 0.000 2.313 183 Y HA 0.392 4.942 4.550 0.000 0.000 0.332 183 Y C 1.193 177.038 175.900 -0.090 0.000 1.071 183 Y CA -0.855 57.255 58.100 0.016 0.000 1.169 183 Y CB 0.864 39.331 38.460 0.012 0.000 1.192 183 Y HN 0.511 nan 8.280 nan 0.000 0.487 184 R N 3.776 124.245 120.500 -0.053 0.000 2.298 184 R HA 0.170 4.510 4.340 0.000 0.000 0.310 184 R C 0.165 176.236 176.300 -0.381 0.000 1.068 184 R CA 0.054 55.842 56.100 -0.521 0.000 0.957 184 R CB 0.575 30.372 30.300 -0.840 0.000 1.003 184 R HN 0.775 nan 8.270 nan 0.000 0.454 185 I N 1.406 121.648 120.570 -0.547 0.000 2.729 185 I HA -0.026 4.144 4.170 0.000 0.000 0.256 185 I C 1.300 177.222 176.117 -0.325 0.000 1.115 185 I CA 0.973 62.072 61.300 -0.336 0.000 1.446 185 I CB -0.831 36.932 38.000 -0.395 0.000 1.176 185 I HN 0.505 nan 8.210 nan 0.000 0.446 186 T N -3.202 111.019 114.554 -0.554 0.000 2.888 186 T HA 0.383 4.733 4.350 0.000 0.000 0.284 186 T C -0.537 173.877 174.700 -0.477 0.000 1.017 186 T CA -0.463 61.409 62.100 -0.380 0.000 1.022 186 T CB 1.884 70.500 68.868 -0.420 0.000 1.013 186 T HN 0.222 nan 8.240 nan 0.000 0.465 187 W N 0.528 121.709 121.300 -0.198 0.000 2.702 187 W HA 0.238 4.898 4.660 0.000 0.000 0.369 187 W C 1.806 178.263 176.519 -0.103 0.000 0.987 187 W CA -0.237 57.025 57.345 -0.137 0.000 1.702 187 W CB 0.275 29.675 29.460 -0.100 0.000 1.138 187 W HN 0.926 nan 8.180 nan 0.000 0.552 188 T N -3.028 111.556 114.554 0.050 0.000 3.040 188 T HA 0.279 4.629 4.350 0.000 0.000 0.250 188 T C 1.236 175.924 174.700 -0.020 0.000 1.058 188 T CA 0.130 62.248 62.100 0.029 0.000 0.988 188 T CB -0.069 68.814 68.868 0.025 0.000 0.993 188 T HN -0.005 nan 8.240 nan 0.000 0.519 189 G N 1.446 110.203 108.800 -0.073 0.000 2.305 189 G HA2 0.363 4.323 3.960 0.000 0.000 0.243 189 G HA3 0.363 4.323 3.960 0.000 0.000 0.243 189 G C -0.614 174.214 174.900 -0.120 0.000 1.288 189 G CA -0.335 44.697 45.100 -0.115 0.000 0.901 189 G HN 0.555 nan 8.290 nan 0.000 0.516 190 K N 1.974 122.284 120.400 -0.152 0.000 2.565 190 K HA 0.201 4.521 4.320 0.000 0.000 0.251 190 K C -0.341 176.131 176.600 -0.213 0.000 0.956 190 K CA -0.708 55.492 56.287 -0.145 0.000 0.809 190 K CB 1.844 34.296 32.500 -0.080 0.000 1.267 190 K HN 0.600 nan 8.250 nan 0.000 0.438 191 E N 3.215 123.302 120.200 -0.190 0.000 2.558 191 E HA -0.115 4.235 4.350 0.000 0.000 0.255 191 E C -0.574 175.933 176.600 -0.155 0.000 0.968 191 E CA 0.806 57.089 56.400 -0.195 0.000 0.939 191 E CB 0.280 29.900 29.700 -0.133 0.000 0.921 191 E HN 0.630 nan 8.360 nan 0.000 0.477 192 D N 2.760 123.051 120.400 -0.182 0.000 3.077 192 D HA -0.226 4.414 4.640 0.000 0.000 0.217 192 D C 0.425 176.762 176.300 0.060 0.000 1.162 192 D CA 1.153 55.162 54.000 0.014 0.000 0.943 192 D CB -0.390 40.456 40.800 0.076 0.000 1.122 192 D HN 0.420 nan 8.370 nan 0.000 0.413 193 I N -1.200 119.323 120.570 -0.078 0.000 3.814 193 I HA 0.100 4.270 4.170 0.000 0.000 0.264 193 I C 0.686 176.860 176.117 0.096 0.000 1.145 193 I CA 0.420 61.752 61.300 0.054 0.000 1.375 193 I CB 0.109 38.120 38.000 0.018 0.000 1.638 193 I HN -0.147 nan 8.210 nan 0.000 0.432 194 I N 1.843 122.377 120.570 -0.061 0.000 2.389 194 I HA 0.284 4.454 4.170 0.000 0.000 0.288 194 I C -1.216 174.853 176.117 -0.081 0.000 0.999 194 I CA -0.653 60.671 61.300 0.041 0.000 1.129 194 I CB 0.852 38.866 38.000 0.024 0.000 1.288 194 I HN 0.029 nan 8.210 nan 0.000 0.444 195 Y N 4.739 125.122 120.300 0.138 0.000 2.334 195 Y HA 0.402 4.952 4.550 0.000 0.000 0.336 195 Y C 0.380 176.335 175.900 0.091 0.000 0.960 195 Y CA -0.754 57.426 58.100 0.134 0.000 1.164 195 Y CB 1.037 39.649 38.460 0.254 0.000 1.155 195 Y HN 0.401 nan 8.280 nan 0.000 0.478 196 N N 2.401 121.150 118.700 0.083 0.000 2.469 196 N HA 0.355 5.095 4.740 0.000 0.000 0.253 196 N C 0.835 176.262 175.510 -0.138 0.000 0.970 196 N CA 0.429 53.454 53.050 -0.041 0.000 0.940 196 N CB 1.723 40.094 38.487 -0.193 0.000 1.128 196 N HN 0.976 nan 8.380 nan 0.000 0.503 197 G N 1.562 110.298 108.800 -0.106 0.000 2.176 197 G HA2 -0.255 3.705 3.960 0.000 0.000 0.253 197 G HA3 -0.255 3.705 3.960 0.000 0.000 0.253 197 G C 0.084 174.804 174.900 -0.300 0.000 0.979 197 G CA 0.610 45.566 45.100 -0.240 0.000 0.641 197 G HN 0.636 nan 8.290 nan 0.000 0.530 198 I N -1.469 118.994 120.570 -0.179 0.000 2.828 198 I HA 0.819 4.989 4.170 0.000 0.000 0.302 198 I C 0.323 176.414 176.117 -0.043 0.000 1.101 198 I CA -0.663 60.431 61.300 -0.343 0.000 1.031 198 I CB 2.017 39.626 38.000 -0.653 0.000 1.231 198 I HN 0.188 nan 8.210 nan 0.000 0.427 199 T N -0.278 114.183 114.554 -0.155 0.000 2.899 199 T HA 0.357 4.707 4.350 0.000 0.000 0.284 199 T C -0.021 174.475 174.700 -0.340 0.000 1.004 199 T CA -0.585 61.303 62.100 -0.353 0.000 1.043 199 T CB 1.165 69.924 68.868 -0.181 0.000 1.013 199 T HN 0.802 nan 8.240 nan 0.000 0.518 200 D N 0.554 120.493 120.400 -0.768 0.000 2.348 200 D HA 0.004 4.644 4.640 0.000 0.000 0.272 200 D C 1.036 177.271 176.300 -0.109 0.000 1.237 200 D CA -0.851 52.728 54.000 -0.701 0.000 1.042 200 D CB -0.138 40.171 40.800 -0.818 0.000 1.117 200 D HN 0.689 nan 8.370 nan 0.000 0.548 201 W N -0.411 120.828 121.300 -0.102 0.000 2.378 201 W HA -0.138 4.522 4.660 0.000 0.000 0.313 201 W C 2.220 178.650 176.519 -0.148 0.000 1.197 201 W CA 2.200 59.497 57.345 -0.080 0.000 1.304 201 W CB -0.549 28.821 29.460 -0.151 0.000 1.148 201 W HN 0.160 nan 8.180 nan 0.000 0.494 202 V N -0.094 119.892 119.914 0.121 0.000 2.548 202 V HA -0.247 3.873 4.120 0.000 0.000 0.249 202 V C 1.825 177.742 176.094 -0.295 0.000 1.055 202 V CA 1.813 64.063 62.300 -0.084 0.000 1.065 202 V CB -0.719 31.080 31.823 -0.040 0.000 0.681 202 V HN 0.291 nan 8.190 nan 0.000 0.462 203 Y N 0.722 120.854 120.300 -0.279 0.000 2.242 203 Y HA -0.143 4.407 4.550 0.000 0.000 0.291 203 Y C 2.593 178.384 175.900 -0.183 0.000 1.137 203 Y CA 2.112 60.046 58.100 -0.276 0.000 1.181 203 Y CB -0.055 38.142 38.460 -0.439 0.000 0.989 203 Y HN 0.372 nan 8.280 nan 0.000 0.527 204 E N 0.313 120.469 120.200 -0.072 0.000 2.051 204 E HA -0.284 4.066 4.350 0.000 0.000 0.192 204 E C 2.010 178.551 176.600 -0.099 0.000 0.991 204 E CA 1.554 57.939 56.400 -0.025 0.000 0.799 204 E CB 0.034 29.720 29.700 -0.025 0.000 0.748 204 E HN 0.436 nan 8.360 nan 0.000 0.449 205 E N 0.241 120.195 120.200 -0.411 0.000 2.033 205 E HA -0.142 4.208 4.350 0.000 0.000 0.189 205 E C 1.758 178.208 176.600 -0.251 0.000 0.979 205 E CA 1.434 57.563 56.400 -0.451 0.000 0.802 205 E CB 0.111 29.183 29.700 -1.047 0.000 0.763 205 E HN 0.162 nan 8.360 nan 0.000 0.449 206 E N -0.337 119.692 120.200 -0.286 0.000 2.364 206 E HA 0.035 4.385 4.350 0.000 0.000 0.196 206 E C 1.783 178.242 176.600 -0.235 0.000 0.990 206 E CA 0.841 57.124 56.400 -0.195 0.000 0.886 206 E CB 0.964 30.551 29.700 -0.189 0.000 0.866 206 E HN 0.327 nan 8.360 nan 0.000 0.493 207 V N -1.626 118.105 119.914 -0.305 0.000 2.939 207 V HA 0.106 4.226 4.120 0.000 0.000 0.228 207 V C 1.416 177.326 176.094 -0.308 0.000 1.162 207 V CA 0.313 62.371 62.300 -0.404 0.000 1.222 207 V CB -0.475 30.945 31.823 -0.672 0.000 1.053 207 V HN -0.039 nan 8.190 nan 0.000 0.504 208 F N 1.727 121.692 119.950 0.025 0.000 2.710 208 F HA 0.389 4.916 4.527 0.000 0.000 0.298 208 F C 1.850 177.634 175.800 -0.027 0.000 1.137 208 F CA 0.829 58.861 58.000 0.052 0.000 1.444 208 F CB -0.494 38.577 39.000 0.118 0.000 1.111 208 F HN 0.310 nan 8.300 nan 0.000 0.580 209 S N -0.261 115.484 115.700 0.075 0.000 3.473 209 S HA -0.086 4.384 4.470 0.000 0.000 0.339 209 S C 0.158 174.456 174.600 -0.503 0.000 1.148 209 S CA 0.440 58.600 58.200 -0.066 0.000 0.969 209 S CB -1.574 61.612 63.200 -0.024 0.000 0.936 209 S HN 0.629 nan 8.310 nan 0.000 0.530 210 A N -0.803 121.886 122.820 -0.219 0.000 2.609 210 A HA 0.755 5.075 4.320 0.000 0.000 0.291 210 A C -0.214 177.342 177.584 -0.046 0.000 1.096 210 A CA -0.450 51.426 52.037 -0.269 0.000 0.684 210 A CB 0.413 19.280 19.000 -0.221 0.000 1.282 210 A HN 0.252 nan 8.150 nan 0.000 0.412 211 Y N 1.069 121.203 120.300 -0.276 0.000 2.397 211 Y HA 0.186 4.736 4.550 0.000 0.000 0.292 211 Y C 1.557 177.150 175.900 -0.510 0.000 1.115 211 Y CA 0.969 58.905 58.100 -0.274 0.000 1.208 211 Y CB 0.004 38.333 38.460 -0.218 0.000 1.046 211 Y HN 0.603 nan 8.280 nan 0.000 0.552 212 S N 0.847 116.015 115.700 -0.888 0.000 2.510 212 S HA 0.458 4.928 4.470 0.000 0.000 0.279 212 S C 0.236 174.286 174.600 -0.917 0.000 1.284 212 S CA 0.087 57.501 58.200 -1.310 0.000 1.059 212 S CB 0.289 62.365 63.200 -1.872 0.000 0.901 212 S HN 0.393 nan 8.310 nan 0.000 0.491 213 A N 5.171 127.474 122.820 -0.862 0.000 3.113 213 A HA 0.551 4.871 4.320 0.000 0.000 0.307 213 A C -0.792 176.045 177.584 -1.245 0.000 1.025 213 A CA -0.654 50.803 52.037 -0.967 0.000 1.012 213 A CB -0.513 18.330 19.000 -0.261 0.000 1.085 213 A HN 0.828 nan 8.150 nan 0.000 0.519 214 L N -4.589 115.755 121.223 -1.466 0.000 2.424 214 L HA 0.872 5.212 4.340 0.000 0.000 0.258 214 L C -1.301 174.932 176.870 -1.061 0.000 0.995 214 L CA -1.392 52.800 54.840 -1.080 0.000 0.821 214 L CB 0.990 42.735 42.059 -0.524 0.000 1.383 214 L HN 0.242 nan 8.230 nan 0.000 0.410 215 W N 1.163 122.443 121.300 -0.033 0.000 2.756 215 W HA 0.345 5.005 4.660 0.000 0.000 0.333 215 W C -1.455 175.204 176.519 0.234 0.000 1.025 215 W CA -0.777 56.667 57.345 0.166 0.000 1.246 215 W CB 1.539 31.177 29.460 0.297 0.000 1.358 215 W HN 0.611 nan 8.180 nan 0.000 0.444 216 W N 2.300 123.790 121.300 0.316 0.000 2.150 216 W HA 0.245 4.905 4.660 0.000 0.000 0.341 216 W C 1.322 177.644 176.519 -0.327 0.000 1.276 216 W CA 0.257 57.647 57.345 0.076 0.000 1.238 216 W CB 0.870 30.355 29.460 0.042 0.000 1.128 216 W HN 0.208 nan 8.180 nan 0.000 0.581 217 S N 2.194 117.619 115.700 -0.458 0.000 2.600 217 S HA 0.213 4.683 4.470 0.000 0.000 0.265 217 S C -1.779 172.575 174.600 -0.410 0.000 1.325 217 S CA -1.009 56.405 58.200 -1.310 0.000 1.002 217 S CB 1.230 63.690 63.200 -1.233 0.000 0.921 217 S HN 0.265 nan 8.310 nan 0.000 0.554 218 P HA -0.149 nan 4.420 nan 0.000 0.215 218 P C 0.968 178.234 177.300 -0.057 0.000 1.157 218 P CA 1.658 64.721 63.100 -0.061 0.000 0.874 218 P CB -0.243 31.467 31.700 0.016 0.000 0.790 219 N N -1.693 116.966 118.700 -0.070 0.000 2.398 219 N HA 0.094 4.834 4.740 0.000 0.000 0.188 219 N C 1.094 176.525 175.510 -0.131 0.000 1.122 219 N CA 0.827 53.830 53.050 -0.078 0.000 0.866 219 N CB -0.890 37.568 38.487 -0.048 0.000 0.970 219 N HN 0.207 nan 8.380 nan 0.000 0.462 220 G N -1.366 107.357 108.800 -0.128 0.000 2.132 220 G HA2 -0.302 3.658 3.960 0.000 0.000 0.234 220 G HA3 -0.302 3.658 3.960 0.000 0.000 0.234 220 G C 0.848 175.729 174.900 -0.031 0.000 0.989 220 G CA 0.590 45.599 45.100 -0.152 0.000 0.676 220 G HN 0.357 nan 8.290 nan 0.000 0.522 221 T N -0.065 114.440 114.554 -0.080 0.000 2.701 221 T HA 0.192 4.542 4.350 0.000 0.000 0.263 221 T C 0.865 175.446 174.700 -0.199 0.000 1.040 221 T CA 1.298 63.260 62.100 -0.231 0.000 1.147 221 T CB -0.084 68.515 68.868 -0.448 0.000 0.865 221 T HN 0.288 nan 8.240 nan 0.000 0.426 222 F N 0.358 120.348 119.950 0.067 0.000 2.425 222 F HA 0.549 5.076 4.527 0.000 0.000 0.331 222 F C -0.000 175.873 175.800 0.122 0.000 1.085 222 F CA -1.183 56.883 58.000 0.110 0.000 1.028 222 F CB 1.043 40.140 39.000 0.161 0.000 1.177 222 F HN -0.068 nan 8.300 nan 0.000 0.487 223 L N 3.094 124.464 121.223 0.244 0.000 2.345 223 L HA 0.642 4.982 4.340 0.000 0.000 0.274 223 L C -0.573 176.367 176.870 0.115 0.000 0.999 223 L CA -0.498 54.303 54.840 -0.065 0.000 0.849 223 L CB 0.779 42.589 42.059 -0.416 0.000 1.220 223 L HN 0.796 nan 8.230 nan 0.000 0.422 224 A N 4.992 127.949 122.820 0.227 0.000 2.302 224 A HA 0.692 5.012 4.320 0.000 0.000 0.285 224 A C -1.184 176.428 177.584 0.046 0.000 1.105 224 A CA -0.206 51.856 52.037 0.042 0.000 0.816 224 A CB 0.789 19.883 19.000 0.156 0.000 1.067 224 A HN 0.734 nan 8.150 nan 0.000 0.489 225 Y N -2.202 117.852 120.300 -0.410 0.000 2.641 225 Y HA 0.704 5.254 4.550 0.000 0.000 0.333 225 Y C -0.430 175.264 175.900 -0.343 0.000 1.174 225 Y CA -0.805 57.117 58.100 -0.298 0.000 1.057 225 Y CB 0.716 39.003 38.460 -0.289 0.000 1.322 225 Y HN 0.958 nan 8.280 nan 0.000 0.457 226 A N 2.177 125.009 122.820 0.020 0.000 2.320 226 A HA 0.713 5.033 4.320 0.000 0.000 0.334 226 A C -1.153 176.335 177.584 -0.160 0.000 1.147 226 A CA -0.774 51.176 52.037 -0.146 0.000 0.820 226 A CB 1.684 20.553 19.000 -0.219 0.000 1.218 226 A HN 0.867 nan 8.150 nan 0.000 0.482 227 Q N 1.013 120.637 119.800 -0.295 0.000 2.310 227 Q HA 0.626 4.966 4.340 0.000 0.000 0.270 227 Q C -2.140 173.641 176.000 -0.364 0.000 1.025 227 Q CA -0.354 55.368 55.803 -0.136 0.000 0.772 227 Q CB 0.978 29.859 28.738 0.238 0.000 1.253 227 Q HN 0.544 nan 8.270 nan 0.000 0.450 228 F N 2.505 122.543 119.950 0.147 0.000 2.436 228 F HA 0.417 4.944 4.527 0.000 0.000 0.340 228 F C 0.341 176.282 175.800 0.235 0.000 1.113 228 F CA -0.923 57.144 58.000 0.111 0.000 1.022 228 F CB 1.443 40.422 39.000 -0.036 0.000 1.128 228 F HN 0.511 nan 8.300 nan 0.000 0.466 229 N N 2.339 121.244 118.700 0.342 0.000 2.511 229 N HA 0.170 4.910 4.740 0.000 0.000 0.249 229 N C -0.602 175.077 175.510 0.281 0.000 0.971 229 N CA -0.235 52.983 53.050 0.280 0.000 0.938 229 N CB 0.886 39.486 38.487 0.188 0.000 1.131 229 N HN 0.537 nan 8.380 nan 0.000 0.505 230 D N 1.778 122.370 120.400 0.320 0.000 2.342 230 D HA 0.099 4.739 4.640 0.000 0.000 0.221 230 D C 1.211 177.627 176.300 0.192 0.000 1.101 230 D CA 0.202 54.367 54.000 0.275 0.000 0.837 230 D CB 0.423 41.449 40.800 0.376 0.000 0.938 230 D HN 0.488 nan 8.370 nan 0.000 0.508 231 T N 0.501 115.150 114.554 0.158 0.000 2.620 231 T HA -0.218 4.132 4.350 0.000 0.000 0.267 231 T C 1.229 175.986 174.700 0.095 0.000 1.044 231 T CA 1.417 63.585 62.100 0.112 0.000 1.161 231 T CB -0.031 68.892 68.868 0.092 0.000 0.862 231 T HN 0.257 nan 8.240 nan 0.000 0.438 232 E N 0.278 120.535 120.200 0.094 0.000 2.437 232 E HA 0.206 4.556 4.350 0.000 0.000 0.195 232 E C -0.684 175.965 176.600 0.082 0.000 1.029 232 E CA -0.254 56.192 56.400 0.076 0.000 0.948 232 E CB 0.637 30.375 29.700 0.063 0.000 1.082 232 E HN 0.170 nan 8.360 nan 0.000 0.456 233 V N 3.450 123.426 119.914 0.103 0.000 2.455 233 V HA 0.116 4.236 4.120 0.000 0.000 0.273 233 V C -1.938 174.212 176.094 0.092 0.000 1.045 233 V CA -1.675 60.688 62.300 0.105 0.000 0.976 233 V CB 0.296 32.199 31.823 0.132 0.000 0.993 233 V HN 0.096 nan 8.190 nan 0.000 0.475 234 P HA 0.132 nan 4.420 nan 0.000 0.269 234 P C -0.601 176.736 177.300 0.062 0.000 1.211 234 P CA -0.036 63.103 63.100 0.064 0.000 0.781 234 P CB 0.481 32.219 31.700 0.064 0.000 0.877 235 L N 1.877 123.116 121.223 0.026 0.000 2.309 235 L HA 0.448 4.788 4.340 0.000 0.000 0.282 235 L C 0.350 177.181 176.870 -0.065 0.000 1.036 235 L CA -1.026 53.811 54.840 -0.006 0.000 0.806 235 L CB 1.160 43.208 42.059 -0.020 0.000 1.220 235 L HN 0.287 nan 8.230 nan 0.000 0.429 236 I N 3.107 123.594 120.570 -0.138 0.000 2.396 236 I HA 0.261 4.432 4.170 0.000 0.000 0.292 236 I C -0.294 175.676 176.117 -0.244 0.000 0.999 236 I CA 0.129 61.260 61.300 -0.281 0.000 1.310 236 I CB 1.004 38.621 38.000 -0.638 0.000 1.404 236 I HN 0.648 nan 8.210 nan 0.000 0.496 237 E N 7.208 127.285 120.200 -0.205 0.000 2.272 237 E HA 0.556 4.907 4.350 0.000 0.000 0.269 237 E C -1.837 174.703 176.600 -0.101 0.000 0.877 237 E CA -0.743 55.531 56.400 -0.210 0.000 0.755 237 E CB 1.892 31.492 29.700 -0.167 0.000 1.192 237 E HN 0.556 nan 8.360 nan 0.000 0.422 238 Y N -1.444 118.765 120.300 -0.152 0.000 2.581 238 Y HA 0.573 5.123 4.550 0.000 0.000 0.337 238 Y C -0.905 174.920 175.900 -0.126 0.000 1.108 238 Y CA -1.288 56.727 58.100 -0.142 0.000 1.033 238 Y CB 1.065 39.443 38.460 -0.138 0.000 1.318 238 Y HN 0.366 nan 8.280 nan 0.000 0.459 239 S N 2.229 117.932 115.700 0.005 0.000 2.584 239 S HA 0.516 4.986 4.470 0.000 0.000 0.273 239 S C -1.328 173.128 174.600 -0.241 0.000 1.311 239 S CA -0.366 57.704 58.200 -0.217 0.000 1.034 239 S CB 0.628 63.585 63.200 -0.406 0.000 0.939 239 S HN 0.560 nan 8.310 nan 0.000 0.513 240 F N 1.605 121.274 119.950 -0.468 0.000 2.539 240 F HA 0.450 4.977 4.527 0.000 0.000 0.318 240 F C -0.348 175.193 175.800 -0.432 0.000 1.135 240 F CA -0.916 56.868 58.000 -0.360 0.000 0.915 240 F CB 0.998 39.944 39.000 -0.090 0.000 1.176 240 F HN 0.649 nan 8.300 nan 0.000 0.440 241 Y N 2.557 122.591 120.300 -0.443 0.000 2.436 241 Y HA 0.185 4.735 4.550 0.000 0.000 0.288 241 Y C 1.634 177.439 175.900 -0.157 0.000 1.112 241 Y CA 0.957 58.919 58.100 -0.230 0.000 1.220 241 Y CB -0.285 38.038 38.460 -0.228 0.000 1.073 241 Y HN 0.739 nan 8.280 nan 0.000 0.552 242 S N -0.322 115.270 115.700 -0.179 0.000 3.569 242 S HA -0.204 4.266 4.470 0.000 0.000 0.635 242 S C -0.776 173.859 174.600 0.058 0.000 2.396 242 S CA 0.136 58.380 58.200 0.074 0.000 2.612 242 S CB -1.178 62.152 63.200 0.216 0.000 0.331 242 S HN 0.451 nan 8.310 nan 0.000 1.764 243 D N 1.979 122.432 120.400 0.088 0.000 2.400 243 D HA 0.163 4.803 4.640 0.000 0.000 0.238 243 D C 1.481 177.808 176.300 0.045 0.000 1.157 243 D CA 0.563 54.598 54.000 0.059 0.000 0.889 243 D CB 0.255 41.093 40.800 0.062 0.000 1.199 243 D HN 0.714 nan 8.370 nan 0.000 0.436 244 E N -0.203 120.012 120.200 0.025 0.000 2.333 244 E HA -0.185 4.165 4.350 0.000 0.000 0.198 244 E C 1.073 177.684 176.600 0.019 0.000 1.007 244 E CA 0.998 57.405 56.400 0.012 0.000 0.845 244 E CB -0.062 29.635 29.700 -0.005 0.000 0.766 244 E HN 0.316 nan 8.360 nan 0.000 0.507 245 S N 0.822 116.540 115.700 0.030 0.000 2.469 245 S HA -0.068 4.402 4.470 0.000 0.000 0.238 245 S C 1.156 175.783 174.600 0.045 0.000 0.998 245 S CA 0.255 58.475 58.200 0.033 0.000 0.957 245 S CB -0.231 62.992 63.200 0.038 0.000 0.764 245 S HN 0.338 nan 8.310 nan 0.000 0.514 246 L N 2.808 124.066 121.223 0.057 0.000 2.295 246 L HA 0.232 4.572 4.340 0.000 0.000 0.288 246 L C 1.371 178.284 176.870 0.072 0.000 1.079 246 L CA 0.016 54.903 54.840 0.079 0.000 0.830 246 L CB 1.072 43.191 42.059 0.100 0.000 1.200 246 L HN 0.368 nan 8.230 nan 0.000 0.438 247 Q N 4.457 124.306 119.800 0.081 0.000 2.050 247 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 247 Q C -0.551 175.421 176.000 -0.047 0.000 0.980 247 Q CA 1.521 57.338 55.803 0.025 0.000 0.840 247 Q CB 0.127 28.911 28.738 0.077 0.000 0.898 247 Q HN 0.626 nan 8.270 nan 0.000 0.424 248 Y N 0.758 121.075 120.300 0.029 0.000 2.341 248 Y HA 0.371 4.921 4.550 0.000 0.000 0.337 248 Y C -2.003 173.918 175.900 0.034 0.000 1.014 248 Y CA -2.904 55.212 58.100 0.027 0.000 1.111 248 Y CB 1.234 39.701 38.460 0.012 0.000 1.194 248 Y HN 0.186 nan 8.280 nan 0.000 0.462 249 P HA 0.085 nan 4.420 nan 0.000 0.272 249 P C -0.700 176.628 177.300 0.048 0.000 1.223 249 P CA -0.563 62.587 63.100 0.083 0.000 0.784 249 P CB 0.766 32.491 31.700 0.041 0.000 0.923 250 K N 0.899 121.309 120.400 0.016 0.000 2.118 250 K HA 0.337 4.657 4.320 0.000 0.000 0.267 250 K C -0.612 175.955 176.600 -0.055 0.000 0.991 250 K CA -0.307 55.986 56.287 0.010 0.000 0.916 250 K CB 0.551 33.086 32.500 0.059 0.000 1.041 250 K HN 0.335 nan 8.250 nan 0.000 0.455 251 T N 3.016 117.521 114.554 -0.082 0.000 2.853 251 T HA 0.182 4.532 4.350 0.000 0.000 0.317 251 T C -0.411 174.165 174.700 -0.206 0.000 1.059 251 T CA -0.589 61.426 62.100 -0.141 0.000 0.954 251 T CB 0.666 69.466 68.868 -0.115 0.000 0.994 251 T HN 0.262 nan 8.240 nan 0.000 0.479 252 V N 6.035 125.744 119.914 -0.342 0.000 2.585 252 V HA 0.307 4.427 4.120 0.000 0.000 0.296 252 V C 0.735 176.531 176.094 -0.497 0.000 1.035 252 V CA -0.214 61.809 62.300 -0.462 0.000 1.084 252 V CB -0.022 31.320 31.823 -0.802 0.000 0.953 252 V HN 0.761 nan 8.190 nan 0.000 0.483 253 R N 3.693 124.026 120.500 -0.278 0.000 2.575 253 R HA 0.828 5.168 4.340 0.000 0.000 0.293 253 R C -2.144 174.107 176.300 -0.083 0.000 0.983 253 R CA -0.647 55.332 56.100 -0.201 0.000 0.887 253 R CB 1.948 32.168 30.300 -0.134 0.000 1.184 253 R HN 0.374 nan 8.270 nan 0.000 0.445 254 V N 3.460 123.331 119.914 -0.072 0.000 2.760 254 V HA 0.399 4.519 4.120 0.000 0.000 0.309 254 V C -2.464 173.656 176.094 0.044 0.000 1.077 254 V CA -2.249 60.073 62.300 0.035 0.000 0.910 254 V CB 2.630 34.444 31.823 -0.014 0.000 1.008 254 V HN 0.729 nan 8.190 nan 0.000 0.424 255 P HA 0.271 nan 4.420 nan 0.000 0.271 255 P C -1.491 175.902 177.300 0.155 0.000 1.233 255 P CA 0.174 63.366 63.100 0.153 0.000 0.764 255 P CB -0.069 31.765 31.700 0.223 0.000 0.825 256 Y N 5.800 126.070 120.300 -0.051 0.000 2.287 256 Y HA 0.337 4.887 4.550 0.000 0.000 0.321 256 Y C -2.834 173.033 175.900 -0.055 0.000 1.173 256 Y CA -2.491 55.528 58.100 -0.135 0.000 1.124 256 Y CB 1.810 40.074 38.460 -0.326 0.000 1.201 256 Y HN 0.283 nan 8.280 nan 0.000 0.421 257 P HA 0.289 nan 4.420 nan 0.000 0.288 257 P C -0.838 176.475 177.300 0.022 0.000 1.363 257 P CA -0.226 62.889 63.100 0.025 0.000 0.837 257 P CB 1.237 32.941 31.700 0.007 0.000 0.981 258 K N 1.944 122.457 120.400 0.189 0.000 2.132 258 K HA 0.480 4.800 4.320 0.000 0.000 0.240 258 K C 0.635 177.318 176.600 0.138 0.000 1.036 258 K CA -0.639 55.777 56.287 0.216 0.000 0.888 258 K CB 0.451 33.106 32.500 0.258 0.000 1.071 258 K HN 0.433 nan 8.250 nan 0.000 0.502 259 A N 0.523 123.445 122.820 0.171 0.000 2.524 259 A HA 0.370 4.690 4.320 0.000 0.000 0.250 259 A C 1.117 178.727 177.584 0.042 0.000 1.078 259 A CA 0.760 52.884 52.037 0.146 0.000 0.761 259 A CB -0.902 18.261 19.000 0.272 0.000 1.012 259 A HN 0.866 nan 8.150 nan 0.000 0.500 260 G N 0.921 109.739 108.800 0.030 0.000 2.225 260 G HA2 0.084 4.044 3.960 0.000 0.000 0.254 260 G HA3 0.084 4.044 3.960 0.000 0.000 0.254 260 G C 0.752 175.659 174.900 0.012 0.000 0.988 260 G CA 0.719 45.813 45.100 -0.011 0.000 0.625 260 G HN 2.042 nan 8.290 nan 0.000 0.527 261 A N -0.457 122.386 122.820 0.038 0.000 2.296 261 A HA 0.757 5.077 4.320 0.000 0.000 0.276 261 A C 0.683 178.295 177.584 0.047 0.000 1.356 261 A CA 0.480 52.544 52.037 0.046 0.000 0.825 261 A CB 0.423 19.465 19.000 0.070 0.000 1.308 261 A HN 1.115 nan 8.150 nan 0.000 0.515 262 V N 2.014 121.960 119.914 0.053 0.000 2.406 262 V HA 0.170 4.290 4.120 0.000 0.000 0.272 262 V C -0.047 176.089 176.094 0.070 0.000 1.043 262 V CA -0.579 61.754 62.300 0.055 0.000 0.915 262 V CB 0.467 32.322 31.823 0.055 0.000 0.988 262 V HN 0.746 nan 8.190 nan 0.000 0.466 263 N N 6.254 124.996 118.700 0.070 0.000 2.463 263 N HA 0.450 5.190 4.740 0.000 0.000 0.270 263 N C -2.195 173.393 175.510 0.130 0.000 1.205 263 N CA -1.410 51.701 53.050 0.101 0.000 0.974 263 N CB 0.801 39.343 38.487 0.092 0.000 1.197 263 N HN 0.370 nan 8.380 nan 0.000 0.504 264 P HA 0.064 nan 4.420 nan 0.000 0.273 264 P C -0.396 177.041 177.300 0.230 0.000 1.258 264 P CA 0.065 63.316 63.100 0.251 0.000 0.802 264 P CB 0.226 32.147 31.700 0.367 0.000 1.040 265 T N -4.064 110.628 114.554 0.230 0.000 2.883 265 T HA 0.620 4.970 4.350 0.000 0.000 0.296 265 T C -0.882 173.919 174.700 0.167 0.000 1.117 265 T CA -0.829 61.355 62.100 0.140 0.000 1.006 265 T CB 1.447 70.366 68.868 0.084 0.000 1.191 265 T HN 0.354 nan 8.240 nan 0.000 0.508 266 V N 0.335 120.300 119.914 0.085 0.000 3.007 266 V HA 0.855 4.975 4.120 0.000 0.000 0.311 266 V C -1.662 174.454 176.094 0.037 0.000 1.120 266 V CA -0.761 61.544 62.300 0.009 0.000 0.980 266 V CB 2.166 34.011 31.823 0.037 0.000 1.033 266 V HN 1.110 nan 8.190 nan 0.000 0.429 267 K N 3.687 124.054 120.400 -0.054 0.000 2.512 267 K HA 0.595 4.915 4.320 0.000 0.000 0.263 267 K C -2.086 174.392 176.600 -0.203 0.000 0.966 267 K CA -0.485 55.747 56.287 -0.092 0.000 0.851 267 K CB 2.785 35.206 32.500 -0.132 0.000 1.395 267 K HN 0.545 nan 8.250 nan 0.000 0.440 268 F N 2.172 121.767 119.950 -0.591 0.000 2.539 268 F HA 0.555 5.082 4.527 0.000 0.000 0.318 268 F C -1.607 173.637 175.800 -0.926 0.000 1.135 268 F CA -0.581 57.082 58.000 -0.561 0.000 0.915 268 F CB 0.853 39.698 39.000 -0.258 0.000 1.176 268 F HN 0.373 nan 8.300 nan 0.000 0.440 269 F N 4.201 123.513 119.950 -1.064 0.000 2.593 269 F HA 0.799 5.326 4.527 0.000 0.000 0.320 269 F C -0.872 174.352 175.800 -0.958 0.000 1.060 269 F CA -1.256 56.207 58.000 -0.895 0.000 0.940 269 F CB 2.012 40.380 39.000 -1.052 0.000 1.268 269 F HN 0.103 nan 8.300 nan 0.000 0.475 270 V N 2.224 121.959 119.914 -0.297 0.000 2.709 270 V HA 0.655 4.775 4.120 0.000 0.000 0.308 270 V C -1.088 175.076 176.094 0.117 0.000 1.062 270 V CA -0.825 61.355 62.300 -0.199 0.000 0.901 270 V CB 2.044 33.551 31.823 -0.527 0.000 1.003 270 V HN 0.613 nan 8.190 nan 0.000 0.425 271 V N 3.787 123.843 119.914 0.237 0.000 2.914 271 V HA 0.538 4.658 4.120 0.000 0.000 0.314 271 V C -0.408 175.900 176.094 0.356 0.000 1.084 271 V CA -0.718 61.754 62.300 0.285 0.000 0.963 271 V CB 2.280 34.223 31.823 0.200 0.000 1.025 271 V HN 1.010 nan 8.190 nan 0.000 0.432 272 N N 1.951 120.807 118.700 0.261 0.000 2.457 272 N HA 0.236 4.976 4.740 0.000 0.000 0.250 272 N C 1.018 176.506 175.510 -0.037 0.000 0.982 272 N CA 0.287 53.363 53.050 0.045 0.000 0.941 272 N CB 1.453 39.935 38.487 -0.008 0.000 1.120 272 N HN 0.855 nan 8.380 nan 0.000 0.505 273 T N 0.126 114.643 114.554 -0.063 0.000 3.043 273 T HA -0.020 4.330 4.350 0.000 0.000 0.263 273 T C 0.889 175.515 174.700 -0.124 0.000 1.094 273 T CA 0.668 62.733 62.100 -0.058 0.000 1.127 273 T CB 0.073 68.996 68.868 0.092 0.000 0.905 273 T HN 0.376 nan 8.240 nan 0.000 0.490 274 D N 2.657 122.971 120.400 -0.144 0.000 2.144 274 D HA -0.044 4.596 4.640 0.000 0.000 0.200 274 D C 1.806 178.041 176.300 -0.109 0.000 0.978 274 D CA 1.538 55.459 54.000 -0.131 0.000 0.833 274 D CB -0.304 40.406 40.800 -0.150 0.000 0.961 274 D HN 0.649 nan 8.370 nan 0.000 0.470 275 S N 0.185 115.828 115.700 -0.095 0.000 2.667 275 S HA 0.236 4.706 4.470 0.000 0.000 0.251 275 S C 0.573 175.142 174.600 -0.052 0.000 1.075 275 S CA -0.449 57.722 58.200 -0.049 0.000 1.130 275 S CB -0.552 62.641 63.200 -0.010 0.000 0.795 275 S HN 0.062 nan 8.310 nan 0.000 0.462 276 L N 1.452 122.588 121.223 -0.145 0.000 2.305 276 L HA 0.349 4.689 4.340 0.000 0.000 0.281 276 L C 1.479 178.343 176.870 -0.010 0.000 1.085 276 L CA -0.441 54.275 54.840 -0.207 0.000 0.813 276 L CB 1.489 43.132 42.059 -0.694 0.000 1.157 276 L HN 0.383 nan 8.230 nan 0.000 0.436 277 S N 1.379 117.191 115.700 0.187 0.000 2.398 277 S HA -0.093 4.377 4.470 0.000 0.000 0.220 277 S C 1.333 176.125 174.600 0.321 0.000 1.046 277 S CA 0.885 59.221 58.200 0.227 0.000 0.953 277 S CB 0.077 63.365 63.200 0.147 0.000 0.856 277 S HN 0.989 nan 8.310 nan 0.000 0.506 278 S N -1.288 114.615 115.700 0.338 0.000 3.084 278 S HA -0.137 4.333 4.470 0.000 0.000 0.277 278 S C 0.640 175.282 174.600 0.071 0.000 1.295 278 S CA 1.052 59.307 58.200 0.093 0.000 1.170 278 S CB -2.133 61.046 63.200 -0.035 0.000 1.412 278 S HN 0.669 nan 8.310 nan 0.000 0.669 279 V N -0.075 119.898 119.914 0.098 0.000 3.426 279 V HA 0.360 4.480 4.120 0.000 0.000 0.271 279 V C 0.698 176.829 176.094 0.062 0.000 1.530 279 V CA 0.870 63.209 62.300 0.065 0.000 1.021 279 V CB 1.024 32.882 31.823 0.059 0.000 0.824 279 V HN 0.676 nan 8.190 nan 0.000 0.432 280 T N 0.882 115.488 114.554 0.087 0.000 2.893 280 T HA 0.421 4.771 4.350 0.000 0.000 0.293 280 T C -0.502 174.263 174.700 0.109 0.000 1.027 280 T CA -0.563 61.580 62.100 0.072 0.000 0.988 280 T CB 1.821 70.727 68.868 0.063 0.000 1.043 280 T HN 0.034 nan 8.240 nan 0.000 0.461 281 N N 1.391 120.140 118.700 0.081 0.000 2.374 281 N HA 0.332 5.072 4.740 0.000 0.000 0.241 281 N C 0.296 175.880 175.510 0.124 0.000 1.262 281 N CA 0.004 53.134 53.050 0.134 0.000 0.880 281 N CB 0.413 38.908 38.487 0.014 0.000 1.105 281 N HN 0.866 nan 8.380 nan 0.000 0.438 282 A N 0.846 123.755 122.820 0.148 0.000 2.259 282 A HA 0.474 4.794 4.320 0.000 0.000 0.278 282 A C -0.061 177.579 177.584 0.094 0.000 1.107 282 A CA -0.307 51.794 52.037 0.107 0.000 0.828 282 A CB 0.225 19.277 19.000 0.087 0.000 1.111 282 A HN 0.572 nan 8.150 nan 0.000 0.498 283 T N 1.503 116.119 114.554 0.103 0.000 2.821 283 T HA 0.428 4.778 4.350 0.000 0.000 0.307 283 T C -0.037 174.752 174.700 0.149 0.000 1.034 283 T CA -0.192 61.978 62.100 0.116 0.000 0.953 283 T CB 0.743 69.690 68.868 0.130 0.000 0.968 283 T HN 0.462 nan 8.240 nan 0.000 0.462 284 S N 3.687 119.460 115.700 0.122 0.000 2.548 284 S HA 0.378 4.848 4.470 0.000 0.000 0.277 284 S C 0.408 175.153 174.600 0.241 0.000 1.315 284 S CA -0.725 57.569 58.200 0.156 0.000 1.050 284 S CB 0.100 63.288 63.200 -0.021 0.000 0.918 284 S HN 0.499 nan 8.310 nan 0.000 0.497 285 I N 3.132 123.875 120.570 0.288 0.000 2.339 285 I HA 0.351 4.521 4.170 0.000 0.000 0.290 285 I C 0.436 176.703 176.117 0.250 0.000 0.994 285 I CA -0.551 60.927 61.300 0.297 0.000 1.191 285 I CB 0.717 38.947 38.000 0.383 0.000 1.343 285 I HN 0.638 nan 8.210 nan 0.000 0.458 286 Q N 5.305 125.234 119.800 0.216 0.000 2.417 286 Q HA 0.487 4.827 4.340 0.000 0.000 0.241 286 Q C -1.170 174.796 176.000 -0.056 0.000 1.008 286 Q CA -0.177 55.549 55.803 -0.127 0.000 0.901 286 Q CB 1.439 30.075 28.738 -0.170 0.000 1.259 286 Q HN 0.626 nan 8.270 nan 0.000 0.489 287 I N 3.016 123.526 120.570 -0.100 0.000 2.439 287 I HA 0.165 4.335 4.170 0.000 0.000 0.283 287 I C 0.181 176.274 176.117 -0.040 0.000 1.023 287 I CA -0.678 60.621 61.300 -0.002 0.000 1.100 287 I CB 1.854 39.889 38.000 0.057 0.000 1.238 287 I HN 0.726 nan 8.210 nan 0.000 0.445 288 T N 3.054 117.552 114.554 -0.095 0.000 2.860 288 T HA 0.570 4.920 4.350 0.000 0.000 0.299 288 T C 0.437 174.911 174.700 -0.378 0.000 1.045 288 T CA -0.680 61.302 62.100 -0.198 0.000 1.071 288 T CB 1.397 70.156 68.868 -0.181 0.000 0.985 288 T HN 0.588 nan 8.240 nan 0.000 0.537 289 A N 2.954 125.329 122.820 -0.741 0.000 2.386 289 A HA 0.586 4.906 4.320 0.000 0.000 0.248 289 A C -1.972 175.120 177.584 -0.820 0.000 1.082 289 A CA -1.589 49.566 52.037 -1.471 0.000 0.789 289 A CB -0.930 16.973 19.000 -1.828 0.000 1.025 289 A HN 0.771 nan 8.150 nan 0.000 0.490 290 P HA -0.041 nan 4.420 nan 0.000 0.271 290 P C 0.853 177.941 177.300 -0.353 0.000 1.212 290 P CA 1.053 63.914 63.100 -0.399 0.000 0.788 290 P CB 0.399 31.921 31.700 -0.297 0.000 0.865 291 A N 1.397 124.081 122.820 -0.226 0.000 1.929 291 A HA -0.135 4.185 4.320 0.000 0.000 0.216 291 A C 2.003 179.476 177.584 -0.185 0.000 1.176 291 A CA 1.889 53.809 52.037 -0.195 0.000 0.628 291 A CB -1.582 17.337 19.000 -0.134 0.000 0.816 291 A HN 0.587 nan 8.150 nan 0.000 0.444 292 S N -0.434 115.186 115.700 -0.134 0.000 2.469 292 S HA -0.103 4.367 4.470 0.000 0.000 0.238 292 S C 1.661 176.186 174.600 -0.126 0.000 0.998 292 S CA 1.421 59.564 58.200 -0.095 0.000 0.957 292 S CB -0.277 62.957 63.200 0.057 0.000 0.764 292 S HN 0.434 nan 8.310 nan 0.000 0.514 293 M N 0.818 120.279 119.600 -0.231 0.000 2.447 293 M HA 0.328 4.808 4.480 0.000 0.000 0.266 293 M C 1.904 177.888 176.300 -0.528 0.000 1.120 293 M CA 0.804 55.893 55.300 -0.351 0.000 1.166 293 M CB -1.157 31.139 32.600 -0.508 0.000 1.349 293 M HN 0.307 nan 8.290 nan 0.000 0.463 294 L N 1.000 121.915 121.223 -0.513 0.000 2.376 294 L HA -0.109 4.231 4.340 0.000 0.000 0.219 294 L C 2.029 178.770 176.870 -0.215 0.000 1.133 294 L CA 0.236 54.825 54.840 -0.419 0.000 0.816 294 L CB -0.913 40.952 42.059 -0.323 0.000 0.933 294 L HN 0.269 nan 8.230 nan 0.000 0.449 295 I N -1.683 118.775 120.570 -0.185 0.000 3.102 295 I HA 0.133 4.303 4.170 0.000 0.000 0.278 295 I C 0.924 176.988 176.117 -0.088 0.000 1.316 295 I CA 0.289 61.515 61.300 -0.123 0.000 1.425 295 I CB -1.237 36.688 38.000 -0.124 0.000 1.073 295 I HN 0.076 nan 8.210 nan 0.000 0.503 296 G N -0.955 107.798 108.800 -0.078 0.000 2.340 296 G HA2 0.202 4.162 3.960 0.000 0.000 0.299 296 G HA3 0.202 4.162 3.960 0.000 0.000 0.299 296 G C -1.855 173.089 174.900 0.074 0.000 1.291 296 G CA -0.810 44.279 45.100 -0.018 0.000 0.841 296 G HN -0.001 nan 8.290 nan 0.000 0.500 297 D N 1.387 121.816 120.400 0.049 0.000 2.472 297 D HA 0.446 5.086 4.640 0.000 0.000 0.237 297 D C 0.495 176.821 176.300 0.044 0.000 1.141 297 D CA 0.964 54.980 54.000 0.026 0.000 0.875 297 D CB 0.337 41.084 40.800 -0.088 0.000 1.192 297 D HN 0.597 nan 8.370 nan 0.000 0.450 298 H N -0.683 118.248 119.070 -0.231 0.000 2.948 298 H HA 0.450 5.006 4.556 0.000 0.000 0.315 298 H C -1.481 173.720 175.328 -0.211 0.000 1.360 298 H CA -0.829 55.094 56.048 -0.207 0.000 1.125 298 H CB 0.220 29.988 29.762 0.012 0.000 1.844 298 H HN 0.309 nan 8.280 nan 0.000 0.529 299 Y N 0.139 120.621 120.300 0.303 0.000 2.492 299 Y HA 0.394 4.944 4.550 0.000 0.000 0.346 299 Y C -0.344 175.759 175.900 0.338 0.000 0.997 299 Y CA -1.077 57.193 58.100 0.283 0.000 1.025 299 Y CB 2.135 40.638 38.460 0.071 0.000 1.263 299 Y HN 0.523 nan 8.280 nan 0.000 0.454 300 L N 3.588 125.077 121.223 0.443 0.000 2.290 300 L HA 0.452 4.792 4.340 0.000 0.000 0.284 300 L C 0.382 177.269 176.870 0.028 0.000 1.078 300 L CA -0.057 54.714 54.840 -0.115 0.000 0.815 300 L CB 0.432 42.316 42.059 -0.291 0.000 1.162 300 L HN 1.003 nan 8.230 nan 0.000 0.435 301 C N 0.686 119.867 119.300 -0.199 0.000 3.882 301 C HA 0.599 5.059 4.460 0.000 0.000 0.340 301 C C 0.042 174.899 174.990 -0.221 0.000 1.563 301 C CA -0.182 58.650 59.018 -0.310 0.000 1.870 301 C CB -1.079 26.528 27.740 -0.221 0.000 2.795 301 C HN 0.868 nan 8.230 nan 0.000 0.692 302 D N 0.443 120.729 120.400 -0.191 0.000 2.837 302 D HA 0.539 5.179 4.640 0.000 0.000 0.220 302 D C -1.078 174.988 176.300 -0.391 0.000 1.236 302 D CA -0.191 53.725 54.000 -0.139 0.000 0.838 302 D CB 2.492 43.196 40.800 -0.161 0.000 1.647 302 D HN 0.573 nan 8.370 nan 0.000 0.486 303 V N 0.416 120.026 119.914 -0.507 0.000 2.638 303 V HA 0.910 5.030 4.120 0.000 0.000 0.306 303 V C -1.279 174.466 176.094 -0.581 0.000 1.052 303 V CA -0.231 61.591 62.300 -0.797 0.000 0.885 303 V CB 1.905 32.935 31.823 -1.322 0.000 0.999 303 V HN 0.610 nan 8.190 nan 0.000 0.424 304 T N 5.289 119.573 114.554 -0.451 0.000 3.011 304 T HA 0.427 4.777 4.350 0.000 0.000 0.303 304 T C -0.970 173.612 174.700 -0.196 0.000 0.997 304 T CA -0.119 61.862 62.100 -0.199 0.000 1.007 304 T CB 0.915 69.733 68.868 -0.083 0.000 1.017 304 T HN 0.811 nan 8.240 nan 0.000 0.443 305 W N 1.965 123.225 121.300 -0.068 0.000 2.190 305 W HA 0.486 5.146 4.660 0.000 0.000 0.330 305 W C 1.074 177.519 176.519 -0.124 0.000 1.299 305 W CA -0.170 57.134 57.345 -0.068 0.000 1.215 305 W CB 0.628 30.115 29.460 0.046 0.000 1.147 305 W HN 0.844 nan 8.180 nan 0.000 0.563 306 A N 1.577 124.360 122.820 -0.062 0.000 1.988 306 A HA 0.233 4.553 4.320 0.000 0.000 0.201 306 A C 0.789 178.329 177.584 -0.073 0.000 1.410 306 A CA 1.292 53.056 52.037 -0.454 0.000 0.832 306 A CB -0.292 17.825 19.000 -1.471 0.000 0.981 306 A HN 0.507 nan 8.150 nan 0.000 0.492 307 T N -5.138 109.462 114.554 0.077 0.000 2.669 307 T HA 0.357 4.707 4.350 0.000 0.000 0.283 307 T C 0.223 175.082 174.700 0.265 0.000 1.019 307 T CA -0.341 61.852 62.100 0.154 0.000 1.039 307 T CB 0.780 69.717 68.868 0.115 0.000 1.374 307 T HN -0.044 nan 8.240 nan 0.000 0.523 308 Q N 0.380 120.306 119.800 0.209 0.000 2.291 308 Q HA 0.022 4.362 4.340 0.000 0.000 0.206 308 Q C 0.770 177.000 176.000 0.382 0.000 0.976 308 Q CA 1.435 57.367 55.803 0.215 0.000 0.875 308 Q CB -0.060 28.773 28.738 0.158 0.000 0.927 308 Q HN 0.831 nan 8.270 nan 0.000 0.450 309 E N -0.264 120.174 120.200 0.397 0.000 2.921 309 E HA 0.209 4.559 4.350 0.000 0.000 0.203 309 E C -0.217 176.650 176.600 0.444 0.000 0.975 309 E CA -0.175 56.492 56.400 0.444 0.000 1.225 309 E CB 1.097 30.962 29.700 0.276 0.000 1.048 309 E HN -0.035 nan 8.360 nan 0.000 0.477 310 R N 1.650 122.413 120.500 0.439 0.000 2.575 310 R HA 0.589 4.929 4.340 0.000 0.000 0.293 310 R C -1.650 174.668 176.300 0.031 0.000 0.983 310 R CA -0.464 55.767 56.100 0.218 0.000 0.887 310 R CB 1.487 31.802 30.300 0.026 0.000 1.184 310 R HN 0.080 nan 8.270 nan 0.000 0.445 311 I N 2.791 123.225 120.570 -0.227 0.000 2.686 311 I HA 0.399 4.569 4.170 0.000 0.000 0.295 311 I C -1.208 174.612 176.117 -0.494 0.000 1.114 311 I CA -0.488 60.415 61.300 -0.661 0.000 1.038 311 I CB 2.356 39.546 38.000 -1.350 0.000 1.238 311 I HN 0.838 nan 8.210 nan 0.000 0.420 312 S N 7.421 122.818 115.700 -0.504 0.000 2.473 312 S HA 0.777 5.247 4.470 0.000 0.000 0.307 312 S C -1.273 173.038 174.600 -0.481 0.000 1.094 312 S CA -0.667 57.313 58.200 -0.366 0.000 1.070 312 S CB 1.719 64.811 63.200 -0.180 0.000 1.019 312 S HN 0.399 nan 8.310 nan 0.000 0.480 313 L N 2.351 123.302 121.223 -0.454 0.000 2.354 313 L HA 0.595 4.935 4.340 0.000 0.000 0.269 313 L C -0.175 176.424 176.870 -0.451 0.000 1.005 313 L CA -0.251 54.221 54.840 -0.614 0.000 0.819 313 L CB 1.860 43.486 42.059 -0.721 0.000 1.311 313 L HN 0.827 nan 8.230 nan 0.000 0.423 314 Q N 1.394 120.864 119.800 -0.549 0.000 2.309 314 Q HA 0.394 4.734 4.340 0.000 0.000 0.270 314 Q C -1.670 174.092 176.000 -0.396 0.000 1.023 314 Q CA -0.444 55.160 55.803 -0.333 0.000 0.758 314 Q CB 1.891 30.488 28.738 -0.234 0.000 1.247 314 Q HN 0.488 nan 8.270 nan 0.000 0.455 315 W N 2.583 123.841 121.300 -0.070 0.000 2.509 315 W HA 0.664 5.324 4.660 0.000 0.000 0.351 315 W C -0.657 175.894 176.519 0.054 0.000 1.107 315 W CA -0.641 56.715 57.345 0.018 0.000 1.264 315 W CB 0.987 30.458 29.460 0.018 0.000 1.312 315 W HN 0.398 nan 8.180 nan 0.000 0.608 316 L N 1.954 123.409 121.223 0.386 0.000 2.464 316 L HA 0.534 4.874 4.340 0.000 0.000 0.266 316 L C -0.407 176.657 176.870 0.322 0.000 0.965 316 L CA -1.108 53.910 54.840 0.297 0.000 0.833 316 L CB 1.481 43.685 42.059 0.241 0.000 1.296 316 L HN 0.415 nan 8.230 nan 0.000 0.405 317 R N 2.633 123.284 120.500 0.252 0.000 2.641 317 R HA 0.301 4.641 4.340 0.000 0.000 0.269 317 R C 1.055 177.424 176.300 0.115 0.000 1.074 317 R CA -0.305 55.894 56.100 0.165 0.000 1.133 317 R CB 0.666 31.053 30.300 0.145 0.000 1.029 317 R HN 0.661 nan 8.270 nan 0.000 0.488 318 R N 1.489 121.971 120.500 -0.029 0.000 2.105 318 R HA -0.087 4.253 4.340 0.000 0.000 0.239 318 R C 0.374 176.729 176.300 0.091 0.000 1.135 318 R CA 1.169 57.234 56.100 -0.059 0.000 0.967 318 R CB 0.149 30.373 30.300 -0.128 0.000 0.861 318 R HN 0.415 nan 8.270 nan 0.000 0.442 319 I N 2.786 123.392 120.570 0.059 0.000 2.347 319 I HA -0.002 4.168 4.170 0.000 0.000 0.294 319 I C 0.446 176.618 176.117 0.093 0.000 1.090 319 I CA 0.520 61.855 61.300 0.059 0.000 1.314 319 I CB 1.124 39.144 38.000 0.032 0.000 1.423 319 I HN 0.257 nan 8.210 nan 0.000 0.503 320 Q N 4.473 124.324 119.800 0.085 0.000 2.259 320 Q HA -0.023 4.317 4.340 0.000 0.000 0.228 320 Q C 0.534 176.603 176.000 0.115 0.000 0.909 320 Q CA 0.041 55.907 55.803 0.104 0.000 0.948 320 Q CB -0.179 28.580 28.738 0.036 0.000 1.041 320 Q HN 0.625 nan 8.270 nan 0.000 0.445 321 N N -0.730 118.039 118.700 0.115 0.000 2.234 321 N HA -0.018 4.722 4.740 0.000 0.000 0.227 321 N C -1.075 174.531 175.510 0.161 0.000 1.151 321 N CA -0.212 52.897 53.050 0.099 0.000 0.865 321 N CB 0.242 38.763 38.487 0.056 0.000 1.066 321 N HN 0.169 nan 8.380 nan 0.000 0.515 322 Y N 0.748 121.068 120.300 0.032 0.000 2.399 322 Y HA 0.526 5.076 4.550 0.000 0.000 0.327 322 Y C -1.228 174.702 175.900 0.049 0.000 1.111 322 Y CA -0.795 57.322 58.100 0.029 0.000 1.047 322 Y CB 1.434 39.903 38.460 0.015 0.000 1.259 322 Y HN 0.163 nan 8.280 nan 0.000 0.434 323 S N 4.243 119.785 115.700 -0.264 0.000 2.618 323 S HA 0.929 5.399 4.470 0.000 0.000 0.277 323 S C -2.207 172.259 174.600 -0.222 0.000 1.138 323 S CA -0.685 57.452 58.200 -0.105 0.000 0.844 323 S CB 1.974 65.159 63.200 -0.024 0.000 1.127 323 S HN 0.552 nan 8.310 nan 0.000 0.474 324 V N 2.507 122.399 119.914 -0.036 0.000 2.668 324 V HA 0.512 4.632 4.120 0.000 0.000 0.304 324 V C -0.635 175.489 176.094 0.050 0.000 1.071 324 V CA -0.575 61.714 62.300 -0.019 0.000 0.894 324 V CB 1.854 33.700 31.823 0.038 0.000 1.008 324 V HN 1.033 nan 8.190 nan 0.000 0.425 325 M N 3.689 123.291 119.600 0.004 0.000 2.238 325 M HA 0.540 5.020 4.480 0.000 0.000 0.350 325 M C -1.149 175.170 176.300 0.031 0.000 1.138 325 M CA -0.195 55.095 55.300 -0.017 0.000 1.040 325 M CB 1.237 33.778 32.600 -0.099 0.000 1.639 325 M HN 0.634 nan 8.290 nan 0.000 0.451 326 D N 4.346 124.759 120.400 0.021 0.000 2.272 326 D HA 0.607 5.247 4.640 0.000 0.000 0.247 326 D C -1.162 175.114 176.300 -0.041 0.000 0.990 326 D CA -0.101 53.906 54.000 0.011 0.000 0.931 326 D CB 1.886 42.711 40.800 0.041 0.000 1.195 326 D HN 0.595 nan 8.370 nan 0.000 0.477 327 I N 1.584 122.146 120.570 -0.013 0.000 2.468 327 I HA 0.254 4.424 4.170 0.000 0.000 0.285 327 I C -0.832 175.281 176.117 -0.007 0.000 1.039 327 I CA -0.536 60.748 61.300 -0.027 0.000 1.074 327 I CB 1.581 39.611 38.000 0.051 0.000 1.228 327 I HN 0.176 nan 8.210 nan 0.000 0.436 328 c N 3.739 122.327 118.600 -0.019 0.000 2.417 328 c HA 0.577 5.147 4.570 0.000 0.000 0.324 328 c C -0.311 173.912 174.090 0.223 0.000 1.240 328 c CA -0.659 55.731 56.329 0.101 0.000 1.632 328 c CB 1.160 43.752 42.510 0.137 0.000 2.241 328 c HN 0.569 nan 8.230 nan 0.000 0.499 329 D N 0.292 120.795 120.400 0.172 0.000 2.252 329 D HA 0.302 4.942 4.640 0.000 0.000 0.245 329 D C -0.582 175.606 176.300 -0.188 0.000 1.009 329 D CA -0.238 53.805 54.000 0.073 