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 1nu6_1_A 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 0.000 174.644 174.600 0.073 0.000 1.055 39 S CA 0.000 58.243 58.200 0.072 0.000 1.107 39 S CB 0.000 63.226 63.200 0.044 0.000 0.593 40 R N 2.093 122.646 120.500 0.088 0.000 3.987 40 R HA -0.211 4.127 4.340 -0.002 0.000 0.298 40 R C 0.423 176.773 176.300 0.083 0.000 0.268 40 R CA 2.150 58.300 56.100 0.083 0.000 1.023 40 R CB -1.340 29.004 30.300 0.074 0.000 0.974 40 R HN 0.640 nan 8.270 nan 0.000 0.570 41 K N 1.352 121.804 120.400 0.086 0.000 2.397 41 K HA 0.072 4.391 4.320 -0.002 0.000 0.265 41 K C -0.242 176.421 176.600 0.106 0.000 0.982 41 K CA 0.956 57.302 56.287 0.099 0.000 0.931 41 K CB 0.348 32.917 32.500 0.116 0.000 0.943 41 K HN 0.448 nan 8.250 nan 0.000 0.501 42 T N 1.590 116.217 114.554 0.122 0.000 2.942 42 T HA 0.193 4.542 4.350 -0.002 0.000 0.289 42 T C -1.503 173.321 174.700 0.206 0.000 1.044 42 T CA -0.530 61.653 62.100 0.138 0.000 1.023 42 T CB 0.388 69.329 68.868 0.122 0.000 1.123 42 T HN 0.441 nan 8.240 nan 0.000 0.512 43 Y N 2.529 122.895 120.300 0.111 0.000 2.531 43 Y HA 0.343 4.892 4.550 -0.002 0.000 0.347 43 Y C 0.553 176.603 175.900 0.251 0.000 1.024 43 Y CA 0.158 58.361 58.100 0.172 0.000 1.306 43 Y CB 0.024 38.546 38.460 0.104 0.000 1.149 43 Y HN 0.501 nan 8.280 nan 0.000 0.527 44 T N 6.651 121.119 114.554 -0.143 0.000 2.912 44 T HA 0.095 4.444 4.350 -0.002 0.000 0.280 44 T C 0.992 175.525 174.700 -0.279 0.000 0.989 44 T CA -0.704 61.358 62.100 -0.064 0.000 0.995 44 T CB 1.355 70.186 68.868 -0.062 0.000 1.077 44 T HN 0.709 nan 8.240 nan 0.000 0.531 45 L N 1.696 122.600 121.223 -0.531 0.000 2.017 45 L HA -0.050 4.289 4.340 -0.002 0.000 0.208 45 L C 2.459 179.184 176.870 -0.242 0.000 1.073 45 L CA 2.099 56.552 54.840 -0.644 0.000 0.745 45 L CB -1.404 40.163 42.059 -0.821 0.000 0.894 45 L HN 0.754 nan 8.230 nan 0.000 0.432 46 T N -0.296 114.135 114.554 -0.204 0.000 2.759 46 T HA -0.174 4.175 4.350 -0.002 0.000 0.269 46 T C 1.494 176.105 174.700 -0.148 0.000 1.042 46 T CA 1.488 63.504 62.100 -0.140 0.000 1.140 46 T CB -0.384 68.420 68.868 -0.107 0.000 0.864 46 T HN 0.419 nan 8.240 nan 0.000 0.455 47 D N 0.063 120.336 120.400 -0.210 0.000 2.104 47 D HA -0.107 4.531 4.640 -0.002 0.000 0.194 47 D C 1.735 177.951 176.300 -0.140 0.000 0.994 47 D CA 1.128 54.974 54.000 -0.257 0.000 0.830 47 D CB -0.392 40.119 40.800 -0.482 0.000 0.959 47 D HN 0.439 nan 8.370 nan 0.000 0.452 48 Y N 1.087 121.230 120.300 -0.262 0.000 2.163 48 Y HA -0.146 4.403 4.550 -0.002 0.000 0.288 48 Y C 1.992 177.913 175.900 0.035 0.000 1.136 48 Y CA 0.960 59.072 58.100 0.021 0.000 1.147 48 Y CB -0.476 38.047 38.460 0.105 0.000 0.987 48 Y HN -0.130 nan 8.280 nan 0.000 0.509 49 L N 0.545 121.607 121.223 -0.268 0.000 2.141 49 L HA -0.118 4.221 4.340 -0.002 0.000 0.209 49 L C 1.902 178.661 176.870 -0.186 0.000 1.094 49 L CA 1.638 56.295 54.840 -0.306 0.000 0.763 49 L CB -0.905 41.067 42.059 -0.145 0.000 0.908 49 L HN 0.169 nan 8.230 nan 0.000 0.437 50 K N -0.469 119.850 120.400 -0.136 0.000 2.367 50 K HA 0.144 4.463 4.320 -0.002 0.000 0.194 50 K C -0.029 176.517 176.600 -0.089 0.000 1.027 50 K CA -0.160 56.066 56.287 -0.102 0.000 1.075 50 K CB -0.005 32.439 32.500 -0.094 0.000 0.845 50 K HN 0.217 nan 8.250 nan 0.000 0.529 51 N N 1.356 120.012 118.700 -0.074 0.000 2.708 51 N HA -0.129 4.610 4.740 -0.002 0.000 0.255 51 N C 0.305 175.795 175.510 -0.033 0.000 1.046 51 N CA 0.890 53.935 53.050 -0.008 0.000 0.715 51 N CB -1.672 36.803 38.487 -0.019 0.000 0.895 51 N HN 0.134 nan 8.380 nan 0.000 0.545 52 T N -1.436 113.054 114.554 -0.106 0.000 2.867 52 T HA -0.125 4.224 4.350 -0.002 0.000 0.268 52 T C 0.439 174.934 174.700 -0.342 0.000 1.057 52 T CA 1.267 63.177 62.100 -0.317 0.000 1.136 52 T CB -0.051 68.440 68.868 -0.627 0.000 0.874 52 T HN 0.378 nan 8.240 nan 0.000 0.466 53 Y N 1.791 122.176 120.300 0.141 0.000 2.712 53 Y HA 0.457 5.006 4.550 -0.002 0.000 0.328 53 Y C 0.391 176.391 175.900 0.166 0.000 0.995 53 Y CA -1.252 56.951 58.100 0.172 0.000 1.283 53 Y CB 0.391 39.011 38.460 0.266 0.000 1.092 53 Y HN -0.156 nan 8.280 nan 0.000 0.519 54 R N 2.698 123.334 120.500 0.225 0.000 2.410 54 R HA 0.460 4.799 4.340 -0.002 0.000 0.288 54 R C -0.706 175.699 176.300 0.175 0.000 1.051 54 R CA -0.737 55.464 56.100 0.167 0.000 1.021 54 R CB 1.136 31.494 30.300 0.096 0.000 1.032 54 R HN 0.571 nan 8.270 nan 0.000 0.481 55 L N 4.050 125.376 121.223 0.172 0.000 2.290 55 L HA 0.230 4.569 4.340 -0.002 0.000 0.284 55 L C 0.452 177.392 176.870 0.117 0.000 1.078 55 L CA -0.135 54.804 54.840 0.166 0.000 0.815 55 L CB 0.677 42.856 42.059 0.199 0.000 1.162 55 L HN 0.374 nan 8.230 nan 0.000 0.435 56 K N 4.534 124.992 120.400 0.096 0.000 2.154 56 K HA 0.592 4.911 4.320 -0.002 0.000 0.264 56 K C -0.581 176.018 176.600 -0.001 0.000 1.008 56 K CA -0.521 55.793 56.287 0.046 0.000 0.937 56 K CB 1.520 34.045 32.500 0.043 0.000 1.002 56 K HN 0.446 nan 8.250 nan 0.000 0.469 57 L N 1.012 122.164 121.223 -0.117 0.000 2.256 57 L HA 0.452 4.790 4.340 -0.002 0.000 0.261 57 L C -1.095 175.508 176.870 -0.445 0.000 1.022 57 L CA -1.096 53.527 54.840 -0.362 0.000 0.828 57 L CB 1.222 43.201 42.059 -0.133 0.000 1.374 57 L HN 0.575 nan 8.230 nan 0.000 0.436 58 Y N 0.376 120.198 120.300 -0.796 0.000 2.517 58 Y HA 0.305 4.854 4.550 -0.002 0.000 0.346 58 Y C -0.699 175.078 175.900 -0.204 0.000 1.113 58 Y CA -0.529 57.329 58.100 -0.404 0.000 1.295 58 Y CB 1.242 39.364 38.460 -0.562 0.000 1.094 58 Y HN 0.381 nan 8.280 nan 0.000 0.608 59 S N 6.019 121.671 115.700 -0.080 0.000 2.430 59 S HA 0.573 5.042 4.470 -0.002 0.000 0.289 59 S C -0.485 174.089 174.600 -0.043 0.000 1.143 59 S CA -0.600 57.581 58.200 -0.030 0.000 1.067 59 S CB 0.239 63.420 63.200 -0.032 0.000 0.964 59 S HN 0.643 nan 8.310 nan 0.000 0.485 60 L N 2.150 123.317 121.223 -0.092 0.000 2.323 60 L HA 0.745 5.084 4.340 -0.002 0.000 0.265 60 L C -1.013 175.773 176.870 -0.139 0.000 1.012 60 L CA -1.051 53.675 54.840 -0.190 0.000 0.820 60 L CB 1.745 43.407 42.059 -0.660 0.000 1.334 60 L HN 0.441 nan 8.230 nan 0.000 0.427 61 R N 2.449 122.917 120.500 -0.053 0.000 2.371 61 R HA 0.331 4.670 4.340 -0.002 0.000 0.312 61 R C -1.622 174.737 176.300 0.099 0.000 0.980 61 R CA -0.430 55.702 56.100 0.052 0.000 0.867 61 R CB 1.153 31.538 30.300 0.142 0.000 1.163 61 R HN 0.634 nan 8.270 nan 0.000 0.492 62 W N 4.180 125.587 121.300 0.179 0.000 2.223 62 W HA 0.070 4.729 4.660 -0.002 0.000 0.334 62 W C 1.647 178.254 176.519 0.146 0.000 1.334 62 W CA -0.367 57.093 57.345 0.192 0.000 1.246 62 W CB 0.463 30.035 29.460 0.186 0.000 1.184 62 W HN 0.628 nan 8.180 nan 0.000 0.563 63 I N 0.223 121.008 120.570 0.358 0.000 4.154 63 I HA 0.323 4.492 4.170 -0.002 0.000 0.334 63 I C 0.524 176.741 176.117 0.166 0.000 1.371 63 I CA -0.100 61.318 61.300 0.197 0.000 1.110 63 I CB -0.219 37.822 38.000 0.070 0.000 1.085 63 I HN 0.302 nan 8.210 nan 0.000 0.398 64 S N 0.544 116.380 115.700 0.227 0.000 2.755 64 S HA 0.183 4.652 4.470 -0.002 0.000 0.286 64 S C -0.029 174.695 174.600 0.207 0.000 1.207 64 S CA 0.050 58.351 58.200 0.168 0.000 0.892 64 S CB 0.804 64.053 63.200 0.080 0.000 1.240 64 S HN 0.232 nan 8.310 nan 0.000 0.525 65 D N 0.570 121.114 120.400 0.240 0.000 2.312 65 D HA -0.074 4.565 4.640 -0.002 0.000 0.211 65 D C 1.140 177.688 176.300 0.414 0.000 0.964 65 D CA 1.719 55.860 54.000 0.236 0.000 0.877 65 D CB -0.603 40.331 40.800 0.223 0.000 0.924 65 D HN 0.860 nan 8.370 nan 0.000 0.515 66 H N -1.857 117.386 119.070 0.289 0.000 3.650 66 H HA 0.409 4.964 4.556 -0.002 0.000 0.260 66 H C -0.514 174.972 175.328 0.264 0.000 1.194 66 H CA -0.415 55.814 56.048 0.302 0.000 1.135 66 H CB 0.149 30.074 29.762 0.271 0.000 1.612 66 H HN 0.015 nan 8.280 nan 0.000 0.703 67 E N 1.085 121.300 120.200 0.024 0.000 2.288 67 E HA 0.413 4.762 4.350 -0.002 0.000 0.268 67 E C -1.476 175.269 176.600 0.242 0.000 0.885 67 E CA -1.233 55.164 56.400 -0.006 0.000 0.767 67 E CB 2.937 32.512 29.700 -0.208 0.000 1.220 67 E HN 0.290 nan 8.360 nan 0.000 0.427 68 Y N -0.638 119.672 120.300 0.017 0.000 2.553 68 Y HA 0.616 5.165 4.550 -0.002 0.000 0.347 68 Y C -1.518 174.371 175.900 -0.018 0.000 1.019 68 Y CA -1.309 56.720 58.100 -0.118 0.000 1.032 68 Y CB 0.834 38.930 38.460 -0.607 0.000 1.284 68 Y HN 0.321 nan 8.280 nan 0.000 0.466 69 L N 3.366 124.729 121.223 0.233 0.000 2.322 69 L HA 0.496 4.835 4.340 -0.002 0.000 0.279 69 L C -1.312 175.761 176.870 0.339 0.000 1.036 69 L CA -0.992 53.981 54.840 0.222 0.000 0.807 69 L CB 1.564 43.717 42.059 0.156 0.000 1.226 69 L HN 0.806 nan 8.230 nan 0.000 0.433 70 Y N 2.740 123.132 120.300 0.153 0.000 2.441 70 Y HA 0.300 4.849 4.550 -0.002 0.000 0.334 70 Y C -0.999 174.920 175.900 0.030 0.000 1.061 70 Y CA -1.416 56.690 58.100 0.010 0.000 1.032 70 Y CB 1.493 39.872 38.460 -0.135 0.000 1.266 70 Y HN 0.482 nan 8.280 nan 0.000 0.441 71 K N 5.091 125.221 120.400 -0.450 0.000 2.299 71 K HA 0.394 4.712 4.320 -0.002 0.000 0.268 71 K C -0.987 175.269 176.600 -0.573 0.000 1.075 71 K CA -0.791 55.291 56.287 -0.342 0.000 0.936 71 K CB 1.676 34.092 32.500 -0.140 0.000 1.228 71 K HN 0.672 nan 8.250 nan 0.000 0.454 72 Q N 3.182 122.760 119.800 -0.370 0.000 2.278 72 Q HA 0.103 4.442 4.340 -0.002 0.000 0.257 72 Q C -0.706 175.217 176.000 -0.128 0.000 0.928 72 Q CA 0.198 55.851 55.803 -0.249 0.000 0.932 72 Q CB 0.820 29.552 28.738 -0.011 0.000 1.221 72 Q HN 0.800 nan 8.270 nan 0.000 0.434 73 E N 2.212 122.344 120.200 -0.114 0.000 3.132 73 E HA -0.360 3.989 4.350 -0.002 0.000 0.362 73 E C -0.397 176.153 176.600 -0.084 0.000 1.473 73 E CA 1.859 58.214 56.400 -0.074 0.000 1.471 73 E CB -0.820 28.852 29.700 -0.045 0.000 1.727 73 E HN 0.785 nan 8.360 nan 0.000 0.509 74 N N 0.861 119.522 118.700 -0.065 0.000 2.197 74 N HA 0.199 4.938 4.740 -0.002 0.000 0.228 74 N C -1.136 174.335 175.510 -0.066 0.000 1.212 74 N CA -0.112 52.901 53.050 -0.062 0.000 0.883 74 N CB 0.436 38.896 38.487 -0.044 0.000 1.107 74 N HN 0.149 nan 8.380 nan 0.000 0.519 75 N N 0.965 119.626 118.700 -0.065 0.000 2.529 75 N HA 0.246 4.985 4.740 -0.002 0.000 0.278 75 N C -0.442 175.036 175.510 -0.053 0.000 1.146 75 N CA 0.028 53.043 53.050 -0.059 0.000 0.980 75 N CB 1.721 40.184 38.487 -0.039 0.000 1.124 75 N HN 0.069 nan 8.380 nan 0.000 0.458 76 I N 2.886 123.429 120.570 -0.046 0.000 2.315 76 I HA 0.261 4.430 4.170 -0.002 0.000 0.291 76 I C -0.005 176.175 176.117 0.105 0.000 1.006 76 I CA -0.454 60.842 61.300 -0.006 0.000 1.265 76 I CB 0.776 38.725 38.000 -0.086 0.000 1.387 76 I HN 0.187 nan 8.210 nan 0.000 0.475 77 L N 6.917 128.240 121.223 0.166 0.000 2.325 77 L HA 0.584 4.923 4.340 -0.002 0.000 0.278 77 L C -0.309 176.700 176.870 0.232 0.000 1.023 77 L CA -0.936 54.025 54.840 0.202 0.000 0.811 77 L CB 2.084 44.343 42.059 0.333 0.000 1.249 77 L HN 0.320 nan 8.230 nan 0.000 0.431 78 V N 3.097 123.060 119.914 0.082 0.000 2.427 