0.000 0.870 329 D CB 0.876 41.676 40.800 0.000 0.000 1.251 329 D HN 0.551 nan 8.370 nan 0.000 0.460 330 Y N 1.492 121.342 120.300 -0.750 0.000 2.526 330 Y HA 0.146 4.696 4.550 0.000 0.000 0.330 330 Y C 0.065 175.638 175.900 -0.545 0.000 1.156 330 Y CA -0.093 57.254 58.100 -1.254 0.000 1.419 330 Y CB 0.585 38.380 38.460 -1.109 0.000 1.250 330 Y HN 0.149 nan 8.280 nan 0.000 0.540 331 D N 5.398 125.144 120.400 -1.091 0.000 2.505 331 D HA 0.083 4.723 4.640 0.000 0.000 0.242 331 D C 1.062 176.817 176.300 -0.909 0.000 1.136 331 D CA -0.157 53.411 54.000 -0.720 0.000 0.954 331 D CB 0.341 40.898 40.800 -0.405 0.000 1.002 331 D HN 0.757 nan 8.370 nan 0.000 0.512 332 E N 1.613 121.323 120.200 -0.817 0.000 2.276 332 E HA -0.336 4.014 4.350 0.000 0.000 0.226 332 E C 1.467 177.901 176.600 -0.277 0.000 1.090 332 E CA 2.262 58.394 56.400 -0.446 0.000 0.930 332 E CB -0.189 29.402 29.700 -0.181 0.000 0.791 332 E HN 0.436 nan 8.360 nan 0.000 0.467 333 S N -0.936 114.623 115.700 -0.234 0.000 2.326 333 S HA -0.144 4.326 4.470 0.000 0.000 0.211 333 S C 2.125 176.651 174.600 -0.123 0.000 1.031 333 S CA 2.157 60.276 58.200 -0.134 0.000 0.985 333 S CB -0.926 62.212 63.200 -0.104 0.000 0.961 333 S HN 0.397 nan 8.310 nan 0.000 0.436 334 S N 0.256 115.871 115.700 -0.142 0.000 2.555 334 S HA 0.309 4.779 4.470 0.000 0.000 0.230 334 S C 1.614 176.181 174.600 -0.055 0.000 0.978 334 S CA 0.794 58.945 58.200 -0.081 0.000 0.934 334 S CB -0.964 62.195 63.200 -0.068 0.000 0.766 334 S HN 1.849 nan 8.310 nan 0.000 0.533 335 G N 1.236 109.954 108.800 -0.136 0.000 2.198 335 G HA2 -0.263 3.697 3.960 0.000 0.000 0.260 335 G HA3 -0.263 3.697 3.960 0.000 0.000 0.260 335 G C 0.123 175.095 174.900 0.120 0.000 1.025 335 G CA 0.394 45.512 45.100 0.029 0.000 0.769 335 G HN 0.614 nan 8.290 nan 0.000 0.507 336 R N -2.168 118.287 120.500 -0.075 0.000 3.055 336 R HA 0.736 5.076 4.340 0.000 0.000 0.231 336 R C -0.848 175.377 176.300 -0.126 0.000 1.443 336 R CA -0.872 55.269 56.100 0.067 0.000 1.063 336 R CB 0.879 31.218 30.300 0.066 0.000 1.514 336 R HN 0.151 nan 8.270 nan 0.000 0.510 337 W N 0.242 121.576 121.300 0.056 0.000 2.702 337 W HA 0.422 5.082 4.660 0.000 0.000 0.331 337 W C -0.209 176.302 176.519 -0.014 0.000 1.049 337 W CA -0.391 56.972 57.345 0.031 0.000 1.230 337 W CB 1.259 30.734 29.460 0.024 0.000 1.408 337 W HN 0.268 nan 8.180 nan 0.000 0.492 338 N N 2.511 121.297 118.700 0.143 0.000 2.295 338 N HA 0.614 5.354 4.740 0.000 0.000 0.293 338 N C -1.779 173.764 175.510 0.055 0.000 1.040 338 N CA -0.295 52.787 53.050 0.053 0.000 0.840 338 N CB 1.386 39.858 38.487 -0.024 0.000 1.468 338 N HN 0.491 nan 8.380 nan 0.000 0.478 339 c N 2.852 121.470 118.600 0.030 0.000 2.609 339 c HA 0.627 5.197 4.570 0.000 0.000 0.313 339 c C -0.773 173.313 174.090 -0.006 0.000 1.175 339 c CA -1.091 55.246 56.329 0.015 0.000 1.434 339 c CB 0.257 42.771 42.510 0.007 0.000 2.005 339 c HN 0.558 nan 8.230 nan 0.000 0.471 340 L N 2.334 123.552 121.223 -0.008 0.000 2.294 340 L HA 0.418 4.758 4.340 0.000 0.000 0.283 340 L C 1.148 178.000 176.870 -0.030 0.000 1.015 340 L CA -0.235 54.593 54.840 -0.019 0.000 0.831 340 L CB 0.667 42.717 42.059 -0.014 0.000 1.217 340 L HN 0.602 nan 8.230 nan 0.000 0.420 341 V N 1.844 121.735 119.914 -0.039 0.000 2.467 341 V HA -0.417 3.703 4.120 0.000 0.000 0.266 341 V C 2.304 178.362 176.094 -0.061 0.000 1.124 341 V CA 2.400 64.670 62.300 -0.049 0.000 1.121 341 V CB -1.070 30.725 31.823 -0.047 0.000 0.695 341 V HN 1.003 nan 8.190 nan 0.000 0.466 342 A N -0.763 122.026 122.820 -0.052 0.000 2.167 342 A HA -0.052 4.268 4.320 0.000 0.000 0.214 342 A C 2.249 179.787 177.584 -0.076 0.000 1.151 342 A CA 1.024 53.024 52.037 -0.061 0.000 0.735 342 A CB -0.343 18.634 19.000 -0.039 0.000 0.802 342 A HN 0.533 nan 8.150 nan 0.000 0.467 343 R N -0.298 120.170 120.500 -0.053 0.000 2.334 343 R HA 0.151 4.491 4.340 0.000 0.000 0.216 343 R C 0.262 176.509 176.300 -0.088 0.000 0.905 343 R CA -0.106 55.980 56.100 -0.024 0.000 1.064 343 R CB 0.161 30.499 30.300 0.064 0.000 1.046 343 R HN 0.629 nan 8.270 nan 0.000 0.508 344 Q N -0.170 119.536 119.800 -0.155 0.000 2.492 344 Q HA 0.067 4.407 4.340 0.000 0.000 0.238 344 Q C -0.717 175.024 176.000 -0.431 0.000 1.045 344 Q CA 0.531 56.242 55.803 -0.153 0.000 0.934 344 Q CB 0.690 29.374 28.738 -0.090 0.000 1.276 344 Q HN 0.256 nan 8.270 nan 0.000 0.521 345 H N 0.090 119.127 119.070 -0.055 0.000 3.021 345 H HA 0.264 4.820 4.556 0.000 0.000 0.293 345 H C -1.113 174.145 175.328 -0.115 0.000 1.244 345 H CA -0.367 55.634 56.048 -0.077 0.000 1.596 345 H CB 0.343 30.013 29.762 -0.152 0.000 1.720 345 H HN 0.370 nan 8.280 nan 0.000 0.537 346 I N 1.751 122.290 120.570 -0.053 0.000 2.836 346 I HA 0.105 4.275 4.170 0.000 0.000 0.285 346 I C 0.421 176.459 176.117 -0.132 0.000 1.174 346 I CA 0.482 61.679 61.300 -0.171 0.000 1.405 346 I CB 0.561 38.451 38.000 -0.183 0.000 1.385 346 I HN 0.617 nan 8.210 nan 0.000 0.594 347 E N 6.237 126.294 120.200 -0.238 0.000 2.311 347 E HA 0.614 4.964 4.350 0.000 0.000 0.281 347 E C -1.383 175.110 176.600 -0.178 0.000 0.905 347 E CA -0.650 55.672 56.400 -0.130 0.000 0.778 347 E CB 1.155 30.805 29.700 -0.084 0.000 1.240 347 E HN 0.567 nan 8.360 nan 0.000 0.410 348 M N 1.039 120.590 119.600 -0.081 0.000 2.683 348 M HA 0.706 5.186 4.480 0.000 0.000 0.274 348 M C -1.338 174.961 176.300 -0.002 0.000 1.272 348 M CA -0.894 54.388 55.300 -0.030 0.000 0.833 348 M CB 2.207 34.829 32.600 0.037 0.000 1.708 348 M HN 0.287 nan 8.290 nan 0.000 0.463 349 S N -0.976 114.726 115.700 0.004 0.000 2.588 349 S HA 0.757 5.227 4.470 0.000 0.000 0.275 349 S C -0.185 174.398 174.600 -0.028 0.000 1.130 349 S CA 0.157 58.338 58.200 -0.032 0.000 0.855 349 S CB 2.104 65.241 63.200 -0.105 0.000 1.116 349 S HN 0.921 nan 8.310 nan 0.000 0.472 350 T N -0.648 113.882 114.554 -0.040 0.000 2.975 350 T HA 0.132 4.482 4.350 0.000 0.000 0.261 350 T C 1.330 175.993 174.700 -0.061 0.000 0.984 350 T CA 0.560 62.639 62.100 -0.036 0.000 0.911 350 T CB -0.251 68.610 68.868 -0.011 0.000 1.127 350 T HN 0.610 nan 8.240 nan 0.000 0.514 351 T N 0.085 114.589 114.554 -0.085 0.000 3.014 351 T HA 0.512 4.862 4.350 0.000 0.000 0.263 351 T C 1.349 175.858 174.700 -0.318 0.000 1.078 351 T CA 0.629 62.674 62.100 -0.091 0.000 1.135 351 T CB 0.132 69.034 68.868 0.056 0.000 0.895 351 T HN 0.624 nan 8.240 nan 0.000 0.480 352 G N 0.528 108.965 108.800 -0.605 0.000 2.929 352 G HA2 0.473 4.433 3.960 0.000 0.000 0.123 352 G HA3 0.473 4.433 3.960 0.000 0.000 0.123 352 G C -1.764 172.887 174.900 -0.414 0.000 1.212 352 G CA -0.492 44.152 45.100 -0.759 0.000 1.238 352 G HN 0.484 nan 8.290 nan 0.000 0.617 353 W N 0.243 121.264 121.300 -0.465 0.000 2.655 353 W HA 0.789 5.449 4.660 0.000 0.000 0.358 353 W C -0.542 175.912 176.519 -0.107 0.000 1.100 353 W CA -1.431 55.781 57.345 -0.222 0.000 1.195 353 W CB 1.221 30.538 29.460 -0.237 0.000 1.403 353 W HN 0.278 nan 8.180 nan 0.000 0.589 354 V N 3.799 123.778 119.914 0.108 0.000 2.488 354 V HA 0.633 4.753 4.120 0.000 0.000 0.277 354 V C 0.854 177.025 176.094 0.128 0.000 1.046 354 V CA 0.770 63.097 62.300 0.045 0.000 0.986 354 V CB -0.142 31.708 31.823 0.044 0.000 0.989 354 V HN 1.308 nan 8.190 nan 0.000 0.475 355 G N 5.265 114.088 108.800 0.039 0.000 2.746 355 G HA2 -0.172 3.788 3.960 0.000 0.000 0.685 355 G HA3 -0.172 3.788 3.960 0.000 0.000 0.685 355 G C 0.324 175.294 174.900 0.117 0.000 1.350 355 G CA 0.014 45.163 45.100 0.080 0.000 0.837 355 G HN 0.600 nan 8.290 nan 0.000 0.564 356 R N -0.575 119.965 120.500 0.065 0.000 2.066 356 R HA 0.092 4.432 4.340 0.000 0.000 0.232 356 R C 1.990 178.150 176.300 -0.233 0.000 1.131 356 R CA 2.257 58.309 56.100 -0.080 0.000 0.955 356 R CB -0.119 30.109 30.300 -0.120 0.000 0.851 356 R HN 0.508 nan 8.270 nan 0.000 0.432 357 F N -0.989 119.104 119.950 0.239 0.000 2.640 357 F HA 0.240 4.767 4.527 0.000 0.000 0.285 357 F C 0.764 176.585 175.800 0.036 0.000 1.031 357 F CA -0.360 57.718 58.000 0.130 0.000 1.240 357 F CB 0.523 39.591 39.000 0.112 0.000 1.011 357 F HN -0.143 nan 8.300 nan 0.000 0.656 358 R N -0.353 120.279 120.500 0.221 0.000 2.781 358 R HA 0.534 4.874 4.340 0.000 0.000 0.269 358 R C -3.202 173.152 176.300 0.091 0.000 1.025 358 R CA -2.065 54.089 56.100 0.089 0.000 0.914 358 R CB 0.151 30.454 30.300 0.005 0.000 1.236 358 R HN -0.326 nan 8.270 nan 0.000 0.465 359 P HA -0.029 nan 4.420 nan 0.000 0.266 359 P C -0.328 176.988 177.300 0.027 0.000 1.193 359 P CA 0.124 63.237 63.100 0.023 0.000 0.770 359 P CB 0.571 32.258 31.700 -0.022 0.000 0.836 360 S N 1.030 116.753 115.700 0.038 0.000 2.608 360 S HA 0.285 4.755 4.470 0.000 0.000 0.261 360 S C -0.111 174.492 174.600 0.005 0.000 1.314 360 S CA -0.626 57.609 58.200 0.059 0.000 0.992 360 S CB 0.059 63.315 63.200 0.093 0.000 0.935 360 S HN 0.379 nan 8.310 nan 0.000 0.564 361 E N 0.607 120.817 120.200 0.018 0.000 2.204 361 E HA 0.532 4.882 4.350 0.000 0.000 0.276 361 E C -2.756 173.770 176.600 -0.124 0.000 0.974 361 E CA -2.670 53.681 56.400 -0.082 0.000 0.815 361 E CB -0.093 29.549 29.700 -0.097 0.000 1.119 361 E HN 0.374 nan 8.360 nan 0.000 0.393 362 P HA 0.101 nan 4.420 nan 0.000 0.275 362 P C -0.724 176.396 177.300 -0.300 0.000 1.228 362 P CA -0.149 62.770 63.100 -0.301 0.000 0.786 362 P CB 0.584 31.776 31.700 -0.847 0.000 0.927 363 H N 2.335 121.420 119.070 0.025 0.000 2.718 363 H HA 0.281 4.837 4.556 0.000 0.000 0.295 363 H C -0.007 175.445 175.328 0.207 0.000 1.051 363 H CA -0.341 55.803 56.048 0.161 0.000 1.260 363 H CB 0.193 30.079 29.762 0.207 0.000 1.403 363 H HN 0.307 nan 8.280 nan 0.000 0.488 364 F N 1.611 121.757 119.950 0.326 0.000 2.403 364 F HA 0.072 4.599 4.527 0.000 0.000 0.320 364 F C 1.647 177.647 175.800 0.333 0.000 1.176 364 F CA -0.292 57.905 58.000 0.327 0.000 1.206 364 F CB 0.831 39.952 39.000 0.202 0.000 1.235 364 F HN 0.340 nan 8.300 nan 0.000 0.565 365 T N -0.165 114.701 114.554 0.521 0.000 2.816 365 T HA 0.202 4.552 4.350 0.000 0.000 0.282 365 T C 0.985 175.875 174.700 0.317 0.000 0.993 365 T CA -0.804 61.530 62.100 0.390 0.000 0.994 365 T CB 0.907 69.986 68.868 0.353 0.000 1.025 365 T HN 0.560 nan 8.240 nan 0.000 0.529 366 L N 1.261 122.628 121.223 0.239 0.000 2.013 366 L HA -0.126 4.214 4.340 0.000 0.000 0.212 366 L C 2.150 179.123 176.870 0.172 0.000 1.073 366 L CA 2.469 57.422 54.840 0.189 0.000 0.753 366 L CB -0.926 41.223 42.059 0.149 0.000 0.890 366 L HN 0.936 nan 8.230 nan 0.000 0.432 367 D N -1.287 119.215 120.400 0.169 0.000 2.317 367 D HA 0.038 4.678 4.640 0.000 0.000 0.211 367 D C 1.619 178.012 176.300 0.156 0.000 0.966 367 D CA 0.849 54.936 54.000 0.145 0.000 0.876 367 D CB -0.568 40.310 40.800 0.129 0.000 0.927 367 D HN 0.437 nan 8.370 nan 0.000 0.519 368 G N 0.441 109.371 108.800 0.217 0.000 2.147 368 G HA2 -0.303 3.657 3.960 0.000 0.000 0.244 368 G HA3 -0.303 3.657 3.960 0.000 0.000 0.244 368 G C 0.697 175.768 174.900 0.285 0.000 1.005 368 G CA 0.319 45.559 45.100 0.235 0.000 0.713 368 G HN 0.405 nan 8.290 nan 0.000 0.515 369 N N -0.121 118.739 118.700 0.267 0.000 2.299 369 N HA 0.141 4.881 4.740 0.000 0.000 0.187 369 N C 0.799 176.438 175.510 0.216 0.000 1.099 369 N CA 1.048 54.231 53.050 0.221 0.000 0.867 369 N CB 0.576 39.147 38.487 0.140 0.000 0.974 369 N HN 0.781 nan 8.380 nan 0.000 0.477 370 S N 0.066 115.916 115.700 0.251 0.000 2.618 370 S HA 0.779 5.249 4.470 0.000 0.000 0.277 370 S C -0.895 173.788 174.600 0.139 0.000 1.138 370 S CA -0.967 57.247 58.200 0.025 0.000 0.844 370 S CB 1.891 64.969 63.200 -0.204 0.000 1.127 370 S HN 0.174 nan 8.310 nan 0.000 0.474 371 F N -1.883 117.889 119.950 -0.297 0.000 2.668 371 F HA 0.812 5.339 4.527 0.000 0.000 0.309 371 F C -2.134 173.511 175.800 -0.259 0.000 1.117 371 F CA -1.530 56.260 58.000 -0.350 0.000 0.951 371 F CB 0.654 39.054 39.000 -0.999 0.000 1.323 371 F HN 0.570 nan 8.300 nan 0.000 0.451 372 Y N 1.244 121.677 120.300 0.223 0.000 2.387 372 Y HA 0.697 5.247 4.550 0.000 0.000 0.336 372 Y C -0.233 175.833 175.900 0.278 0.000 1.067 372 Y CA -0.899 57.326 58.100 0.209 0.000 1.114 372 Y CB 2.067 40.610 38.460 0.138 0.000 1.208 372 Y HN 0.750 nan 8.280 nan 0.000 0.458 373 K N 2.764 123.400 120.400 0.393 0.000 2.543 373 K HA 0.506 4.826 4.320 0.000 0.000 0.255 373 K C -1.797 174.960 176.600 0.262 0.000 0.934 373 K CA -0.485 55.994 56.287 0.320 0.000 0.810 373 K CB 1.331 33.990 32.500 0.266 0.000 1.315 373 K HN 0.734 nan 8.250 nan 0.000 0.433 374 I N 6.867 127.562 120.570 0.208 0.000 2.347 374 I HA 0.193 4.363 4.170 0.000 0.000 0.294 374 I C 0.277 176.493 176.117 0.165 0.000 1.090 374 I CA -0.298 61.103 61.300 0.168 0.000 1.314 374 I CB -0.147 37.931 38.000 0.131 0.000 1.423 374 I HN 0.512 nan 8.210 nan 0.000 0.503 375 I N 2.789 123.493 120.570 0.224 0.000 2.957 375 I HA 0.569 4.739 4.170 0.000 0.000 0.310 375 I C -0.003 176.255 176.117 0.235 0.000 1.063 375 I CA -0.591 60.838 61.300 0.214 0.000 1.033 375 I CB 2.158 40.303 38.000 0.242 0.000 1.230 375 I HN 0.358 nan 8.210 nan 0.000 0.447 376 S N 2.882 118.660 115.700 0.131 0.000 2.523 376 S HA 0.325 4.795 4.470 0.000 0.000 0.275 376 S C -0.161 174.488 174.600 0.082 0.000 1.281 376 S CA -0.640 57.577 58.200 0.028 0.000 1.050 376 S CB -0.183 62.972 63.200 -0.075 0.000 0.937 376 S HN 0.945 nan 8.310 nan 0.000 0.492 377 N N 2.799 121.437 118.700 -0.104 0.000 2.495 377 N HA 0.209 4.949 4.740 0.000 0.000 0.294 377 N C 0.739 176.172 175.510 -0.128 0.000 1.276 377 N CA -0.634 52.244 53.050 -0.286 0.000 0.973 377 N CB 0.146 38.044 38.487 -0.982 0.000 1.143 377 N HN 0.580 nan 8.380 nan 0.000 0.589 378 E N -0.150 119.972 120.200 -0.130 0.000 2.114 378 E HA -0.235 4.115 4.350 0.000 0.000 0.199 378 E C 1.016 177.579 176.600 -0.063 0.000 1.008 378 E CA 1.811 58.173 56.400 -0.063 0.000 0.810 378 E CB -0.121 29.541 29.700 -0.064 0.000 0.739 378 E HN 0.701 nan 8.360 nan 0.000 0.456 379 E N -1.417 118.744 120.200 -0.065 0.000 2.419 379 E HA 0.154 4.504 4.350 0.000 0.000 0.190 379 E C 0.678 177.256 176.600 -0.037 0.000 1.040 379 E CA 0.520 56.913 56.400 -0.011 0.000 0.900 379 E CB 0.332 30.060 29.700 0.047 0.000 1.054 379 E HN 0.283 nan 8.360 nan 0.000 0.462 380 G N 0.957 109.685 108.800 -0.119 0.000 2.149 380 G HA2 -0.285 3.675 3.960 0.000 0.000 0.235 380 G HA3 -0.285 3.675 3.960 0.000 0.000 0.235 380 G C -0.578 174.045 174.900 -0.462 0.000 1.018 380 G CA -0.011 44.922 45.100 -0.279 0.000 0.728 380 G HN 0.301 nan 8.290 nan 0.000 0.508 381 Y N -0.486 119.693 120.300 -0.202 0.000 2.387 381 Y HA 0.659 5.209 4.550 0.000 0.000 0.336 381 Y C 1.082 176.845 175.900 -0.228 0.000 1.067 381 Y CA -0.945 57.027 58.100 -0.213 0.000 1.114 381 Y CB 1.228 39.585 38.460 -0.172 0.000 1.208 381 Y HN 0.112 nan 8.280 nan 0.000 0.458 382 R N 3.463 123.839 120.500 -0.207 0.000 2.210 382 R HA 0.307 4.647 4.340 0.000 0.000 0.338 382 R C -0.867 175.170 176.300 -0.438 0.000 1.062 382 R CA -0.089 55.889 56.100 -0.204 0.000 0.902 382 R CB 0.096 30.315 30.300 -0.135 0.000 1.050 382 R HN 0.663 nan 8.270 nan 0.000 0.461 383 H N 1.826 120.838 119.070 -0.097 0.000 2.949 383 H HA 0.328 4.884 4.556 0.000 0.000 0.356 383 H C -0.115 175.268 175.328 0.091 0.000 1.212 383 H CA -0.953 55.019 56.048 -0.127 0.000 1.136 383 H CB 1.693 31.252 29.762 -0.338 0.000 1.869 383 H HN 0.299 nan 8.280 nan 0.000 0.556 384 I N 1.331 121.985 120.570 0.139 0.000 2.471 384 I HA 0.014 4.184 4.170 0.000 0.000 0.286 384 I C 0.437 176.636 176.117 0.137 0.000 1.079 384 I CA 0.244 61.601 61.300 0.096 0.000 1.398 384 I CB 0.298 38.247 38.000 -0.085 0.000 1.403 384 I HN 0.169 nan 8.210 nan 0.000 0.530 385 c N 6.636 125.268 118.600 0.053 0.000 2.470 385 c HA 0.483 5.053 4.570 0.000 0.000 0.341 385 c C -0.571 173.402 174.090 -0.194 0.000 1.190 385 c CA -0.423 55.726 56.329 -0.300 0.000 1.904 385 c CB 1.350 43.506 42.510 -0.589 0.000 2.354 385 c HN 0.645 nan 8.230 nan 0.000 0.509 386 Y N 3.336 123.253 120.300 -0.637 0.000 2.376 386 Y HA 0.648 5.198 4.550 0.000 0.000 0.326 386 Y C -1.129 174.284 175.900 -0.812 0.000 0.970 386 Y CA -1.123 56.571 58.100 -0.678 0.000 1.248 386 Y CB 0.146 38.314 38.460 -0.487 0.000 1.117 386 Y HN 0.590 nan 8.280 nan 0.000 0.476 387 F N 3.666 122.857 119.950 -1.266 0.000 2.432 387 F HA 0.528 5.055 4.527 0.000 0.000 0.329 387 F C -0.020 175.086 175.800 -1.156 0.000 1.076 387 F CA -0.757 56.527 58.000 -1.194 0.000 1.018 387 F CB 1.303 39.340 39.000 -1.605 0.000 1.201 387 F HN 0.275 nan 8.300 nan 0.000 0.489 388 Q N 2.725 122.256 119.800 -0.449 0.000 2.245 388 Q HA 0.325 4.665 4.340 0.000 0.000 0.256 388 Q C 1.271 177.318 176.000 0.079 0.000 0.942 388 Q CA -0.402 55.264 55.803 -0.227 0.000 0.896 388 Q CB 1.876 30.520 28.738 -0.157 0.000 1.272 388 Q HN 0.850 nan 8.270 nan 0.000 0.442 389 I N -1.260 119.428 120.570 0.196 0.000 2.423 389 I HA -0.219 3.951 4.170 0.000 0.000 0.254 389 I C 0.196 176.508 176.117 0.325 0.000 1.151 389 I CA 1.634 63.186 61.300 0.420 0.000 1.421 389 I CB -0.174 38.047 38.000 0.368 0.000 1.079 389 I HN 0.384 nan 8.210 nan 0.000 0.431 390 D N 0.257 120.746 120.400 0.148 0.000 2.593 390 D HA 0.273 4.914 4.640 0.000 0.000 0.241 390 D C -0.056 176.246 176.300 0.003 0.000 1.257 390 D CA -0.386 53.641 54.000 0.044 0.000 0.828 390 D CB 0.217 41.036 40.800 0.031 0.000 1.049 390 D HN 0.235 nan 8.370 nan 0.000 0.490 391 K N 0.661 121.079 120.400 0.030 0.000 2.545 391 K HA 0.233 4.553 4.320 0.000 0.000 0.252 391 K C 0.867 177.479 176.600 0.019 0.000 0.948 391 K CA -0.747 55.537 56.287 -0.004 0.000 0.827 391 K CB 1.850 34.332 32.500 -0.031 0.000 1.128 391 K HN -0.097 nan 8.250 nan 0.000 0.429 392 K N 2.072 122.456 120.400 -0.027 0.000 2.059 392 K HA -0.147 4.174 4.320 0.000 0.000 0.212 392 K C -0.273 176.355 176.600 0.047 0.000 1.050 392 K CA 1.732 58.015 56.287 -0.006 0.000 0.927 392 K CB 0.117 32.600 32.500 -0.028 0.000 0.714 392 K HN 0.542 nan 8.250 nan 0.000 0.447 393 D N 0.445 120.820 120.400 -0.040 0.000 2.255 393 D HA 0.136 4.776 4.640 0.000 0.000 0.249 393 D C -0.181 175.933 176.300 -0.310 0.000 1.078 393 D CA -0.282 53.637 54.000 -0.136 0.000 0.896 393 D CB 1.335 42.061 40.800 -0.123 0.000 1.194 393 D HN 0.413 nan 8.370 nan 0.000 0.429 394 c N -0.219 118.047 118.600 -0.557 0.000 2.668 394 c HA 0.855 5.425 4.570 0.000 0.000 0.355 394 c C -0.033 173.686 174.090 -0.619 0.000 1.277 394 c CA -0.622 55.177 56.329 -0.883 0.000 1.787 394 c CB 1.261 42.643 42.510 -1.879 0.000 2.233 394 c HN 0.486 nan 8.230 nan 0.000 0.495 395 T N 1.566 115.802 114.554 -0.530 0.000 2.792 395 T HA 0.516 4.866 4.350 0.000 0.000 0.280 395 T C -0.710 173.772 174.700 -0.363 0.000 0.990 395 T CA 0.102 62.017 62.100 -0.308 0.000 0.960 395 T CB 0.543 69.377 68.868 -0.057 0.000 0.939 395 T HN 0.479 nan 8.240 nan 0.000 0.439 396 F N 2.865 122.705 119.950 -0.182 0.000 2.484 396 F HA 0.259 4.786 4.527 0.000 0.000 0.360 396 F C 1.613 177.263 175.800 -0.251 0.000 1.101 396 F CA -0.855 57.023 58.000 -0.203 0.000 1.251 396 F CB 0.435 39.315 39.000 -0.201 0.000 1.132 396 F HN 0.588 nan 8.300 nan 0.000 0.570 397 I N -0.636 119.836 120.570 -0.164 0.000 4.057 397 I HA 0.249 4.419 4.170 0.000 0.000 0.334 397 I C 0.126 176.068 176.117 -0.292 0.000 1.308 397 I CA 0.123 61.117 61.300 -0.509 0.000 1.125 397 I CB 0.224 37.603 38.000 -1.035 0.000 1.034 397 I HN 0.502 nan 8.210 nan 0.000 0.401 398 T N 0.141 114.587 114.554 -0.181 0.000 2.909 398 T HA 0.708 5.058 4.350 0.000 0.000 0.299 398 T C -0.733 173.613 174.700 -0.590 0.000 1.073 398 T CA -0.641 61.333 62.100 -0.210 0.000 0.999 398 T CB 2.584 71.411 68.868 -0.067 0.000 1.098 398 T HN 0.461 nan 8.240 nan 0.000 0.477 399 K N 0.629 120.587 120.400 -0.737 0.000 2.495 399 K HA 0.969 5.289 4.320 0.000 0.000 0.268 399 K C -0.176 175.820 176.600 -1.006 0.000 1.008 399 K CA -0.972 54.581 56.287 -1.225 0.000 0.882 399 K CB 1.604 33.697 32.500 -0.678 0.000 1.443 399 K HN 1.359 nan 8.250 nan 0.000 0.447 400 G N -0.578 107.628 108.800 -0.991 0.000 2.359 400 G HA2 0.114 4.074 3.960 0.000 0.000 0.314 400 G HA3 0.114 4.074 3.960 0.000 0.000 0.314 400 G C -1.216 173.148 174.900 -0.893 0.000 1.364 400 G CA -0.857 43.817 45.100 -0.711 0.000 0.978 400 G HN 0.449 nan 8.290 nan 0.000 0.615 401 T N 2.532 116.737 114.554 -0.582 0.000 3.783 401 T HA 0.506 4.856 4.350 0.000 0.000 0.262 401 T C -0.324 174.233 174.700 -0.238 0.000 1.381 401 T CA 0.584 62.215 62.100 -0.781 0.000 1.155 401 T CB -1.117 67.542 68.868 -0.348 0.000 1.256 401 T HN 0.699 nan 8.240 nan 0.000 0.807 402 W N -0.044 121.111 121.300 -0.241 0.000 2.929 402 W HA 0.514 5.174 4.660 0.000 0.000 0.363 