78 V HA 0.510 4.628 4.120 -0.002 0.000 0.286 78 V C -0.901 175.105 176.094 -0.147 0.000 1.034 78 V CA -0.161 62.140 62.300 0.001 0.000 0.893 78 V CB 1.395 33.159 31.823 -0.098 0.000 0.982 78 V HN 0.449 nan 8.190 nan 0.000 0.452 79 F N 5.161 124.853 119.950 -0.430 0.000 2.480 79 F HA 0.501 5.027 4.527 -0.002 0.000 0.329 79 F C 0.402 175.903 175.800 -0.498 0.000 1.091 79 F CA -0.658 56.993 58.000 -0.583 0.000 0.972 79 F CB 1.653 39.887 39.000 -1.277 0.000 1.150 79 F HN 0.506 nan 8.300 nan 0.000 0.467 80 N N 1.836 120.446 118.700 -0.150 0.000 2.422 80 N HA 0.307 5.046 4.740 -0.002 0.000 0.266 80 N C 0.368 175.838 175.510 -0.066 0.000 1.007 80 N CA 0.101 53.119 53.050 -0.054 0.000 0.941 80 N CB 1.854 40.380 38.487 0.065 0.000 1.115 80 N HN 0.775 nan 8.380 nan 0.000 0.492 81 A N 3.605 126.357 122.820 -0.114 0.000 1.930 81 A HA -0.105 4.214 4.320 -0.002 0.000 0.217 81 A C 1.830 179.171 177.584 -0.405 0.000 1.175 81 A CA 1.001 52.898 52.037 -0.233 0.000 0.627 81 A CB -0.289 18.486 19.000 -0.375 0.000 0.815 81 A HN 0.709 nan 8.150 nan 0.000 0.443 82 E N -0.574 119.339 120.200 -0.479 0.000 2.047 82 E HA -0.141 4.208 4.350 -0.002 0.000 0.191 82 E C 1.318 177.614 176.600 -0.506 0.000 0.987 82 E CA 1.528 57.622 56.400 -0.510 0.000 0.799 82 E CB -0.318 28.951 29.700 -0.718 0.000 0.752 82 E HN 0.729 nan 8.360 nan 0.000 0.449 83 Y N -1.827 118.467 120.300 -0.010 0.000 2.481 83 Y HA 0.331 4.880 4.550 -0.002 0.000 0.258 83 Y C 1.635 177.524 175.900 -0.018 0.000 1.103 83 Y CA 0.419 58.515 58.100 -0.006 0.000 1.287 83 Y CB 0.520 38.978 38.460 -0.003 0.000 1.108 83 Y HN 0.164 nan 8.280 nan 0.000 0.529 84 G N 1.085 109.933 108.800 0.081 0.000 2.162 84 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.260 84 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.260 84 G C 0.155 175.065 174.900 0.017 0.000 0.976 84 G CA 0.303 45.445 45.100 0.070 0.000 0.655 84 G HN 0.487 nan 8.290 nan 0.000 0.533 85 N N 0.353 119.052 118.700 -0.003 0.000 2.467 85 N HA 0.550 5.289 4.740 -0.002 0.000 0.262 85 N C 0.027 175.374 175.510 -0.272 0.000 1.234 85 N CA 0.718 53.708 53.050 -0.101 0.000 0.952 85 N CB 1.546 40.000 38.487 -0.056 0.000 1.158 85 N HN 1.036 nan 8.380 nan 0.000 0.463 86 S N -1.016 114.455 115.700 -0.381 0.000 2.596 86 S HA 0.749 5.217 4.470 -0.002 0.000 0.270 86 S C -1.065 173.324 174.600 -0.352 0.000 1.155 86 S CA -0.753 57.093 58.200 -0.591 0.000 0.827 86 S CB 1.206 63.561 63.200 -1.408 0.000 1.130 86 S HN 0.898 nan 8.310 nan 0.000 0.467 87 S N -0.127 115.403 115.700 -0.284 0.000 2.671 87 S HA 0.720 5.189 4.470 -0.002 0.000 0.277 87 S C -0.974 173.579 174.600 -0.077 0.000 1.165 87 S CA -0.607 57.507 58.200 -0.142 0.000 0.822 87 S CB 0.968 64.117 63.200 -0.084 0.000 1.150 87 S HN 1.818 nan 8.310 nan 0.000 0.479 88 V N 2.296 122.189 119.914 -0.034 0.000 2.385 88 V HA 0.461 4.580 4.120 -0.002 0.000 0.269 88 V C 0.410 176.539 176.094 0.060 0.000 1.043 88 V CA -0.412 61.891 62.300 0.005 0.000 0.906 88 V CB 0.211 32.016 31.823 -0.030 0.000 0.995 88 V HN 0.865 nan 8.190 nan 0.000 0.467 89 F N 6.500 126.412 119.950 -0.063 0.000 2.118 89 F HA 0.320 4.846 4.527 -0.002 0.000 0.293 89 F C 0.560 176.321 175.800 -0.066 0.000 1.102 89 F CA 1.194 59.160 58.000 -0.057 0.000 1.247 89 F CB 0.325 39.296 39.000 -0.047 0.000 1.017 89 F HN 0.409 nan 8.300 nan 0.000 0.475 90 L N 1.379 122.503 121.223 -0.166 0.000 2.406 90 L HA 0.318 4.657 4.340 -0.002 0.000 0.270 90 L C -0.804 175.953 176.870 -0.189 0.000 0.982 90 L CA -0.625 54.032 54.840 -0.305 0.000 0.843 90 L CB 1.336 43.203 42.059 -0.320 0.000 1.225 90 L HN -0.047 nan 8.230 nan 0.000 0.412 91 E N 2.041 122.117 120.200 -0.208 0.000 2.384 91 E HA -0.061 4.288 4.350 -0.002 0.000 0.266 91 E C 0.780 177.275 176.600 -0.176 0.000 1.012 91 E CA -0.006 56.296 56.400 -0.164 0.000 0.901 91 E CB 0.811 30.412 29.700 -0.164 0.000 0.967 91 E HN 0.676 nan 8.360 nan 0.000 0.435 92 N N 1.347 119.975 118.700 -0.119 0.000 2.348 92 N HA -0.198 4.541 4.740 -0.002 0.000 0.185 92 N C 0.958 176.403 175.510 -0.108 0.000 1.019 92 N CA 1.620 54.614 53.050 -0.094 0.000 0.880 92 N CB -0.193 38.255 38.487 -0.066 0.000 0.965 92 N HN 0.274 nan 8.380 nan 0.000 0.437 93 S N -1.364 114.256 115.700 -0.135 0.000 2.461 93 S HA -0.018 4.451 4.470 -0.002 0.000 0.228 93 S C 1.712 176.182 174.600 -0.216 0.000 1.005 93 S CA 0.785 58.903 58.200 -0.137 0.000 0.942 93 S CB -0.823 62.308 63.200 -0.116 0.000 0.776 93 S HN 0.326 nan 8.310 nan 0.000 0.514 94 T N 2.343 116.672 114.554 -0.375 0.000 2.653 94 T HA -0.120 4.229 4.350 -0.002 0.000 0.268 94 T C 0.529 174.820 174.700 -0.682 0.000 1.035 94 T CA 1.470 63.177 62.100 -0.654 0.000 1.154 94 T CB -0.562 67.623 68.868 -1.138 0.000 0.862 94 T HN 0.548 nan 8.240 nan 0.000 0.441 95 F N 1.388 121.208 119.950 -0.217 0.000 2.898 95 F HA 0.323 4.849 4.527 -0.002 0.000 0.290 95 F C 1.171 176.931 175.800 -0.066 0.000 1.195 95 F CA -1.140 56.751 58.000 -0.181 0.000 1.387 95 F CB -0.424 38.370 39.000 -0.344 0.000 0.976 95 F HN -0.031 nan 8.300 nan 0.000 0.510 96 D N 0.596 121.010 120.400 0.025 0.000 2.123 96 D HA -0.155 4.484 4.640 -0.002 0.000 0.196 96 D C 1.526 177.854 176.300 0.047 0.000 0.992 96 D CA 1.361 55.375 54.000 0.022 0.000 0.833 96 D CB 0.038 40.825 40.800 -0.021 0.000 0.954 96 D HN 0.379 nan 8.370 nan 0.000 0.455 97 E N -0.597 119.636 120.200 0.055 0.000 2.335 97 E HA -0.003 4.346 4.350 -0.002 0.000 0.191 97 E C 0.821 177.462 176.600 0.067 0.000 1.077 97 E CA -0.333 56.089 56.400 0.035 0.000 1.010 97 E CB -0.022 29.686 29.700 0.013 0.000 1.141 97 E HN 0.246 nan 8.360 nan 0.000 0.452 98 F N 0.969 120.893 119.950 -0.043 0.000 2.206 98 F HA -0.005 4.521 4.527 -0.002 0.000 0.298 98 F C 1.835 177.501 175.800 -0.224 0.000 1.090 98 F CA 1.815 59.763 58.000 -0.087 0.000 1.323 98 F CB 0.171 39.121 39.000 -0.083 0.000 1.028 98 F HN 0.238 nan 8.300 nan 0.000 0.492 99 G N -0.907 107.792 108.800 -0.167 0.000 2.268 99 G HA2 -0.299 3.659 3.960 -0.002 0.000 0.240 99 G HA3 -0.299 3.659 3.960 -0.002 0.000 0.240 99 G C 0.114 174.767 174.900 -0.412 0.000 1.010 99 G CA 0.322 45.192 45.100 -0.383 0.000 0.618 99 G HN 0.574 nan 8.290 nan 0.000 0.516 100 H N 0.311 119.353 119.070 -0.048 0.000 2.492 100 H HA 0.676 5.231 4.556 -0.002 0.000 0.345 100 H C 0.053 175.461 175.328 0.132 0.000 1.136 100 H CA -0.003 56.053 56.048 0.013 0.000 1.202 100 H CB 1.807 31.416 29.762 -0.255 0.000 1.524 100 H HN 0.160 nan 8.280 nan 0.000 0.506 101 S N 2.543 118.367 115.700 0.207 0.000 2.488 101 S HA 0.151 4.620 4.470 -0.002 0.000 0.278 101 S C 0.141 174.801 174.600 0.100 0.000 1.259 101 S CA -0.577 57.692 58.200 0.116 0.000 1.061 101 S CB -0.296 62.954 63.200 0.083 0.000 0.910 101 S HN 0.380 nan 8.310 nan 0.000 0.491 102 I N 5.771 126.343 120.570 0.003 0.000 2.395 102 I HA 0.159 4.328 4.170 -0.002 0.000 0.289 102 I C 1.656 177.751 176.117 -0.037 0.000 1.023 102 I CA -0.295 60.969 61.300 -0.060 0.000 1.350 102 I CB 0.893 38.760 38.000 -0.222 0.000 1.409 102 I HN 0.730 nan 8.210 nan 0.000 0.507 103 N N 3.373 122.049 118.700 -0.040 0.000 2.368 103 N HA -0.022 4.717 4.740 -0.002 0.000 0.178 103 N C 0.036 175.487 175.510 -0.098 0.000 1.021 103 N CA 0.883 53.870 53.050 -0.104 0.000 0.875 103 N CB 0.566 38.954 38.487 -0.166 0.000 1.020 103 N HN 0.677 nan 8.380 nan 0.000 0.433 104 D N -1.900 118.471 120.400 -0.048 0.000 2.692 104 D HA 0.241 4.880 4.640 -0.002 0.000 0.303 104 D C -1.628 174.724 176.300 0.087 0.000 1.278 104 D CA -0.457 53.537 54.000 -0.010 0.000 0.852 104 D CB 0.886 41.635 40.800 -0.085 0.000 1.375 104 D HN 0.109 nan 8.370 nan 0.000 0.453 105 Y N -1.354 118.977 120.300 0.051 0.000 2.588 105 Y HA 0.764 5.313 4.550 -0.002 0.000 0.343 105 Y C -1.268 174.736 175.900 0.174 0.000 1.065 105 Y CA -0.970 57.190 58.100 0.100 0.000 1.038 105 Y CB 1.820 40.342 38.460 0.103 0.000 1.297 105 Y HN 0.154 nan 8.280 nan 0.000 0.467 106 S N 3.354 119.282 115.700 0.381 0.000 2.720 106 S HA 0.596 5.065 4.470 -0.002 0.000 0.278 106 S C -1.376 173.636 174.600 0.687 0.000 1.172 106 S CA -0.702 57.733 58.200 0.392 0.000 1.019 106 S CB 0.199 63.570 63.200 0.286 0.000 1.049 106 S HN 0.679 nan 8.310 nan 0.000 0.483 107 I N 4.583 125.484 120.570 0.552 0.000 2.395 107 I HA 0.274 4.443 4.170 -0.002 0.000 0.289 107 I C 1.044 177.137 176.117 -0.041 0.000 1.023 107 I CA -0.611 60.910 61.300 0.367 0.000 1.350 107 I CB 1.406 39.611 38.000 0.342 0.000 1.409 107 I HN 0.727 nan 8.210 nan 0.000 0.507 108 S N 6.412 121.783 115.700 -0.548 0.000 2.573 108 S HA 0.132 4.601 4.470 -0.002 0.000 0.277 108 S C -1.815 172.473 174.600 -0.520 0.000 1.346 108 S CA -0.885 56.459 58.200 -1.426 0.000 1.034 108 S CB 0.446 62.714 63.200 -1.552 0.000 0.879 108 S HN 0.476 nan 8.310 nan 0.000 0.528 109 P HA -0.023 nan 4.420 nan 0.000 0.221 109 P C 0.536 177.769 177.300 -0.112 0.000 1.150 109 P CA 1.064 64.071 63.100 -0.154 0.000 0.800 109 P CB -0.204 31.434 31.700 -0.104 0.000 0.787 110 D N -1.596 118.731 120.400 -0.121 0.000 2.328 110 D HA 0.125 4.764 4.640 -0.002 0.000 0.226 110 D C 1.384 177.656 176.300 -0.048 0.000 1.066 110 D CA 0.194 54.162 54.000 -0.053 0.000 0.861 110 D CB -1.162 39.633 40.800 -0.009 0.000 0.912 110 D HN 0.162 nan 8.370 nan 0.000 0.521 111 G N 0.542 109.298 108.800 -0.075 0.000 2.166 111 G HA2 -0.414 3.545 3.960 -0.002 0.000 0.260 111 G HA3 -0.414 3.545 3.960 -0.002 0.000 0.260 111 G C 0.913 175.785 174.900 -0.046 0.000 0.986 111 G CA 0.667 45.751 45.100 -0.026 0.000 0.683 111 G HN 0.481 nan 8.290 nan 0.000 0.527 112 Q N -1.678 118.029 119.800 -0.156 0.000 2.398 112 Q HA 0.393 4.732 4.340 -0.002 0.000 0.204 112 Q C 0.166 175.658 176.000 -0.846 0.000 0.932 112 Q CA 0.650 56.160 55.803 -0.490 0.000 0.916 112 Q CB 0.423 28.822 28.738 -0.565 0.000 1.024 112 Q HN 0.604 nan 8.270 nan 0.000 0.504 113 F N -0.755 119.158 119.950 -0.062 0.000 2.668 113 F HA 0.484 5.010 4.527 -0.002 0.000 0.309 113 F C -0.781 175.136 175.800 0.195 0.000 1.117 113 F CA -1.111 56.923 58.000 0.056 0.000 0.951 113 F CB 1.657 40.723 39.000 0.109 0.000 1.323 113 F HN -0.231 nan 8.300 nan 0.000 0.451 114 I N 2.640 123.550 120.570 0.567 0.000 2.545 114 I HA 0.491 4.660 4.170 -0.002 0.000 0.292 114 I C -1.629 174.826 176.117 0.562 0.000 1.040 114 I CA -0.815 60.831 61.300 0.576 0.000 1.068 114 I CB 1.778 40.068 38.000 0.482 0.000 1.251 114 I HN 0.507 nan 8.210 nan 0.000 0.424 115 L N 7.679 129.235 121.223 0.555 0.000 2.276 115 L HA 0.441 4.780 4.340 -0.002 0.000 0.286 115 L C -0.928 176.091 176.870 0.248 0.000 1.061 115 L CA -0.634 54.399 54.840 0.322 0.000 0.807 115 L CB 1.282 43.437 42.059 0.160 0.000 1.177 115 L HN 0.522 nan 8.230 nan 0.000 0.429 116 L N 4.500 125.807 121.223 0.140 0.000 2.296 116 L HA 0.452 4.791 4.340 -0.002 0.000 0.286 116 L C -0.127 176.778 176.870 0.059 0.000 1.023 116 L CA -0.358 54.466 54.840 -0.026 0.000 0.812 116 L CB 1.773 43.590 42.059 -0.403 0.000 1.223 116 L HN 0.567 nan 8.230 nan 0.000 0.421 117 E N 