402 W C -1.501 175.022 176.519 0.006 0.000 1.168 402 W CA -0.982 56.369 57.345 0.010 0.000 1.163 402 W CB 0.644 30.089 29.460 -0.025 0.000 1.455 402 W HN 0.001 nan 8.180 nan 0.000 0.568 403 E N 0.930 121.289 120.200 0.265 0.000 2.288 403 E HA 0.452 4.802 4.350 0.000 0.000 0.268 403 E C -0.974 175.720 176.600 0.157 0.000 0.885 403 E CA -1.184 55.185 56.400 -0.051 0.000 0.767 403 E CB 3.369 33.094 29.700 0.042 0.000 1.220 403 E HN 0.176 nan 8.360 nan 0.000 0.427 404 V N 3.890 123.777 119.914 -0.045 0.000 2.508 404 V HA -0.018 4.102 4.120 0.000 0.000 0.281 404 V C 1.239 177.435 176.094 0.170 0.000 1.041 404 V CA -0.012 62.378 62.300 0.149 0.000 1.016 404 V CB 0.463 32.296 31.823 0.017 0.000 0.984 404 V HN 0.699 nan 8.190 nan 0.000 0.478 405 I N 3.183 123.885 120.570 0.220 0.000 2.333 405 I HA 0.230 4.400 4.170 0.000 0.000 0.246 405 I C 1.149 177.393 176.117 0.212 0.000 1.106 405 I CA 1.191 62.617 61.300 0.211 0.000 1.411 405 I CB -0.893 37.176 38.000 0.116 0.000 1.082 405 I HN 0.779 nan 8.210 nan 0.000 0.420 406 G N 0.323 109.249 108.800 0.209 0.000 2.616 406 G HA2 0.515 4.475 3.960 0.000 0.000 0.294 406 G HA3 0.515 4.475 3.960 0.000 0.000 0.294 406 G C -1.281 173.730 174.900 0.184 0.000 1.489 406 G CA -0.590 44.631 45.100 0.202 0.000 0.836 406 G HN -0.047 nan 8.290 nan 0.000 0.527 407 I N 1.477 122.115 120.570 0.113 0.000 2.342 407 I HA 0.276 4.446 4.170 0.000 0.000 0.291 407 I C 0.628 176.690 176.117 -0.092 0.000 1.010 407 I CA -0.546 60.713 61.300 -0.068 0.000 1.308 407 I CB 1.750 39.514 38.000 -0.394 0.000 1.400 407 I HN 0.506 nan 8.210 nan 0.000 0.488 408 E N 4.762 124.945 120.200 -0.027 0.000 2.372 408 E HA 0.356 4.706 4.350 0.000 0.000 0.201 408 E C 0.083 176.603 176.600 -0.133 0.000 0.938 408 E CA 0.193 56.613 56.400 0.033 0.000 0.944 408 E CB 1.002 30.804 29.700 0.169 0.000 0.937 408 E HN 0.675 nan 8.360 nan 0.000 0.495 409 A N 0.551 123.213 122.820 -0.264 0.000 2.608 409 A HA 0.657 4.977 4.320 0.000 0.000 0.292 409 A C -1.777 175.719 177.584 -0.146 0.000 1.066 409 A CA -0.581 51.246 52.037 -0.349 0.000 0.676 409 A CB 1.228 19.604 19.000 -1.041 0.000 1.277 409 A HN 0.072 nan 8.150 nan 0.000 0.413 410 L N 2.343 123.528 121.223 -0.063 0.000 2.446 410 L HA 0.590 4.930 4.340 0.000 0.000 0.268 410 L C 0.230 177.134 176.870 0.056 0.000 0.975 410 L CA -0.212 54.629 54.840 0.001 0.000 0.848 410 L CB 1.979 44.076 42.059 0.063 0.000 1.225 410 L HN 1.138 nan 8.230 nan 0.000 0.410 411 T N -0.913 113.689 114.554 0.081 0.000 2.910 411 T HA 0.204 4.554 4.350 0.000 0.000 0.279 411 T C 1.306 176.054 174.700 0.080 0.000 0.989 411 T CA 0.078 62.242 62.100 0.107 0.000 0.968 411 T CB 1.622 70.595 68.868 0.175 0.000 1.135 411 T HN 0.588 nan 8.240 nan 0.000 0.562 412 S N -0.041 115.707 115.700 0.080 0.000 2.442 412 S HA -0.092 4.378 4.470 0.000 0.000 0.236 412 S C 0.657 175.258 174.600 0.001 0.000 1.007 412 S CA 1.349 59.585 58.200 0.060 0.000 0.965 412 S CB -0.782 62.454 63.200 0.060 0.000 0.773 412 S HN 0.938 nan 8.310 nan 0.000 0.504 413 D N -1.917 118.454 120.400 -0.049 0.000 2.651 413 D HA 0.258 4.898 4.640 0.000 0.000 0.280 413 D C -0.667 175.331 176.300 -0.503 0.000 1.496 413 D CA -0.482 53.380 54.000 -0.229 0.000 0.792 413 D CB -0.646 40.002 40.800 -0.254 0.000 1.144 413 D HN 0.495 nan 8.370 nan 0.000 0.470 414 Y N 0.073 120.301 120.300 -0.119 0.000 2.479 414 Y HA 0.424 4.974 4.550 0.000 0.000 0.338 414 Y C -1.311 174.384 175.900 -0.341 0.000 1.055 414 Y CA -1.235 56.703 58.100 -0.270 0.000 1.023 414 Y CB 2.545 40.786 38.460 -0.365 0.000 1.287 414 Y HN -0.020 nan 8.280 nan 0.000 0.447 415 L N 4.598 125.682 121.223 -0.231 0.000 2.319 415 L HA 0.581 4.921 4.340 0.000 0.000 0.281 415 L C -1.672 175.044 176.870 -0.255 0.000 1.005 415 L CA -0.547 54.131 54.840 -0.269 0.000 0.828 415 L CB 0.588 42.409 42.059 -0.396 0.000 1.227 415 L HN 0.590 nan 8.230 nan 0.000 0.415 416 Y N 5.000 125.226 120.300 -0.124 0.000 2.323 416 Y HA 0.505 5.055 4.550 0.000 0.000 0.331 416 Y C -0.244 175.661 175.900 0.009 0.000 1.092 416 Y CA -0.163 57.871 58.100 -0.111 0.000 1.150 416 Y CB 1.074 39.362 38.460 -0.288 0.000 1.200 416 Y HN 0.555 nan 8.280 nan 0.000 0.472 417 Y N 0.500 120.856 120.300 0.093 0.000 2.670 417 Y HA 0.792 5.342 4.550 0.000 0.000 0.334 417 Y C -1.926 174.059 175.900 0.143 0.000 1.185 417 Y CA -1.833 56.314 58.100 0.077 0.000 1.053 417 Y CB 1.220 39.701 38.460 0.035 0.000 1.298 417 Y HN 0.298 nan 8.280 nan 0.000 0.459 418 I N 3.121 123.841 120.570 0.250 0.000 2.433 418 I HA 0.594 4.764 4.170 0.000 0.000 0.292 418 I C -0.477 175.806 176.117 0.278 0.000 1.001 418 I CA -0.458 60.934 61.300 0.153 0.000 1.119 418 I CB 1.726 39.787 38.000 0.101 0.000 1.289 418 I HN 0.891 nan 8.210 nan 0.000 0.438 419 S N 3.745 119.580 115.700 0.224 0.000 2.651 419 S HA 0.460 4.930 4.470 0.000 0.000 0.279 419 S C -0.353 174.307 174.600 0.099 0.000 1.148 419 S CA -0.802 57.530 58.200 0.220 0.000 0.837 419 S CB 2.042 65.411 63.200 0.282 0.000 1.138 419 S HN 0.623 nan 8.310 nan 0.000 0.478 420 N N -0.409 118.349 118.700 0.096 0.000 2.453 420 N HA 0.158 4.898 4.740 0.000 0.000 0.270 420 N C 0.390 175.884 175.510 -0.027 0.000 1.195 420 N CA -0.381 52.681 53.050 0.021 0.000 0.902 420 N CB 0.362 38.855 38.487 0.010 0.000 1.186 420 N HN 0.824 nan 8.380 nan 0.000 0.510 421 E N -0.219 119.845 120.200 -0.226 0.000 2.076 421 E HA -0.130 4.220 4.350 0.000 0.000 0.190 421 E C -0.361 176.089 176.600 -0.250 0.000 0.979 421 E CA -0.028 56.004 56.400 -0.613 0.000 0.807 421 E CB -0.049 28.703 29.700 -1.580 0.000 0.761 421 E HN 0.381 nan 8.360 nan 0.000 0.454 422 Y N 2.340 122.550 120.300 -0.151 0.000 2.881 422 Y HA -0.181 4.369 4.550 0.000 0.000 0.335 422 Y C 0.376 176.236 175.900 -0.066 0.000 1.263 422 Y CA 1.061 59.120 58.100 -0.069 0.000 1.572 422 Y CB 0.145 38.586 38.460 -0.032 0.000 1.237 422 Y HN 0.085 nan 8.280 nan 0.000 0.568 423 K N 3.595 123.668 120.400 -0.544 0.000 2.971 423 K HA -0.267 4.053 4.320 0.000 0.000 0.265 423 K C 0.881 177.403 176.600 -0.130 0.000 1.052 423 K CA 0.834 56.894 56.287 -0.379 0.000 0.780 423 K CB -1.788 30.450 32.500 -0.437 0.000 1.214 423 K HN 1.278 nan 8.250 nan 0.000 0.478 424 G N 0.973 109.712 108.800 -0.103 0.000 2.258 424 G HA2 -0.342 3.618 3.960 0.000 0.000 0.274 424 G HA3 -0.342 3.618 3.960 0.000 0.000 0.274 424 G C 0.053 174.944 174.900 -0.015 0.000 1.021 424 G CA 0.992 46.080 45.100 -0.020 0.000 0.798 424 G HN 0.494 nan 8.290 nan 0.000 0.507 425 M N -1.837 117.687 119.600 -0.127 0.000 2.149 425 M HA 0.529 5.009 4.480 0.000 0.000 0.342 425 M C -1.980 174.083 176.300 -0.395 0.000 1.068 425 M CA -2.392 52.659 55.300 -0.415 0.000 0.991 425 M CB 2.023 34.372 32.600 -0.418 0.000 1.596 425 M HN -0.135 nan 8.290 nan 0.000 0.439 426 P HA 0.041 nan 4.420 nan 0.000 0.222 426 P C 1.427 178.579 177.300 -0.247 0.000 1.153 426 P CA 1.079 64.007 63.100 -0.287 0.000 0.798 426 P CB 0.102 31.640 31.700 -0.269 0.000 0.796 427 G N -0.716 107.871 108.800 -0.355 0.000 2.848 427 G HA2 0.181 4.141 3.960 0.000 0.000 0.208 427 G HA3 0.181 4.141 3.960 0.000 0.000 0.208 427 G C 0.725 175.632 174.900 0.011 0.000 1.152 427 G CA 0.226 45.246 45.100 -0.133 0.000 0.789 427 G HN 0.408 nan 8.290 nan 0.000 0.531 428 G N -0.710 108.044 108.800 -0.077 0.000 2.471 428 G HA2 0.649 4.609 3.960 0.000 0.000 0.332 428 G HA3 0.649 4.609 3.960 0.000 0.000 0.332 428 G C -1.025 173.764 174.900 -0.185 0.000 1.176 428 G CA -0.984 44.094 45.100 -0.037 0.000 0.949 428 G HN 0.208 nan 8.290 nan 0.000 0.488 429 R N 0.303 120.645 120.500 -0.263 0.000 2.522 429 R HA 0.393 4.733 4.340 0.000 0.000 0.283 429 R C -1.244 174.980 176.300 -0.126 0.000 1.074 429 R CA -0.584 55.313 56.100 -0.339 0.000 0.925 429 R CB 1.403 31.173 30.300 -0.884 0.000 1.205 429 R HN 0.581 nan 8.270 nan 0.000 0.436 430 N N 2.686 121.348 118.700 -0.063 0.000 2.329 430 N HA 0.335 5.075 4.740 0.000 0.000 0.282 430 N C -1.710 173.663 175.510 -0.228 0.000 1.198 430 N CA -0.750 52.208 53.050 -0.153 0.000 0.790 430 N CB 2.214 40.512 38.487 -0.314 0.000 1.579 430 N HN 0.272 nan 8.380 nan 0.000 0.475 431 L N 1.819 122.789 121.223 -0.422 0.000 2.371 431 L HA 0.454 4.794 4.340 0.000 0.000 0.272 431 L C -1.332 175.151 176.870 -0.645 0.000 1.124 431 L CA 0.167 54.773 54.840 -0.390 0.000 0.816 431 L CB -0.007 41.832 42.059 -0.367 0.000 1.129 431 L HN 0.436 nan 8.230 nan 0.000 0.448 432 Y N 3.046 123.032 120.300 -0.523 0.000 2.553 432 Y HA 0.537 5.087 4.550 0.000 0.000 0.347 432 Y C -0.573 175.048 175.900 -0.465 0.000 1.019 432 Y CA -0.892 56.856 58.100 -0.586 0.000 1.032 432 Y CB 1.747 39.607 38.460 -1.000 0.000 1.284 432 Y HN 0.560 nan 8.280 nan 0.000 0.466 433 K N 2.599 122.904 120.400 -0.157 0.000 2.318 433 K HA 0.821 5.141 4.320 0.000 0.000 0.249 433 K C -1.857 174.740 176.600 -0.005 0.000 0.942 433 K CA -0.795 55.343 56.287 -0.248 0.000 0.808 433 K CB 2.890 35.019 32.500 -0.618 0.000 1.189 433 K HN 0.749 nan 8.250 nan 0.000 0.428 434 I N 1.860 122.466 120.570 0.059 0.000 2.466 434 I HA 0.155 4.325 4.170 0.000 0.000 0.289 434 I C -0.857 175.331 176.117 0.119 0.000 1.026 434 I CA -0.722 60.664 61.300 0.144 0.000 1.078 434 I CB 2.081 40.170 38.000 0.149 0.000 1.249 434 I HN 0.852 nan 8.210 nan 0.000 0.429 435 Q N 5.249 125.114 119.800 0.109 0.000 2.271 435 Q HA 0.073 4.413 4.340 0.000 0.000 0.273 435 Q C 0.182 176.113 176.000 -0.115 0.000 1.051 435 Q CA -0.361 55.344 55.803 -0.164 0.000 0.901 435 Q CB 1.162 29.835 28.738 -0.108 0.000 1.174 435 Q HN 0.766 nan 8.270 nan 0.000 0.385 436 L N 3.128 124.212 121.223 -0.232 0.000 2.017 436 L HA -0.198 4.142 4.340 0.000 0.000 0.208 436 L C 2.404 179.182 176.870 -0.152 0.000 1.073 436 L CA 2.245 57.035 54.840 -0.084 0.000 0.745 436 L CB -1.211 40.771 42.059 -0.127 0.000 0.894 436 L HN 0.845 nan 8.230 nan 0.000 0.432 437 S N -1.859 113.710 115.700 -0.218 0.000 2.442 437 S HA -0.120 4.350 4.470 0.000 0.000 0.236 437 S C 0.778 175.210 174.600 -0.280 0.000 1.007 437 S CA 0.881 58.939 58.200 -0.236 0.000 0.965 437 S CB -0.226 62.866 63.200 -0.181 0.000 0.773 437 S HN 0.470 nan 8.310 nan 0.000 0.504 438 D N -0.381 119.883 120.400 -0.227 0.000 2.386 438 D HA 0.242 4.882 4.640 0.000 0.000 0.247 438 D C -0.485 175.803 176.300 -0.020 0.000 1.336 438 D CA -0.717 53.179 54.000 -0.173 0.000 0.976 438 D CB 0.462 41.205 40.800 -0.095 0.000 1.257 438 D HN -0.001 nan 8.370 nan 0.000 0.570 439 Y N 1.188 121.460 120.300 -0.047 0.000 2.574 439 Y HA -0.068 4.482 4.550 0.000 0.000 0.294 439 Y C 2.414 178.313 175.900 -0.002 0.000 1.142 439 Y CA 1.224 59.306 58.100 -0.030 0.000 1.314 439 Y CB -0.654 37.786 38.460 -0.033 0.000 0.991 439 Y HN 0.412 nan 8.280 nan 0.000 0.555 440 T N -3.405 111.230 114.554 0.135 0.000 3.107 440 T HA 0.068 4.418 4.350 0.000 0.000 0.249 440 T C 0.684 175.434 174.700 0.084 0.000 1.096 440 T CA -0.117 62.039 62.100 0.094 0.000 1.012 440 T CB -0.046 68.856 68.868 0.056 0.000 0.977 440 T HN -0.118 nan 8.240 nan 0.000 0.527 441 K N 2.650 123.104 120.400 0.089 0.000 2.363 441 K HA 0.405 4.725 4.320 0.000 0.000 0.240 441 K C -0.795 175.877 176.600 0.120 0.000 1.169 441 K CA -0.210 56.129 56.287 0.088 0.000 1.131 441 K CB 0.748 33.290 32.500 0.069 0.000 1.771 441 K HN 0.241 nan 8.250 nan 0.000 0.380 442 V N 1.721 121.709 119.914 0.123 0.000 2.407 442 V HA 0.263 4.383 4.120 0.000 0.000 0.278 442 V C 0.348 176.516 176.094 0.123 0.000 1.037 442 V CA -0.458 61.932 62.300 0.150 0.000 0.900 442 V CB 1.595 33.525 31.823 0.179 0.000 0.983 442 V HN 0.411 nan 8.190 nan 0.000 0.459 443 T N 3.473 118.081 114.554 0.091 0.000 2.829 443 T HA 0.272 4.622 4.350 0.000 0.000 0.280 443 T C -0.424 174.248 174.700 -0.047 0.000 0.999 443 T CA -0.314 61.795 62.100 0.015 0.000 0.983 443 T CB 1.414 70.256 68.868 -0.043 0.000 0.968 443 T HN 0.776 nan 8.240 nan 0.000 0.446 444 C N 4.523 123.736 119.300 -0.144 0.000 2.325 444 C HA 0.436 4.896 4.460 0.000 0.000 0.347 444 C C 1.361 176.096 174.990 -0.425 0.000 1.263 444 C CA -0.558 58.175 59.018 -0.476 0.000 1.806 444 C CB -1.645 25.801 27.740 -0.489 0.000 2.405 444 C HN 0.892 nan 8.230 nan 0.000 0.537 445 L N 4.761 125.685 121.223 -0.499 0.000 2.558 445 L HA 0.137 4.477 4.340 0.000 0.000 0.225 445 L C 2.134 178.726 176.870 -0.464 0.000 1.128 445 L CA 1.430 56.038 54.840 -0.386 0.000 0.868 445 L CB 0.108 41.963 42.059 -0.340 0.000 1.006 445 L HN 0.906 nan 8.230 nan 0.000 0.454 446 S N -4.888 110.437 115.700 -0.626 0.000 2.744 446 S HA 0.016 4.486 4.470 0.000 0.000 0.265 446 S C 1.655 175.869 174.600 -0.644 0.000 1.065 446 S CA -0.005 57.711 58.200 -0.806 0.000 1.191 446 S CB -0.647 61.738 63.200 -1.358 0.000 1.150 446 S HN 0.215 nan 8.310 nan 0.000 0.646 447 C N 2.132 121.061 119.300 -0.618 0.000 2.440 447 C HA 0.164 4.624 4.460 0.000 0.000 0.278 447 C C 2.109 176.807 174.990 -0.485 0.000 1.295 447 C CA 1.032 59.590 59.018 -0.767 0.000 1.738 447 C CB -0.985 26.129 27.740 -1.044 0.000 1.987 447 C HN 0.702 nan 8.230 nan 0.000 0.492 448 E N 0.070 120.093 120.200 -0.296 0.000 2.501 448 E HA 0.189 4.539 4.350 0.000 0.000 0.201 448 E C 1.665 178.216 176.600 -0.081 0.000 1.016 448 E CA -0.216 56.104 56.400 -0.133 0.000 0.920 448 E CB 0.095 29.747 29.700 -0.080 0.000 1.023 448 E HN 0.548 nan 8.360 nan 0.000 0.474 449 L N 0.718 121.882 121.223 -0.099 0.000 2.127 449 L HA -0.084 4.256 4.340 0.000 0.000 0.211 449 L C 0.893 177.771 176.870 0.012 0.000 1.089 449 L CA 0.910 55.730 54.840 -0.033 0.000 0.757 449 L CB -0.021 42.023 42.059 -0.025 0.000 0.899 449 L HN 0.213 nan 8.230 nan 0.000 0.434 450 N N -1.814 116.902 118.700 0.026 0.000 3.286 450 N HA 0.057 4.797 4.740 0.000 0.000 0.169 450 N C -2.282 173.243 175.510 0.026 0.000 1.375 450 N CA -0.489 52.577 53.050 0.026 0.000 1.093 450 N CB 0.458 38.963 38.487 0.031 0.000 1.659 450 N HN -0.193 nan 8.380 nan 0.000 0.629 451 P HA 0.015 nan 4.420 nan 0.000 0.226 451 P C 0.745 178.077 177.300 0.054 0.000 1.153 451 P CA 1.062 64.192 63.100 0.050 0.000 0.777 451 P CB 0.548 32.297 31.700 0.083 0.000 0.794 452 E N -0.734 119.483 120.200 0.028 0.000 2.140 452 E HA -0.023 4.327 4.350 0.000 0.000 0.191 452 E C 2.142 178.738 176.600 -0.008 0.000 0.973 452 E CA 0.408 56.818 56.400 0.017 0.000 0.829 452 E CB -0.147 29.559 29.700 0.009 0.000 0.781 452 E HN 0.171 nan 8.360 nan 0.000 0.466 453 R N 0.075 120.558 120.500 -0.029 0.000 2.140 453 R HA 0.086 4.426 4.340 0.000 0.000 0.213 453 R C 0.000 176.241 176.300 -0.098 0.000 1.059 453 R CA 0.514 56.572 56.100 -0.068 0.000 1.000 453 R CB 0.410 30.661 30.300 -0.081 0.000 0.910 453 R HN 0.050 nan 8.270 nan 0.000 0.455 454 c N 0.889 119.435 118.600 -0.091 0.000 2.321 454 c HA 0.397 4.967 4.570 0.000 0.000 0.323 454 c C -0.110 173.898 174.090 -0.137 0.000 1.191 454 c CA -0.611 55.594 56.329 -0.206 0.000 1.455 454 c CB 1.211 43.599 42.510 -0.203 0.000 2.083 454 c HN 0.523 nan 8.230 nan 0.000 0.442 455 Q N 0.685 120.400 119.800 -0.142 0.000 2.064 455 Q HA 0.204 4.544 4.340 0.000 0.000 0.213 455 Q C -0.927 175.074 176.000 0.003 0.000 0.779 455 Q CA 0.064 55.859 55.803 -0.014 0.000 1.032 455 Q CB 1.161 29.938 28.738 0.066 0.000 1.203 455 Q HN 0.794 nan 8.270 nan 0.000 0.457 456 Y N 0.482 120.612 120.300 -0.283 0.000 2.609 456 Y HA 0.339 4.889 4.550 0.000 0.000 0.350 456 Y C -1.518 174.216 175.900 -0.276 0.000 1.050 456 Y CA -0.986 56.997 58.100 -0.195 0.000 1.290 456 Y CB 0.563 38.937 38.460 -0.144 0.000 1.094 456 Y HN -0.031 nan 8.280 nan 0.000 0.583 457 Y N 1.791 122.004 120.300 -0.146 0.000 2.352 457 Y HA 0.624 5.174 4.550 0.000 0.000 0.326 457 Y C 0.497 176.331 175.900 -0.110 0.000 1.166 457 Y CA -0.308 57.723 58.100 -0.115 0.000 1.182 457 Y CB 1.859 40.224 38.460 -0.159 0.000 1.216 457 Y HN 0.474 nan 8.280 nan 0.000 0.474 458 S N 0.780 116.564 115.700 0.140 0.000 2.661 458 S HA 0.851 5.321 4.470 0.000 0.000 0.285 458 S C -1.555 173.114 174.600 0.116 0.000 1.138 458 S CA -0.876 57.390 58.200 0.110 0.000 0.855 458 S CB 1.864 65.140 63.200 0.127 0.000 1.136 458 S HN 0.565 nan 8.310 nan 0.000 0.484 459 V N 0.559 120.545 119.914 0.120 0.000 2.971 459 V HA 0.831 4.951 4.120 0.000 0.000 0.309 459 V C -1.167 175.022 176.094 0.158 0.000 1.130 459 V CA -0.232 62.121 62.300 0.090 0.000 0.964 459 V CB 2.258 34.077 31.823 -0.007 0.000 1.029 459 V HN 1.222 nan 8.190 nan 0.000 0.427 460 S N 5.772 121.560 115.700 0.147 0.000 2.640 460 S HA 0.691 5.162 4.470 0.000 0.000 0.320 460 S C -1.074 173.694 174.600 0.281 0.000 1.097 460 S CA -0.377 57.999 58.200 0.293 0.000 1.092 460 S CB 0.471 63.880 63.200 0.349 0.000 0.988 460 S HN 0.492 nan 8.310 nan 0.000 0.470 461 F N 2.962 122.997 119.950 0.141 0.000 2.377 461 F HA 0.481 5.008 4.527 0.000 0.000 0.328 461 F C 1.351 176.751 175.800 -0.667 0.000 1.094 461 F CA -0.132 57.788 58.000 -0.133 0.000 1.093 461 F CB 1.543 40.445 39.000 -0.163 0.000 1.214 461 F HN 0.692 nan 8.300 nan 0.000 0.518 462 S N 1.746 116.917 115.700 -0.883 0.000 2.641 462 S HA 0.185 4.655 4.470 0.000 0.000 0.261 462 S C 1.223 175.581 174.600 -0.403 0.000 1.257 462 S CA -0.546 56.850 58.200 -1.340 0.000 0.983 462 S CB 0.830 63.360 63.200 -1.117 0.000 0.990 462 S HN 0.703 nan 8.310 nan 0.000 0.572 463 K N 0.254 120.526 120.400 -0.213 0.000 2.113 463 K HA -0.099 4.221 4.320 0.000 0.000 0.208 463 K C 0.761 177.359 176.600 -0.004 0.000 1.047 463 K CA 1.801 58.070 56.287 -0.030 0.000 0.928 463 K CB -0.197 32.316 32.500 0.022 0.000 0.716 463 K HN 0.699 nan 8.250 nan 0.000 0.446 464 E N -1.182 119.012 120.200 -0.010 0.000 3.157 464 E HA 0.218 4.568 4.350 0.000 0.000 0.203 464 E C -0.806 175.798 176.600 0.007 0.000 0.982 464 E CA -0.016 56.395 56.400 0.018 0.000 1.217 464 E CB 1.090 30.817 29.700 0.047 0.000 1.123 464 E HN 0.278 nan 8.360 nan 0.000 0.457 465 A N 1.151 123.964 122.820 -0.012 0.000 2.832 465 A HA -0.308 4.012 4.320 0.000 0.000 0.280 465 A C 1.352 178.956 177.584 0.033 0.000 1.464 465 A CA 1.189 53.250 52.037 0.041 0.000 0.804 465 A CB -1.416 17.503 19.000 -0.136 0.000 1.020 465 A HN 0.327 nan 8.150 nan 0.000 0.563 466 K N -2.144 118.241 120.400 -0.025 0.000 2.243 466 K HA 0.141 4.461 4.320 0.000 0.000 0.201 466 K C 0.105 176.432 176.600 -0.455 0.000 1.051 466 K CA 1.270 57.456 56.287 -0.170 0.000 0.970 466 K CB 0.129 32.589 32.500 -0.066 0.000 0.755 466 K HN 0.730 nan 8.250 nan 0.000 0.465 467 Y N -0.971 119.280 120.300 -0.083 0.000 2.638 467 Y HA 0.304 4.854 4.550 0.000 0.000 0.339 467 Y C -0.858 174.969 175.900 -0.122 0.000 1.084 467 Y CA -1.514 56.531 58.100 -0.092 0.000 1.068 467 Y CB 1.722 40.148 38.460 -0.057 0.000 1.294 467 Y HN -0.044 nan 8.280 nan 0.000 0.480 468 Y N -1.109 119.151 120.300 -0.066 0.000 2.521 468 Y HA 0.451 5.001 4.550 0.000 0.000 0.332 468 Y C -1.486 174.388 175.900 -0.044 0.000 1.121 468 Y CA -1.376 56.514 58.100 -0.350 0.000 1.037 468 Y CB 1.303 39.010 38.460 -1.256 0.000 1.330 468 Y HN 0.591 nan 8.280 nan 0.000 0.452 469 Q N 4.141 124.035 119.800 0.156 0.000 2.290 469 Q HA 0.588 4.928 4.340 0.000 0.000 0.259 469 Q C -1.663 174.398 176.000 0.102 0.000 0.941 469 Q CA -0.752 55.122 55.803 0.118 0.000 0.912 469 Q CB 1.315 30.109 28.738 0.094 0.000 1.244 469 Q HN 0.946 nan 8.270 nan 0.000 0.441 470 L N 3.729 125.018 121.223 0.111 0.000 2.307 470 L HA 0.520 4.860 4.340 0.000 0.000 0.282 470 L C -0.479 176.461 176.870 0.117 0.000 1.051 470 L CA -0.812 54.102 54.840 0.123 0.000 0.804 470 L CB 1.261 43.389 42.059 0.114 0.000 1.197 470 L HN 0.529 nan 8.230 nan 0.000 0.431 471 R N 1.831 122.378 120.500 0.079 0.000 2.343 471 R HA 0.379 4.719 4.340 0.000 0.000 0.320 471 R C -0.944 175.247 176.300 -0.181 0.000 0.956 471 R CA -0.314 55.688 56.100 -0.165 0.000 0.836 471 R CB 1.436 31.690 30.300 -0.078 0.000 1.151 471 R HN 0.602 nan 8.270 nan 0.000 0.450 472 c N 2.613 120.975 118.600 -0.396 0.000 2.298 472 c HA 0.595 5.165 4.570 0.000 0.000 0.323 472 c C 0.821 174.688 174.090 -0.373 0.000 1.284 472 c CA -0.309 55.697 56.329 -0.538 0.000 1.577 472 c CB 0.327 42.460 42.510 -0.629 0.000 2.249 472 c HN 0.967 nan 8.230 nan 0.000 0.497 473 S N 3.453 119.019 115.700 -0.224 0.000 2.650 473 S HA 0.621 5.091 4.470 0.000 0.000 0.240 473 S C 0.352 174.905 174.600 -0.078 0.000 1.007 473 S CA 0.211 58.336 58.200 -0.125 0.000 0.984 473 S CB 0.274 63.436 63.200 -0.064 0.000 0.910 473 S HN 1.809 nan 8.310 nan 0.000 0.509 474 G N 1.667 110.408 108.800 -0.099 0.000 2.355 474 G HA2 0.456 4.416 3.960 0.000 0.000 0.296 474 G HA3 0.456 4.416 3.960 0.000 0.000 0.296 474 G C -3.247 171.621 174.900 -0.055 0.000 1.507 474 G CA -0.806 44.270 45.100 -0.040 0.000 0.823 474 G HN -0.122 nan 8.290 nan 0.000 0.569 475 P HA 0.187 nan 4.420 nan 0.000 0.257 475 P C 1.235 178.540 177.300 0.009 0.000 1.241 475 P CA 0.725 63.843 63.100 0.031 0.000 0.816 475 P CB 0.821 32.540 31.700 0.031 0.000 1.150 476 G N 0.626 109.361 108.800 -0.107 0.000 2.563 476 G HA2 0.369 4.329 3.960 0.000 0.000 0.283 476 G HA3 0.369 4.329 3.960 0.000 0.000 0.283 476 G C -0.196 174.446 174.900 -0.429 0.000 1.309 476 G CA -0.696 44.261 45.100 -0.238 0.000 1.022 476 G HN 0.016 nan 8.290 nan 0.000 0.501 477 L N 1.267 122.154 121.223 -0.560 0.000 2.499 477 L HA 0.120 4.460 4.340 0.000 0.000 0.273 477 L C -1.801 174.903 176.870 -0.278 0.000 1.195 477 L CA -1.209 53.294 54.840 -0.563 0.000 0.882 477 L CB 0.439 42.254 42.059 -0.408 0.000 1.133 477 L HN 0.253 nan 8.230 nan 0.000 0.483 478 P HA -0.005 nan 4.420 nan 0.000 0.266 478 P C -0.842 176.357 177.300 -0.168 0.000 1.186 478 P CA 0.116 63.109 63.100 -0.179 0.000 0.767 478 P CB 0.493 32.152 31.700 -0.068 0.000 0.820 479 L N 4.514 125.543 121.223 -0.323 0.000 2.528 479 L HA 0.449 4.789 4.340 0.000 0.000 0.267 479 L C -1.918 174.786 176.870 -0.277 0.000 0.961 479 L CA -0.583 54.150 54.840 -0.179 0.000 0.866 479 L CB 0.947 42.927 42.059 -0.131 0.000 1.248 479 L HN 0.194 nan 8.230 nan 0.000 0.404 480 Y N 2.952 123.209 120.300 -0.073 0.000 2.335 480 Y HA 0.778 5.328 4.550 0.000 0.000 0.338 480 Y C 0.762 176.571 175.900 -0.152 0.000 0.977 480 Y CA -0.375 57.667 58.100 -0.095 0.000 1.114 480 Y CB 2.002 40.371 38.460 -0.151 0.000 1.182 480 Y HN 0.712 nan 8.280 nan 0.000 0.463 481 T N 0.941 115.523 114.554 0.045 0.000 2.858 481 T HA 0.769 5.119 4.350 0.000 0.000 0.285 481 T C -1.387 173.283 174.700 -0.050 0.000 1.052 481 T CA -0.959 61.114 62.100 -0.044 0.000 1.009 481 T CB 2.008 70.881 68.868 0.009 0.000 1.241 481 T HN 0.528 nan 8.240 nan 0.000 0.542 482 L N 1.038 122.141 121.223 -0.199 0.000 2.445 482 L HA 0.624 4.964 4.340 0.000 0.000 0.262 482 L C -1.716 174.926 176.870 -0.381 0.000 0.974 482 L CA -0.574 54.186 54.840 -0.133 0.000 0.822 482 L CB 2.147 44.138 42.059 -0.114 0.000 1.339 482 L HN 0.989 nan 8.230 nan 0.000 0.409 483 H N 0.333 119.171 119.070 -0.385 0.000 2.985 483 H HA 0.496 5.052 4.556 0.000 0.000 0.360 483 H C -0.460 174.653 175.328 -0.358 0.000 1.221 483 H CA -0.584 55.158 56.048 -0.510 0.000 1.121 483 H CB 2.006 31.126 29.762 -1.069 0.000 1.854 483 H HN 0.474 nan 8.280 nan 0.000 0.551 484 S N -0.077 115.558 115.700 -0.108 0.000 2.489 484 S HA 0.310 4.780 4.470 0.000 0.000 0.291 484 S C 0.276 174.820 174.600 -0.093 0.000 1.151 484 S CA -0.539 57.538 58.200 -0.205 0.000 1.082 484 S CB 1.574 64.658 63.200 -0.193 0.000 1.019 484 S HN 0.548 nan 8.310 nan 0.000 0.492 485 S N 2.487 118.140 115.700 -0.079 0.000 2.414 485 S HA -0.086 4.384 4.470 0.000 0.000 0.227 485 S C 2.001 176.620 174.600 0.031 0.000 1.022 485 S CA 0.751 59.020 58.200 0.115 0.000 0.958 485 S CB -0.551 62.702 63.200 0.089 0.000 0.797 485 S HN 0.778 nan 8.310 nan 0.000 0.493 486 V N 2.826 122.710 119.914 -0.051 0.000 2.313 486 V HA -0.267 3.853 4.120 0.000 0.000 0.253 486 V C 1.458 177.549 176.094 -0.005 0.000 1.070 486 V CA 2.148 64.433 62.300 -0.025 0.000 1.057 486 V CB -0.415 31.375 31.823 -0.056 0.000 0.653 486 V HN 0.425 nan 8.190 nan 0.000 0.450 487 N N -1.459 117.237 118.700 -0.008 0.000 2.332 487 N HA 0.084 4.824 4.740 0.000 0.000 0.190 487 N C 0.297 175.819 175.510 0.020 0.000 1.117 487 N CA 0.807 53.859 53.050 0.004 0.000 0.883 487 N CB 0.253 38.739 38.487 -0.002 0.000 1.089 487 N HN 0.516 nan 8.380 nan 0.000 0.480 488 D N 0.517 120.953 120.400 0.059 0.000 2.800 488 D HA -0.173 4.467 4.640 0.000 0.000 0.232 488 D C -0.135 176.221 176.300 0.094 0.000 1.137 488 D CA 0.779 54.851 54.000 0.120 0.000 0.718 488 D CB -1.038 39.803 40.800 0.068 0.000 1.084 488 D HN 0.278 nan 8.370 nan 0.000 0.432 489 K N 0.766 121.194 120.400 0.046 0.000 2.248 489 K HA 0.434 4.754 4.320 0.000 0.000 0.281 489 K C 0.608 177.178 176.600 -0.049 0.000 1.054 489 K CA -0.246 56.045 56.287 0.007 0.000 0.903 489 K CB 0.990 33.481 32.500 -0.015 0.000 1.077 489 K HN 0.120 nan 8.250 nan 0.000 0.474 490 G N 4.949 113.686 108.800 -0.105 0.000 2.356 490 G HA2 0.136 4.096 3.960 0.000 0.000 0.273 490 G HA3 0.136 4.096 3.960 0.000 0.000 0.273 490 G C 0.868 175.593 174.900 -0.292 0.000 1.213 490 G CA -0.325 44.529 45.100 -0.411 0.000 0.955 490 G HN 0.632 nan 8.290 nan 0.000 0.454 491 L N 2.288 123.322 121.223 -0.315 0.000 2.042 491 L HA 0.301 4.642 4.340 0.000 0.000 0.204 491 L C 1.780 178.561 176.870 -0.150 0.000 1.130 491 L CA 0.768 55.512 54.840 -0.160 0.000 0.779 491 L CB -0.282 41.725 42.059 -0.087 0.000 0.918 491 L HN 0.640 nan 8.230 nan 0.000 0.450 492 R N -0.687 119.714 120.500 -0.164 0.000 2.888 492 R HA 0.572 4.912 4.340 0.000 0.000 0.264 492 R C -1.346 174.853 176.300 -0.169 0.000 1.045 492 R CA -0.770 55.252 56.100 -0.131 0.000 0.962 492 R CB 1.693 31.948 30.300 -0.075 0.000 1.210 492 R HN -0.136 nan 8.270 nan 0.000 0.479 493 V N 2.835 122.668 119.914 -0.135 0.000 2.432 493 V HA 0.150 4.270 4.120 0.000 0.000 0.275 493 V C 1.198 177.173 176.094 -0.197 0.000 1.043 493 V CA -0.340 61.876 62.300 -0.140 0.000 0.925 493 V CB 1.242 33.011 31.823 -0.090 0.000 0.985 493 V HN 0.683 nan 8.190 nan 0.000 0.466 494 L N 2.930 123.967 121.223 -0.310 0.000 2.168 494 L HA 0.295 4.635 4.340 0.000 0.000 0.203 494 L C 0.711 177.260 176.870 -0.535 0.000 1.078 494 L CA 0.679 55.133 54.840 -0.643 0.000 0.780 494 L CB 0.231 41.593 42.059 -1.162 0.000 0.939 494 L HN 0.699 nan 8.230 nan 0.000 0.451 495 E N -0.396 119.650 120.200 -0.256 0.000 2.378 495 E HA 0.119 4.469 4.350 0.000 0.000 0.283 495 E C -1.417 175.228 176.600 0.075 0.000 0.979 495 E CA -0.355 56.008 56.400 -0.063 0.000 0.795 495 E CB 1.298 30.959 29.700 -0.064 0.000 1.221 495 E HN 0.127 nan 8.360 nan 0.000 0.428 496 D N 2.712 123.144 120.400 0.053 0.000 2.538 496 D HA 0.130 4.770 4.640 0.000 0.000 0.241 496 D C -0.419 175.896 176.300 0.025 0.000 1.297 496 D CA -0.204 53.817 54.000 0.034 0.000 0.804 496 D CB -0.189 40.608 40.800 -0.005 0.000 1.122 496 D HN 0.439 nan 8.370 nan 0.000 0.519 497 N N 0.785 119.518 118.700 0.055 0.000 2.678 497 N HA -0.232 4.508 4.740 0.000 0.000 0.249 497 N C 1.153 176.674 175.510 0.018 0.000 1.119 497 N CA 1.104 54.181 53.050 0.045 0.000 0.718 497 N CB -1.618 36.891 38.487 0.037 0.000 1.060 497 N HN 0.543 nan 8.380 nan 0.000 0.552 498 S N -1.119 114.590 115.700 0.014 0.000 2.399 498 S HA -0.021 4.449 4.470 0.000 0.000 0.231 498 S C 2.128 176.743 174.600 0.025 0.000 1.022 498 S CA 0.977 59.182 58.200 0.008 0.000 0.983 498 S CB -0.218 62.986 63.200 0.006 0.000 0.803 498 S HN 0.534 nan 8.310 nan 0.000 0.480 499 A N 2.492 125.336 122.820 0.040 0.000 1.869 499 A HA -0.097 4.223 4.320 0.000 0.000 0.218 499 A C 2.275 179.902 177.584 0.071 0.000 1.203 499 A CA 1.954 54.024 52.037 0.055 0.000 0.638 499 A CB -1.146 17.892 19.000 0.063 0.000 0.831 499 A HN 0.602 nan 8.150 nan 0.000 0.450 500 L N -0.227 121.043 121.223 0.079 0.000 2.083 500 L HA -0.150 4.190 4.340 0.000 0.000 0.209 500 L C 1.894 178.805 176.870 0.069 0.000 1.083 500 L CA 2.689 57.593 54.840 0.106 0.000 0.752 500 L CB -0.591 41.535 42.059 0.112 0.000 0.899 500 L HN 0.424 nan 8.230 nan 0.000 0.433 501 D N -0.564 119.851 120.400 0.024 0.000 2.144 501 D HA -0.184 4.456 4.640 0.000 0.000 0.199 501 D C 1.940 178.248 176.300 0.013 0.000 0.984 501 D CA 0.929 54.925 54.000 -0.006 0.000 0.834 501 D CB 0.145 40.929 40.800 -0.027 0.000 0.955 501 D HN 0.280 nan 8.370 nan 0.000 0.465 502 K N 0.258 120.678 120.400 0.033 0.000 1.978 502 K HA -0.132 4.188 4.320 0.000 0.000 0.214 502 K C 2.382 179.018 176.600 0.060 0.000 1.049 502 K CA 0.834 57.145 56.287 0.041 0.000 0.939 502 K CB -0.962 31.566 32.500 0.048 0.000 0.721 502 K HN 0.310 nan 8.250 nan 0.000 0.441 503 M N 0.640 120.298 119.600 0.097 0.000 2.192 503 M HA -0.188 4.292 4.480 0.000 0.000 0.259 503 M C 2.169 178.525 176.300 0.093 0.000 1.071 503 M CA 1.458 56.854 55.300 0.159 0.000 1.082 503 M CB -0.318 32.453 32.600 0.285 0.000 1.373 503 M HN 0.069 nan 8.290 nan 0.000 0.408 504 L N -0.526 120.704 121.223 0.011 0.000 2.375 504 L HA -0.130 4.210 4.340 0.000 0.000 0.215 504 L C 2.424 179.267 176.870 -0.045 0.000 1.108 504 L CA 0.544 55.334 54.840 -0.082 0.000 0.830 504 L CB -0.288 41.721 42.059 -0.083 0.000 0.959 504 L HN 0.423 nan 8.230 nan 0.000 0.457 505 Q N -1.037 118.758 119.800 -0.007 0.000 2.378 505 Q HA -0.095 4.245 4.340 0.000 0.000 0.205 505 Q C 1.163 177.176 176.000 0.022 0.000 0.954 505 Q CA 0.778 56.584 55.803 0.004 0.000 0.901 505 Q CB -0.357 28.387 28.738 0.009 0.000 0.981 505 Q HN 0.339 nan 8.270 nan 0.000 0.483 506 N N 0.955 119.677 118.700 0.036 0.000 2.573 506 N HA -0.026 4.714 4.740 0.000 0.000 0.187 506 N C -0.158 175.388 175.510 0.060 0.000 1.107 506 N CA 0.391 53.476 53.050 0.058 0.000 0.918 506 N CB 0.561 39.101 38.487 0.088 0.000 0.966 506 N HN 0.178 nan 8.380 nan 0.000 0.448 507 V N -0.179 119.753 119.914 0.029 0.000 2.876 507 V HA 0.310 4.430 4.120 0.000 0.000 0.312 507 V C -1.248 174.850 176.094 0.007 0.000 1.085 507 V CA -0.893 61.425 62.300 0.030 0.000 0.945 507 V CB 2.037 33.867 31.823 0.012 0.000 1.017 507 V HN 0.020 nan 8.190 nan 0.000 0.428 508 Q N 6.288 126.099 119.800 0.019 0.000 2.452 508 Q HA 0.350 4.690 4.340 0.000 0.000 0.230 508 Q C -0.343 175.620 176.000 -0.062 0.000 1.180 508 Q CA -0.296 55.486 55.803 -0.034 0.000 0.914 508 Q CB 0.655 29.372 28.738 -0.034 0.000 1.408 508 Q HN 0.625 nan 8.270 nan 0.000 0.520 509 M N 2.643 122.196 119.600 -0.078 0.000 2.202 509 M HA 0.378 4.858 4.480 0.000 0.000 0.316 509 M C -2.097 174.127 176.300 -0.127 0.000 1.138 509 M CA -2.448 52.795 55.300 -0.096 0.000 1.151 509 M CB -0.475 32.080 32.600 -0.075 0.000 1.422 509 M HN 0.277 nan 8.290 nan 0.000 0.471 510 P HA 0.396 nan 4.420 nan 0.000 0.281 510 P C -1.090 176.127 177.300 -0.137 0.000 1.281 510 P CA -0.598 62.405 63.100 -0.161 0.000 0.811 510 P CB 0.745 32.331 31.700 -0.190 0.000 1.154 511 S N -1.287 114.322 115.700 -0.152 0.000 2.600 511 S HA 0.619 5.089 4.470 0.000 0.000 0.300 511 S C -0.784 173.728 174.600 -0.147 0.000 1.087 511 S CA -0.841 57.288 58.200 -0.120 0.000 0.965 511 S CB 1.565 64.702 63.200 -0.106 0.000 1.089 511 S HN 0.400 nan 8.310 nan 0.000 0.496 512 K N 1.256 121.595 120.400 -0.102 0.000 2.358 512 K HA 0.354 4.674 4.320 0.000 0.000 0.260 512 K C -0.972 175.578 176.600 -0.084 0.000 0.956 512 K CA -0.533 55.695 56.287 -0.099 0.000 0.834 512 K CB 1.030 33.491 32.500 -0.066 0.000 1.102 512 K HN 0.649 nan 8.250 nan 0.000 0.431 513 K N 4.994 125.331 120.400 -0.105 0.000 2.130 513 K HA 0.374 4.694 4.320 0.000 0.000 0.268 513 K C -1.270 175.284 176.600 -0.078 0.000 0.983 513 K CA -0.628 55.609 56.287 -0.084 0.000 0.893 513 K CB 0.985 33.427 32.500 -0.096 0.000 1.066 513 K HN 0.612 nan 8.250 nan 0.000 0.450 514 L N 3.490 124.675 121.223 -0.064 0.000 2.406 514 L HA 0.372 4.712 4.340 0.000 0.000 0.272 514 L C -1.301 175.545 176.870 -0.041 0.000 0.980 514 L CA -0.241 54.580 54.840 -0.032 0.000 0.831 514 L CB 1.712 43.824 42.059 0.088 0.000 1.253 514 L HN 0.819 nan 8.230 nan 0.000 0.406 515 D N 2.366 122.599 120.400 -0.279 0.000 2.851 515 D HA 0.510 5.150 4.640 0.000 0.000 0.339 515 D C -1.603 174.370 176.300 -0.546 0.000 1.347 515 D CA -0.098 53.666 54.000 -0.392 0.000 0.888 515 D CB 1.537 42.073 40.800 -0.439 0.000 1.431 515 D HN 0.211 nan 8.370 nan 0.000 0.509 516 F N -0.383 119.277 119.950 -0.483 0.000 2.650 516 F HA 0.776 5.303 4.527 0.000 0.000 0.320 516 F C -0.762 175.141 175.800 0.171 0.000 1.091 516 F CA -1.115 56.714 58.000 -0.284 0.000 0.962 516 F CB 0.784 39.145 39.000 -1.065 0.000 1.363 516 F HN 0.397 nan 8.300 nan 0.000 0.482 517 I N -0.450 120.424 120.570 0.507 0.000 3.170 517 I HA 0.774 4.944 4.170 0.000 0.000 0.312 517 I C -1.502 174.857 176.117 0.405 0.000 1.085 517 I CA -1.333 60.176 61.300 0.348 0.000 0.999 517 I CB 2.479 40.621 38.000 0.236 0.000 1.233 517 I HN 0.635 nan 8.210 nan 0.000 0.467 518 I N 2.995 123.730 120.570 0.275 0.000 2.436 518 I HA 0.459 4.629 4.170 0.000 0.000 0.289 518 I C -1.084 175.160 176.117 0.211 0.000 1.010 518 I CA -0.478 60.959 61.300 0.229 0.000 1.098 518 I CB 1.883 39.983 38.000 0.166 0.000 1.266 518 I HN 0.400 nan 8.210 nan 0.000 0.434 519 L N 5.974 127.370 121.223 0.288 0.000 2.385 519 L HA 0.464 4.804 4.340 0.000 0.000 0.273 519 L C 0.393 177.385 176.870 0.203 0.000 0.990 519 L CA -0.789 54.199 54.840 0.248 0.000 0.821 519 L CB 1.555 43.802 42.059 0.312 0.000 1.279 519 L HN 0.615 nan 8.230 nan 0.000 0.412 520 N N 2.729 121.497 118.700 0.113 0.000 2.707 520 N HA -0.223 4.517 4.740 0.000 0.000 0.253 520 N C -0.285 175.257 175.510 0.052 0.000 0.998 520 N CA 1.099 54.193 53.050 0.074 0.000 0.751 520 N CB -0.398 38.133 38.487 0.075 0.000 0.920 520 N HN 0.838 nan 8.380 nan 0.000 0.539 521 E N -2.532 117.693 120.200 0.043 0.000 2.539 521 E HA -0.236 4.114 4.350 0.000 0.000 0.253 521 E C -0.458 176.121 176.600 -0.035 0.000 1.145 521 E CA 1.503 57.909 56.400 0.010 0.000 0.738 521 E CB -1.510 28.193 29.700 0.005 0.000 1.308 521 E HN 0.629 nan 8.360 nan 0.000 0.409 522 T N -1.089 113.424 114.554 -0.067 0.000 2.863 522 T HA 0.540 4.890 4.350 0.000 0.000 0.285 522 T C -0.149 174.344 174.700 -0.344 0.000 1.009 522 T CA -1.364 60.590 62.100 -0.243 0.000 0.989 522 T CB 1.806 70.453 68.868 -0.367 0.000 1.004 522 T HN 0.172 nan 8.240 nan 0.000 0.455 523 K N 1.607 121.764 120.400 -0.405 0.000 2.205 523 K HA 0.579 4.899 4.320 0.000 0.000 0.279 523 K C -1.299 174.992 176.600 -0.515 0.000 1.027 523 K CA -0.614 55.435 56.287 -0.395 0.000 0.932 523 K CB 0.554 32.601 32.500 -0.755 0.000 1.032 523 K HN 0.478 nan 8.250 nan 0.000 0.466 524 F N 1.722 121.722 119.950 0.083 0.000 2.467 524 F HA 0.326 4.853 4.527 0.000 0.000 0.336 524 F C -0.417 175.487 175.800 0.172 0.000 1.123 524 F CA -0.870 57.204 58.000 0.124 0.000 0.964 524 F CB 0.985 40.067 39.000 0.136 0.000 1.136 524 F HN 0.502 nan 8.300 nan 0.000 0.447 525 W N 3.355 124.817 121.300 0.270 0.000 2.183 525 W HA 0.465 5.125 4.660 0.000 0.000 0.348 525 W C -0.549 176.201 176.519 0.385 0.000 1.257 525 W CA -0.313 57.217 57.345 0.309 0.000 1.324 525 W CB 0.435 29.998 29.460 0.172 0.000 1.144 525 W HN 0.452 nan 8.180 nan 0.000 0.622 526 Y N -0.877 119.754 120.300 0.552 0.000 2.638 526 Y HA 0.567 5.117 4.550 0.000 0.000 0.335 526 Y C -1.061 175.066 175.900 0.378 0.000 1.155 526 Y CA -1.845 56.569 58.100 0.523 0.000 1.046 526 Y CB 0.916 39.835 38.460 0.765 0.000 1.303 526 Y HN 0.570 nan 8.280 nan 0.000 0.460 527 Q N 2.371 122.400 119.800 0.382 0.000 2.451 527 Q HA 0.829 5.169 4.340 0.000 0.000 0.281 527 Q C -1.788 174.322 176.000 0.183 0.000 1.099 527 Q CA -1.224 54.674 55.803 0.160 0.000 0.806 527 Q CB 3.458 32.262 28.738 0.111 0.000 1.419 527 Q HN 0.850 nan 8.270 nan 0.000 0.427 528 M N 2.099 121.724 119.600 0.043 0.000 2.324 528 M HA 0.433 4.913 4.480 0.000 0.000 0.288 528 M C -1.376 174.846 176.300 -0.130 0.000 1.097 528 M CA -0.859 54.409 55.300 -0.054 0.000 0.928 528 M CB 2.379 34.911 32.600 -0.114 0.000 1.648 528 M HN 0.610 nan 8.290 nan 0.000 0.460 529 I N 4.880 125.363 120.570 -0.144 0.000 2.297 529 I HA 0.393 4.563 4.170 0.000 0.000 0.291 529 I C -0.524 175.428 176.117 -0.275 0.000 1.033 529 I CA -0.313 60.876 61.300 -0.185 0.000 1.253 529 I CB 0.348 38.258 38.000 -0.150 0.000 1.396 529 I HN 0.636 nan 8.210 nan 0.000 0.476 530 L N 8.349 129.362 121.223 -0.350 0.000 2.309 530 L HA 0.460 4.800 4.340 0.000 0.000 0.282 530 L C -2.193 174.471 176.870 -0.344 0.000 1.036 530 L CA -1.809 52.719 54.840 -0.520 0.000 0.806 530 L CB 1.319 42.930 42.059 -0.746 0.000 1.220 530 L HN 0.273 nan 8.230 nan 0.000 0.429 531 P HA 0.087 nan 4.420 nan 0.000 0.269 531 P C -2.481 174.752 177.300 -0.111 0.000 1.215 531 P CA -1.047 61.960 63.100 -0.156 0.000 0.780 531 P CB -0.311 31.359 31.700 -0.051 0.000 0.898 532 P HA -0.080 nan 4.420 nan 0.000 0.268 532 P C -0.102 177.063 177.300 -0.225 0.000 1.208 532 P CA 0.688 63.616 63.100 -0.287 0.000 0.777 532 P CB -0.146 31.294 31.700 -0.434 0.000 0.875 533 H N -1.397 117.706 119.070 0.055 0.000 2.655 533 H HA -0.218 4.338 4.556 0.000 0.000 0.313 533 H C -0.000 175.382 175.328 0.091 0.000 1.141 533 H CA 0.130 56.212 56.048 0.056 0.000 1.138 533 H CB -2.577 27.209 29.762 0.041 0.000 1.446 533 H HN 0.405 nan 8.280 nan 0.000 0.415 534 F N 2.880 122.820 119.950 -0.016 0.000 2.557 534 F HA 0.169 4.696 4.527 0.000 0.000 0.384 534 F C 0.456 176.249 175.800 -0.012 0.000 1.057 534 F CA -0.689 57.254 58.000 -0.095 0.000 1.169 534 F CB 0.479 39.303 39.000 -0.293 0.000 1.070 534 F HN 0.169 nan 8.300 nan 0.000 0.554 535 D N 6.900 127.036 120.400 -0.439 0.000 2.427 535 D HA 0.091 4.731 4.640 0.000 0.000 0.226 535 D C 0.614 176.491 176.300 -0.706 0.000 1.076 535 D CA -0.586 53.153 54.000 -0.435 0.000 0.849 535 D CB 0.928 41.650 40.800 -0.130 0.000 1.052 535 D HN 0.660 nan 8.370 nan 0.000 0.515 536 K N 2.091 122.008 120.400 -0.806 0.000 2.643 536 K HA -0.043 4.277 4.320 0.000 0.000 0.193 536 K C 0.113 176.644 176.600 -0.116 0.000 1.027 536 K CA 0.275 56.172 56.287 -0.650 0.000 1.033 536 K CB -0.350 31.935 32.500 -0.359 0.000 0.827 536 K HN 0.227 nan 8.250 nan 0.000 0.500 537 S N -0.702 114.938 115.700 -0.101 0.000 2.855 537 S HA 0.304 4.774 4.470 0.000 0.000 0.249 537 S C -0.326 174.263 174.600 -0.017 0.000 1.033 537 S CA -0.802 57.392 58.200 -0.010 0.000 1.038 537 S CB 0.320 63.499 63.200 -0.035 0.000 0.960 537 S HN 0.173 nan 8.310 nan 0.000 0.548 538 K N 1.163 121.556 120.400 -0.012 0.000 2.238 538 K HA 0.515 4.835 4.320 0.000 0.000 0.239 538 K C -0.713 175.863 176.600 -0.040 0.000 0.987 538 K CA -0.961 55.257 56.287 -0.114 0.000 0.857 538 K CB 0.843 33.149 32.500 -0.324 0.000 1.154 538 K HN -0.088 nan 8.250 nan 0.000 0.439 539 K N 2.467 122.778 120.400 -0.149 0.000 2.299 539 K HA 0.226 4.546 4.320 0.000 0.000 0.268 539 K C -0.973 175.533 176.600 -0.156 0.000 1.075 539 K CA -0.183 56.069 56.287 -0.059 0.000 0.936 539 K CB 0.264 32.722 32.500 -0.070 0.000 1.228 539 K HN 0.456 nan 8.250 nan 0.000 0.454 540 Y N 3.117 123.465 120.300 0.080 0.000 2.320 540 Y HA 0.240 4.790 4.550 0.000 0.000 0.324 540 Y C -1.677 174.181 175.900 -0.070 0.000 1.190 540 Y CA -2.173 55.948 58.100 0.036 0.000 1.215 540 Y CB 0.659 39.199 38.460 0.133 0.000 1.221 540 Y HN 0.430 nan 8.280 nan 0.000 0.486 541 P HA 0.247 nan 4.420 nan 0.000 0.282 541 P C -1.263 175.926 177.300 -0.186 0.000 1.249 541 P CA -0.392 62.488 63.100 -0.367 0.000 0.806 541 P CB 1.542 32.742 31.700 -0.833 0.000 0.984 542 L N 3.047 124.182 121.223 -0.147 0.000 2.385 542 L HA 0.515 4.855 4.340 0.000 0.000 0.273 542 L C -1.206 175.860 176.870 0.327 0.000 0.990 542 L CA -0.884 54.015 54.840 0.099 0.000 0.821 542 L CB 1.396 43.506 42.059 0.084 0.000 1.279 542 L HN 0.239 nan 8.230 nan 0.000 0.412 543 L N 5.547 126.977 121.223 0.344 0.000 2.287 543 L HA 0.434 4.774 4.340 0.000 0.000 0.287 543 L C -1.110 175.991 176.870 0.386 0.000 1.022 543 L CA -0.897 54.195 54.840 0.421 0.000 0.814 543 L CB 1.720 43.986 42.059 0.345 0.000 1.217 543 L HN 0.599 nan 8.230 nan 0.000 0.420 544 L N 5.091 126.587 121.223 0.455 0.000 2.260 544 L HA 0.327 4.667 4.340 0.000 0.000 0.289 544 L C -0.458 176.645 176.870 0.387 0.000 1.057 544 L CA 0.058 55.152 54.840 0.423 0.000 0.811 544 L CB 0.988 43.339 42.059 0.486 0.000 1.184 544 L HN 0.464 nan 8.230 nan 0.000 0.429 545 D N 4.359 124.955 120.400 0.327 0.000 2.412 545 D HA 0.269 4.909 4.640 0.000 0.000 0.224 545 D C -1.044 175.321 176.300 0.107 0.000 1.093 545 D CA -0.039 54.075 54.000 0.190 0.000 0.850 545 D CB 1.194 42.176 40.800 0.304 0.000 1.046 545 D HN 0.310 nan 8.370 nan 0.000 0.507 546 V N 5.450 125.365 119.914 0.002 0.000 2.581 546 V HA 0.457 4.577 4.120 0.000 0.000 0.303 546 V C -0.800 175.380 176.094 0.143 0.000 1.041 546 V CA -0.349 62.015 62.300 0.107 0.000 0.907 546 V CB 1.638 33.530 31.823 0.115 0.000 0.994 546 V HN 0.680 nan 8.190 nan 0.000 0.442 547 Y N 5.292 125.644 120.300 0.086 0.000 2.972 547 Y HA 0.533 5.084 4.550 0.000 0.000 0.229 547 Y C 1.613 177.607 175.900 0.156 0.000 0.980 547 Y CA 1.058 59.230 58.100 0.121 0.000 1.475 547 Y CB 0.385 38.900 38.460 0.092 0.000 1.459 547 Y HN 0.962 nan 8.280 nan 0.000 0.460 548 A N 0.674 123.519 122.820 0.042 0.000 3.201 548 A HA -0.166 4.154 4.320 0.000 0.000 0.260 548 A C 0.901 178.210 177.584 -0.457 0.000 1.222 548 A CA 0.807 52.805 52.037 -0.065 0.000 1.124 548 A CB -2.605 16.445 19.000 0.082 0.000 1.155 548 A HN 0.925 nan 8.150 nan 0.000 0.924 549 G N -0.658 