3.705 123.894 120.200 -0.018 0.000 2.166 117 E HA 0.480 4.829 4.350 -0.002 0.000 0.275 117 E C -1.692 174.843 176.600 -0.110 0.000 0.941 117 E CA -0.520 55.712 56.400 -0.280 0.000 0.784 117 E CB 1.370 30.977 29.700 -0.155 0.000 1.115 117 E HN 0.465 nan 8.360 nan 0.000 0.399 118 Y N 1.541 121.643 120.300 -0.331 0.000 2.689 118 Y HA 0.439 4.987 4.550 -0.002 0.000 0.333 118 Y C -0.400 175.406 175.900 -0.157 0.000 1.190 118 Y CA -1.438 56.564 58.100 -0.163 0.000 1.063 118 Y CB 0.576 39.005 38.460 -0.052 0.000 1.294 118 Y HN 0.520 nan 8.280 nan 0.000 0.466 119 N N -0.178 118.522 118.700 0.001 0.000 2.740 119 N HA -0.285 4.454 4.740 -0.002 0.000 0.248 119 N C -1.277 174.195 175.510 -0.063 0.000 1.062 119 N CA 0.984 53.988 53.050 -0.076 0.000 0.704 119 N CB -1.675 36.655 38.487 -0.261 0.000 0.968 119 N HN 0.842 nan 8.380 nan 0.000 0.547 120 Y N 0.095 120.318 120.300 -0.130 0.000 2.436 120 Y HA 0.405 4.954 4.550 -0.002 0.000 0.336 120 Y C -0.229 175.628 175.900 -0.072 0.000 1.049 120 Y CA -0.415 57.606 58.100 -0.130 0.000 1.294 120 Y CB 0.737 39.067 38.460 -0.218 0.000 1.179 120 Y HN -0.006 nan 8.280 nan 0.000 0.520 121 V N 8.060 127.680 119.914 -0.490 0.000 2.407 121 V HA 0.224 4.343 4.120 -0.002 0.000 0.291 121 V C -0.215 175.493 176.094 -0.642 0.000 1.018 121 V CA -1.379 60.664 62.300 -0.428 0.000 0.842 121 V CB 1.227 32.922 31.823 -0.213 0.000 0.996 121 V HN 0.748 nan 8.190 nan 0.000 0.426 122 K N 4.001 124.010 120.400 -0.652 0.000 2.412 122 K HA 0.178 4.497 4.320 -0.002 0.000 0.281 122 K C 0.508 176.935 176.600 -0.290 0.000 1.027 122 K CA 0.176 56.211 56.287 -0.421 0.000 0.989 122 K CB 1.026 33.477 32.500 -0.081 0.000 0.935 122 K HN 0.824 nan 8.250 nan 0.000 0.475 123 Q N 3.417 123.038 119.800 -0.298 0.000 2.496 123 Q HA 0.140 4.478 4.340 -0.002 0.000 0.299 123 Q C -0.026 175.699 176.000 -0.458 0.000 1.044 123 Q CA -0.165 55.290 55.803 -0.580 0.000 0.700 123 Q CB 0.035 28.323 28.738 -0.750 0.000 3.313 123 Q HN 0.727 nan 8.270 nan 0.000 0.449 124 W N -0.073 121.217 121.300 -0.017 0.000 1.941 124 W HA 0.380 5.039 4.660 -0.002 0.000 0.629 124 W C 1.860 178.360 176.519 -0.032 0.000 1.517 124 W CA -0.740 56.618 57.345 0.022 0.000 1.502 124 W CB -0.180 29.269 29.460 -0.018 0.000 3.266 124 W HN 0.251 nan 8.180 nan 0.000 0.765 125 R N -0.581 120.012 120.500 0.155 0.000 2.096 125 R HA -0.143 4.196 4.340 -0.002 0.000 0.235 125 R C 1.678 177.804 176.300 -0.291 0.000 1.127 125 R CA 1.758 57.772 56.100 -0.142 0.000 0.968 125 R CB -0.350 29.733 30.300 -0.362 0.000 0.861 125 R HN 0.503 nan 8.270 nan 0.000 0.440 126 H N -1.387 117.765 119.070 0.138 0.000 2.800 126 H HA 0.162 4.717 4.556 -0.002 0.000 0.257 126 H C 0.574 175.995 175.328 0.155 0.000 0.967 126 H CA 0.441 56.598 56.048 0.181 0.000 1.192 126 H CB 0.274 30.118 29.762 0.136 0.000 1.441 126 H HN 0.126 nan 8.280 nan 0.000 0.461 127 S N 1.505 117.182 115.700 -0.037 0.000 2.585 127 S HA 0.363 4.831 4.470 -0.002 0.000 0.273 127 S C -0.311 174.172 174.600 -0.195 0.000 1.339 127 S CA -0.446 57.418 58.200 -0.560 0.000 1.028 127 S CB 0.567 63.034 63.200 -1.222 0.000 0.906 127 S HN 0.440 nan 8.310 nan 0.000 0.528 128 Y N -2.464 117.722 120.300 -0.189 0.000 2.732 128 Y HA 0.653 5.202 4.550 -0.002 0.000 0.342 128 Y C -0.686 175.176 175.900 -0.064 0.000 1.203 128 Y CA -1.046 56.918 58.100 -0.226 0.000 1.092 128 Y CB 0.358 38.627 38.460 -0.318 0.000 1.345 128 Y HN 0.839 nan 8.280 nan 0.000 0.458 129 T N -0.253 114.352 114.554 0.086 0.000 2.950 129 T HA 1.023 5.372 4.350 -0.002 0.000 0.288 129 T C -0.380 174.408 174.700 0.148 0.000 1.035 129 T CA -0.196 61.980 62.100 0.126 0.000 1.028 129 T CB 1.825 70.711 68.868 0.031 0.000 1.109 129 T HN 1.853 nan 8.240 nan 0.000 0.514 130 A N 0.593 123.474 122.820 0.101 0.000 2.566 130 A HA 0.738 5.057 4.320 -0.002 0.000 0.290 130 A C -0.621 176.778 177.584 -0.308 0.000 1.071 130 A CA -0.949 51.007 52.037 -0.134 0.000 0.658 130 A CB 0.992 19.887 19.000 -0.176 0.000 1.285 130 A HN 0.809 nan 8.150 nan 0.000 0.427 131 S N -0.665 114.615 115.700 -0.701 0.000 2.608 131 S HA 0.806 5.275 4.470 -0.002 0.000 0.291 131 S C -1.495 172.488 174.600 -1.028 0.000 1.146 131 S CA -0.041 57.662 58.200 -0.827 0.000 1.043 131 S CB 0.637 63.025 63.200 -1.353 0.000 1.037 131 S HN 0.445 nan 8.310 nan 0.000 0.520 132 Y N 0.364 120.459 120.300 -0.341 0.000 2.524 132 Y HA 0.489 5.037 4.550 -0.002 0.000 0.347 132 Y C -0.338 175.597 175.900 0.058 0.000 1.005 132 Y CA -0.900 57.129 58.100 -0.119 0.000 1.025 132 Y CB 1.822 40.161 38.460 -0.201 0.000 1.275 132 Y HN 0.494 nan 8.280 nan 0.000 0.460 133 D N 1.856 122.445 120.400 0.315 0.000 2.527 133 D HA 0.587 5.226 4.640 -0.002 0.000 0.233 133 D C -1.078 175.345 176.300 0.205 0.000 1.063 133 D CA -0.350 53.811 54.000 0.268 0.000 0.880 133 D CB 2.430 43.462 40.800 0.386 0.000 1.457 133 D HN 0.372 nan 8.370 nan 0.000 0.475 134 I N 1.798 122.485 120.570 0.194 0.000 2.406 134 I HA 0.250 4.419 4.170 -0.002 0.000 0.290 134 I C -1.054 175.268 176.117 0.342 0.000 0.999 134 I CA -1.017 60.429 61.300 0.244 0.000 1.124 134 I CB 1.480 39.570 38.000 0.149 0.000 1.289 134 I HN 0.210 nan 8.210 nan 0.000 0.441 135 Y N 5.869 126.327 120.300 0.263 0.000 2.331 135 Y HA 0.314 4.863 4.550 -0.002 0.000 0.338 135 Y C -0.176 175.916 175.900 0.320 0.000 0.992 135 Y CA -0.736 57.530 58.100 0.278 0.000 1.121 135 Y CB 1.002 39.647 38.460 0.307 0.000 1.184 135 Y HN 0.497 nan 8.280 nan 0.000 0.469 136 D N 6.206 126.527 120.400 -0.132 0.000 2.325 136 D HA 0.079 4.717 4.640 -0.002 0.000 0.251 136 D C 0.570 176.597 176.300 -0.456 0.000 1.196 136 D CA 0.293 54.211 54.000 -0.137 0.000 0.866 136 D CB 1.059 41.842 40.800 -0.029 0.000 1.101 136 D HN 0.882 nan 8.370 nan 0.000 0.476 137 L N 3.918 124.912 121.223 -0.381 0.000 2.072 137 L HA -0.116 4.223 4.340 -0.002 0.000 0.205 137 L C 2.046 178.760 176.870 -0.260 0.000 1.079 137 L CA 0.517 55.181 54.840 -0.292 0.000 0.752 137 L CB -0.204 41.758 42.059 -0.161 0.000 0.906 137 L HN 0.380 nan 8.230 nan 0.000 0.436 138 N N 0.078 118.615 118.700 -0.271 0.000 2.188 138 N HA -0.080 4.658 4.740 -0.002 0.000 0.184 138 N C 0.764 176.178 175.510 -0.161 0.000 1.018 138 N CA 0.996 53.933 53.050 -0.187 0.000 0.858 138 N CB -0.008 38.372 38.487 -0.179 0.000 0.989 138 N HN 0.364 nan 8.380 nan 0.000 0.426 139 K N 0.152 120.440 120.400 -0.186 0.000 2.627 139 K HA 0.352 4.671 4.320 -0.002 0.000 0.269 139 K C 0.335 176.804 176.600 -0.219 0.000 1.029 139 K CA -0.331 55.864 56.287 -0.154 0.000 1.026 139 K CB 0.676 33.102 32.500 -0.124 0.000 1.350 139 K HN -0.085 nan 8.250 nan 0.000 0.506 140 R N 0.501 120.885 120.500 -0.192 0.000 2.734 140 R HA 0.144 4.483 4.340 -0.002 0.000 0.395 140 R C -0.652 175.534 176.300 -0.190 0.000 1.096 140 R CA -0.213 55.751 56.100 -0.226 0.000 1.071 140 R CB 0.873 31.166 30.300 -0.011 0.000 1.348 140 R HN 0.414 nan 8.270 nan 0.000 0.600 141 Q N 1.321 120.943 119.800 -0.297 0.000 2.322 141 Q HA 0.378 4.717 4.340 -0.002 0.000 0.265 141 Q C -0.665 175.334 176.000 -0.002 0.000 0.985 141 Q CA -0.626 55.141 55.803 -0.060 0.000 0.849 141 Q CB 1.452 30.170 28.738 -0.033 0.000 1.274 141 Q HN 0.245 nan 8.270 nan 0.000 0.449 142 L N 3.482 124.860 121.223 0.258 0.000 2.473 142 L HA 0.221 4.559 4.340 -0.002 0.000 0.268 142 L C 0.086 177.065 176.870 0.182 0.000 1.215 142 L CA 0.016 55.059 54.840 0.338 0.000 0.823 142 L CB 0.474 42.753 42.059 0.366 0.000 1.099 142 L HN 0.562 nan 8.230 nan 0.000 0.483 143 I N 1.079 121.752 120.570 0.171 0.000 2.353 143 I HA 0.113 4.282 4.170 -0.002 0.000 0.293 143 I C 0.662 176.826 176.117 0.079 0.000 0.992 143 I CA -0.028 61.335 61.300 0.104 0.000 1.268 143 I CB 1.576 39.625 38.000 0.082 0.000 1.387 143 I HN 0.676 nan 8.210 nan 0.000 0.478 144 T N 3.033 117.617 114.554 0.052 0.000 3.022 144 T HA 0.101 4.449 4.350 -0.002 0.000 0.250 144 T C 0.526 175.230 174.700 0.006 0.000 1.060 144 T CA 0.066 62.185 62.100 0.031 0.000 1.013 144 T CB -0.021 68.864 68.868 0.029 0.000 0.982 144 T HN 0.488 nan 8.240 nan 0.000 0.508 145 E N 1.937 122.138 120.200 0.002 0.000 2.249 145 E HA 0.186 4.535 4.350 -0.002 0.000 0.280 145 E C -0.461 176.118 176.600 -0.036 0.000 1.016 145 E CA -0.367 56.024 56.400 -0.015 0.000 0.830 145 E CB 0.459 30.155 29.700 -0.006 0.000 1.081 145 E HN 0.052 nan 8.360 nan 0.000 0.395 146 E N 1.964 122.131 120.200 -0.054 0.000 2.228 146 E HA -0.271 4.078 4.350 -0.002 0.000 0.213 146 E C -0.760 175.774 176.600 -0.110 0.000 1.282 146 E CA 0.705 57.057 56.400 -0.080 0.000 0.707 146 E CB -1.233 28.430 29.700 -0.061 0.000 1.150 146 E HN 0.545 nan 8.360 nan 0.000 0.362 147 R N -0.127 120.299 120.500 -0.124 0.000 2.694 147 R HA 0.314 4.653 4.340 -0.002 0.000 0.268 147 R C 1.210 177.344 176.300 -0.276 0.000 1.061 147 R CA -0.448 55.562 56.100 -0.150 0.000 1.133 147 R CB 0.510 30.744 30.300 -0.110 0.000 1.020 147 R HN 0.163 nan 8.270 nan 0.000 0.475 148 I N 4.109 124.481 120.570 -0.330 0.000 2.710 148 I HA 0.005 4.173 4.170 -0.002 0.000 0.286 148 I C -1.655 174.158 176.117 -0.506 0.000 1.181 148 I CA -1.425 59.523 61.300 -0.586 0.000 1.430 148 I CB 0.358 38.035 38.000 -0.539 0.000 1.367 148 I HN 0.319 nan 8.210 nan 0.000 0.577 149 P HA 0.139 nan 4.420 nan 0.000 0.276 149 P C -0.901 176.154 177.300 -0.408 0.000 1.252 149 P CA -0.552 62.153 63.100 -0.659 0.000 0.802 149 P CB 0.407 31.328 31.700 -1.300 0.000 1.035 150 N N 1.870 120.418 118.700 -0.254 0.000 2.381 150 N HA -0.019 4.720 4.740 -0.002 0.000 0.241 150 N C 0.650 176.211 175.510 0.084 0.000 1.279 150 N CA 0.415 53.402 53.050 -0.106 0.000 0.896 150 N CB -0.480 37.968 38.487 -0.064 0.000 1.118 150 N HN 0.437 nan 8.380 nan 0.000 0.438 151 N N -1.105 117.641 118.700 0.077 0.000 2.741 151 N HA -0.162 4.577 4.740 -0.002 0.000 0.250 151 N C -0.779 174.912 175.510 0.300 0.000 1.115 151 N CA 0.729 53.875 53.050 0.160 0.000 0.724 151 N CB -1.599 36.988 38.487 0.168 0.000 1.090 151 N HN 0.495 nan 8.380 nan 0.000 0.558 152 T N 0.845 115.554 114.554 0.259 0.000 2.930 152 T HA 0.076 4.425 4.350 -0.002 0.000 0.306 152 T C 1.701 176.565 174.700 0.274 0.000 1.045 152 T CA 0.276 62.549 62.100 0.288 0.000 1.134 152 T CB 1.119 70.065 68.868 0.130 0.000 0.961 152 T HN 0.195 nan 8.240 nan 0.000 0.545 153 Q N 1.345 121.305 119.800 0.268 0.000 2.373 153 Q HA 0.199 4.538 4.340 -0.002 0.000 0.210 153 Q C 0.081 176.277 176.000 0.327 0.000 0.913 153 Q CA 0.216 56.193 55.803 0.291 0.000 0.911 153 Q CB 0.962 29.858 28.738 0.263 0.000 1.040 153 Q HN 0.715 nan 8.270 nan 0.000 0.521 154 W N 0.129 121.420 121.300 -0.015 0.000 3.419 154 W HA 0.477 5.136 4.660 -0.002 0.000 0.298 154 W C -2.242 174.214 176.519 -0.105 0.000 1.260 154 W CA -0.648 56.643 57.345 -0.090 0.000 1.199 154 W CB 1.316 30.664 29.460 -0.186 0.000 1.349 154 W HN -0.344 nan 8.180 nan 0.000 0.557 155 V N 2.993 122.266 119.914 -1.068 0.000 2.841 155 V HA 0.706 4.825 4.120 -0.002 0.000 0.310 155 V C -0.507 174.974 176.094 -1.023 0.000 1.090 155 V CA -0.679 61.101 62.300 -0.867 0.000 0.930 155 V CB 1.708 32.914 31.823 -1.028 0.000 1.014 155 V HN 0.499 nan 8.190 nan 0.000 0.425 156 T N 2.475 116.771 114.554 -0.429 0.000 3.041 156 T HA 0.499 4.848 4.350 -0.002 0.000 0.321 156 T C -1.418 173.321 174.700 0.064 0.000 1.184 156 T CA -0.314 61.703 62.100 -0.139 0.000 1.050 156 T CB 0.775 69.805 68.868 0.269 0.000 1.159 156 T HN 0.541 nan 8.240 nan 0.000 0.469 157 W N 3.377 124.717 121.300 0.067 0.000 2.150 157 W HA 0.413 5.072 4.660 -0.002 0.000 0.341 157 W C 1.315 177.709 176.519 -0.208 0.000 1.276 157 W CA -0.657 56.678 57.345 -0.017 0.000 1.238 157 W CB 0.597 30.050 29.460 -0.011 0.000 1.128 157 W HN 0.789 nan 8.180 nan 0.000 0.581 158 S N 1.696 117.172 115.700 -0.374 0.000 2.596 158 S HA 0.113 4.582 4.470 -0.002 0.000 0.260 158 S C -1.775 172.606 174.600 -0.365 0.000 1.336 158 S CA -0.956 56.541 58.200 -1.171 0.000 0.993 158 S CB 0.579 62.921 63.200 -1.429 0.000 0.923 158 S HN 0.317 nan 8.310 nan 0.000 0.567 159 P HA 0.185 nan 4.420 nan 0.000 0.229 159 P C -0.241 177.022 177.300 -0.061 0.000 1.160 159 P CA 0.431 63.503 63.100 -0.046 0.000 0.777 159 P CB 0.144 31.853 31.700 0.015 0.000 0.814 160 V N -0.934 118.899 119.914 -0.134 0.000 2.722 160 V HA 0.614 4.733 4.120 -0.002 0.000 0.260 160 V C 0.334 176.333 176.094 -0.159 0.000 0.941 160 V CA 0.298 62.533 62.300 -0.109 0.000 0.888 160 V CB 0.875 32.653 31.823 -0.076 0.000 1.059 160 V HN 0.404 nan 8.190 nan 0.000 0.486 161 G N 3.382 112.081 108.800 -0.168 0.000 2.286 161 G HA2 0.065 4.024 3.960 -0.002 0.000 0.118 161 G HA3 0.065 4.024 3.960 -0.002 0.000 0.118 161 G C -0.077 174.707 174.900 -0.194 0.000 1.267 161 G CA 0.142 45.105 45.100 -0.229 0.000 1.171 161 G HN 1.181 nan 8.290 nan 0.000 0.465 162 H N -0.219 118.814 119.070 -0.061 0.000 3.204 162 H HA 0.376 4.930 4.556 -0.002 0.000 0.240 162 H C -0.074 175.394 175.328 0.233 0.000 1.259 162 H CA -0.382 55.670 56.048 0.007 0.000 0.991 162 H CB -0.114 29.675 29.762 0.045 0.000 2.583 162 H HN 0.380 nan 8.280 nan 0.000 0.638 163 K N 1.688 122.160 120.400 0.120 0.000 2.219 163 K HA 0.424 4.743 4.320 -0.002 0.000 0.258 163 K C -0.400 176.343 176.600 0.238 0.000 1.008 163 K CA -0.277 56.078 56.287 0.113 0.000 0.928 163 K CB 1.626 34.016 32.500 -0.184 0.000 0.983 163 K HN 0.155 nan 8.250 nan 0.000 0.484 164 L N 1.078 122.462 121.223 0.269 0.000 2.386 164 L HA 0.536 4.875 4.340 -0.002 0.000 0.271 164 L C -0.918 176.176 176.870 0.373 0.000 0.993 164 L CA -0.817 54.135 54.840 0.188 0.000 0.819 164 L CB 2.108 44.136 42.059 -0.053 0.000 1.294 164 L HN 0.707 nan 8.230 nan 0.000 0.414 165 A N 2.807 125.844 122.820 0.362 0.000 2.356 165 A HA 0.830 5.149 4.320 -0.002 0.000 0.310 165 A C -1.564 176.081 177.584 0.100 0.000 1.075 165 A CA -0.370 51.768 52.037 0.169 0.000 0.746 165 A CB 1.203 20.203 19.000 0.001 0.000 1.221 165 A HN 0.650 nan 8.150 nan 0.000 0.443 166 Y N -0.700 119.585 120.300 -0.024 0.000 2.615 166 Y HA 0.779 5.328 4.550 -0.002 0.000 0.341 166 Y C -1.285 174.648 175.900 0.055 0.000 1.089 166 Y CA -1.621 56.445 58.100 -0.057 0.000 1.049 166 Y CB 1.219 39.575 38.460 -0.174 0.000 1.296 166 Y HN 0.392 nan 8.280 nan 0.000 0.470 167 V N 2.102 122.189 119.914 0.288 0.000 2.444 167 V HA 0.355 4.474 4.120 -0.002 0.000 0.294 167 V C -1.569 174.743 176.094 0.363 0.000 1.022 167 V CA -0.589 61.843 62.300 0.221 0.000 0.850 167 V CB 1.286 33.158 31.823 0.082 0.000 0.992 167 V HN 0.863 nan 8.190 nan 0.000 0.426 168 W N 5.145 126.533 121.300 0.146 0.000 2.957 168 W HA 0.472 5.130 4.660 -0.002 0.000 0.336 168 W C 0.356 176.907 176.519 0.053 0.000 1.087 168 W CA -0.750 56.638 57.345 0.072 0.000 1.235 168 W CB 1.295 30.756 29.460 0.003 0.000 1.399 168 W HN 0.773 nan 8.180 nan 0.000 0.480 169 N N 5.029 123.430 118.700 -0.498 0.000 2.721 169 N HA -0.335 4.404 4.740 -0.002 0.000 0.249 169 N C -0.011 175.349 175.510 -0.249 0.000 1.072 169 N CA 1.027 53.759 53.050 -0.530 0.000 0.710 169 N CB -0.836 37.109 38.487 -0.902 0.000 0.993 169 N HN 0.723 nan 8.380 nan 0.000 0.547 170 N N -1.340 117.274 118.700 -0.142 0.000 2.878 170 N HA -0.147 4.591 4.740 -0.002 0.000 0.247 170 N C -1.371 174.077 175.510 -0.104 0.000 1.021 170 N CA 1.654 54.635 53.050 -0.116 0.000 0.873 170 N CB -0.576 37.796 38.487 -0.192 0.000 1.128 170 N HN 0.535 nan 8.380 nan 0.000 0.571 171 D N -0.135 120.225 120.400 -0.066 0.000 2.340 171 D HA 0.491 5.130 4.640 -0.002 0.000 0.240 171 D C 0.503 176.710 176.300 -0.155 0.000 1.001 171 D CA -0.457 53.441 54.000 -0.170 0.000 0.888 171 D CB 1.354 42.002 40.800 -0.254 0.000 1.310 171 D HN -0.009 nan 8.370 nan 0.000 0.474 172 I N 1.685 121.997 120.570 -0.431 0.000 2.365 172 I HA 0.180 4.349 4.170 -0.002 0.000 0.291 172 I C -0.637 175.090 176.117 -0.649 0.000 1.004 172 I CA -0.350 60.684 61.300 -0.444 0.000 1.311 172 I CB 0.444 38.084 38.000 -0.600 0.000 1.401 172 I HN 0.138 nan 8.210 nan 0.000 0.491 173 Y N 4.413 124.325 120.300 -0.646 0.000 2.524 173 Y HA 0.672 5.220 4.550 -0.002 0.000 0.344 173 Y C -0.191 175.354 175.900 -0.591 0.000 1.012 173 Y CA -1.026 56.646 58.100 -0.713 0.000 1.068 173 Y CB 1.840 39.642 38.460 -1.097 0.000 1.249 173 Y HN 0.114 nan 8.280 nan 0.000 0.468 174 V N 2.220 122.064 119.914 -0.117 0.000 2.735 174 V HA 0.501 4.620 4.120 -0.002 0.000 0.310 174 V C -0.864 175.364 176.094 0.223 0.000 1.061 174 V CA -1.402 60.937 62.300 0.064 0.000 0.913 174 V CB 2.098 33.978 31.823 0.095 0.000 1.005 174 V HN 0.610 nan 8.190 nan 0.000 0.428 175 K N 3.631 124.187 120.400 0.260 0.000 2.450 175 K HA 0.513 4.832 4.320 -0.002 0.000 0.257 175 K C 0.375 177.128 176.600 0.256 0.000 0.953 175 K CA -0.694 55.744 56.287 0.252 0.000 0.844 175 K CB 1.748 34.358 32.500 0.184 0.000 1.103 175 K HN 0.434 nan 8.250 nan 0.000 0.429 176 I N 1.375 122.111 120.570 0.276 0.000 2.233 176 I HA -0.098 4.071 4.170 -0.002 0.000 0.243 176 I C 0.535 176.783 176.117 0.220 0.000 1.093 176 I CA 1.568 63.006 61.300 0.229 0.000 1.380 176 I CB -0.233 37.908 38.000 0.236 0.000 1.067 176 I HN 0.584 nan 8.210 nan 0.000 0.413 177 E N -0.087 120.218 120.200 0.175 0.000 2.277 177 E HA 0.278 4.626 4.350 -0.002 0.000 0.266 177 E C -1.918 174.672 176.600 -0.018 0.000 0.901 177 E CA -1.983 54.480 56.400 0.105 0.000 0.782 177 E CB 1.400 31.157 29.700 0.095 0.000 1.228 177 E HN -0.146 nan 8.360 nan 0.000 0.424 178 P HA -0.180 nan 4.420 nan 0.000 0.216 178 P C 0.860 178.087 177.300 -0.122 0.000 1.153 178 P CA 1.532 64.485 63.100 -0.245 0.000 0.858 178 P CB 0.213 31.554 31.700 -0.597 0.000 0.789 179 N N -1.505 117.143 118.700 -0.087 0.000 2.398 179 N HA -0.017 4.722 4.740 -0.002 0.000 0.188 179 N C 0.240 175.740 175.510 -0.015 0.000 1.122 179 N CA 0.557 53.589 53.050 -0.031 0.000 0.866 179 N CB -0.509 37.979 38.487 0.002 0.000 0.970 179 N HN 0.046 nan 8.380 nan 0.000 0.462 180 L N 0.833 122.053 121.223 -0.005 0.000 2.387 180 L HA 0.587 4.925 4.340 -0.002 0.000 0.266 180 L C -2.163 174.691 176.870 -0.027 0.000 1.059 180 L CA -2.471 52.368 54.840 -0.002 0.000 0.801 180 L CB 0.682 42.762 42.059 0.034 0.000 1.223 180 L HN -0.138 nan 8.230 nan 0.000 0.456 181 P HA 0.056 nan 4.420 nan 0.000 0.265 181 P C -0.560 176.641 177.300 -0.165 0.000 1.193 181 P CA -0.138 62.889 63.100 -0.122 0.000 0.765 181 P CB 0.398 31.996 31.700 -0.170 0.000 0.823 182 S N 2.734 118.395 115.700 -0.065 0.000 2.584 182 S HA 0.333 4.802 4.470 -0.002 0.000 0.273 182 S C -0.725 173.839 174.600 -0.060 0.000 1.311 182 S CA -0.331 57.890 58.200 0.035 0.000 1.034 182 S CB 0.029 63.343 63.200 0.190 0.000 0.939 182 S HN 0.232 nan 8.310 nan 0.000 0.513 183 Y N 0.818 121.150 120.300 0.055 0.000 2.320 183 Y HA 0.450 4.999 4.550 -0.002 0.000 0.334 183 Y C 0.852 176.682 175.900 -0.116 0.000 1.055 183 Y CA -0.822 57.285 58.100 0.011 0.000 1.143 183 Y CB 1.025 39.492 38.460 0.011 0.000 1.193 183 Y HN 0.711 nan 8.280 nan 0.000 0.477 184 R N 3.516 123.966 120.500 -0.083 0.000 2.267 184 R HA 0.235 4.574 4.340 -0.002 0.000 0.319 184 R C 0.111 176.135 176.300 -0.460 0.000 1.067 184 R CA -0.063 55.672 56.100 -0.609 0.000 0.936 184 R CB 0.245 30.077 30.300 -0.779 0.000 1.006 184 R HN 0.757 nan 8.270 nan 0.000 0.452 185 I N 2.393 122.601 120.570 -0.604 0.000 2.867 185 I HA -0.005 4.164 4.170 -0.002 0.000 0.265 185 I C 1.006 176.916 176.117 -0.345 0.000 1.162 185 I CA 0.864 61.946 61.300 -0.363 0.000 1.471 185 I CB -0.644 37.116 38.000 -0.400 0.000 1.123 185 I HN 0.673 nan 8.210 nan 0.000 0.440 186 T N -4.192 110.006 114.554 -0.594 0.000 2.906 186 T HA 0.434 4.783 4.350 -0.002 0.000 0.295 186 T C -0.615 173.746 174.700 -0.566 0.000 1.075 186 T CA -0.503 61.358 62.100 -0.400 0.000 1.005 186 T CB 2.096 70.713 68.868 -0.419 0.000 1.136 186 T HN 0.156 nan 8.240 nan 0.000 0.498 187 W N -0.328 120.865 121.300 -0.179 0.000 2.324 187 W HA 0.219 4.878 4.660 -0.002 0.000 0.316 187 W C 1.955 178.422 176.519 -0.087 0.000 0.927 187 W CA 0.054 57.330 57.345 -0.116 0.000 1.438 187 W CB 0.337 29.747 29.460 -0.083 0.000 1.085 187 W HN 0.912 nan 8.180 nan 0.000 0.532 188 T N -2.434 112.166 114.554 0.076 0.000 3.107 188 T HA 0.280 4.629 4.350 -0.002 0.000 0.249 188 T C 1.249 175.946 174.700 -0.004 0.000 1.096 188 T CA 0.288 62.414 62.100 0.044 0.000 1.012 188 T CB -0.211 68.676 68.868 0.032 0.000 0.977 188 T HN 0.002 nan 8.240 nan 0.000 0.527 189 G N 1.266 110.033 108.800 -0.055 0.000 2.321 189 G HA2 0.340 4.299 3.960 -0.002 0.000 0.237 189 G HA3 0.340 4.299 3.960 -0.002 0.000 0.237 189 G C -0.590 174.255 174.900 -0.092 0.000 1.282 189 G CA -0.399 44.647 45.100 -0.090 0.000 0.886 189 G HN 0.572 nan 8.290 nan 0.000 0.528 190 K N 1.922 122.248 120.400 -0.123 0.000 2.616 190 K HA 0.142 4.460 4.320 -0.002 0.000 0.255 190 K C -0.220 176.266 176.600 -0.191 0.000 0.995 190 K CA -0.619 55.596 56.287 -0.121 0.000 0.860 190 K CB 1.449 33.916 32.500 -0.056 0.000 1.264 190 K HN 0.635 nan 8.250 nan 0.000 0.451 191 E N 2.937 123.023 120.200 -0.190 0.000 2.708 191 E HA -0.169 4.180 4.350 -0.002 0.000 0.260 191 E C -0.486 176.011 176.600 -0.172 0.000 0.937 191 E CA 1.163 57.439 56.400 -0.207 0.000 0.953 191 E CB 0.274 29.889 29.700 -0.141 0.000 0.915 191 E HN 0.655 nan 8.360 nan 0.000 0.487 192 D N 2.187 122.454 120.400 -0.222 0.000 3.059 192 D HA -0.252 4.387 4.640 -0.002 0.000 0.213 192 D C 0.465 176.826 176.300 0.102 0.000 1.144 192 D CA 1.613 55.614 54.000 0.001 0.000 0.975 192 D CB -0.842 39.997 40.800 0.065 0.000 1.125 192 D HN 0.509 nan 8.370 nan 0.000 0.412 193 I N -1.237 119.315 120.570 -0.029 0.000 3.990 193 I HA 0.060 4.229 4.170 -0.002 0.000 0.275 193 I C 0.113 176.350 176.117 0.200 0.000 1.157 193 I CA -0.022 61.355 61.300 0.127 0.000 1.338 193 I CB 0.893 38.926 38.000 0.055 0.000 1.588 193 I HN -0.177 nan 8.210 nan 0.000 0.441 194 I N 1.608 122.207 120.570 0.049 0.000 2.382 194 I HA 0.280 4.449 4.170 -0.002 0.000 0.286 194 I C -1.444 174.710 176.117 0.061 0.000 1.002 194 I CA -0.575 60.805 61.300 0.133 0.000 1.135 194 I CB 