107.577 108.800 -0.942 0.000 2.606 549 G HA2 0.469 4.429 3.960 0.000 0.000 0.252 549 G HA3 0.469 4.429 3.960 0.000 0.000 0.252 549 G C -2.252 172.357 174.900 -0.484 0.000 1.206 549 G CA -0.690 43.610 45.100 -1.334 0.000 0.861 549 G HN 0.273 nan 8.290 nan 0.000 0.561 550 P HA 0.090 nan 4.420 nan 0.000 0.260 550 P C 0.547 177.797 177.300 -0.083 0.000 1.185 550 P CA 0.163 63.071 63.100 -0.320 0.000 0.763 550 P CB 0.608 31.805 31.700 -0.839 0.000 0.776 551 C N 2.673 121.952 119.300 -0.036 0.000 4.552 551 C HA -0.149 4.311 4.460 0.000 0.000 0.268 551 C C 1.029 176.087 174.990 0.113 0.000 1.288 551 C CA 1.129 60.086 59.018 -0.101 0.000 1.776 551 C CB -2.582 24.912 27.740 -0.410 0.000 1.415 551 C HN 0.772 nan 8.230 nan 0.000 0.729 552 S N 0.077 115.904 115.700 0.212 0.000 2.669 552 S HA 0.604 5.074 4.470 0.000 0.000 0.270 552 S C -0.538 174.246 174.600 0.307 0.000 1.225 552 S CA 0.327 58.733 58.200 0.344 0.000 0.991 552 S CB 1.614 65.082 63.200 0.446 0.000 0.987 552 S HN 0.896 nan 8.310 nan 0.000 0.552 553 Q N -0.076 119.917 119.800 0.323 0.000 2.759 553 Q HA 0.299 4.639 4.340 0.000 0.000 0.225 553 Q C -0.741 175.379 176.000 0.200 0.000 0.823 553 Q CA -0.617 55.353 55.803 0.278 0.000 0.828 553 Q CB 0.848 29.796 28.738 0.351 0.000 1.425 553 Q HN 0.614 nan 8.270 nan 0.000 0.449 554 K N 0.884 121.400 120.400 0.192 0.000 2.379 554 K HA 0.289 4.609 4.320 0.000 0.000 0.194 554 K C -0.103 176.588 176.600 0.152 0.000 1.031 554 K CA 0.545 56.931 56.287 0.164 0.000 1.037 554 K CB 1.002 33.621 32.500 0.199 0.000 0.824 554 K HN 0.513 nan 8.250 nan 0.000 0.516 555 A N 2.642 125.564 122.820 0.169 0.000 2.412 555 A HA 0.379 4.699 4.320 0.000 0.000 0.334 555 A C -0.770 176.877 177.584 0.105 0.000 1.419 555 A CA -0.622 51.517 52.037 0.170 0.000 0.930 555 A CB -0.059 19.103 19.000 0.269 0.000 1.149 555 A HN 0.245 nan 8.150 nan 0.000 0.515 556 D N -0.297 120.135 120.400 0.053 0.000 2.732 556 D HA 0.473 5.113 4.640 0.000 0.000 0.292 556 D C 0.573 176.869 176.300 -0.008 0.000 1.135 556 D CA 0.198 54.211 54.000 0.021 0.000 1.071 556 D CB 0.461 41.249 40.800 -0.020 0.000 1.457 556 D HN 0.113 nan 8.370 nan 0.000 0.547 557 T N -2.373 112.187 114.554 0.011 0.000 3.188 557 T HA 0.256 4.606 4.350 0.000 0.000 0.250 557 T C 0.537 175.184 174.700 -0.088 0.000 1.077 557 T CA -0.400 61.705 62.100 0.009 0.000 0.967 557 T CB -0.622 68.303 68.868 0.095 0.000 1.006 557 T HN 0.249 nan 8.240 nan 0.000 0.552 558 V N 2.406 122.160 119.914 -0.267 0.000 2.740 558 V HA 0.274 4.394 4.120 0.000 0.000 0.303 558 V C 0.160 176.191 176.094 -0.105 0.000 1.054 558 V CA -0.786 61.336 62.300 -0.296 0.000 1.106 558 V CB 0.074 31.620 31.823 -0.461 0.000 0.957 558 V HN 0.540 nan 8.190 nan 0.000 0.486 559 F N 6.051 125.900 119.950 -0.169 0.000 2.424 559 F HA 0.553 5.080 4.527 0.000 0.000 0.356 559 F C 0.482 176.219 175.800 -0.105 0.000 1.110 559 F CA -0.222 57.705 58.000 -0.123 0.000 1.161 559 F CB 0.291 39.228 39.000 -0.106 0.000 1.115 559 F HN 0.409 nan 8.300 nan 0.000 0.507 560 R N 6.505 126.523 120.500 -0.803 0.000 2.686 560 R HA 0.535 4.875 4.340 0.000 0.000 0.283 560 R C -1.605 174.270 176.300 -0.709 0.000 0.978 560 R CA -1.044 54.720 56.100 -0.560 0.000 0.897 560 R CB 2.157 32.278 30.300 -0.297 0.000 1.192 560 R HN 0.657 nan 8.270 nan 0.000 0.457 561 L N 4.249 125.231 121.223 -0.401 0.000 2.313 561 L HA 0.404 4.744 4.340 0.000 0.000 0.273 561 L C -0.757 176.039 176.870 -0.123 0.000 1.028 561 L CA -0.635 54.021 54.840 -0.308 0.000 0.871 561 L CB 0.530 42.562 42.059 -0.046 0.000 1.242 561 L HN 0.756 nan 8.230 nan 0.000 0.434 562 N N -0.072 118.469 118.700 -0.266 0.000 3.204 562 N HA 0.149 4.889 4.740 0.000 0.000 0.285 562 N C 0.142 175.309 175.510 -0.570 0.000 1.536 562 N CA -0.957 51.851 53.050 -0.403 0.000 0.832 562 N CB 0.226 38.619 38.487 -0.157 0.000 1.645 562 N HN 0.250 nan 8.380 nan 0.000 0.586 563 W N 0.625 121.276 121.300 -1.082 0.000 2.296 563 W HA -0.109 4.551 4.660 0.000 0.000 0.296 563 W C 1.948 178.411 176.519 -0.093 0.000 1.220 563 W CA 3.108 60.112 57.345 -0.568 0.000 1.223 563 W CB -0.927 28.358 29.460 -0.291 0.000 1.139 563 W HN 0.744 nan 8.180 nan 0.000 0.534 564 A N -1.059 121.719 122.820 -0.071 0.000 1.930 564 A HA -0.178 4.142 4.320 0.000 0.000 0.217 564 A C 1.965 179.425 177.584 -0.208 0.000 1.175 564 A CA 2.323 54.268 52.037 -0.152 0.000 0.627 564 A CB -1.246 17.735 19.000 -0.033 0.000 0.815 564 A HN 0.273 nan 8.150 nan 0.000 0.443 565 T N -1.075 113.344 114.554 -0.225 0.000 2.684 565 T HA -0.231 4.119 4.350 0.000 0.000 0.267 565 T C 1.801 176.448 174.700 -0.090 0.000 1.036 565 T CA 1.840 63.762 62.100 -0.297 0.000 1.148 565 T CB -0.527 67.956 68.868 -0.642 0.000 0.863 565 T HN 0.657 nan 8.240 nan 0.000 0.436 566 Y N 1.940 122.260 120.300 0.032 0.000 2.128 566 Y HA -0.087 4.463 4.550 0.000 0.000 0.284 566 Y C 1.998 177.870 175.900 -0.047 0.000 1.154 566 Y CA 1.107 59.302 58.100 0.158 0.000 1.149 566 Y CB -0.707 37.860 38.460 0.179 0.000 0.976 566 Y HN 0.125 nan 8.280 nan 0.000 0.505 567 L N -0.035 120.847 121.223 -0.568 0.000 2.131 567 L HA -0.196 4.144 4.340 0.000 0.000 0.210 567 L C 2.739 179.369 176.870 -0.400 0.000 1.092 567 L CA 1.128 55.562 54.840 -0.676 0.000 0.759 567 L CB -0.863 40.834 42.059 -0.604 0.000 0.903 567 L HN 0.436 nan 8.230 nan 0.000 0.435 568 A N -1.031 121.619 122.820 -0.283 0.000 1.850 568 A HA -0.169 4.151 4.320 0.000 0.000 0.212 568 A C 2.491 179.979 177.584 -0.160 0.000 1.208 568 A CA 1.493 53.412 52.037 -0.197 0.000 0.609 568 A CB -0.801 18.081 19.000 -0.198 0.000 0.860 568 A HN 0.304 nan 8.150 nan 0.000 0.448 569 S N -0.812 114.803 115.700 -0.140 0.000 2.359 569 S HA -0.172 4.298 4.470 0.000 0.000 0.222 569 S C 1.958 176.528 174.600 -0.050 0.000 1.038 569 S CA 2.556 60.716 58.200 -0.067 0.000 1.051 569 S CB -0.595 62.618 63.200 0.022 0.000 0.944 569 S HN 0.561 nan 8.310 nan 0.000 0.433 570 T N 0.933 115.424 114.554 -0.105 0.000 3.035 570 T HA 0.197 4.547 4.350 0.000 0.000 0.259 570 T C 1.261 175.881 174.700 -0.132 0.000 1.078 570 T CA 0.613 62.664 62.100 -0.080 0.000 1.132 570 T CB -0.008 68.857 68.868 -0.005 0.000 0.900 570 T HN 0.379 nan 8.240 nan 0.000 0.480 571 E N 0.964 121.017 120.200 -0.245 0.000 2.526 571 E HA 0.172 4.522 4.350 0.000 0.000 0.208 571 E C -0.258 176.310 176.600 -0.053 0.000 0.997 571 E CA -0.102 56.202 56.400 -0.160 0.000 0.961 571 E CB -0.028 29.517 29.700 -0.258 0.000 1.030 571 E HN 0.508 nan 8.360 nan 0.000 0.483 572 N N 1.151 119.831 118.700 -0.033 0.000 2.688 572 N HA -0.197 4.543 4.740 0.000 0.000 0.258 572 N C -0.880 174.701 175.510 0.117 0.000 1.016 572 N CA 0.429 53.529 53.050 0.083 0.000 0.747 572 N CB -1.277 37.319 38.487 0.183 0.000 0.895 572 N HN 0.233 nan 8.380 nan 0.000 0.543 573 I N 0.777 121.354 120.570 0.011 0.000 2.474 573 I HA 0.386 4.556 4.170 0.000 0.000 0.294 573 I C 0.476 176.569 176.117 -0.040 0.000 1.005 573 I CA -0.987 60.334 61.300 0.035 0.000 1.113 573 I CB 1.496 39.530 38.000 0.057 0.000 1.289 573 I HN 0.083 nan 8.210 nan 0.000 0.436 574 I N 6.361 126.914 120.570 -0.028 0.000 2.396 574 I HA 0.173 4.343 4.170 0.000 0.000 0.289 574 I C -0.348 175.751 176.117 -0.030 0.000 1.056 574 I CA -0.481 60.752 61.300 -0.112 0.000 1.365 574 I CB 0.954 38.874 38.000 -0.134 0.000 1.407 574 I HN 0.180 nan 8.210 nan 0.000 0.509 575 V N 6.700 126.583 119.914 -0.052 0.000 2.328 575 V HA 0.569 4.689 4.120 0.000 0.000 0.278 575 V C 0.450 176.569 176.094 0.042 0.000 1.021 575 V CA -0.398 61.924 62.300 0.036 0.000 0.838 575 V CB 1.081 32.919 31.823 0.023 0.000 0.999 575 V HN 0.857 nan 8.190 nan 0.000 0.447 576 A N 4.113 126.993 122.820 0.099 0.000 2.337 576 A HA 0.946 5.266 4.320 0.000 0.000 0.331 576 A C -0.140 177.600 177.584 0.259 0.000 1.137 576 A CA -0.510 51.589 52.037 0.104 0.000 0.807 576 A CB 1.626 20.576 19.000 -0.085 0.000 1.250 576 A HN 0.685 nan 8.150 nan 0.000 0.468 577 S N -0.117 115.780 115.700 0.327 0.000 2.541 577 S HA 0.693 5.163 4.470 0.000 0.000 0.280 577 S C -1.486 173.455 174.600 0.568 0.000 1.112 577 S CA -0.308 58.129 58.200 0.394 0.000 0.925 577 S CB 1.287 64.656 63.200 0.282 0.000 1.067 577 S HN 0.724 nan 8.310 nan 0.000 0.479 578 F N 2.111 122.285 119.950 0.373 0.000 2.518 578 F HA 0.468 4.995 4.527 0.000 0.000 0.323 578 F C -1.220 174.766 175.800 0.309 0.000 1.129 578 F CA -0.862 57.373 58.000 0.392 0.000 0.920 578 F CB 1.342 40.529 39.000 0.312 0.000 1.160 578 F HN 0.396 nan 8.300 nan 0.000 0.440 579 D N 5.068 125.289 120.400 -0.298 0.000 2.500 579 D HA 0.290 4.930 4.640 0.000 0.000 0.219 579 D C 0.565 176.558 176.300 -0.512 0.000 1.137 579 D CA 0.180 54.050 54.000 -0.217 0.000 0.946 579 D CB 1.115 41.953 40.800 0.063 0.000 1.022 579 D HN 0.750 nan 8.370 nan 0.000 0.518 580 G N 1.072 109.568 108.800 -0.507 0.000 2.666 580 G HA2 0.197 4.157 3.960 0.000 0.000 0.207 580 G HA3 0.197 4.157 3.960 0.000 0.000 0.207 580 G C 0.277 175.112 174.900 -0.108 0.000 1.481 580 G CA -0.631 44.223 45.100 -0.410 0.000 1.071 580 G HN 0.271 nan 8.290 nan 0.000 0.572 581 R N -0.615 119.813 120.500 -0.121 0.000 2.590 581 R HA 0.401 4.741 4.340 0.000 0.000 0.274 581 R C 1.161 177.515 176.300 0.090 0.000 1.061 581 R CA 1.250 57.377 56.100 0.045 0.000 1.081 581 R CB 0.693 30.999 30.300 0.010 0.000 0.984 581 R HN 0.969 nan 8.270 nan 0.000 0.448 582 G N 1.170 110.031 108.800 0.101 0.000 2.279 582 G HA2 -0.324 3.636 3.960 0.000 0.000 0.223 582 G HA3 -0.324 3.636 3.960 0.000 0.000 0.223 582 G C 0.106 175.030 174.900 0.040 0.000 1.015 582 G CA 0.105 45.253 45.100 0.080 0.000 0.621 582 G HN 0.698 nan 8.290 nan 0.000 0.506 583 S N 0.608 116.339 115.700 0.052 0.000 2.576 583 S HA 0.589 5.059 4.470 0.000 0.000 0.272 583 S C 0.881 175.477 174.600 -0.006 0.000 1.352 583 S CA 0.462 58.694 58.200 0.054 0.000 1.021 583 S CB 1.720 64.981 63.200 0.102 0.000 0.887 583 S HN 1.672 nan 8.310 nan 0.000 0.542 584 G N -0.764 107.997 108.800 -0.066 0.000 2.613 584 G HA2 0.512 4.472 3.960 0.000 0.000 0.303 584 G HA3 0.512 4.472 3.960 0.000 0.000 0.303 584 G C -0.832 173.935 174.900 -0.221 0.000 1.312 584 G CA -1.006 43.892 45.100 -0.336 0.000 1.036 584 G HN 0.921 nan 8.290 nan 0.000 0.513 585 Y N -2.616 117.674 120.300 -0.016 0.000 4.929 585 Y HA -0.220 4.330 4.550 0.000 0.000 0.253 585 Y C 1.525 177.426 175.900 0.002 0.000 0.946 585 Y CA 1.134 59.235 58.100 0.001 0.000 1.905 585 Y CB -1.851 36.628 38.460 0.032 0.000 1.400 585 Y HN 0.501 nan 8.280 nan 0.000 0.531 586 Q N 0.498 120.315 119.800 0.029 0.000 2.157 586 Q HA 0.500 4.840 4.340 0.000 0.000 0.229 586 Q C 1.018 176.917 176.000 -0.168 0.000 0.827 586 Q CA 0.263 56.086 55.803 0.032 0.000 1.055 586 Q CB 1.263 30.030 28.738 0.048 0.000 1.157 586 Q HN 0.550 nan 8.270 nan 0.000 0.482 587 G N 0.819 109.403 108.800 -0.361 0.000 2.787 587 G HA2 -0.230 3.730 3.960 0.000 0.000 0.685 587 G HA3 -0.230 3.730 3.960 0.000 0.000 0.685 587 G C -0.287 174.253 174.900 -0.601 0.000 1.437 587 G CA -0.450 44.167 45.100 -0.805 0.000 0.872 587 G HN 0.237 nan 8.290 nan 0.000 0.566 588 D N -0.101 119.902 120.400 -0.660 0.000 2.264 588 D HA -0.037 4.603 4.640 0.000 0.000 0.208 588 D C 2.215 178.237 176.300 -0.462 0.000 0.966 588 D CA 1.220 54.809 54.000 -0.685 0.000 0.864 588 D CB 0.052 40.428 40.800 -0.707 0.000 0.933 588 D HN 0.547 nan 8.370 nan 0.000 0.499 589 K N 0.300 120.498 120.400 -0.336 0.000 2.097 589 K HA -0.044 4.276 4.320 0.000 0.000 0.205 589 K C 1.946 178.481 176.600 -0.109 0.000 1.050 589 K CA 0.673 56.854 56.287 -0.177 0.000 0.938 589 K CB 0.107 32.527 32.500 -0.134 0.000 0.718 589 K HN 0.135 nan 8.250 nan 0.000 0.442 590 I N 0.254 120.748 120.570 -0.127 0.000 2.400 590 I HA -0.205 3.965 4.170 0.000 0.000 0.248 590 I C 2.548 178.654 176.117 -0.017 0.000 1.109 590 I CA 0.661 61.953 61.300 -0.013 0.000 1.425 590 I CB -0.191 37.821 38.000 0.021 0.000 1.094 590 I HN 0.279 nan 8.210 nan 0.000 0.425 591 M N 0.597 120.113 119.600 -0.141 0.000 2.064 591 M HA -0.209 4.271 4.480 0.000 0.000 0.260 591 M C 2.106 178.420 176.300 0.022 0.000 1.073 591 M CA 2.005 57.237 55.300 -0.114 0.000 1.124 591 M CB -0.360 32.054 32.600 -0.309 0.000 1.326 591 M HN 0.210 nan 8.290 nan 0.000 0.410 592 H N -0.459 118.514 119.070 -0.161 0.000 2.563 592 H HA 0.107 4.663 4.556 0.000 0.000 0.272 592 H C 1.705 177.053 175.328 0.033 0.000 1.005 592 H CA 0.140 56.102 56.048 -0.143 0.000 1.171 592 H CB -0.011 29.579 29.762 -0.287 0.000 1.351 592 H HN 0.540 nan 8.280 nan 0.000 0.602 593 A N 1.284 124.206 122.820 0.170 0.000 2.178 593 A HA -0.102 4.218 4.320 0.000 0.000 0.218 593 A C 1.982 179.780 177.584 0.357 0.000 1.157 593 A CA 0.979 53.141 52.037 0.207 0.000 0.689 593 A CB -0.695 18.376 19.000 0.118 0.000 0.787 593 A HN 0.611 nan 8.150 nan 0.000 0.465 594 I N -4.174 116.573 120.570 0.295 0.000 4.082 594 I HA 0.178 4.348 4.170 0.000 0.000 0.337 594 I C 0.479 176.687 176.117 0.151 0.000 1.352 594 I CA -0.588 60.851 61.300 0.232 0.000 1.097 594 I CB -0.311 37.789 38.000 0.168 0.000 1.048 594 I HN 0.111 nan 8.210 nan 0.000 0.393 595 N N 3.460 122.291 118.700 0.218 0.000 2.292 595 N HA -0.124 4.616 4.740 0.000 0.000 0.258 595 N C 0.212 175.733 175.510 0.018 0.000 1.261 595 N CA 0.737 53.899 53.050 0.187 0.000 0.845 595 N CB 0.341 38.920 38.487 0.154 0.000 1.064 595 N HN 0.390 nan 8.380 nan 0.000 0.471 596 R N 0.831 121.299 120.500 -0.053 0.000 3.863 596 R HA -0.205 4.135 4.340 0.000 0.000 0.313 596 R C 0.176 176.283 176.300 -0.322 0.000 1.202 596 R CA 0.969 56.948 56.100 -0.202 0.000 0.852 596 R CB -1.139 29.034 30.300 -0.212 0.000 1.292 596 R HN 0.688 nan 8.270 nan 0.000 0.519 597 R N 0.343 120.744 120.500 -0.165 0.000 2.481 597 R HA 0.144 4.484 4.340 0.000 0.000 0.396 597 R C -0.937 175.344 176.300 -0.032 0.000 0.950 597 R CA -0.496 55.576 56.100 -0.048 0.000 1.095 597 R CB 0.417 30.679 30.300 -0.064 0.000 1.472 597 R HN -0.105 nan 8.270 nan 0.000 0.628 598 L N 0.268 121.440 121.223 -0.086 0.000 2.439 598 L HA 0.352 4.692 4.340 0.000 0.000 0.269 598 L C 1.329 178.301 176.870 0.171 0.000 1.179 598 L CA 1.700 56.519 54.840 -0.036 0.000 0.828 598 L CB 1.058 42.900 42.059 -0.363 0.000 1.106 598 L HN 0.518 nan 8.230 nan 0.000 0.467 599 G N 1.226 110.220 108.800 0.323 0.000 2.198 599 G HA2 -0.315 3.645 3.960 0.000 0.000 0.257 599 G HA3 -0.315 3.645 3.960 0.000 0.000 0.257 599 G C 0.579 175.538 174.900 0.099 0.000 1.042 599 G CA 1.049 46.339 45.100 0.317 0.000 0.791 599 G HN 0.972 nan 8.290 nan 0.000 0.502 600 T N -4.368 110.207 114.554 0.035 0.000 3.447 600 T HA 0.423 4.773 4.350 0.000 0.000 0.218 600 T C 1.716 176.410 174.700 -0.010 0.000 0.972 600 T CA 1.028 63.076 62.100 -0.088 0.000 1.264 600 T CB 0.051 68.738 68.868 -0.301 0.000 1.284 600 T HN 0.097 nan 8.240 nan 0.000 0.361 601 F N 3.478 123.467 119.950 0.064 0.000 2.084 601 F HA 0.137 4.664 4.527 0.000 0.000 0.296 601 F C 2.852 178.678 175.800 0.042 0.000 1.111 601 F CA 1.302 59.328 58.000 0.044 0.000 1.224 601 F CB -0.735 38.293 39.000 0.045 0.000 0.991 601 F HN 0.427 nan 8.300 nan 0.000 0.471 602 E N 1.062 121.420 120.200 0.263 0.000 2.209 602 E HA -0.183 4.167 4.350 0.000 0.000 0.196 602 E C 2.236 178.931 176.600 0.158 0.000 0.993 602 E CA 1.572 58.083 56.400 0.185 0.000 0.819 602 E CB -1.398 28.401 29.700 0.166 0.000 0.745 602 E HN 0.359 nan 8.360 nan 0.000 0.477 603 V N 0.505 120.496 119.914 0.127 0.000 2.446 603 V HA -0.140 3.980 4.120 0.000 0.000 0.244 603 V C 2.051 178.176 176.094 0.052 0.000 1.039 603 V CA 1.860 64.193 62.300 0.055 0.000 1.045 603 V CB -0.224 31.579 31.823 -0.034 0.000 0.681 603 V HN 0.132 nan 8.190 nan 0.000 0.459 604 E N 0.097 120.344 120.200 0.078 0.000 2.085 604 E HA -0.245 4.105 4.350 0.000 0.000 0.194 604 E C 1.910 178.532 176.600 0.037 0.000 0.994 604 E CA 1.851 58.291 56.400 0.067 0.000 0.801 604 E CB -0.186 29.587 29.700 0.122 0.000 0.743 604 E HN 0.640 nan 8.360 nan 0.000 0.453 605 D N -0.040 120.395 120.400 0.059 0.000 2.219 605 D HA -0.140 4.500 4.640 0.000 0.000 0.205 605 D C 1.843 178.132 176.300 -0.018 0.000 0.970 605 D CA 0.798 54.809 54.000 0.018 0.000 0.851 605 D CB -0.060 40.797 40.800 0.094 0.000 0.943 605 D HN 0.036 nan 8.370 nan 0.000 0.488 606 Q N -0.001 119.844 119.800 0.074 0.000 2.083 606 Q HA 0.048 4.388 4.340 0.000 0.000 0.198 606 Q C 2.075 178.093 176.000 0.030 0.000 0.969 606 Q CA 0.764 56.617 55.803 0.084 0.000 0.838 606 Q CB -0.054 28.768 28.738 0.140 0.000 0.900 606 Q HN 0.317 nan 8.270 nan 0.000 0.436 607 I N 0.240 120.847 120.570 0.063 0.000 2.286 607 I HA -0.211 3.959 4.170 0.000 0.000 0.248 607 I C 2.177 178.246 176.117 -0.081 0.000 1.115 607 I CA 0.873 62.245 61.300 0.119 0.000 1.392 607 I CB -0.270 37.799 38.000 0.114 0.000 1.065 607 I HN 0.192 nan 8.210 nan 0.000 0.418 608 E N 1.470 121.570 120.200 -0.167 0.000 2.031 608 E HA -0.188 4.162 4.350 0.000 0.000 0.193 608 E C 2.313 178.624 176.600 -0.482 0.000 0.994 608 E CA 1.709 57.950 56.400 -0.266 0.000 0.800 608 E CB -0.314 29.244 29.700 -0.238 0.000 0.752 608 E HN 0.419 nan 8.360 nan 0.000 0.447 609 A N 1.105 123.464 122.820 -0.769 0.000 1.940 609 A HA -0.172 4.148 4.320 0.000 0.000 0.219 609 A C 2.429 179.287 177.584 -1.210 0.000 1.176 609 A CA 2.535 53.789 52.037 -1.304 0.000 0.631 609 A CB -0.803 17.057 19.000 -1.900 0.000 0.814 609 A HN 0.319 nan 8.150 nan 0.000 0.446 610 A N -0.217 122.252 122.820 -0.584 0.000 1.883 610 A HA -0.204 4.116 4.320 0.000 0.000 0.217 610 A C 2.264 179.646 177.584 -0.336 0.000 1.186 610 A CA 1.601 53.454 52.037 -0.307 0.000 0.624 610 A CB -0.514 18.384 19.000 -0.171 0.000 0.822 610 A HN 0.569 nan 8.150 nan 0.000 0.444 611 R N -0.704 119.593 120.500 -0.339 0.000 2.080 611 R HA -0.152 4.188 4.340 0.000 0.000 0.236 611 R C 2.401 178.540 176.300 -0.269 0.000 1.137 611 R CA 1.549 57.490 56.100 -0.266 0.000 0.943 611 R CB -0.483 29.685 30.300 -0.220 0.000 0.846 611 R HN 0.618 nan 8.270 nan 0.000 0.431 612 Q N -0.160 119.416 119.800 -0.373 0.000 2.181 612 Q HA -0.162 4.178 4.340 0.000 0.000 0.205 612 Q C 2.029 177.889 176.000 -0.233 0.000 0.980 612 Q CA 1.325 56.928 55.803 -0.333 0.000 0.862 612 Q CB -0.184 28.285 28.738 -0.448 0.000 0.905 612 Q HN 0.296 nan 8.270 nan 0.000 0.429 613 F N 1.078 120.857 119.950 -0.285 0.000 2.146 613 F HA -0.134 4.393 4.527 0.000 0.000 0.298 613 F C 2.772 178.378 175.800 -0.323 0.000 1.096 613 F CA 1.209 59.027 58.000 -0.304 0.000 1.275 613 F CB -1.214 37.645 39.000 -0.235 0.000 1.008 613 F HN 0.079 nan 8.300 nan 0.000 0.480 614 S N -0.284 115.367 115.700 -0.081 0.000 2.383 614 S HA -0.145 4.325 4.470 0.000 0.000 0.227 614 S C 1.951 176.452 174.600 -0.165 0.000 1.026 614 S CA 0.660 58.776 58.200 -0.139 0.000 0.981 614 S CB -0.481 62.641 63.200 -0.131 0.000 0.818 614 S HN 0.173 nan 8.310 nan 0.000 0.472 615 K N 1.017 121.327 120.400 -0.151 0.000 2.362 615 K HA 0.081 4.401 4.320 0.000 0.000 0.202 615 K C 1.718 178.227 176.600 -0.151 0.000 1.045 615 K CA 0.975 57.181 56.287 -0.134 0.000 0.936 615 K CB -0.449 31.978 32.500 -0.121 0.000 0.747 615 K HN 0.537 nan 8.250 nan 0.000 0.467 616 M N -1.071 118.389 119.600 -0.234 0.000 2.619 616 M HA -0.039 4.441 4.480 0.000 0.000 0.251 616 M C 1.303 177.377 176.300 -0.377 0.000 1.106 616 M CA 0.859 55.968 55.300 -0.318 0.000 1.086 616 M CB 0.138 32.442 32.600 -0.493 0.000 1.465 616 M HN 0.396 nan 8.290 nan 0.000 0.506 617 G N 1.057 109.677 108.800 -0.300 0.000 2.363 617 G HA2 -0.334 3.626 3.960 0.000 0.000 0.238 617 G HA3 -0.334 3.626 3.960 0.000 0.000 0.238 617 G C 0.526 175.392 174.900 -0.057 0.000 1.062 617 G CA 0.480 45.497 45.100 -0.139 0.000 0.629 617 G HN 0.600 nan 8.290 nan 0.000 0.514 618 F N 1.147 121.160 119.950 0.106 0.000 2.693 618 F HA 0.749 5.276 4.527 0.000 0.000 0.303 618 F C 0.295 176.230 175.800 0.225 0.000 1.143 618 F CA -1.128 56.984 58.000 0.186 0.000 1.389 618 F CB -0.086 39.097 39.000 0.305 0.000 1.060 618 F HN 0.116 nan 8.300 nan 0.000 0.535 619 V N 1.269 121.209 119.914 0.044 0.000 2.495 619 V HA 0.163 4.283 4.120 0.000 0.000 0.298 619 V C -0.494 175.600 176.094 -0.001 0.000 1.031 619 V CA -0.955 61.379 62.300 0.056 0.000 0.871 619 V CB 1.623 33.395 31.823 -0.086 0.000 0.988 619 V HN 0.058 nan 8.190 nan 0.000 0.432 620 D N 4.172 124.566 120.400 -0.010 0.000 2.357 620 D HA -0.008 4.632 4.640 0.000 0.000 0.265 620 D C 1.344 177.590 176.300 -0.091 0.000 1.334 620 D CA 0.643 54.600 54.000 -0.073 0.000 0.984 620 D CB 0.001 40.725 40.800 -0.125 0.000 1.077 620 D HN 0.628 nan 8.370 nan 0.000 0.514 621 N N 2.737 121.389 118.700 -0.081 0.000 2.122 621 N HA -0.298 4.442 4.740 0.000 0.000 0.199 621 N C 0.651 176.109 