0.712 38.750 38.000 0.064 0.000 1.288 194 I HN 0.016 nan 8.210 nan 0.000 0.448 195 Y N 4.727 125.100 120.300 0.122 0.000 2.328 195 Y HA 0.409 4.958 4.550 -0.002 0.000 0.333 195 Y C 0.385 176.330 175.900 0.075 0.000 0.958 195 Y CA -0.949 57.225 58.100 0.124 0.000 1.167 195 Y CB 1.036 39.641 38.460 0.241 0.000 1.151 195 Y HN 0.402 nan 8.280 nan 0.000 0.470 196 N N 2.409 121.165 118.700 0.093 0.000 2.469 196 N HA 0.359 5.098 4.740 -0.002 0.000 0.253 196 N C 0.783 176.231 175.510 -0.104 0.000 0.970 196 N CA 0.329 53.354 53.050 -0.042 0.000 0.940 196 N CB 1.793 40.150 38.487 -0.216 0.000 1.128 196 N HN 0.987 nan 8.380 nan 0.000 0.503 197 G N 1.700 110.470 108.800 -0.050 0.000 2.143 197 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.249 197 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.249 197 G C 0.048 174.843 174.900 -0.176 0.000 0.981 197 G CA 0.587 45.609 45.100 -0.129 0.000 0.665 197 G HN 0.668 nan 8.290 nan 0.000 0.528 198 I N -2.804 117.731 120.570 -0.059 0.000 3.006 198 I HA 0.792 4.961 4.170 -0.002 0.000 0.306 198 I C 0.146 176.354 176.117 0.152 0.000 1.250 198 I CA -0.767 60.399 61.300 -0.222 0.000 0.996 198 I CB 1.845 39.472 38.000 -0.622 0.000 1.261 198 I HN 0.151 nan 8.210 nan 0.000 0.442 199 T N -0.531 114.069 114.554 0.078 0.000 2.918 199 T HA 0.398 4.746 4.350 -0.002 0.000 0.283 199 T C -0.191 174.364 174.700 -0.242 0.000 1.001 199 T CA -0.652 61.328 62.100 -0.199 0.000 1.041 199 T CB 1.340 70.100 68.868 -0.181 0.000 1.028 199 T HN 0.765 nan 8.240 nan 0.000 0.511 200 D N 0.237 120.179 120.400 -0.764 0.000 2.398 200 D HA -0.001 4.638 4.640 -0.002 0.000 0.264 200 D C 0.954 177.158 176.300 -0.160 0.000 1.263 200 D CA -1.030 52.545 54.000 -0.709 0.000 1.037 200 D CB 0.144 40.441 40.800 -0.838 0.000 1.101 200 D HN 0.715 nan 8.370 nan 0.000 0.551 201 W N 0.036 121.251 121.300 -0.141 0.000 2.335 201 W HA -0.205 4.453 4.660 -0.002 0.000 0.311 201 W C 2.083 178.462 176.519 -0.234 0.000 1.213 201 W CA 2.793 60.046 57.345 -0.153 0.000 1.274 201 W CB -0.325 29.006 29.460 -0.215 0.000 1.148 201 W HN 0.212 nan 8.180 nan 0.000 0.498 202 V N -1.439 118.519 119.914 0.074 0.000 2.307 202 V HA -0.320 3.799 4.120 -0.002 0.000 0.245 202 V C 1.838 177.712 176.094 -0.368 0.000 1.045 202 V CA 1.776 64.000 62.300 -0.127 0.000 1.024 202 V CB -1.834 29.877 31.823 -0.188 0.000 0.651 202 V HN 0.226 nan 8.190 nan 0.000 0.449 203 Y N 1.319 121.330 120.300 -0.480 0.000 2.207 203 Y HA -0.200 4.349 4.550 -0.002 0.000 0.287 203 Y C 2.841 178.440 175.900 -0.501 0.000 1.156 203 Y CA 2.240 59.940 58.100 -0.666 0.000 1.182 203 Y CB -0.188 37.576 38.460 -1.161 0.000 0.979 203 Y HN 0.406 nan 8.280 nan 0.000 0.521 204 E N 0.138 120.185 120.200 -0.255 0.000 2.047 204 E HA -0.264 4.085 4.350 -0.002 0.000 0.191 204 E C 2.029 178.537 176.600 -0.154 0.000 0.987 204 E CA 1.490 57.816 56.400 -0.124 0.000 0.799 204 E CB -0.026 29.638 29.700 -0.059 0.000 0.752 204 E HN 0.327 nan 8.360 nan 0.000 0.449 205 E N 0.097 120.035 120.200 -0.437 0.000 2.076 205 E HA -0.119 4.230 4.350 -0.002 0.000 0.190 205 E C 1.609 178.064 176.600 -0.242 0.000 0.979 205 E CA 1.358 57.486 56.400 -0.452 0.000 0.807 205 E CB 0.245 29.276 29.700 -1.114 0.000 0.761 205 E HN 0.267 nan 8.360 nan 0.000 0.454 206 E N -0.990 119.044 120.200 -0.278 0.000 2.364 206 E HA 0.100 4.449 4.350 -0.002 0.000 0.203 206 E C 1.956 178.444 176.600 -0.186 0.000 0.888 206 E CA 0.514 56.807 56.400 -0.179 0.000 0.989 206 E CB 0.606 30.185 29.700 -0.203 0.000 0.985 206 E HN 0.150 nan 8.360 nan 0.000 0.499 207 V N 0.532 120.266 119.914 -0.300 0.000 2.403 207 V HA -0.018 4.101 4.120 -0.002 0.000 0.239 207 V C 1.772 177.934 176.094 0.114 0.000 1.041 207 V CA 1.047 63.189 62.300 -0.264 0.000 1.051 207 V CB -0.311 31.103 31.823 -0.680 0.000 0.704 207 V HN 0.055 nan 8.190 nan 0.000 0.472 208 F N 0.455 120.395 119.950 -0.017 0.000 2.698 208 F HA 0.299 4.824 4.527 -0.002 0.000 0.295 208 F C 1.620 177.391 175.800 -0.049 0.000 1.124 208 F CA -0.131 57.889 58.000 0.035 0.000 1.426 208 F CB -1.039 38.023 39.000 0.104 0.000 1.120 208 F HN 0.153 nan 8.300 nan 0.000 0.583 209 S N 0.382 116.128 115.700 0.077 0.000 3.614 209 S HA 0.061 4.530 4.470 -0.002 0.000 0.360 209 S C 0.117 174.380 174.600 -0.561 0.000 1.023 209 S CA 0.485 58.627 58.200 -0.098 0.000 1.114 209 S CB -1.746 61.455 63.200 0.001 0.000 0.907 209 S HN 0.718 nan 8.310 nan 0.000 0.470 210 A N -0.523 122.098 122.820 -0.331 0.000 2.590 210 A HA 0.641 4.960 4.320 -0.002 0.000 0.294 210 A C -0.294 177.288 177.584 -0.004 0.000 1.046 210 A CA -0.482 51.361 52.037 -0.323 0.000 0.684 210 A CB 0.172 19.053 19.000 -0.198 0.000 1.279 210 A HN 0.334 nan 8.150 nan 0.000 0.415 211 Y N 1.432 121.619 120.300 -0.189 0.000 2.337 211 Y HA 0.173 4.721 4.550 -0.002 0.000 0.293 211 Y C 1.590 177.276 175.900 -0.358 0.000 1.123 211 Y CA 1.321 59.311 58.100 -0.183 0.000 1.201 211 Y CB 0.002 38.369 38.460 -0.155 0.000 1.011 211 Y HN 0.675 nan 8.280 nan 0.000 0.545 212 S N 0.235 115.512 115.700 -0.706 0.000 2.564 212 S HA 0.471 4.940 4.470 -0.002 0.000 0.278 212 S C 0.245 174.517 174.600 -0.547 0.000 1.333 212 S CA 0.152 57.733 58.200 -1.032 0.000 1.048 212 S CB 0.445 62.779 63.200 -1.442 0.000 0.900 212 S HN 0.399 nan 8.310 nan 0.000 0.505 213 A N 5.559 128.042 122.820 -0.561 0.000 2.992 213 A HA 0.512 4.831 4.320 -0.002 0.000 0.263 213 A C -0.652 176.376 177.584 -0.926 0.000 0.928 213 A CA -0.463 51.268 52.037 -0.510 0.000 1.061 213 A CB -0.027 19.119 19.000 0.243 0.000 1.173 213 A HN 0.694 nan 8.150 nan 0.000 0.482 214 L N 0.224 120.713 121.223 -1.224 0.000 2.386 214 L HA 0.617 4.956 4.340 -0.002 0.000 0.271 214 L C -1.137 175.204 176.870 -0.881 0.000 0.993 214 L CA -0.581 53.807 54.840 -0.752 0.000 0.819 214 L CB 1.985 43.829 42.059 -0.359 0.000 1.294 214 L HN 0.449 nan 8.230 nan 0.000 0.414 215 W N 2.199 123.570 121.300 0.118 0.000 2.631 215 W HA 0.242 4.901 4.660 -0.002 0.000 0.321 215 W C -1.095 175.661 176.519 0.395 0.000 1.004 215 W CA -1.026 56.504 57.345 0.308 0.000 1.291 215 W CB 1.299 30.991 29.460 0.387 0.000 1.300 215 W HN 0.494 nan 8.180 nan 0.000 0.422 216 W N 2.448 123.948 121.300 0.332 0.000 2.170 216 W HA 0.213 4.872 4.660 -0.002 0.000 0.336 216 W C 1.359 177.686 176.519 -0.319 0.000 1.283 216 W CA 0.350 57.749 57.345 0.090 0.000 1.224 216 W CB 0.850 30.344 29.460 0.057 0.000 1.132 216 W HN 0.187 nan 8.180 nan 0.000 0.571 217 S N 2.472 117.878 115.700 -0.491 0.000 2.600 217 S HA 0.203 4.671 4.470 -0.002 0.000 0.265 217 S C -1.761 172.599 174.600 -0.399 0.000 1.325 217 S CA -1.002 56.429 58.200 -1.282 0.000 1.002 217 S CB 1.091 63.601 63.200 -1.150 0.000 0.921 217 S HN 0.296 nan 8.310 nan 0.000 0.554 218 P HA -0.029 nan 4.420 nan 0.000 0.217 218 P C 1.085 178.346 177.300 -0.065 0.000 1.150 218 P CA 0.918 63.980 63.100 -0.063 0.000 0.832 218 P CB -0.107 31.605 31.700 0.019 0.000 0.787 219 N N -0.765 117.890 118.700 -0.076 0.000 2.289 219 N HA -0.081 4.658 4.740 -0.002 0.000 0.184 219 N C 1.423 176.864 175.510 -0.114 0.000 1.016 219 N CA 1.724 54.729 53.050 -0.075 0.000 0.872 219 N CB -0.813 37.634 38.487 -0.067 0.000 0.973 219 N HN 0.172 nan 8.380 nan 0.000 0.433 220 G N -1.684 107.053 108.800 -0.106 0.000 2.143 220 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.249 220 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.249 220 G C 1.069 175.978 174.900 0.015 0.000 0.981 220 G CA 1.046 46.073 45.100 -0.121 0.000 0.665 220 G HN 0.381 nan 8.290 nan 0.000 0.528 221 T N -0.081 114.428 114.554 -0.076 0.000 2.668 221 T HA 0.259 4.607 4.350 -0.002 0.000 0.258 221 T C 0.861 175.410 174.700 -0.250 0.000 1.051 221 T CA 1.234 63.170 62.100 -0.273 0.000 1.155 221 T CB -0.065 68.479 68.868 -0.539 0.000 0.864 221 T HN 0.271 nan 8.240 nan 0.000 0.413 222 F N 0.657 120.632 119.950 0.042 0.000 2.422 222 F HA 0.546 5.072 4.527 -0.002 0.000 0.333 222 F C -0.008 175.846 175.800 0.091 0.000 1.095 222 F CA -1.147 56.904 58.000 0.085 0.000 1.038 222 F CB 0.918 40.001 39.000 0.139 0.000 1.156 222 F HN -0.033 nan 8.300 nan 0.000 0.483 223 L N 3.094 124.446 121.223 0.214 0.000 2.319 223 L HA 0.704 5.043 4.340 -0.002 0.000 0.281 223 L C -0.609 176.360 176.870 0.166 0.000 1.005 223 L CA -0.517 54.285 54.840 -0.063 0.000 0.828 223 L CB 0.966 42.763 42.059 -0.438 0.000 1.227 223 L HN 0.819 nan 8.230 nan 0.000 0.415 224 A N 4.898 127.898 122.820 0.300 0.000 2.306 224 A HA 0.771 5.090 4.320 -0.002 0.000 0.330 224 A C -1.355 176.337 177.584 0.180 0.000 1.146 224 A CA -0.319 51.783 52.037 0.108 0.000 0.827 224 A CB 1.131 20.253 19.000 0.204 0.000 1.178 224 A HN 0.714 nan 8.150 nan 0.000 0.490 225 Y N -1.998 118.163 120.300 -0.232 0.000 2.624 225 Y HA 0.752 5.301 4.550 -0.002 0.000 0.334 225 Y C -0.458 175.362 175.900 -0.134 0.000 1.155 225 Y CA -0.915 57.149 58.100 -0.060 0.000 1.046 225 Y CB 0.819 39.195 38.460 -0.140 0.000 1.316 225 Y HN 0.984 nan 8.280 nan 0.000 0.457 226 A N 2.124 125.128 122.820 0.307 0.000 2.337 226 A HA 0.728 5.046 4.320 -0.002 0.000 0.331 226 A C -1.297 176.255 177.584 -0.053 0.000 1.137 226 A CA -0.836 51.244 52.037 0.072 0.000 0.807 226 A CB 1.863 20.924 19.000 0.102 0.000 1.250 226 A HN 0.837 nan 8.150 nan 0.000 0.468 227 Q N 1.145 120.814 119.800 -0.217 0.000 2.304 227 Q HA 0.617 4.956 4.340 -0.002 0.000 0.270 227 Q C -2.118 173.669 176.000 -0.355 0.000 1.035 227 Q CA -0.388 55.353 55.803 -0.103 0.000 0.781 227 Q CB 1.178 30.068 28.738 0.253 0.000 1.261 227 Q HN 0.587 nan 8.270 nan 0.000 0.444 228 F N 2.223 122.246 119.950 0.122 0.000 2.469 228 F HA 0.455 4.981 4.527 -0.002 0.000 0.332 228 F C 0.362 176.263 175.800 0.168 0.000 1.103 228 F CA -0.909 57.111 58.000 0.033 0.000 0.979 228 F CB 1.531 40.416 39.000 -0.191 0.000 1.137 228 F HN 0.440 nan 8.300 nan 0.000 0.463 229 N N 1.766 120.643 118.700 0.295 0.000 2.483 229 N HA 0.229 4.968 4.740 -0.002 0.000 0.267 229 N C -1.029 174.616 175.510 0.225 0.000 0.998 229 N CA -0.307 52.892 53.050 0.248 0.000 0.918 229 N CB 1.236 39.826 38.487 0.172 0.000 1.215 229 N HN 0.586 nan 8.380 nan 0.000 0.500 230 D N 1.398 121.954 120.400 0.260 0.000 2.424 230 D HA 0.140 4.779 4.640 -0.002 0.000 0.220 230 D C 1.220 177.617 176.300 0.162 0.000 1.150 230 D CA 0.090 54.217 54.000 0.211 0.000 0.831 230 D CB 0.615 41.581 40.800 0.277 0.000 0.981 230 D HN 0.473 nan 8.370 nan 0.000 0.500 231 T N 0.538 115.176 114.554 0.140 0.000 2.624 231 T HA -0.254 4.095 4.350 -0.002 0.000 0.266 231 T C 1.272 176.020 174.700 0.080 0.000 1.050 231 T CA 1.457 63.616 62.100 0.099 0.000 1.163 231 T CB -0.098 68.819 68.868 0.082 0.000 0.861 231 T HN 0.336 nan 8.240 nan 0.000 0.443 232 E N 0.350 120.595 120.200 0.075 0.000 2.465 232 E HA 0.200 4.549 4.350 -0.002 0.000 0.195 232 E C -0.495 176.142 176.600 0.062 0.000 1.028 232 E CA -0.259 56.176 56.400 0.058 0.000 0.899 232 E CB 0.561 30.288 29.700 0.046 0.000 1.032 232 E HN 0.222 nan 8.360 nan 0.000 0.468 233 V N 3.435 123.397 119.914 0.080 0.000 2.530 233 V HA 0.120 4.238 4.120 -0.002 0.000 0.282 233 V C -1.950 174.189 176.094 0.074 0.000 1.048 233 V CA -1.598 60.750 62.300 0.079 0.000 0.997 233 V CB 0.493 32.373 31.823 0.095 0.000 0.987 233 V HN 0.056 nan 8.190 nan 0.000 0.477 234 P HA 0.273 nan 4.420 nan 0.000 0.272 234 P C -0.817 176.515 177.300 0.053 0.000 1.240 234 P CA -0.342 62.789 63.100 0.052 0.000 0.791 234 P CB 0.513 32.242 31.700 0.048 0.000 0.978 235 L N 1.566 122.800 121.223 0.019 0.000 2.282 235 L HA 0.425 4.764 4.340 -0.002 0.000 0.288 235 L C 0.393 177.222 176.870 -0.069 0.000 1.033 235 L CA -1.012 53.823 54.840 -0.009 0.000 0.807 235 L CB 1.024 43.071 42.059 -0.020 0.000 1.209 235 L HN 0.300 nan 8.230 nan 0.000 0.423 236 I N 2.932 123.419 120.570 -0.139 0.000 2.519 236 I HA 0.200 4.369 4.170 -0.002 0.000 0.287 236 I C -0.234 175.750 176.117 -0.222 0.000 1.047 236 I CA 0.402 61.526 61.300 -0.292 0.000 1.381 236 I CB 0.774 38.361 38.000 -0.688 0.000 1.417 236 I HN 0.578 nan 8.210 nan 0.000 0.540 237 E N 7.062 127.147 120.200 -0.192 0.000 2.234 237 E HA 0.496 4.845 4.350 -0.002 0.000 0.266 237 E C -1.800 174.745 176.600 -0.092 0.000 0.877 237 E CA -0.573 55.714 56.400 -0.188 0.000 0.758 237 E CB 2.018 31.633 29.700 -0.141 0.000 1.170 237 E HN 0.565 nan 8.360 nan 0.000 0.415 238 Y N -1.686 118.529 120.300 -0.142 0.000 2.638 238 Y HA 0.554 5.103 4.550 -0.002 0.000 0.335 238 Y C -0.706 175.125 175.900 -0.115 0.000 1.155 238 Y CA -1.260 56.763 58.100 -0.129 0.000 1.046 238 Y CB 0.868 39.256 38.460 -0.120 0.000 1.303 238 Y HN 0.189 nan 8.280 nan 0.000 0.460 239 S N 1.751 117.449 115.700 -0.003 0.000 2.565 239 S HA 0.500 4.969 4.470 -0.002 0.000 0.274 239 S C -1.446 172.999 174.600 -0.259 0.000 1.309 239 S CA -0.418 57.633 58.200 -0.248 0.000 1.043 239 S CB 0.372 63.305 63.200 -0.445 0.000 0.939 239 S HN 0.534 nan 8.310 nan 0.000 0.504 240 F N 2.619 122.301 119.950 -0.446 0.000 2.477 240 F HA 0.432 4.958 4.527 -0.002 0.000 0.335 240 F C -0.300 175.257 175.800 -0.405 0.000 1.130 240 F CA -0.808 57.014 58.000 -0.298 0.000 0.948 240 F CB 0.788 39.743 39.000 -0.075 0.000 1.154 240 F HN 0.642 nan 8.300 nan 0.000 0.439 241 Y N 2.797 122.910 120.300 -0.312 0.000 2.448 241 Y HA 0.123 4.672 4.550 -0.002 0.000 0.289 241 Y C 1.714 177.541 175.900 -0.122 0.000 1.114 241 Y CA 1.054 59.050 58.100 -0.172 0.000 1.235 241 Y CB -0.689 37.663 38.460 -0.181 0.000 1.045 241 Y HN 0.747 nan 8.280 nan 0.000 0.554 242 S N -0.343 115.259 115.700 -0.163 0.000 3.443 242 S HA -0.225 4.244 4.470 -0.002 0.000 0.635 242 S C -0.417 174.218 174.600 0.058 0.000 2.555 242 S CA 0.312 58.556 58.200 0.075 0.000 2.778 242 S CB -1.157 62.190 63.200 0.245 0.000 0.331 242 S HN 0.450 nan 8.310 nan 0.000 1.765 243 D N 1.448 121.903 120.400 0.092 0.000 2.378 243 D HA 0.161 4.800 4.640 -0.002 0.000 0.238 243 D C 1.441 177.771 176.300 0.050 0.000 1.180 243 D CA 0.310 54.348 54.000 0.063 0.000 0.895 243 D CB 0.104 40.944 40.800 0.067 0.000 1.192 243 D HN 0.593 nan 8.370 nan 0.000 0.438 244 E N 0.109 120.329 120.200 0.032 0.000 2.187 244 E HA -0.226 4.123 4.350 -0.002 0.000 0.199 244 E C 1.604 178.219 176.600 0.025 0.000 1.004 244 E CA 1.403 57.815 56.400 0.020 0.000 0.813 244 E CB 0.127 29.834 29.700 0.011 0.000 0.736 244 E HN 0.452 nan 8.360 nan 0.000 0.468 245 S N 0.044 115.764 115.700 0.034 0.000 2.474 245 S HA -0.067 4.402 4.470 -0.002 0.000 0.235 245 S C 1.061 175.689 174.600 0.047 0.000 0.997 245 S CA 0.092 58.313 58.200 0.035 0.000 0.949 245 S CB -0.087 63.135 63.200 0.037 0.000 0.766 245 S HN 0.196 nan 8.310 nan 0.000 0.517 246 L N 2.311 123.570 121.223 0.060 0.000 2.369 246 L HA 0.170 4.509 4.340 -0.002 0.000 0.279 246 L C 1.597 178.508 176.870 0.069 0.000 1.108 246 L CA -0.121 54.768 54.840 0.081 0.000 0.852 246 L CB 1.147 43.267 42.059 0.102 0.000 1.169 246 L HN 0.369 nan 8.230 nan 0.000 0.452 247 Q N 4.174 124.025 119.800 0.085 0.000 2.046 247 Q HA -0.108 4.231 4.340 -0.002 0.000 0.200 247 Q C -0.644 175.297 176.000 -0.098 0.000 0.975 247 Q CA 1.418 57.229 55.803 0.014 0.000 0.836 247 Q CB 0.178 28.965 28.738 0.082 0.000 0.896 247 Q HN 0.586 nan 8.270 nan 0.000 0.428 248 Y N 0.546 120.861 120.300 0.024 0.000 2.352 248 Y HA 0.413 4.962 4.550 -0.002 0.000 0.339 248 Y C -2.083 173.830 175.900 0.022 0.000 0.992 248 Y CA -3.093 55.019 58.100 0.020 0.000 1.100 248 Y CB 1.286 39.749 38.460 0.005 0.000 1.192 248 Y HN 0.146 nan 8.280 nan 0.000 0.458 249 P HA 0.064 nan 4.420 nan 0.000 0.269 249 P C -0.662 176.653 177.300 0.024 0.000 1.215 249 P CA -0.500 62.629 63.100 0.049 0.000 0.780 249 P CB 0.754 32.439 31.700 -0.026 0.000 0.898 250 K N 0.932 121.328 120.400 -0.007 0.000 2.118 250 K HA 0.340 4.659 4.320 -0.002 0.000 0.267 250 K C -0.577 175.975 176.600 -0.081 0.000 0.991 250 K CA -0.310 55.970 56.287 -0.011 0.000 0.916 250 K CB 0.505 33.029 32.500 0.039 0.000 1.041 250 K HN 0.338 nan 8.250 nan 0.000 0.455 251 T N 2.892 117.384 114.554 -0.102 0.000 2.743 251 T HA 0.222 4.570 4.350 -0.002 0.000 0.292 251 T C -0.578 173.988 174.700 -0.223 0.000 0.972 251 T CA -0.605 61.398 62.100 -0.162 0.000 0.967 251 T CB 0.943 69.734 68.868 -0.128 0.000 0.926 251 T HN 0.244 nan 8.240 nan 0.000 0.459 252 V N 5.545 125.226 119.914 -0.388 0.000 2.546 252 V HA 0.436 4.555 4.120 -0.002 0.000 0.284 252 V C 0.404 176.226 176.094 -0.454 0.000 1.050 252 V CA -0.452 61.571 62.300 -0.461 0.000 0.981 252 V CB 0.938 32.320 31.823 -0.735 0.000 0.990 252 V HN 0.720 nan 8.190 nan 0.000 0.474 253 R N 3.362 123.726 120.500 -0.226 0.000 2.476 253 R HA 0.769 5.108 4.340 -0.002 0.000 0.305 253 R C -1.722 174.567 176.300 -0.019 0.000 0.965 253 R CA -0.542 55.475 56.100 -0.138 0.000 0.867 253 R CB 2.269 32.517 30.300 -0.087 0.000 1.176 253 R HN 0.506 nan 8.270 nan 0.000 0.447 254 V N 3.835 123.745 119.914 -0.007 0.000 2.686 254 V HA 0.370 4.489 4.120 -0.002 0.000 0.306 254 V C -2.464 173.673 176.094 0.073 0.000 1.065 254 V CA -2.339 60.019 62.300 0.097 0.000 0.894 254 V CB 2.479 34.341 31.823 0.064 0.000 1.004 254 V HN 0.624 nan 8.190 nan 0.000 0.424 255 P HA 0.251 nan 4.420 nan 0.000 0.271 255 P C -1.449 175.937 177.300 0.144 0.000 1.233 255 P CA 0.203 63.391 63.100 0.146 0.000 0.764 255 P CB -0.091 31.727 31.700 0.197 0.000 0.825 256 Y N 6.005 126.268 120.300 -0.063 0.000 2.298 256 Y HA 0.368 4.917 4.550 -0.002 0.000 0.322 256 Y C -2.818 173.043 175.900 -0.066 0.000 1.138 256 Y CA -2.735 55.280 58.100 -0.142 0.000 1.127 256 Y CB 1.797 40.063 38.460 -0.323 0.000 1.178 256 Y HN 0.283 nan 8.280 nan 0.000 0.428 257 P HA 0.276 nan 4.420 nan 0.000 0.286 257 P C -0.997 176.326 177.300 0.037 0.000 1.321 257 P CA -0.166 62.945 63.100 0.018 0.000 0.790 257 P CB 1.122 32.811 31.700 -0.018 0.000 0.897 258 K N 1.875 122.391 120.400 0.193 0.000 2.102 258 K HA 0.542 4.860 4.320 -0.002 0.000 0.244 258 K C 0.496 177.183 176.600 0.144 0.000 1.021 258 K CA -0.819 55.603 56.287 0.225 0.000 0.913 258 K CB 0.582 33.245 32.500 0.271 0.000 1.062 258 K HN 0.405 nan 8.250 nan 0.000 0.485 259 A N 0.851 123.782 122.820 0.185 0.000 2.561 259 A HA 0.285 4.604 4.320 -0.002 0.000 0.251 259 A C 1.165 178.788 177.584 0.065 0.000 1.062 259 A CA 0.954 53.094 52.037 0.173 0.000 0.761 259 A CB -1.339 17.861 19.000 0.332 0.000 0.986 259 A HN 0.906 nan 8.150 nan 0.000 0.510 260 G N 0.859 109.686 108.800 0.045 0.000 2.159 260 G HA2 0.131 4.090 3.960 -0.002 0.000 0.256 260 G HA3 0.131 4.090 3.960 -0.002 0.000 0.256 260 G C 0.579 175.485 174.900 0.011 0.000 0.977 260 G CA 0.684 45.784 45.100 -0.001 0.000 0.652 260 G HN 2.111 nan 8.290 nan 0.000 0.531 261 A N -0.678 122.164 122.820 0.036 0.000 2.239 261 A HA 0.816 5.134 4.320 -0.002 0.000 0.303 261 A C 0.773 178.375 177.584 0.031 0.000 1.114 261 A CA 0.157 52.217 52.037 0.037 0.000 0.871 261 A CB 0.812 19.849 19.000 0.062 0.000 1.201 261 A HN 1.138 nan 8.150 nan 0.000 0.506 262 V N 1.870 121.803 119.914 0.032 0.000 2.529 262 V HA 0.010 4.129 4.120 -0.002 0.000 0.292 262 V C 0.583 176.700 176.094 0.039 0.000 1.028 262 V CA 0.292 62.609 62.300 0.028 0.000 1.074 262 V CB -0.367 31.475 31.823 0.031 0.000 0.958 262 V HN 0.845 nan 8.190 nan 0.000 0.481 263 N N 6.025 124.744 118.700 0.032 0.000 2.463 263 N HA 0.407 5.146 4.740 -0.002 0.000 0.270 263 N C -2.410 173.148 175.510 0.081 0.000 1.205 263 N CA -1.260 51.825 53.050 0.058 0.000 0.974 263 N CB 1.099 39.614 38.487 0.047 0.000 1.197 263 N HN 0.478 nan 8.380 nan 0.000 0.504 264 P HA 0.039 nan 4.420 nan 0.000 0.272 264 P C -0.740 176.669 177.300 0.183 0.000 1.230 264 P CA -0.116 63.083 63.100 0.165 0.000 0.788 264 P CB 0.632 32.446 31.700 0.189 0.000 0.949 265 T N -1.662 112.988 114.554 0.160 0.000 2.948 265 T HA 0.604 4.953 4.350 -0.002 0.000 0.285 265 T C -0.276 174.533 174.700 0.181 0.000 1.019 265 T CA -0.873 61.298 62.100 0.118 0.000 1.013 265 T CB 1.511 70.421 68.868 0.071 0.000 1.117 265 T HN 0.356 nan 8.240 nan 0.000 0.533 266 V N 0.250 120.258 119.914 0.156 0.000 2.888 266 V HA 0.687 4.806 4.120 -0.002 0.000 0.309 266 V C -1.497 174.673 176.094 0.125 0.000 1.114 266 V CA -0.827 61.527 62.300 0.089 0.000 0.940 266 V CB 2.119 34.042 31.823 0.166 0.000 1.021 266 V HN 1.015 nan 8.190 nan 0.000 0.426 267 K N 4.278 124.689 120.400 0.019 0.000 2.395 267 K HA 0.621 4.940 4.320 -0.002 0.000 0.247 267 K C -1.886 174.647 176.600 -0.111 0.000 0.973 267 K CA -0.575 55.690 56.287 -0.037 0.000 0.828 267 K CB 2.706 35.163 32.500 -0.072 0.000 1.272 267 K HN 0.546 nan 8.250 nan 0.000 0.439 268 F N 2.134 121.802 119.950 -0.470 0.000 2.529 268 F HA 0.528 5.054 4.527 -0.002 0.000 0.320 268 F C -1.511 173.790 175.800 -0.832 0.000 1.118 268 F CA -0.668 57.048 58.000 -0.475 0.000 0.915 268 F CB 0.798 39.628 39.000 -0.284 0.000 1.161 268 F HN 0.354 nan 8.300 nan 0.000 0.445 269 F N 4.247 123.514 119.950 -1.139 0.000 2.588 269 F HA 0.758 5.284 4.527 -0.002 0.000 0.314 269 F C -0.918 174.281 175.800 -1.002 0.000 1.069 269 F CA -1.236 56.196 58.000 -0.947 0.000 0.931 269 F CB 2.062 40.377 39.000 -1.142 0.000 1.260 269 F HN 0.095 nan 8.300 nan 0.000 0.465 270 V N 2.626 122.352 119.914 -0.312 0.000 2.588 270 V HA 0.636 4.755 4.120 -0.002 0.000 0.304 270 V C -0.932 175.266 176.094 0.174 0.000 1.042 270 V CA -0.831 61.389 62.300 -0.134 0.000 0.877 270 V CB 1.909 33.563 31.823 -0.282 0.000 0.996 270 V HN 0.539 nan 8.190 nan 0.000 0.425 271 V N 3.193 123.259 119.914 0.254 0.000 2.495 271 V HA 0.453 4.572 4.120 -0.002 0.000 0.298 271 V C 0.055 176.350 176.094 0.336 0.000 1.031 271 V CA -0.851 61.618 62.300 0.282 0.000 0.871 271 V CB 1.981 33.917 31.823 0.188 0.000 0.988 271 V HN 0.853 nan 8.190 nan 0.000 0.432 272 N N 2.527 121.409 118.700 0.303 0.000 2.399 272 N HA 0.072 4.811 4.740 -0.002 0.000 0.259 272 N C 0.865 176.370 175.510 -0.007 0.000 1.160 272 N CA 0.331 53.430 53.050 0.081 0.000 0.946 272 N CB 1.465 39.981 38.487 0.049 0.000 1.156 272 N HN 0.726 nan 8.380 nan 0.000 0.489 273 T N 1.827 116.358 114.554 -0.037 0.000 3.148 273 T HA 0.038 4.387 4.350 -0.002 0.000 0.253 273 T C 0.450 175.106 174.700 -0.072 0.000 1.134 273 T CA 0.449 62.538 62.100 -0.020 0.000 1.051 273 T CB 0.121 69.072 68.868 0.139 0.000 0.959 273 T HN 0.454 nan 8.240 nan 0.000 0.525 274 D N 0.635 120.964 120.400 -0.118 0.000 2.367 274 D HA 0.073 4.712 4.640 -0.002 0.000 0.207 274 D C 1.293 177.536 176.300 -0.094 0.000 1.034 274 D CA 0.336 54.271 54.000 -0.108 0.000 0.861 274 D CB 0.379 41.100 40.800 -0.132 0.000 0.943 274 D HN 0.436 nan 8.370 nan 0.000 0.515 275 S N 0.129 115.775 115.700 -0.090 0.000 2.525 275 S HA 0.333 4.802 4.470 -0.002 0.000 0.242 275 S C 0.264 174.814 174.600 -0.084 0.000 1.164 275 S CA -0.603 57.562 58.200 -0.058 0.000 1.154 275 S CB -0.270 62.924 63.200 -0.009 0.000 0.875 275 S HN -0.038 nan 8.310 nan 0.000 0.482 276 L N 1.731 122.835 121.223 -0.198 0.000 2.375 276 L HA 0.774 5.113 4.340 -0.002 0.000 0.268 276 L C 0.360 177.102 176.870 -0.214 0.000 1.058 276 L CA -0.506 54.145 54.840 -0.314 0.000 0.803 276 L CB 1.698 43.279 42.059 -0.798 0.000 1.212 276 L HN 0.451 nan 8.230 nan 0.000 0.451 277 S N -1.110 114.589 115.700 -0.002 0.000 2.541 277 S HA 0.283 4.751 4.470 -0.002 0.000 0.271 277 S C 0.442 175.289 174.600 0.411 0.000 1.133 277 S CA -0.205 58.133 58.200 0.230 0.000 0.876 277 S CB 1.791 65.067 63.200 0.127 0.000 1.105 277 S HN 0.621 nan 8.310 nan 0.000 0.470 278 S N 2.508 118.430 115.700 0.371 0.000 2.423 278 S HA -0.043 4.425 4.470 -0.002 0.000 0.231 278 S C 1.600 176.288 174.600 0.148 0.000 1.014 278 S CA 1.101 59.418 58.200 0.194 0.000 0.965 278 S CB -0.514 62.724 63.200 0.063 0.000 0.785 278 S HN 0.578 nan 8.310 nan 0.000 0.495 279 V N 1.237 121.230 119.914 0.132 0.000 2.379 279 V HA 0.023 4.141 4.120 -0.002 0.000 0.243 279 V C 1.401 177.550 176.094 0.092 0.000 1.035 279 V CA 1.282 63.638 62.300 0.093 0.000 1.035 279 V CB -0.522 31.344 31.823 0.072 0.000 0.673 279 V HN 0.433 nan 8.190 nan 0.000 0.457 280 T N 0.592 115.206 114.554 0.101 0.000 2.918 280 T HA 0.272 4.621 4.350 -0.002 0.000 0.283 280 T C -0.007 174.763 174.700 0.116 0.000 1.001 280 T CA -0.380 61.770 62.100 0.083 0.000 1.041 280 T CB 0.678 69.586 68.868 0.067 0.000 1.028 280 T HN 0.206 nan 8.240 nan 0.000 0.511 281 N N 1.011 119.767 118.700 0.094 0.000 2.515 281 N HA 0.470 5.209 4.740 -0.002 0.000 0.279 281 N C -0.153 175.431 175.510 0.124 0.000 1.164 281 N CA -0.410 52.724 53.050 0.139 0.000 0.982 281 N CB 1.121 39.660 38.487 0.086 0.000 1.170 281 N HN 0.751 nan 8.380 nan 0.000 0.474 282 A N 0.843 123.752 122.820 0.149 0.000 2.498 282 A HA 0.164 4.482 4.320 -0.002 0.000 0.239 282 A C 0.151 177.795 177.584 0.100 0.000 1.068 282 A CA 0.305 52.401 52.037 0.099 0.000 0.766 282 A CB -0.167 18.873 19.000 0.068 0.000 1.003 282 A HN 0.522 nan 8.150 nan 0.000 0.497 283 T N 3.151 117.764 114.554 0.099 0.000 2.811 283 T HA 0.375 4.724 4.350 -0.002 0.000 0.309 283 T C 0.036 174.828 174.700 0.153 0.000 1.005 283 T CA 0.109 62.280 62.100 0.118 0.000 0.955 283 T CB 0.204 69.145 68.868 0.123 0.000 0.970 283 T HN 0.540 nan 8.240 nan 0.000 0.496 284 S N 4.185 119.975 115.700 0.150 0.000 2.438 284 S HA 0.441 4.910 4.470 -0.002 0.000 0.293 284 S C 0.165 174.909 174.600 0.240 0.000 1.141 284 S CA -0.809 57.502 58.200 0.186 0.000 1.080 284 S CB 0.428 63.701 63.200 0.121 0.000 0.978 284 S HN 0.484 nan 8.310 nan 0.000 0.479 285 I N 3.343 124.067 120.570 0.257 0.000 2.342 285 I HA 0.255 4.424 4.170 -0.002 0.000 0.291 285 I C 0.580 176.802 176.117 0.176 0.000 1.010 285 I CA -0.277 61.178 61.300 0.258 0.000 1.308 285 I CB 0.983 39.203 38.000 0.367 0.000 1.400 285 I HN 0.670 nan 8.210 nan 0.000 0.488 286 Q N 6.189 126.064 119.800 0.125 0.000 2.288 286 Q HA 0.453 4.792 4.340 -0.002 0.000 0.254 286 Q C -1.014 174.934 176.000 -0.088 0.000 0.932 286 Q CA -0.349 55.370 55.803 -0.141 0.000 0.902 286 Q CB 1.225 29.858 28.738 -0.174 0.000 1.203 286 Q HN 0.536 nan 8.270 nan 0.000 0.415 287 I N 4.139 124.634 120.570 -0.125 0.000 2.339 287 I HA 0.225 4.394 4.170 -0.002 0.000 0.290 287 I C 0.289 176.378 176.117 -0.047 0.000 0.994 287 I CA -0.733 60.553 61.300 -0.023 0.000 1.191 287 I CB 1.520 39.532 38.000 0.021 0.000 1.343 287 I HN 0.709 nan 8.210 nan 0.000 0.458 288 T N 2.891 117.397 114.554 -0.081 0.000 2.882 288 T HA 0.644 4.993 4.350 -0.002 0.000 0.287 288 T C 0.275 174.816 174.700 -0.265 0.000 1.014 288 T CA -0.808 61.202 62.100 -0.150 0.000 1.049 288 T CB 1.716 70.495 68.868 -0.148 0.000 1.001 288 T HN 0.613 nan 8.240 nan 0.000 0.525 289 A N 2.564 125.047 122.820 -0.561 0.000 2.332 289 A HA 0.615 4.934 4.320 -0.002 0.000 0.258 289 A C -2.205 174.918 177.584 -0.769 0.000 1.087 289 A CA -1.678 49.641 52.037 -1.196 0.000 0.802 289 A CB -0.832 16.924 19.000 -2.075 0.000 1.042 289 A HN 0.721 nan 8.150 nan 0.000 0.489 290 P HA 0.111 nan 4.420 nan 0.000 0.266 290 P C 0.797 177.871 177.300 -0.376 0.000 1.193 290 P CA 0.770 63.614 63.100 -0.426 0.000 0.770 290 P CB 0.535 32.026 31.700 -0.347 0.000 0.836 291 A N 2.599 125.276 122.820 -0.238 0.000 1.978 291 A HA -0.202 4.117 4.320 -0.002 0.000 0.220 291 A C 2.061 179.538 177.584 -0.179 0.000 1.170 291 A CA 2.294 54.218 52.037 -0.188 0.000 0.636 291 A CB -1.595 17.328 19.000 -0.127 0.000 0.810 291 A HN 0.624 nan 8.150 nan 0.000 0.448 292 S N -1.687 113.919 115.700 -0.155 0.000 2.555 292 S HA 0.036 4.505 4.470 -0.002 0.000 0.230 292 S C 1.627 176.141 174.600 -0.143 0.000 0.978 292 S CA 1.127 59.255 58.200 -0.121 0.000 0.934 292 S CB -0.190 62.994 63.200 -0.026 0.000 0.766 292 S HN 0.402 nan 8.310 nan 0.000 0.533 293 M N 0.053 119.501 119.600 -0.255 0.000 2.545 293 M HA 0.334 4.812 4.480 -0.002 0.000 0.264 293 M C 1.382 177.464 176.300 -0.364 0.000 1.155 293 M CA 0.416 55.512 55.300 -0.341 0.000 1.162 293 M CB -0.974 31.231 32.600 -0.659 0.000 1.330 293 M HN 0.323 nan 8.290 nan 0.000 0.479 294 L N 0.854 121.851 121.223 -0.375 0.000 2.353 294 L HA -0.062 4.277 4.340 -0.002 0.000 0.220 294 L C 2.135 178.956 176.870 -0.082 0.000 1.133 294 L CA 1.286 55.991 54.840 -0.225 0.000 0.798 294 L CB -0.989 40.937 42.059 -0.221 0.000 0.922 294 L HN 0.216 nan 8.230 nan 0.000 0.445 295 I N -1.341 119.175 120.570 -0.090 0.000 2.335 295 I HA -0.163 4.006 4.170 -0.002 0.000 0.251 295 I C 1.361 177.463 176.117 -0.025 0.000 1.129 295 I CA 1.074 62.338 61.300 -0.061 0.000 1.402 295 I CB -0.316 37.635 38.000 -0.083 0.000 1.069 295 I HN 0.382 nan 8.210 nan 0.000 0.424 296 G N -1.156 107.652 108.800 0.013 0.000 2.815 296 G HA2 0.239 4.198 3.960 -0.002 0.000 0.305 296 G HA3 0.239 4.198 3.960 -0.002 0.000 0.305 296 G C -1.597 173.334 174.900 0.052 0.000 1.277 296 G CA -0.497 44.612 45.100 0.015 0.000 0.795 296 G HN -0.170 nan 8.290 nan 0.000 0.528 297 D N 0.802 121.174 120.400 -0.048 0.000 2.424 297 D HA 0.486 5.124 4.640 -0.002 0.000 0.244 297 D C 0.160 176.346 176.300 -0.191 0.000 1.134 297 D CA 0.758 54.648 54.000 -0.182 0.000 0.881 297 D CB 0.905 41.593 40.800 -0.187 0.000 1.191 297 D HN 0.572 nan 8.370 nan 0.000 0.445 298 H N -1.243 117.700 119.070 -0.211 0.000 2.960 298 H HA 0.597 5.152 4.556 -0.002 0.000 0.323 298 H C -1.498 173.707 175.328 -0.206 0.000 1.326 298 H CA -0.957 54.978 56.048 -0.189 0.000 1.124 298 H CB 0.503 30.267 29.762 0.004 0.000 1.853 298 H HN 0.234 nan 8.280 nan 0.000 0.536 299 Y N -0.231 120.323 120.300 0.422 0.000 2.536 299 Y HA 0.338 4.887 4.550 -0.002 0.000 0.347 299 Y C -0.504 175.725 175.900 0.548 0.000 1.000 299 Y CA -1.293 57.063 58.100 0.427 0.000 1.051 299 Y CB 2.120 40.674 38.460 0.158 0.000 1.259 299 Y HN 0.618 nan 8.280 nan 0.000 0.468 300 L N 2.281 123.886 121.223 0.637 0.000 2.260 300 L HA 0.275 4.614 4.340 -0.002 0.000 0.289 300 L C -0.335 176.723 176.870 0.313 0.000 1.057 300 L CA -0.025 54.843 54.840 0.046 0.000 0.811 300 L CB 0.613 42.597 42.059 -0.125 0.000 1.184 300 L HN 0.975 nan 8.230 nan 0.000 0.429 301 C N 3.492 122.844 119.300 0.086 0.000 2.935 301 C HA 0.314 4.772 4.460 -0.002 0.000 0.308 301 C C 0.400 175.432 174.990 0.069 0.000 1.263 301 C CA -0.149 58.971 59.018 0.170 0.000 1.738 301 C CB -0.225 27.577 27.740 0.103 0.000 2.237 301 C HN 0.854 nan 8.230 nan 0.000 0.600 302 D N -0.501 119.782 120.400 -0.196 0.000 2.787 302 D HA 0.274 4.913 4.640 -0.002 0.000 0.215 302 D C -1.877 174.061 176.300 -0.603 0.000 1.246 302 D CA 0.118 53.918 54.000 -0.334 0.000 0.798 302 D CB 2.127 42.794 40.800 -0.222 0.000 1.649 302 D HN -0.058 nan 8.370 nan 0.000 0.507 303 V N 2.549 122.010 119.914 -0.755 0.000 2.483 303 V HA 0.556 4.675 4.120 -0.002 0.000 0.297 303 V C -0.334 175.320 176.094 -0.732 0.000 1.027 303 V CA -0.273 61.395 62.300 -1.054 0.000 0.855 303 V CB 1.937 32.591 31.823 -1.948 0.000 0.995 303 V HN 0.619 nan 8.190 nan 0.000 0.424 304 T N 3.803 117.995 114.554 -0.604 0.000 2.937 304 T HA 0.341 4.690 4.350 -0.002 0.000 0.297 304 T C -0.955 173.511 174.700 -0.389 0.000 0.991 304 T CA -0.416 61.487 62.100 -0.329 0.000 0.990 304 T CB 0.838 69.618 68.868 -0.146 0.000 0.991 304 T HN 0.533 nan 8.240 nan 0.000 0.440 305 W N 2.691 123.900 121.300 -0.152 0.000 2.446 305 W HA 0.464 5.123 4.660 -0.002 0.000 0.316 305 W C 1.171 177.555 176.519 -0.225 0.000 1.376 305 W CA -0.505 56.756 57.345 -0.141 0.000 1.300 305 W CB 0.418 29.885 29.460 0.012 0.000 1.351 305 W HN 0.895 nan 8.180 nan 0.000 0.530 306 A N 2.646 125.310 122.820 -0.260 0.000 1.887 306 A HA 0.091 4.410 4.320 -0.002 0.000 0.212 306 A C 1.171 178.718 177.584 -0.062 0.000 1.198 306 A CA 1.704 53.448 52.037 -0.488 0.000 0.628 306 A CB -0.406 17.932 19.000 -1.104 0.000 0.847 306 A HN 0.513 nan 8.150 nan 0.000 0.449 307 T N -5.669 108.931 114.554 0.076 0.000 2.626 307 T HA 0.351 4.700 4.350 -0.002 0.000 0.279 307 T C 0.296 175.161 174.700 0.275 0.000 0.983 307 T CA -0.397 61.800 62.100 0.162 0.000 1.059 307 T CB 0.630 69.579 68.868 0.135 0.000 1.396 307 T HN -0.013 nan 8.240 nan 0.000 0.519 308 Q N 0.379 120.311 119.800 0.221 0.000 2.364 308 Q HA 0.030 4.369 4.340 -0.002 0.000 0.209 308 Q C 0.807 177.033 176.000 0.377 0.000 0.977 308 Q CA 1.315 57.257 55.803 0.230 0.000 0.885 308 Q CB -0.042 28.795 28.738 0.164 0.000 0.941 308 Q HN 0.804 nan 8.270 nan 0.000 0.464 309 E N -0.303 120.122 120.200 0.375 0.000 2.789 309 E HA 0.179 4.528 4.350 -0.002 0.000 0.217 309 E C -0.138 176.712 176.600 0.415 0.000 0.970 309 E CA -0.167 56.459 56.400 0.377 0.000 1.201 309 E CB 1.115 30.962 29.700 0.244 0.000 1.069 309 E HN -0.030 nan 8.360 nan 0.000 0.499 310 R N 1.600 122.330 120.500 0.382 0.000 2.532 310 R HA 0.514 4.853 4.340 -0.002 0.000 0.297 310 R C -1.453 174.806 176.300 -0.068 0.000 0.984 310 R CA -0.383 55.824 56.100 0.177 0.000 0.884 310 R CB 1.072 31.396 30.300 0.040 0.000 1.182 310 R HN -0.068 nan 8.270 nan 0.000 0.442 311 I N 2.081 122.472 120.570 -0.299 0.000 2.509 311 I HA 0.305 4.474 4.170 -0.002 0.000 0.293 311 I C -0.261 175.517 176.117 -0.565 0.000 1.020 311 I CA -0.780 60.081 61.300 -0.732 0.000 1.088 