175.510 -0.086 0.000 1.007 621 N CA 1.540 54.536 53.050 -0.088 0.000 0.892 621 N CB 0.161 38.602 38.487 -0.077 0.000 1.050 621 N HN 0.337 nan 8.380 nan 0.000 0.468 622 K N 0.149 120.506 120.400 -0.072 0.000 2.493 622 K HA 0.237 4.557 4.320 0.000 0.000 0.207 622 K C -0.026 176.553 176.600 -0.034 0.000 1.033 622 K CA 0.212 56.471 56.287 -0.047 0.000 1.161 622 K CB 0.441 32.922 32.500 -0.031 0.000 0.873 622 K HN 0.009 nan 8.250 nan 0.000 0.491 623 R N 1.445 121.893 120.500 -0.088 0.000 2.655 623 R HA 0.364 4.704 4.340 0.000 0.000 0.261 623 R C -1.050 175.157 176.300 -0.156 0.000 1.624 623 R CA -0.196 55.810 56.100 -0.157 0.000 1.655 623 R CB 0.544 30.587 30.300 -0.429 0.000 1.356 623 R HN 0.201 nan 8.270 nan 0.000 0.684 624 I N 1.024 121.653 120.570 0.099 0.000 2.362 624 I HA 0.563 4.733 4.170 0.000 0.000 0.289 624 I C 0.186 176.605 176.117 0.503 0.000 0.994 624 I CA -0.800 60.622 61.300 0.204 0.000 1.158 624 I CB 1.809 39.773 38.000 -0.060 0.000 1.315 624 I HN 0.251 nan 8.210 nan 0.000 0.451 625 A N 7.163 130.386 122.820 0.671 0.000 2.344 625 A HA 0.940 5.260 4.320 0.000 0.000 0.307 625 A C -0.932 177.017 177.584 0.610 0.000 1.151 625 A CA -0.688 51.713 52.037 0.606 0.000 0.842 625 A CB 2.230 21.453 19.000 0.371 0.000 1.350 625 A HN 0.760 nan 8.150 nan 0.000 0.459 626 I N 0.011 120.849 120.570 0.447 0.000 2.775 626 I HA 0.662 4.832 4.170 0.000 0.000 0.295 626 I C -2.140 174.237 176.117 0.433 0.000 1.287 626 I CA -0.526 60.973 61.300 0.332 0.000 1.029 626 I CB 1.749 39.681 38.000 -0.113 0.000 1.282 626 I HN 0.952 nan 8.210 nan 0.000 0.426 627 W N 7.015 128.446 121.300 0.218 0.000 3.363 627 W HA 0.801 5.461 4.660 0.000 0.000 0.306 627 W C -1.485 175.193 176.519 0.265 0.000 1.253 627 W CA -0.837 56.648 57.345 0.234 0.000 1.195 627 W CB 0.897 30.538 29.460 0.301 0.000 1.366 627 W HN 0.834 nan 8.180 nan 0.000 0.551 628 G N 1.177 109.924 108.800 -0.088 0.000 2.608 628 G HA2 0.554 4.514 3.960 0.000 0.000 0.291 628 G HA3 0.554 4.514 3.960 0.000 0.000 0.291 628 G C -2.775 172.130 174.900 0.008 0.000 1.425 628 G CA -0.719 44.197 45.100 -0.307 0.000 0.787 628 G HN 0.610 nan 8.290 nan 0.000 0.484 629 W N 0.663 121.900 121.300 -0.105 0.000 2.819 629 W HA 0.573 5.233 4.660 0.000 0.000 0.337 629 W C 0.664 177.276 176.519 0.155 0.000 1.077 629 W CA 0.345 57.703 57.345 0.023 0.000 1.226 629 W CB 1.682 31.141 29.460 -0.002 0.000 1.419 629 W HN 1.062 nan 8.180 nan 0.000 0.502 630 S N 1.846 117.821 115.700 0.459 0.000 4.116 630 S HA -0.425 4.045 4.470 0.000 0.000 0.623 630 S C 0.842 175.575 174.600 0.222 0.000 1.933 630 S CA 1.559 60.016 58.200 0.429 0.000 4.224 630 S CB -1.559 62.024 63.200 0.640 0.000 0.208 630 S HN 0.752 nan 8.310 nan 0.000 0.527 631 Y N 2.903 123.251 120.300 0.080 0.000 2.151 631 Y HA -0.129 4.421 4.550 0.000 0.000 0.284 631 Y C 2.487 178.386 175.900 -0.001 0.000 1.166 631 Y CA 2.567 60.635 58.100 -0.052 0.000 1.163 631 Y CB -1.102 37.116 38.460 -0.403 0.000 0.974 631 Y HN 0.576 nan 8.280 nan 0.000 0.511 632 G N -1.107 107.830 108.800 0.227 0.000 2.442 632 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 632 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 632 G C 1.923 176.903 174.900 0.133 0.000 1.141 632 G CA 0.857 46.075 45.100 0.197 0.000 0.763 632 G HN 0.610 nan 8.290 nan 0.000 0.554 633 G N -0.266 108.619 108.800 0.142 0.000 2.408 633 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 633 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 633 G C 1.599 176.552 174.900 0.088 0.000 1.150 633 G CA 1.077 46.236 45.100 0.097 0.000 0.776 633 G HN 0.427 nan 8.290 nan 0.000 0.542 634 Y N 1.482 121.726 120.300 -0.093 0.000 2.097 634 Y HA -0.158 4.392 4.550 0.000 0.000 0.282 634 Y C 2.771 178.610 175.900 -0.103 0.000 1.152 634 Y CA 1.700 59.691 58.100 -0.181 0.000 1.136 634 Y CB -0.577 37.627 38.460 -0.426 0.000 0.975 634 Y HN 0.034 nan 8.280 nan 0.000 0.498 635 V N -0.126 119.689 119.914 -0.165 0.000 2.233 635 V HA -0.375 3.745 4.120 0.000 0.000 0.247 635 V C 2.351 178.338 176.094 -0.178 0.000 1.050 635 V CA 2.599 64.783 62.300 -0.195 0.000 1.010 635 V CB -1.410 30.445 31.823 0.053 0.000 0.637 635 V HN 0.504 nan 8.190 nan 0.000 0.444 636 T N 0.162 114.674 114.554 -0.071 0.000 2.653 636 T HA -0.284 4.066 4.350 0.000 0.000 0.267 636 T C 2.093 176.730 174.700 -0.105 0.000 1.037 636 T CA 2.304 64.365 62.100 -0.065 0.000 1.159 636 T CB -0.390 68.520 68.868 0.070 0.000 0.859 636 T HN 0.535 nan 8.240 nan 0.000 0.449 637 S N 0.738 116.407 115.700 -0.050 0.000 2.356 637 S HA -0.016 4.454 4.470 0.000 0.000 0.223 637 S C 2.149 176.658 174.600 -0.151 0.000 1.032 637 S CA 1.007 59.189 58.200 -0.030 0.000 1.005 637 S CB -0.294 62.949 63.200 0.072 0.000 0.867 637 S HN 0.337 nan 8.310 nan 0.000 0.449 638 M N 1.012 120.442 119.600 -0.284 0.000 2.159 638 M HA -0.048 4.432 4.480 0.000 0.000 0.263 638 M C 2.192 178.326 176.300 -0.277 0.000 1.063 638 M CA 1.039 56.153 55.300 -0.310 0.000 1.110 638 M CB -1.413 30.904 32.600 -0.471 0.000 1.374 638 M HN 0.179 nan 8.290 nan 0.000 0.411 639 V N 0.788 120.530 119.914 -0.286 0.000 2.237 639 V HA -0.259 3.861 4.120 0.000 0.000 0.245 639 V C 2.522 178.403 176.094 -0.354 0.000 1.046 639 V CA 1.559 63.682 62.300 -0.294 0.000 1.007 639 V CB -0.731 30.850 31.823 -0.404 0.000 0.638 639 V HN 0.395 nan 8.190 nan 0.000 0.445 640 L N 0.574 121.525 121.223 -0.454 0.000 2.187 640 L HA -0.115 4.225 4.340 0.000 0.000 0.213 640 L C 2.391 178.708 176.870 -0.921 0.000 1.100 640 L CA 1.604 56.092 54.840 -0.586 0.000 0.765 640 L CB -0.890 40.802 42.059 -0.612 0.000 0.904 640 L HN 0.493 nan 8.230 nan 0.000 0.437 641 G N -1.182 107.068 108.800 -0.917 0.000 2.712 641 G HA2 -0.146 3.814 3.960 0.000 0.000 0.212 641 G HA3 -0.146 3.814 3.960 0.000 0.000 0.212 641 G C 1.662 176.354 174.900 -0.346 0.000 1.142 641 G CA 0.657 45.290 45.100 -0.778 0.000 0.789 641 G HN 0.465 nan 8.290 nan 0.000 0.535 642 S N -0.002 115.535 115.700 -0.272 0.000 2.561 642 S HA 0.261 4.732 4.470 0.000 0.000 0.225 642 S C 1.935 176.472 174.600 -0.105 0.000 0.977 642 S CA 0.964 59.077 58.200 -0.145 0.000 0.926 642 S CB -0.407 62.732 63.200 -0.103 0.000 0.769 642 S HN 1.353 nan 8.310 nan 0.000 0.533 643 G N 1.637 110.358 108.800 -0.131 0.000 2.341 643 G HA2 -0.330 3.630 3.960 0.000 0.000 0.292 643 G HA3 -0.330 3.630 3.960 0.000 0.000 0.292 643 G C 0.775 175.655 174.900 -0.033 0.000 1.021 643 G CA 0.789 45.843 45.100 -0.076 0.000 0.905 643 G HN 1.338 nan 8.290 nan 0.000 0.508 644 S N -1.150 114.544 115.700 -0.010 0.000 2.561 644 S HA 0.343 4.813 4.470 0.000 0.000 0.225 644 S C 2.396 177.000 174.600 0.007 0.000 0.977 644 S CA 1.220 59.426 58.200 0.010 0.000 0.926 644 S CB -0.016 63.214 63.200 0.049 0.000 0.769 644 S HN 2.305 nan 8.310 nan 0.000 0.533 645 G N 0.585 109.395 108.800 0.017 0.000 2.196 645 G HA2 -0.334 3.626 3.960 0.000 0.000 0.268 645 G HA3 -0.334 3.626 3.960 0.000 0.000 0.268 645 G C 0.824 175.711 174.900 -0.021 0.000 0.975 645 G CA 0.550 45.653 45.100 0.005 0.000 0.648 645 G HN 0.710 nan 8.290 nan 0.000 0.538 646 V N -0.787 119.095 119.914 -0.053 0.000 2.667 646 V HA 0.214 4.334 4.120 0.000 0.000 0.252 646 V C 1.092 176.934 176.094 -0.420 0.000 1.065 646 V CA 1.537 63.665 62.300 -0.287 0.000 1.083 646 V CB -0.387 31.142 31.823 -0.489 0.000 0.692 646 V HN 0.323 nan 8.190 nan 0.000 0.468 647 F N -0.573 119.391 119.950 0.023 0.000 2.482 647 F HA 0.428 4.955 4.527 0.000 0.000 0.331 647 F C 0.961 176.811 175.800 0.084 0.000 1.115 647 F CA -0.733 57.309 58.000 0.070 0.000 0.955 647 F CB 1.779 40.819 39.000 0.067 0.000 1.136 647 F HN -0.310 nan 8.300 nan 0.000 0.452 648 K N 1.560 122.140 120.400 0.301 0.000 2.076 648 K HA 0.106 4.426 4.320 0.000 0.000 0.204 648 K C -0.184 176.568 176.600 0.255 0.000 1.051 648 K CA 1.027 57.454 56.287 0.235 0.000 0.949 648 K CB 0.260 32.903 32.500 0.237 0.000 0.726 648 K HN 0.789 nan 8.250 nan 0.000 0.443 649 c N -3.056 115.737 118.600 0.322 0.000 3.306 649 c HA 0.867 5.437 4.570 0.000 0.000 0.335 649 c C -0.234 174.085 174.090 0.381 0.000 1.382 649 c CA -0.787 55.749 56.329 0.346 0.000 1.254 649 c CB 1.035 43.736 42.510 0.318 0.000 1.555 649 c HN 0.338 nan 8.230 nan 0.000 0.463 650 G N -0.183 108.882 108.800 0.442 0.000 2.704 650 G HA2 0.768 4.728 3.960 0.000 0.000 0.293 650 G HA3 0.768 4.728 3.960 0.000 0.000 0.293 650 G C -1.972 173.141 174.900 0.356 0.000 1.421 650 G CA -0.729 44.606 45.100 0.392 0.000 0.870 650 G HN 0.970 nan 8.290 nan 0.000 0.492 651 I N 0.930 121.686 120.570 0.311 0.000 2.439 651 I HA 0.568 4.738 4.170 0.000 0.000 0.285 651 I C 0.146 176.402 176.117 0.232 0.000 1.021 651 I CA -0.858 60.521 61.300 0.130 0.000 1.091 651 I CB 2.190 40.236 38.000 0.077 0.000 1.242 651 I HN 0.615 nan 8.210 nan 0.000 0.439 652 A N 6.640 129.510 122.820 0.083 0.000 2.287 652 A HA 0.765 5.085 4.320 0.000 0.000 0.317 652 A C -0.673 176.853 177.584 -0.097 0.000 1.220 652 A CA -0.495 51.592 52.037 0.084 0.000 0.835 652 A CB 0.993 20.109 19.000 0.194 0.000 1.180 652 A HN 0.442 nan 8.150 nan 0.000 0.500 653 V N 2.370 122.176 119.914 -0.179 0.000 2.347 653 V HA 0.551 4.671 4.120 0.000 0.000 0.280 653 V C 0.884 176.586 176.094 -0.655 0.000 1.021 653 V CA 0.414 62.373 62.300 -0.568 0.000 0.847 653 V CB 0.606 31.804 31.823 -1.041 0.000 0.990 653 V HN 2.075 nan 8.190 nan 0.000 0.444 654 A N 5.904 128.343 122.820 -0.636 0.000 2.610 654 A HA -0.094 4.226 4.320 0.000 0.000 0.299 654 A C -1.843 175.637 177.584 -0.172 0.000 1.487 654 A CA 0.252 51.865 52.037 -0.705 0.000 0.743 654 A CB -1.559 17.059 19.000 -0.635 0.000 1.070 654 A HN 0.605 nan 8.150 nan 0.000 0.439 655 P HA 0.402 nan 4.420 nan 0.000 0.278 655 P C 0.305 177.595 177.300 -0.016 0.000 1.238 655 P CA -0.101 63.004 63.100 0.007 0.000 0.794 655 P CB 1.225 32.951 31.700 0.043 0.000 0.955 656 V N 2.597 122.407 119.914 -0.174 0.000 2.715 656 V HA 0.044 4.164 4.120 0.000 0.000 0.299 656 V C 1.756 177.672 176.094 -0.296 0.000 1.054 656 V CA 1.157 63.206 62.300 -0.419 0.000 1.077 656 V CB 0.647 31.831 31.823 -1.066 0.000 0.972 656 V HN 0.846 nan 8.190 nan 0.000 0.484 657 S N 3.449 119.002 115.700 -0.244 0.000 2.619 657 S HA 0.256 4.726 4.470 0.000 0.000 0.238 657 S C 0.416 174.896 174.600 -0.200 0.000 1.068 657 S CA -0.354 57.788 58.200 -0.098 0.000 0.926 657 S CB 0.378 63.585 63.200 0.012 0.000 0.864 657 S HN 0.858 nan 8.310 nan 0.000 0.493 658 R N -1.102 119.175 120.500 -0.371 0.000 2.522 658 R HA 0.461 4.801 4.340 0.000 0.000 0.273 658 R C -0.896 175.115 176.300 -0.482 0.000 1.133 658 R CA -0.850 54.967 56.100 -0.472 0.000 0.969 658 R CB -0.343 29.709 30.300 -0.413 0.000 1.235 658 R HN 0.118 nan 8.270 nan 0.000 0.433 659 W N 1.563 122.793 121.300 -0.117 0.000 2.341 659 W HA -0.109 4.551 4.660 0.000 0.000 0.283 659 W C 1.166 177.800 176.519 0.191 0.000 1.215 659 W CA 1.250 58.614 57.345 0.031 0.000 1.211 659 W CB 0.111 29.556 29.460 -0.026 0.000 1.131 659 W HN 0.742 nan 8.180 nan 0.000 0.552 660 E N -1.084 119.274 120.200 0.263 0.000 2.265 660 E HA -0.216 4.134 4.350 0.000 0.000 0.196 660 E C 1.449 178.143 176.600 0.157 0.000 0.996 660 E CA 1.026 57.500 56.400 0.123 0.000 0.832 660 E CB -0.296 29.363 29.700 -0.068 0.000 0.756 660 E HN 0.390 nan 8.360 nan 0.000 0.491 661 Y N -1.414 118.978 120.300 0.153 0.000 2.475 661 Y HA 0.019 4.569 4.550 0.000 0.000 0.289 661 Y C 0.850 176.849 175.900 0.166 0.000 1.121 661 Y CA -0.173 57.991 58.100 0.107 0.000 1.257 661 Y CB -0.521 37.950 38.460 0.018 0.000 1.026 661 Y HN 0.026 nan 8.280 nan 0.000 0.555 662 Y N 2.159 122.610 120.300 0.253 0.000 2.295 662 Y HA 0.243 4.793 4.550 0.000 0.000 0.331 662 Y C 0.477 176.581 175.900 0.340 0.000 1.311 662 Y CA -1.900 56.356 58.100 0.260 0.000 1.430 662 Y CB 0.277 38.923 38.460 0.311 0.000 1.339 662 Y HN 0.221 nan 8.280 nan 0.000 0.552 663 D N -0.309 119.779 120.400 -0.520 0.000 2.368 663 D HA 0.080 4.720 4.640 0.000 0.000 0.240 663 D C 0.939 177.215 176.300 -0.039 0.000 1.169 663 D CA 0.403 54.176 54.000 -0.377 0.000 0.906 663 D CB 0.915 41.281 40.800 -0.722 0.000 1.187 663 D HN 0.479 nan 8.370 nan 0.000 0.435 664 S N 1.101 116.781 115.700 -0.034 0.000 2.345 664 S HA -0.185 4.285 4.470 0.000 0.000 0.219 664 S C 1.972 176.595 174.600 0.038 0.000 1.031 664 S CA 1.007 59.243 58.200 0.060 0.000 0.984 664 S CB -0.963 62.276 63.200 0.064 0.000 0.874 664 S HN 0.413 nan 8.310 nan 0.000 0.451 665 V N 0.990 120.868 119.914 -0.060 0.000 2.278 665 V HA -0.217 3.903 4.120 0.000 0.000 0.251 665 V C 2.293 178.295 176.094 -0.155 0.000 1.062 665 V CA 2.459 64.624 62.300 -0.225 0.000 1.038 665 V CB -1.024 30.521 31.823 -0.463 0.000 0.646 665 V HN 0.654 nan 8.190 nan 0.000 0.447 666 Y N 0.893 121.132 120.300 -0.102 0.000 2.130 666 Y HA -0.207 4.343 4.550 0.000 0.000 0.287 666 Y C 2.762 178.671 175.900 0.015 0.000 1.124 666 Y CA 2.329 60.442 58.100 0.021 0.000 1.118 666 Y CB -0.544 38.114 38.460 0.330 0.000 0.994 666 Y HN 0.188 nan 8.280 nan 0.000 0.497 667 T N 0.397 115.157 114.554 0.344 0.000 2.684 667 T HA -0.201 4.149 4.350 0.000 0.000 0.267 667 T C 1.552 176.222 174.700 -0.049 0.000 1.036 667 T CA 1.993 64.221 62.100 0.213 0.000 1.148 667 T CB -0.280 68.862 68.868 0.457 0.000 0.863 667 T HN 0.436 nan 8.240 nan 0.000 0.436 668 E N 0.429 120.622 120.200 -0.011 0.000 2.208 668 E HA -0.062 4.288 4.350 0.000 0.000 0.193 668 E C 2.304 178.771 176.600 -0.221 0.000 0.988 668 E CA 0.386 56.767 56.400 -0.031 0.000 0.828 668 E CB -0.101 29.626 29.700 0.045 0.000 0.763 668 E HN 0.337 nan 8.360 nan 0.000 0.478 669 R N 0.196 120.418 120.500 -0.464 0.000 2.133 669 R HA -0.225 4.115 4.340 0.000 0.000 0.247 669 R C 1.217 176.974 176.300 -0.905 0.000 1.151 669 R CA 1.720 57.346 56.100 -0.789 0.000 0.971 669 R CB -0.080 29.457 30.300 -1.272 0.000 0.866 669 R HN 0.240 nan 8.270 nan 0.000 0.447 670 Y N -2.103 117.883 120.300 -0.523 0.000 2.522 670 Y HA 0.230 4.780 4.550 0.000 0.000 0.277 670 Y C 1.802 177.503 175.900 -0.330 0.000 1.104 670 Y CA 0.090 57.886 58.100 -0.507 0.000 1.260 670 Y CB 0.380 38.427 38.460 -0.689 0.000 1.151 670 Y HN -0.031 nan 8.280 nan 0.000 0.539 671 M N -0.496 118.983 119.600 -0.201 0.000 2.308 671 M HA 0.359 4.839 4.480 0.000 0.000 0.269 671 M C 1.077 177.353 176.300 -0.039 0.000 1.040 671 M CA 0.788 55.949 55.300 -0.232 0.000 1.024 671 M CB -0.234 32.044 32.600 -0.538 0.000 1.465 671 M HN 0.343 nan 8.290 nan 0.000 0.517 672 G N 1.913 110.719 108.800 0.011 0.000 2.601 672 G HA2 -0.209 3.751 3.960 0.000 0.000 0.252 672 G HA3 -0.209 3.751 3.960 0.000 0.000 0.252 672 G C -0.530 174.489 174.900 0.198 0.000 1.294 672 G CA -0.807 44.340 45.100 0.077 0.000 0.912 672 G HN 0.224 nan 8.290 nan 0.000 0.574 673 L N 1.955 123.261 121.223 0.139 0.000 2.375 673 L HA 0.461 4.801 4.340 0.000 0.000 0.271 673 L C -1.399 175.478 176.870 0.011 0.000 1.107 673 L CA -2.035 52.847 54.840 0.070 0.000 0.806 673 L CB 0.693 42.759 42.059 0.012 0.000 1.146 673 L HN 0.462 nan 8.230 nan 0.000 0.447 674 P HA 0.099 nan 4.420 nan 0.000 0.220 674 P C -0.371 176.805 177.300 -0.207 0.000 1.806 674 P CA -0.093 62.656 63.100 -0.586 0.000 0.976 674 P CB -0.324 30.695 31.700 -1.133 0.000 1.952 675 T N -2.400 112.114 114.554 -0.066 0.000 2.930 675 T HA 0.510 4.860 4.350 0.000 0.000 0.290 675 T C -2.288 172.420 174.700 0.013 0.000 1.052 675 T CA -2.434 59.649 62.100 -0.028 0.000 1.017 675 T CB 1.884 70.741 68.868 -0.019 0.000 1.137 675 T HN -0.278 nan 8.240 nan 0.000 0.511 676 P HA -0.006 nan 4.420 nan 0.000 0.217 676 P C 0.897 178.215 177.300 0.031 0.000 1.150 676 P CA 0.962 64.079 63.100 0.028 0.000 0.832 676 P CB 0.015 31.726 31.700 0.018 0.000 0.787 677 E N -1.076 119.136 120.200 0.021 0.000 2.418 677 E HA -0.090 4.261 4.350 0.000 0.000 0.197 677 E C 1.280 177.895 176.600 0.025 0.000 1.026 677 E CA 0.778 57.190 56.400 0.019 0.000 0.862 677 E CB -0.400 29.306 29.700 0.010 0.000 0.799 677 E HN 0.337 nan 8.360 nan 0.000 0.518 678 D N -0.534 119.887 120.400 0.035 0.000 3.435 678 D HA 0.120 4.760 4.640 0.000 0.000 0.209 678 D C 0.120 176.465 176.300 0.075 0.000 1.157 678 D CA -0.203 53.824 54.000 0.045 0.000 1.322 678 D CB -0.025 40.802 40.800 0.045 0.000 0.924 678 D HN -0.015 nan 8.370 nan 0.000 0.180 679 N N 0.092 118.867 118.700 0.125 0.000 2.235 679 N HA 0.036 4.776 4.740 0.000 0.000 0.231 679 N C 1.412 177.121 175.510 0.332 0.000 1.177 679 N CA -0.136 53.023 53.050 0.182 0.000 0.874 679 N CB 0.657 39.221 38.487 0.128 0.000 1.097 679 N HN 0.030 nan 8.380 nan 0.000 0.518 680 L N 1.136 122.503 121.223 0.239 0.000 2.129 680 L HA -0.194 4.146 4.340 0.000 0.000 0.212 680 L C 1.425 178.440 176.870 0.240 0.000 1.087 680 L CA 1.916 56.886 54.840 0.215 0.000 0.757 680 L CB -0.493 41.606 42.059 0.066 0.000 0.896 680 L HN 0.201 nan 8.230 nan 0.000 0.434 681 D N -1.162 119.358 120.400 0.199 0.000 2.104 681 D HA -0.226 4.414 4.640 0.000 0.000 0.194 681 D C 1.997 178.379 176.300 0.137 0.000 0.994 681 D CA 1.756 55.840 54.000 0.141 0.000 0.830 681 D CB -0.300 40.567 40.800 0.111 0.000 0.959 681 D HN 0.608 nan 8.370 nan 0.000 0.452 682 H N -0.992 118.130 119.070 0.086 0.000 2.495 682 H HA -0.074 4.482 4.556 0.000 0.000 0.287 682 H C 1.871 177.226 175.328 0.045 0.000 1.033 682 H CA 0.568 56.635 56.048 0.031 0.000 1.307 682 H CB 0.115 29.854 29.762 -0.039 0.000 1.401 682 H HN 0.276 nan 8.280 nan 0.000 0.555 683 Y N 0.970 121.371 120.300 0.169 0.000 2.133 683 Y HA -0.162 4.388 4.550 0.000 0.000 0.287 683 Y C 2.683 178.642 175.900 0.097 0.000 1.134 683 Y CA 1.032 59.218 58.100 0.145 0.000 1.133 683 Y CB 0.067 38.589 38.460 0.103 0.000 0.987 683 Y HN -0.005 nan 8.280 nan 0.000 0.502 684 R N -0.165 120.469 120.500 0.224 0.000 2.075 684 R HA -0.148 4.192 4.340 0.000 0.000 0.232 684 R C 1.791 178.132 176.300 0.069 0.000 1.126 684 R CA 1.257 57.424 56.100 0.111 0.000 0.963 684 R CB -1.045 29.301 30.300 0.078 0.000 0.858 684 R HN 0.302 nan 8.270 nan 0.000 0.435 685 N N 0.993 119.722 118.700 0.048 0.000 2.443 685 N HA -0.103 4.637 4.740 0.000 0.000 0.184 685 N C 0.747 176.274 175.510 0.028 0.000 1.037 685 N CA 1.197 54.246 53.050 -0.002 0.000 0.896 685 N CB 0.050 38.482 38.487 -0.092 0.000 0.959 685 N HN 0.190 nan 8.380 nan 0.000 0.442 686 S N -1.648 114.106 115.700 0.090 0.000 2.601 686 S HA 0.137 4.607 4.470 0.000 0.000 0.244 686 S C 0.358 175.071 174.600 0.188 0.000 1.001 686 S CA -0.528 57.765 58.200 0.155 0.000 0.984 686 S CB -0.636 62.712 63.200 0.248 0.000 0.842 686 S HN 0.228 nan 8.310 nan 0.000 0.474 687 T N -1.504 113.110 114.554 0.099 0.000 2.899 687 T HA 0.514 4.864 4.350 0.000 0.000 0.284 687 T C 1.299 176.035 174.700 0.061 0.000 1.004 687 T CA -0.538 61.598 62.100 0.061 0.000 1.043 687 T CB 1.264 70.133 68.868 0.003 0.000 1.013 687 T HN -0.030 nan 8.240 nan 0.000 0.518 688 V N 1.886 121.831 119.914 0.053 0.000 2.407 688 V HA -0.117 4.003 4.120 0.000 0.000 0.245 688 V C 2.694 178.795 176.094 0.012 0.000 1.041 688 V CA 1.527 63.845 62.300 0.030 0.000 1.040 688 V CB -0.784 31.052 31.823 0.022 0.000 0.671 688 V HN 0.872 nan 8.190 nan 0.000 0.455 689 M N 1.033 120.624 119.600 -0.016 0.000 2.358 689 M HA -0.090 4.390 4.480 0.000 0.000 0.264 689 M C 2.246 178.542 176.300 -0.007 0.000 1.064 689 M CA 1.960 57.239 55.300 -0.036 0.000 1.093 689 M CB -2.026 30.555 32.600 -0.031 0.000 1.401 689 M HN 0.532 nan 8.290 nan 0.000 0.440 690 S N 1.010 116.717 115.700 0.011 0.000 2.447 690 S HA -0.059 4.411 4.470 0.000 0.000 0.233 690 S C 1.753 176.371 174.600 0.030 0.000 1.006 690 S CA 0.675 58.885 58.200 0.017 0.000 0.957 690 S CB -0.496 62.712 63.200 0.014 0.000 0.773 690 S HN 0.584 nan 8.310 nan 0.000 0.507 691 R N 0.821 121.356 120.500 0.059 0.000 2.388 691 R HA 0.487 4.827 4.340 0.000 0.000 0.247 691 R C 2.098 178.524 176.300 0.211 0.000 0.931 691 R CA 0.441 56.599 56.100 0.097 0.000 1.082 691 R CB -0.334 30.012 30.300 0.076 0.000 1.135 691 R HN 0.438 nan 8.270 nan 0.000 0.525 692 A N 1.476 124.373 122.820 0.128 0.000 1.903 692 A HA -0.319 4.001 4.320 0.000 0.000 0.219 692 A C 2.038 179.734 177.584 0.186 0.000 1.191 692 A CA 2.058 54.145 52.037 0.082 0.000 0.638 692 A CB -0.341 18.629 19.000 -0.049 0.000 0.823 692 A HN 0.313 nan 8.150 nan 0.000 0.451 693 E N 0.479 120.746 120.200 0.113 0.000 2.097 693 E HA -0.208 4.142 4.350 0.000 0.000 0.196 693 E C 1.580 178.242 176.600 0.103 0.000 1.000 693 E CA 1.986 58.440 56.400 0.091 0.000 0.804 693 E CB -0.560 29.171 29.700 0.053 0.000 0.740 693 E HN 0.800 nan 8.360 nan 0.000 0.454 694 N N -1.259 117.492 118.700 0.086 0.000 2.550 694 N HA -0.050 4.690 4.740 0.000 0.000 0.186 694 N C 0.767 176.251 175.510 -0.043 0.000 1.110 694 N CA 0.100 53.146 53.050 -0.006 0.000 0.912 694 N CB -0.096 38.332 38.487 -0.099 0.000 0.968 694 N HN 0.154 nan 8.380 nan 0.000 0.448 695 F N 1.394 121.310 119.950 -0.057 0.000 2.558 695 F HA 0.053 4.580 4.527 0.000 0.000 0.298 695 F C 1.882 177.690 175.800 0.014 0.000 1.119 695 F CA 0.542 58.504 58.000 -0.064 0.000 1.451 695 F CB 0.104 39.028 39.000 -0.127 0.000 1.091 695 F HN -0.081 nan 8.300 nan 0.000 0.563 696 K N 0.146 120.650 120.400 0.174 0.000 2.362 696 K HA -0.229 4.091 4.320 0.000 0.000 0.202 696 K C 1.144 177.807 176.600 0.106 0.000 1.045 696 K CA 1.230 57.598 56.287 0.135 0.000 0.936 696 K CB -0.283 32.275 32.500 0.097 0.000 0.747 696 K HN 0.440 nan 8.250 nan 0.000 0.467 697 Q N 0.154 119.998 119.800 0.073 0.000 2.247 697 Q HA 0.069 4.409 4.340 0.000 0.000 0.204 697 Q C -0.076 175.968 176.000 0.073 0.000 0.872 697 Q CA -0.262 55.575 55.803 0.057 0.000 0.951 697 Q CB 1.035 29.786 28.738 0.021 0.000 1.099 697 Q HN 0.121 nan 8.270 nan 0.000 0.501 698 V N -3.662 116.316 119.914 0.108 0.000 3.130 698 V HA 0.516 4.636 4.120 0.000 0.000 0.310 698 V C -1.277 174.963 176.094 0.243 0.000 1.158 698 V CA -1.255 61.135 62.300 0.149 0.000 1.029 698 V CB 2.441 34.316 31.823 0.086 0.000 1.057 698 V HN -0.028 nan 8.190 nan 0.000 0.436 699 E N 1.794 122.168 120.200 0.290 0.000 2.115 699 E HA 0.435 4.785 4.350 0.000 0.000 0.282 699 E C -1.822 175.129 176.600 0.585 0.000 0.987 699 E CA -0.380 56.257 56.400 0.394 0.000 0.797 699 E CB 1.506 31.389 29.700 0.304 0.000 1.086 699 E HN 0.659 nan 8.360 nan 0.000 0.397 700 Y N 3.624 124.162 120.300 0.397 0.000 2.377 700 Y HA 0.427 4.977 4.550 0.000 0.000 0.339 700 Y C -1.293 174.703 175.900 0.160 0.000 1.011 700 Y CA -1.353 56.931 58.100 0.306 0.000 1.093 700 Y CB 0.895 39.551 38.460 0.326 0.000 1.201 700 Y HN 0.412 nan 8.280 nan 0.000 0.455 701 L N 7.941 128.939 121.223 -0.374 0.000 2.343 701 L HA 0.468 4.808 4.340 0.000 0.000 0.278 701 L C -1.731 174.738 176.870 -0.667 0.000 0.996 701 L CA -0.722 53.751 54.840 -0.612 0.000 0.831 701 L CB 1.236 42.662 42.059 -1.055 0.000 1.232 701 L HN 0.623 nan 8.230 nan 0.000 0.413 702 L N 6.386 127.295 121.223 -0.524 0.000 2.313 702 L HA 0.610 4.950 4.340 0.000 0.000 0.283 702 L C -0.894 175.874 176.870 -0.171 0.000 1.013 702 L CA -0.526 54.069 54.840 -0.409 0.000 0.816 702 L CB 1.743 43.611 42.059 -0.319 0.000 1.236 702 L HN 0.586 nan 8.230 nan 0.000 0.419 703 I N 3.181 123.664 120.570 -0.145 0.000 2.619 703 I HA 0.416 4.586 4.170 0.000 0.000 0.292 703 I C -1.219 174.889 176.117 -0.015 0.000 1.100 703 I CA -0.754 60.520 61.300 -0.044 0.000 1.043 703 I CB 2.358 40.305 38.000 -0.089 0.000 1.239 703 I HN 0.613 nan 8.210 nan 0.000 0.420 704 H N 2.139 121.265 119.070 0.092 0.000 3.086 704 H HA 0.484 5.040 4.556 0.000 0.000 0.353 704 H C -0.305 175.265 175.328 0.403 0.000 1.134 704 H CA -0.514 55.622 56.048 0.148 0.000 1.248 704 H CB 2.107 31.862 29.762 -0.012 0.000 1.878 704 H HN 0.791 nan 8.280 nan 0.000 0.527 705 G N 1.097 110.210 108.800 0.522 0.000 2.403 705 G HA2 0.193 4.153 3.960 0.000 0.000 0.259 705 G HA3 0.193 4.153 3.960 0.000 0.000 0.259 705 G C 1.165 176.362 174.900 0.495 0.000 1.244 705 G CA 0.169 45.554 45.100 0.475 0.000 0.849 705 G HN 0.756 nan 8.290 nan 0.000 0.532 706 T N -0.609 114.086 114.554 0.235 0.000 2.951 706 T HA 0.091 4.441 4.350 0.000 0.000 0.268 706 T C 1.701 176.361 174.700 -0.067 0.000 1.073 706 T CA 1.272 63.304 62.100 -0.114 0.000 1.134 706 T CB 0.140 68.873 68.868 -0.224 0.000 0.884 706 T HN 0.700 nan 8.240 nan 0.000 0.479 707 A N 1.122 123.982 122.820 0.067 0.000 2.833 707 A HA 0.316 4.636 4.320 0.000 0.000 0.293 707 A C 0.296 177.837 177.584 -0.071 0.000 1.338 707 A CA -0.534 51.499 52.037 -0.006 0.000 0.959 707 A CB -0.376 18.882 19.000 0.430 0.000 1.094 707 A HN 0.378 nan 8.150 nan 0.000 0.569 708 D N 1.480 121.869 120.400 -0.019 0.000 2.346 708 D HA 0.017 4.657 4.640 0.000 0.000 0.260 708 D C 0.214 176.477 176.300 -0.061 0.000 1.252 708 D CA 0.150 54.236 54.000 0.144 0.000 0.895 708 D CB 0.775 41.827 40.800 0.421 0.000 1.097 708 D HN 0.568 nan 8.370 nan 0.000 0.489 709 D N 2.040 122.459 120.400 0.031 0.000 2.350 709 D HA -0.076 4.564 4.640 0.000 0.000 0.213 709 D C 0.954 177.257 176.300 0.005 0.000 1.031 709 D CA 0.012 53.989 54.000 -0.038 0.000 0.861 709 D CB 0.291 41.013 40.800 -0.130 0.000 0.926 709 D HN 0.412 nan 8.370 nan 0.000 0.520 710 N N 0.095 118.881 118.700 0.144 0.000 2.426 710 N HA -0.015 4.725 4.740 0.000 0.000 0.205 710 N C -0.203 175.276 175.510 -0.050 0.000 1.040 710 N CA 0.134 53.291 53.050 0.179 0.000 0.990 710 N CB 0.758 39.326 38.487 0.135 0.000 1.215 710 N HN -0.191 nan 8.380 nan 0.000 0.491 711 V N 2.575 122.481 119.914 -0.013 0.000 2.304 711 V HA 0.192 4.312 4.120 0.000 0.000 0.262 711 V C -0.799 175.396 176.094 0.169 0.000 1.061 711 V CA -0.287 62.055 62.300 0.070 0.000 0.872 711 V CB -0.268 31.640 31.823 0.141 0.000 1.077 711 V HN 0.338 nan 8.190 nan 0.000 0.480 712 H N 2.864 121.940 119.070 0.010 0.000 2.929 712 H HA -0.011 4.545 4.556 0.000 0.000 0.358 712 H C 0.812 176.024 175.328 -0.193 0.000 1.111 712 H CA -0.048 55.926 56.048 -0.123 0.000 1.409 712 H CB 0.821 30.419 29.762 -0.272 0.000 1.373 712 H HN 0.582 nan 8.280 nan 0.000 0.610 713 F N 1.679 121.461 119.950 -0.281 0.000 2.120 713 F HA -0.316 4.211 4.527 0.000 0.000 0.300 713 F C 2.664 178.184 175.800 -0.466 0.000 1.095 713 F CA 1.922 59.551 58.000 -0.618 0.000 1.249 713 F CB -0.258 38.541 39.000 -0.334 0.000 0.995 713 F HN 0.687 nan 8.300 nan 0.000 0.480 714 Q N 0.099 119.783 119.800 -0.194 0.000 2.188 714 Q HA -0.379 3.961 4.340 0.000 0.000 0.217 714 Q C 2.125 177.871 176.000 -0.424 0.000 1.018 714 Q CA 2.727 58.344 55.803 -0.310 0.000 0.910 714 Q CB -0.423 28.092 28.738 -0.371 0.000 0.979 714 Q HN 0.598 nan 8.270 nan 0.000 0.413 715 Q N -0.369 119.212 119.800 -0.364 0.000 2.002 715 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 715 Q C 2.374 178.252 176.000 -0.205 0.000 0.988 715 Q CA 1.850 57.547 55.803 -0.177 0.000 0.843 715 Q CB -0.276 28.445 28.738 -0.029 0.000 0.908 715 Q HN 0.363 nan 8.270 nan 0.000 0.420 716 S N 0.909 116.388 115.700 -0.368 0.000 2.368 716 S HA -0.110 4.360 4.470 0.000 0.000 0.225 716 S C 2.096 176.460 174.600 -0.394 0.000 1.030 716 S CA 0.956 58.941 58.200 -0.359 0.000 0.999 716 S CB -0.277 62.660 63.200 -0.439 0.000 0.844 716 S HN 0.503 nan 8.310 nan 0.000 0.459 717 A N 1.226 123.719 122.820 -0.544 0.000 1.940 717 A HA -0.157 4.163 4.320 0.000 0.000 0.219 717 A C 2.136 179.626 177.584 -0.157 0.000 1.176 717 A CA 1.243 53.099 52.037 -0.303 0.000 0.631 717 A CB -0.445 18.437 19.000 -0.197 0.000 0.814 717 A HN 0.368 nan 8.150 nan 0.000 0.446 718 Q N -0.508 119.199 119.800 -0.156 0.000 2.172 718 Q HA -0.005 4.335 4.340 0.000 0.000 0.200 718 Q C 2.140 178.098 176.000 -0.069 0.000 0.964 718 Q CA 0.965 56.728 55.803 -0.066 0.000 0.855 718 Q CB -0.301 28.450 28.738 0.021 0.000 0.918 718 Q HN 0.787 nan 8.270 nan 0.000 0.444 719 I N 1.004 121.508 120.570 -0.110 0.000 2.142 719 I HA -0.310 3.861 4.170 0.000 0.000 0.240 719 I C 2.595 178.572 176.117 -0.232 0.000 1.078 719 I CA 1.556 62.754 61.300 -0.171 0.000 1.343 719 I CB -0.559 37.338 38.000 -0.173 0.000 1.046 719 I HN 0.202 nan 8.210 nan 0.000 0.405 720 S N 1.002 116.590 115.700 -0.187 0.000 2.370 720 S HA -0.312 4.158 4.470 0.000 0.000 0.226 720 S C 2.075 176.667 174.600 -0.014 0.000 1.033 720 S CA 1.764 59.898 58.200 -0.109 0.000 1.011 720 S CB -0.492 62.777 63.200 0.115 0.000 0.852 720 S HN 0.383 nan 8.310 nan 0.000 0.457 721 K N 1.498 121.888 120.400 -0.017 0.000 2.026 721 K HA -0.008 4.312 4.320 0.000 0.000 0.208 721 K C 2.364 178.954 176.600 -0.016 0.000 1.048 721 K CA 1.214 57.504 56.287 0.006 0.000 0.929 721 K CB -0.744 31.754 32.500 -0.003 0.000 0.713 721 K HN 0.474 nan 8.250 nan 0.000 0.439 722 A N 1.175 123.958 122.820 -0.062 0.000 1.908 722 A HA -0.147 4.173 4.320 0.000 0.000 0.218 722 A C 2.103 179.633 177.584 -0.089 0.000 1.181 722 A CA 1.457 53.451 52.037 -0.071 0.000 0.627 722 A CB -0.649 18.293 19.000 -0.097 0.000 0.818 722 A HN 0.332 nan 8.150 nan 0.000 0.445 723 L N -0.738 120.380 121.223 -0.174 0.000 2.093 723 L HA -0.131 4.209 4.340 0.000 0.000 0.208 723 L C 2.496 179.386 176.870 0.033 0.000 1.085 723 L CA 0.887 55.626 54.840 -0.167 0.000 0.755 723 L CB -0.593 41.184 42.059 -0.470 0.000 0.904 723 L HN 0.241 nan 8.230 nan 0.000 0.435 724 V N -0.183 119.791 119.914 0.099 0.000 2.358 724 V HA -0.267 3.853 4.120 0.000 0.000 0.246 724 V C 1.951 178.091 176.094 0.078 0.000 1.047 724 V CA 1.791 64.177 62.300 0.143 0.000 1.035 724 V CB -0.458 31.449 31.823 0.140 0.000 0.658 724 V HN 0.424 nan 8.190 nan 0.000 0.452 725 D N -0.416 120.011 120.400 0.045 0.000 2.310 725 D HA -0.068 4.572 4.640 0.000 0.000 0.212 725 D C 1.695 178.015 176.300 0.033 0.000 0.965 725 D CA 0.856 54.875 54.000 0.032 0.000 0.879 725 D CB 0.253 41.064 40.800 0.019 0.000 0.921 725 D HN 0.357 nan 8.370 nan 0.000 0.510 726 V N -0.611 119.324 119.914 0.036 0.000 3.578 726 V HA 0.220 4.340 4.120 0.000 0.000 0.290 726 V C 1.339 177.468 176.094 0.058 0.000 1.376 726 V CA 0.593 62.916 62.300 0.040 0.000 1.083 726 V CB 0.421 32.262 31.823 0.030 0.000 0.911 726 V HN 0.298 nan 8.190 nan 0.000 0.433 727 G N 1.031 109.874 108.800 0.072 0.000 2.198 727 G HA2 -0.204 3.756 3.960 0.000 0.000 0.257 727 G HA3 -0.204 3.756 3.960 0.000 0.000 0.257 727 G C 0.051 175.018 174.900 0.112 0.000 1.042 727 G CA 0.299 45.450 45.100 0.085 0.000 0.791 727 G HN 0.403 nan 8.290 nan 0.000 0.502 728 V N 0.174 120.174 119.914 0.143 0.000 2.481 728 V HA 0.503 4.623 4.120 0.000 0.000 0.286 728 V C 0.473 176.749 176.094 0.303 0.000 1.042 728 V CA -0.546 61.869 62.300 0.192 0.000 0.928 728 V CB 1.778 33.701 31.823 0.167 0.000 0.986 728 V HN 0.366 nan 8.190 nan 0.000 0.462 729 D N 3.067 123.633 120.400 0.276 0.000 2.264 729 D HA 0.693 5.333 4.640 0.000 0.000 0.249 729 D C -0.624 175.945 176.300 0.448 0.000 1.070 729 D CA 0.233 54.399 54.000 0.275 0.000 0.912 729 D CB 1.015 41.904 40.800 0.148 0.000 1.193 729 D HN 0.377 nan 8.370 nan 0.000 0.427 730 F N -0.751 119.274 119.950 0.125 0.000 2.858 730 F HA 0.352 4.879 4.527 0.000 0.000 0.319 730 F C -1.946 173.904 175.800 0.083 0.000 1.166 730 F CA -1.187 56.902 58.000 0.148 0.000 0.899 730 F CB 0.607 39.715 39.000 0.180 0.000 1.332 730 F HN 0.228 nan 8.300 nan 0.000 0.461 731 Q N 2.168 121.989 119.800 0.034 0.000 2.337 731 Q HA 0.847 5.187 4.340 0.000 0.000 0.266 731 Q C -1.260 174.731 176.000 -0.015 0.000 1.023 731 Q CA -0.771 54.950 55.803 -0.137 0.000 0.829 731 Q CB 2.417 31.138 28.738 -0.029 0.000 1.306 731 Q HN 1.171 nan 8.270 nan 0.000 0.449 732 A N 2.586 125.362 122.820 -0.073 0.000 2.269 732 A HA 0.852 5.172 4.320 0.000 0.000 0.327 732 A C -0.635 176.937 177.584 -0.019 0.000 1.112 732 A CA -0.721 51.349 52.037 0.054 0.000 0.865 732 A CB 1.291 20.389 19.000 0.163 0.000 1.227 732 A HN 0.813 nan 8.150 nan 0.000 0.498 733 M N 0.791 120.390 119.600 -0.003 0.000 2.310 733 M HA 0.447 4.927 4.480 0.000 0.000 0.242 733 M C -1.608 174.662 176.300 -0.051 0.000 1.000 733 M CA -0.293 54.897 55.300 -0.183 0.000 0.970 733 M CB 0.882 33.341 32.600 -0.235 0.000 2.191 733 M HN 0.884 nan 8.290 nan 0.000 0.470 734 W N 4.230 125.439 121.300 -0.151 0.000 2.332 734 W HA 0.785 5.445 4.660 0.000 0.000 0.351 734 W C -1.852 174.465 176.519 -0.337 0.000 1.195 734 W CA -0.638 56.688 57.345 -0.031 0.000 1.334 734 W CB 0.385 29.860 29.460 0.026 0.000 1.206 734 W HN 0.605 nan 8.180 nan 0.000 0.637 735 Y N 1.650 122.117 120.300 0.279 0.000 2.402 735 Y HA 0.266 4.816 4.550 0.000 0.000 0.325 735 Y C 0.269 176.296 175.900 0.212 0.000 1.009 735 Y CA -1.149 57.012 58.100 0.101 0.000 1.278 735 Y CB 1.400 39.882 38.460 0.037 0.000 1.105 735 Y HN 0.411 nan 8.280 nan 0.000 0.476 736 T N 4.670 119.409 114.554 0.307 0.000 2.822 736 T HA -0.036 4.314 4.350 0.000 0.000 0.288 736 T C 0.227 175.017 174.700 0.148 0.000 0.991 736 T CA 0.894 63.129 62.100 0.225 0.000 1.176 736 T CB -0.151 68.788 68.868 0.118 0.000 0.951 736 T HN 0.715 nan 8.240 nan 0.000 0.526 737 D N 0.777 121.243 120.400 0.110 0.000 3.046 737 D HA -0.125 4.515 4.640 0.000 0.000 0.210 737 D C 0.374 176.808 176.300 0.224 0.000 1.124 737 D CA 1.145 55.163 54.000 0.031 0.000 0.986 737 D CB -0.358 40.265 40.800 -0.295 0.000 1.118 737 D HN 0.556 nan 8.370 nan 0.000 0.416 738 E N 0.893 121.235 120.200 0.237 0.000 2.349 738 E HA 0.308 4.658 4.350 0.000 0.000 0.265 738 E C 0.824 177.590 176.600 0.276 0.000 1.064 738 E CA -0.133 56.416 56.400 0.249 0.000 0.886 738 E CB 1.099 30.930 29.700 0.219 0.000 1.036 738 E HN 0.368 nan 8.360 nan 0.000 0.413 739 D N -0.550 120.019 120.400 0.281 0.000 2.570 739 D HA 0.013 4.653 4.640 0.000 0.000 0.266 739 D C 1.019 177.517 176.300 0.330 0.000 1.182 739 D CA -0.232 53.955 54.000 0.313 0.000 1.088 739 D CB -0.277 40.734 40.800 0.352 0.000 1.186 739 D HN 0.416 nan 8.370 nan 0.000 0.618 740 H N -1.454 117.781 119.070 0.275 0.000 2.491 740 H HA 0.141 4.697 4.556 0.000 0.000 0.290 740 H C 1.894 177.460 175.328 0.397 0.000 1.050 740 H CA 2.042 58.275 56.048 0.309 0.000 1.309 740 H CB -0.365 29.574 29.762 0.295 0.000 1.392 740 H HN 0.484 nan 8.280 nan 0.000 0.554 741 G N 0.071 109.031 108.800 0.268 0.000 2.511 741 G HA2 -0.059 3.901 3.960 0.000 0.000 0.217 741 G HA3 -0.059 3.901 3.960 0.000 0.000 0.217 741 G C 0.765 175.820 174.900 0.258 0.000 1.133 741 G CA 0.353 45.549 45.100 0.160 0.000 0.792 741 G HN 0.538 nan 8.290 nan 0.000 0.539 742 I N 0.148 120.881 120.570 0.271 0.000 5.158 742 I HA -0.335 3.835 4.170 0.000 0.000 0.126 742 I C 1.557 177.762 176.117 0.148 0.000 1.344 742 I CA 0.254 61.654 61.300 0.167 0.000 2.637 742 I CB -1.235 36.811 38.000 0.076 0.000 2.338 742 I HN 0.291 nan 8.210 nan 0.000 0.320 743 A N 0.866 123.761 122.820 0.125 0.000 2.390 743 A HA 0.241 4.561 4.320 0.000 0.000 0.232 743 A C 1.199 178.819 177.584 0.059 0.000 1.233 743 A CA 0.591 52.670 52.037 0.070 0.000 0.907 743 A CB 0.199 19.219 19.000 0.033 0.000 0.967 743 A HN 0.631 nan 8.150 nan 0.000 0.512 744 S N -0.249 115.505 115.700 0.090 0.000 2.576 744 S HA 0.151 4.621 4.470 0.000 0.000 0.272 744 S C 1.287 175.939 174.600 0.087 0.000 1.352 744 S CA 0.413 58.663 58.200 0.085 0.000 1.021 744 S CB 1.008 64.268 63.200 0.100 0.000 0.887 744 S HN 0.564 nan 8.310 nan 0.000 0.542 745 S N 1.743 117.484 115.700 0.069 0.000 2.359 745 S HA -0.187 4.283 4.470 0.000 0.000 0.223 745 S C 2.056 176.715 174.600 0.099 0.000 1.039 745 S CA 2.324 60.569 58.200 0.074 0.000 1.042 745 S CB -1.632 61.596 63.200 0.046 0.000 0.915 745 S HN 1.076 nan 8.310 nan 0.000 0.439 746 T N -0.723 113.879 114.554 0.079 0.000 2.985 746 T HA 0.312 4.662 4.350 0.000 0.000 0.266 746 T C 1.923 176.680 174.700 0.094 0.000 1.076 746 T CA 1.075 63.221 62.100 0.077 0.000 1.135 746 T CB -0.661 68.243 68.868 0.061 0.000 0.890 746 T HN 0.461 nan 8.240 nan 0.000 0.480 747 A N 1.630 124.497 122.820 0.078 0.000 1.872 747 A HA -0.041 4.279 4.320 0.000 0.000 0.214 747 A C 2.193 179.769 177.584 -0.013 0.000 1.187 747 A CA 1.841 53.884 52.037 0.011 0.000 0.614 747 A CB -1.282 17.695 19.000 -0.039 0.000 0.826 747 A HN 0.712 nan 8.150 nan 0.000 0.442 748 H N -0.233 118.824 119.070 -0.021 0.000 2.319 748 H HA -0.193 4.363 4.556 0.000 0.000 0.297 748 H C 2.087 177.459 175.328 0.073 0.000 1.097 748 H CA 2.457 58.527 56.048 0.036 0.000 1.285 748 H CB -0.312 29.477 29.762 0.045 0.000 1.368 748 H HN 0.552 nan 8.280 nan 0.000 0.495 749 Q N -1.115 118.629 119.800 -0.093 0.000 2.084 749 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 749 Q C 2.311 178.272 176.000 -0.065 0.000 0.978 749 Q CA 1.584 57.302 55.803 -0.142 0.000 0.844 749 Q CB -0.201 28.514 28.738 -0.039 0.000 0.898 749 Q HN 0.630 nan 8.270 nan 0.000 0.426 750 H N 0.058 119.087 119.070 -0.067 0.000 2.357 750 H HA -0.091 4.465 4.556 0.000 0.000 0.301 750 H C 2.050 177.370 175.328 -0.013 0.000 1.082 750 H CA 1.472 57.514 56.048 -0.009 0.000 1.342 750 H CB 0.007 29.814 29.762 0.076 0.000 1.389 750 H HN 0.317 nan 8.280 nan 0.000 0.511 751 I N -0.019 120.548 120.570 -0.005 0.000 2.202 751 I HA -0.302 3.868 4.170 0.000 0.000 0.242 751 I C 1.886 177.823 176.117 -0.299 0.000 1.091 751 I CA 1.091 62.299 61.300 -0.153 0.000 1.368 751 I CB -0.298 37.416 38.000 -0.477 0.000 1.058 751 I HN 0.090 nan 8.210 nan 0.000 0.410 752 Y N 1.106 121.228 120.300 -0.296 0.000 2.224 752 Y HA -0.241 4.309 4.550 0.000 0.000 0.289 752 Y C 2.728 178.486 175.900 -0.236 0.000 1.146 752 Y CA 1.962 59.791 58.100 -0.452 0.000 1.182 752 Y CB -1.072 37.096 38.460 -0.487 0.000 0.983 752 Y HN 0.182 nan 8.280 nan 0.000 0.524 753 T N -1.586 112.948 114.554 -0.033 0.000 2.674 753 T HA -0.265 4.085 4.350 0.000 0.000 0.265 753 T C 1.619 176.340 174.700 0.035 0.000 1.039 753 T CA 1.977 64.070 62.100 -0.012 0.000 1.150 753 T CB -0.537 68.268 68.868 -0.105 0.000 0.864 753 T HN 0.427 nan 8.240 nan 0.000 0.427 754 H N 0.328 119.322 119.070 -0.127 0.000 2.387 754 H HA 0.101 4.657 4.556 0.000 0.000 0.299 754 H C 2.170 177.523 175.328 0.041 0.000 1.090 754 H CA 1.522 57.529 56.048 -0.069 0.000 1.332 754 H CB -0.242 29.475 29.762 -0.074 0.000 1.386 754 H HN 0.260 nan 8.280 nan 0.000 0.516 755 M N -0.962 118.617 119.600 -0.035 0.000 2.099 755 M HA -0.160 4.320 4.480 0.000 0.000 0.262 755 M C 2.498 178.949 176.300 0.251 0.000 1.067 755 M CA 1.609 56.888 55.300 -0.036 0.000 1.124 755 M CB 0.076 32.455 32.600 -0.369 0.000 1.353 755 M HN 0.179 nan 8.290 nan 0.000 0.410 756 S N -0.710 115.219 115.700 0.380 0.000 2.359 756 S HA -0.281 4.189 4.470 0.000 0.000 0.222 756 S C 1.766 176.542 174.600 0.293 0.000 1.038 756 S CA 2.021 60.532 58.200 0.520 0.000 1.051 756 S CB -0.773 62.748 63.200 0.535 0.000 0.944 756 S HN 0.586 nan 8.310 nan 0.000 0.433 757 H N 0.226 119.373 119.070 0.127 0.000 2.353 757 H HA -0.159 4.397 4.556 0.000 0.000 0.298 757 H C 1.911 177.250 175.328 0.019 0.000 1.103 757 H CA 2.006 58.084 56.048 0.050 0.000 1.293 757 H CB -0.395 29.367 29.762 0.000 0.000 1.372 757 H HN 0.402 nan 8.280 nan 0.000 0.501 758 F N 0.410 120.364 119.950 0.008 0.000 2.134 758 F HA -0.188 4.339 4.527 0.000 0.000 0.299 758 F C 2.085 177.819 175.800 -0.110 0.000 1.097 758 F CA 1.304 59.267 58.000 -0.062 0.000 1.264 758 F CB -0.251 38.682 39.000 -0.111 0.000 1.001 758 F HN 0.198 nan 8.300 nan 0.000 0.479 759 I N 0.733 121.293 120.570 -0.018 0.000 2.252 759 I HA -0.246 3.924 4.170 0.000 0.000 0.245 759 I C 2.282 178.172 176.117 -0.378 0.000 1.102 759 I CA 1.364 62.492 61.300 -0.287 0.000 1.385 759 I CB -1.039 36.885 38.000 -0.127 0.000 1.064 759 I HN 0.212 nan 8.210 nan 0.000 0.414 760 K N 0.221 120.515 120.400 -0.176 0.000 2.032 760 K HA -0.255 4.065 4.320 0.000 0.000 0.209 760 K C 2.014 178.520 176.600 -0.157 0.000 1.048 760 K CA 1.469 57.691 56.287 -0.108 0.000 0.927 760 K CB -0.325 32.125 32.500 -0.083 0.000 0.712 760 K HN 0.396 nan 8.250 nan 0.000 0.441 761 Q N 0.439 120.066 119.800 -0.289 0.000 2.124 761 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 761 Q C 2.318 178.182 176.000 -0.227 0.000 0.977 761 Q CA 1.469 57.111 55.803 -0.269 0.000 0.850 761 Q CB -0.119 28.421 28.738 -0.330 0.000 0.901 761 Q HN 0.404 nan 8.270 nan 0.000 0.429 762 c N -0.244 118.132 118.600 -0.373 0.000 2.446 762 c HA -0.025 4.545 4.570 0.000 0.000 0.279 762 c C 1.693 175.798 174.090 0.025 0.000 1.366 762 c CA 0.141 56.290 56.329 -0.300 0.000 1.763 762 c CB -1.023 41.132 42.510 -0.592 0.000 1.929 762 c HN 0.530 nan 8.230 nan 0.000 0.509 763 F N 1.601 121.486 119.950 -0.109 0.000 2.693 763 F HA 0.253 4.780 4.527 0.000 0.000 0.303 763 F C 1.664 177.430 175.800 -0.056 0.000 1.097 763 F CA 0.227 58.194 58.000 -0.057 0.000 1.330 763 F CB -1.210 37.769 39.000 -0.035 0.000 1.067 763 F HN 0.184 nan 8.300 nan 0.000 0.565 764 S N 0.902 116.660 115.700 0.098 0.000 3.581 764 S HA -0.207 4.263 4.470 0.000 0.000 0.354 764 S C 0.193 174.811 174.600 0.030 0.000 1.059 764 S CA 0.175 58.395 58.200 0.033 0.000 1.060 764 S CB -1.881 61.332 63.200 0.023 0.000 0.908 764 S HN 0.212 nan 8.310 nan 0.000 0.475 765 L N 1.488 122.738 121.223 0.044 0.000 2.289 765 L HA 0.483 4.823 4.340 0.000 0.000 0.285 765 L C -1.571 175.302 176.870 0.005 0.000 1.049 765 L CA -1.669 53.192 54.840 0.036 0.000 0.804 765 L CB 0.817 42.920 42.059 0.072 0.000 1.195 765 L HN 0.055 nan 8.230 nan 0.000 0.428 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.103 63.100 0.005 0.000 0.800 766 P CB 0.000 31.704 31.700 0.007 0.000 0.726