311 I CB 2.211 39.504 38.000 -1.178 0.000 1.267 311 I HN 0.472 nan 8.210 nan 0.000 0.430 312 S N 6.815 122.154 115.700 -0.602 0.000 2.451 312 S HA 0.726 5.195 4.470 -0.002 0.000 0.301 312 S C -0.820 173.441 174.600 -0.565 0.000 1.116 312 S CA -0.537 57.403 58.200 -0.433 0.000 1.093 312 S CB 0.495 63.548 63.200 -0.245 0.000 1.017 312 S HN 0.465 nan 8.310 nan 0.000 0.482 313 L N 4.705 125.616 121.223 -0.520 0.000 2.349 313 L HA 0.509 4.848 4.340 -0.002 0.000 0.278 313 L C -0.068 176.483 176.870 -0.532 0.000 0.996 313 L CA -0.569 53.844 54.840 -0.712 0.000 0.825 313 L CB 1.869 43.429 42.059 -0.831 0.000 1.243 313 L HN 0.565 nan 8.230 nan 0.000 0.412 314 Q N 2.183 121.652 119.800 -0.552 0.000 2.257 314 Q HA 0.393 4.732 4.340 -0.002 0.000 0.255 314 Q C -1.608 174.168 176.000 -0.374 0.000 0.920 314 Q CA -0.430 55.180 55.803 -0.321 0.000 0.927 314 Q CB 2.096 30.704 28.738 -0.217 0.000 1.229 314 Q HN 0.444 nan 8.270 nan 0.000 0.433 315 W N 2.554 123.817 121.300 -0.062 0.000 2.799 315 W HA 0.671 5.330 4.660 -0.002 0.000 0.349 315 W C -0.800 175.763 176.519 0.074 0.000 1.100 315 W CA -0.519 56.843 57.345 0.027 0.000 1.174 315 W CB 1.269 30.715 29.460 -0.023 0.000 1.427 315 W HN 0.329 nan 8.180 nan 0.000 0.547 316 L N 2.081 123.568 121.223 0.441 0.000 2.455 316 L HA 0.532 4.871 4.340 -0.002 0.000 0.264 316 L C -0.156 176.915 176.870 0.336 0.000 0.968 316 L CA -1.115 53.929 54.840 0.340 0.000 0.827 316 L CB 1.892 44.160 42.059 0.348 0.000 1.317 316 L HN 0.473 nan 8.230 nan 0.000 0.407 317 R N 2.006 122.662 120.500 0.259 0.000 2.594 317 R HA 0.176 4.515 4.340 -0.002 0.000 0.272 317 R C 0.936 177.300 176.300 0.107 0.000 1.074 317 R CA -0.209 55.991 56.100 0.167 0.000 1.105 317 R CB 1.000 31.387 30.300 0.144 0.000 1.008 317 R HN 0.594 nan 8.270 nan 0.000 0.472 318 R N 2.113 122.585 120.500 -0.047 0.000 2.117 318 R HA -0.110 4.229 4.340 -0.002 0.000 0.243 318 R C 0.405 176.747 176.300 0.070 0.000 1.143 318 R CA 1.322 57.384 56.100 -0.063 0.000 0.968 318 R CB -0.066 30.141 30.300 -0.156 0.000 0.863 318 R HN 0.526 nan 8.270 nan 0.000 0.444 319 I N 2.734 123.335 120.570 0.052 0.000 2.372 319 I HA -0.033 4.136 4.170 -0.002 0.000 0.298 319 I C 0.241 176.419 176.117 0.102 0.000 1.137 319 I CA 0.363 61.702 61.300 0.064 0.000 1.314 319 I CB 0.972 38.998 38.000 0.044 0.000 1.444 319 I HN 0.261 nan 8.210 nan 0.000 0.541 320 Q N 5.098 124.960 119.800 0.103 0.000 2.516 320 Q HA -0.052 4.287 4.340 -0.002 0.000 0.245 320 Q C 0.670 176.750 176.000 0.134 0.000 0.958 320 Q CA -0.013 55.867 55.803 0.128 0.000 0.959 320 Q CB -0.396 28.387 28.738 0.074 0.000 1.403 320 Q HN 0.672 nan 8.270 nan 0.000 0.405 321 N N -0.788 117.996 118.700 0.140 0.000 2.184 321 N HA -0.044 4.695 4.740 -0.002 0.000 0.206 321 N C -0.933 174.698 175.510 0.203 0.000 1.151 321 N CA -0.131 53.000 53.050 0.135 0.000 0.878 321 N CB 0.416 38.964 38.487 0.102 0.000 1.014 321 N HN 0.227 nan 8.380 nan 0.000 0.512 322 Y N 1.061 121.394 120.300 0.055 0.000 2.358 322 Y HA 0.519 5.067 4.550 -0.002 0.000 0.324 322 Y C -1.345 174.597 175.900 0.070 0.000 1.123 322 Y CA -0.899 57.230 58.100 0.048 0.000 1.067 322 Y CB 1.469 39.947 38.460 0.030 0.000 1.230 322 Y HN 0.144 nan 8.280 nan 0.000 0.429 323 S N 3.953 119.571 115.700 -0.138 0.000 2.570 323 S HA 0.911 5.380 4.470 -0.002 0.000 0.286 323 S C -1.749 172.763 174.600 -0.146 0.000 1.099 323 S CA -0.864 57.317 58.200 -0.032 0.000 0.913 323 S CB 2.117 65.323 63.200 0.010 0.000 1.085 323 S HN 0.438 nan 8.310 nan 0.000 0.480 324 V N 2.683 122.601 119.914 0.006 0.000 2.577 324 V HA 0.470 4.588 4.120 -0.002 0.000 0.303 324 V C -0.651 175.478 176.094 0.058 0.000 1.042 324 V CA -0.577 61.719 62.300 -0.007 0.000 0.872 324 V CB 1.836 33.676 31.823 0.028 0.000 0.998 324 V HN 1.019 nan 8.190 nan 0.000 0.423 325 M N 3.703 123.294 119.600 -0.014 0.000 2.080 325 M HA 0.433 4.911 4.480 -0.002 0.000 0.350 325 M C -0.957 175.337 176.300 -0.011 0.000 1.173 325 M CA -0.348 54.920 55.300 -0.054 0.000 1.052 325 M CB 0.776 33.282 32.600 -0.157 0.000 1.577 325 M HN 0.657 nan 8.290 nan 0.000 0.455 326 D N 4.255 124.654 120.400 -0.002 0.000 2.168 326 D HA 0.499 5.138 4.640 -0.002 0.000 0.246 326 D C -1.037 175.223 176.300 -0.066 0.000 1.050 326 D CA -0.025 53.968 54.000 -0.011 0.000 0.857 326 D CB 1.306 42.129 40.800 0.037 0.000 1.169 326 D HN 0.482 nan 8.370 nan 0.000 0.453 327 I N 3.114 123.666 120.570 -0.031 0.000 2.355 327 I HA 0.312 4.481 4.170 -0.002 0.000 0.288 327 I C -0.714 175.388 176.117 -0.024 0.000 0.999 327 I CA -0.565 60.715 61.300 -0.033 0.000 1.163 327 I CB 1.091 39.126 38.000 0.057 0.000 1.316 327 I HN 0.266 nan 8.210 nan 0.000 0.454 328 c N 4.351 122.921 118.600 -0.050 0.000 2.417 328 c HA 0.556 5.125 4.570 -0.002 0.000 0.324 328 c C -0.505 173.724 174.090 0.232 0.000 1.240 328 c CA -0.749 55.617 56.329 0.063 0.000 1.632 328 c CB 1.168 43.678 42.510 0.000 0.000 2.241 328 c HN 0.583 nan 8.230 nan 0.000 0.499 329 D N 0.518 121.075 120.400 0.261 0.000 2.481 329 D HA 0.260 4.899 4.640 -0.002 0.000 0.244 329 D C -0.845 175.419 176.300 -0.061 0.000 1.057 329 D CA -0.278 53.835 54.000 0.189 0.000 0.848 329 D CB 1.421 42.260 40.800 0.065 0.000 1.388 329 D HN 0.577 nan 8.370 nan 0.000 0.475 330 Y N 1.594 121.480 120.300 -0.690 0.000 2.402 330 Y HA 0.146 4.695 4.550 -0.002 0.000 0.333 330 Y C 0.001 175.595 175.900 -0.511 0.000 1.076 330 Y CA -0.169 57.206 58.100 -1.207 0.000 1.299 330 Y CB 0.644 38.335 38.460 -1.281 0.000 1.197 330 Y HN 0.129 nan 8.280 nan 0.000 0.517 331 D N 5.815 125.674 120.400 -0.901 0.000 2.396 331 D HA 0.059 4.698 4.640 -0.002 0.000 0.225 331 D C 0.822 176.594 176.300 -0.880 0.000 1.121 331 D CA 0.023 53.640 54.000 -0.638 0.000 0.853 331 D CB 0.774 41.339 40.800 -0.391 0.000 1.043 331 D HN 0.907 nan 8.370 nan 0.000 0.500 332 E N 1.995 121.830 120.200 -0.608 0.000 2.130 332 E HA -0.240 4.109 4.350 -0.002 0.000 0.196 332 E C 1.508 177.951 176.600 -0.262 0.000 0.998 332 E CA 1.508 57.669 56.400 -0.397 0.000 0.806 332 E CB 0.371 30.017 29.700 -0.091 0.000 0.738 332 E HN 0.548 nan 8.360 nan 0.000 0.459 333 S N -0.644 114.929 115.700 -0.211 0.000 2.341 333 S HA -0.090 4.378 4.470 -0.002 0.000 0.216 333 S C 2.188 176.707 174.600 -0.134 0.000 1.034 333 S CA 1.211 59.337 58.200 -0.124 0.000 0.964 333 S CB -0.204 62.944 63.200 -0.087 0.000 0.882 333 S HN 0.170 nan 8.310 nan 0.000 0.469 334 S N 0.929 116.525 115.700 -0.173 0.000 2.387 334 S HA 0.062 4.531 4.470 -0.002 0.000 0.230 334 S C 1.695 176.213 174.600 -0.137 0.000 1.035 334 S CA 1.924 60.040 58.200 -0.140 0.000 1.014 334 S CB -1.365 61.742 63.200 -0.154 0.000 0.836 334 S HN 1.719 nan 8.310 nan 0.000 0.466 335 G N 0.619 109.257 108.800 -0.270 0.000 2.184 335 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.264 335 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.264 335 G C 0.291 175.132 174.900 -0.099 0.000 0.975 335 G CA 0.543 45.548 45.100 -0.158 0.000 0.642 335 G HN 0.580 nan 8.290 nan 0.000 0.536 336 R N -1.718 118.640 120.500 -0.236 0.000 2.730 336 R HA 0.694 5.033 4.340 -0.002 0.000 0.228 336 R C -0.714 175.422 176.300 -0.273 0.000 1.312 336 R CA -0.594 55.458 56.100 -0.080 0.000 1.093 336 R CB 0.647 30.939 30.300 -0.013 0.000 1.583 336 R HN 0.173 nan 8.270 nan 0.000 0.535 337 W N -0.002 121.317 121.300 0.032 0.000 2.839 337 W HA 0.411 5.069 4.660 -0.002 0.000 0.334 337 W C -0.542 175.967 176.519 -0.017 0.000 1.064 337 W CA -0.470 56.887 57.345 0.020 0.000 1.236 337 W CB 1.411 30.883 29.460 0.021 0.000 1.405 337 W HN 0.234 nan 8.180 nan 0.000 0.478 338 N N 2.173 120.975 118.700 0.170 0.000 2.258 338 N HA 0.520 5.258 4.740 -0.002 0.000 0.299 338 N C -1.673 173.881 175.510 0.073 0.000 1.047 338 N CA -0.478 52.621 53.050 0.082 0.000 0.814 338 N CB 2.106 40.601 38.487 0.014 0.000 1.413 338 N HN 0.252 nan 8.380 nan 0.000 0.478 339 c N 2.622 121.242 118.600 0.035 0.000 2.335 339 c HA 0.325 4.893 4.570 -0.002 0.000 0.318 339 c C 0.186 174.270 174.090 -0.011 0.000 1.150 339 c CA -0.804 55.531 56.329 0.010 0.000 1.466 339 c CB -0.619 41.884 42.510 -0.012 0.000 2.024 339 c HN 0.545 nan 8.230 nan 0.000 0.429 340 L N 3.950 125.168 121.223 -0.007 0.000 2.433 340 L HA 0.121 4.460 4.340 -0.002 0.000 0.275 340 L C 1.322 178.172 176.870 -0.033 0.000 1.128 340 L CA 0.474 55.303 54.840 -0.018 0.000 0.875 340 L CB 0.900 42.953 42.059 -0.011 0.000 1.171 340 L HN 0.681 nan 8.230 nan 0.000 0.463 341 V N 4.376 124.265 119.914 -0.041 0.000 2.828 341 V HA -0.266 3.853 4.120 -0.002 0.000 0.260 341 V C 2.032 178.091 176.094 -0.058 0.000 1.101 341 V CA 1.657 63.926 62.300 -0.052 0.000 1.123 341 V CB -1.400 30.392 31.823 -0.051 0.000 0.704 341 V HN 0.930 nan 8.190 nan 0.000 0.493 342 A N 1.227 124.015 122.820 -0.054 0.000 2.081 342 A HA -0.005 4.314 4.320 -0.002 0.000 0.214 342 A C 2.202 179.729 177.584 -0.094 0.000 1.158 342 A CA 0.486 52.483 52.037 -0.067 0.000 0.724 342 A CB -0.178 18.793 19.000 -0.048 0.000 0.826 342 A HN 0.584 nan 8.150 nan 0.000 0.463 343 R N 0.497 120.954 120.500 -0.071 0.000 2.320 343 R HA 0.112 4.451 4.340 -0.002 0.000 0.211 343 R C -0.403 175.802 176.300 -0.158 0.000 0.931 343 R CA -0.129 55.917 56.100 -0.091 0.000 1.071 343 R CB -0.599 29.716 30.300 0.026 0.000 1.025 343 R HN 0.519 nan 8.270 nan 0.000 0.495 344 Q N 1.746 121.459 119.800 -0.144 0.000 2.286 344 Q HA -0.002 4.337 4.340 -0.002 0.000 0.290 344 Q C -0.908 174.953 176.000 -0.233 0.000 1.049 344 Q CA 0.773 56.505 55.803 -0.119 0.000 0.923 344 Q CB 0.436 29.124 28.738 -0.084 0.000 1.183 344 Q HN 0.338 nan 8.270 nan 0.000 0.383 345 H N 1.631 120.674 119.070 -0.045 0.000 2.457 345 H HA 0.465 5.019 4.556 -0.002 0.000 0.335 345 H C -0.517 174.747 175.328 -0.107 0.000 1.115 345 H CA -0.444 55.569 56.048 -0.059 0.000 1.219 345 H CB 1.061 30.769 29.762 -0.091 0.000 1.471 345 H HN 0.455 nan 8.280 nan 0.000 0.491 346 I N 2.360 122.935 120.570 0.008 0.000 2.530 346 I HA 0.294 4.463 4.170 -0.002 0.000 0.297 346 I C -0.422 175.623 176.117 -0.119 0.000 1.011 346 I CA -0.521 60.691 61.300 -0.146 0.000 1.107 346 I CB 1.853 39.746 38.000 -0.179 0.000 1.285 346 I HN 0.541 nan 8.210 nan 0.000 0.436 347 E N 6.686 126.758 120.200 -0.214 0.000 2.272 347 E HA 0.649 4.998 4.350 -0.002 0.000 0.269 347 E C -1.387 175.122 176.600 -0.153 0.000 0.877 347 E CA -0.760 55.572 56.400 -0.114 0.000 0.755 347 E CB 2.825 32.492 29.700 -0.056 0.000 1.192 347 E HN 0.437 nan 8.360 nan 0.000 0.422 348 M N 1.295 120.863 119.600 -0.054 0.000 2.446 348 M HA 0.385 4.864 4.480 -0.002 0.000 0.294 348 M C -0.637 175.673 176.300 0.018 0.000 1.158 348 M CA -0.879 54.426 55.300 0.008 0.000 0.899 348 M CB 2.484 35.122 32.600 0.063 0.000 1.687 348 M HN 0.334 nan 8.290 nan 0.000 0.455 349 S N -0.047 115.662 115.700 0.016 0.000 2.537 349 S HA 0.509 4.978 4.470 -0.002 0.000 0.301 349 S C 0.237 174.824 174.600 -0.022 0.000 1.092 349 S CA -0.347 57.839 58.200 -0.023 0.000 1.048 349 S CB 1.879 65.024 63.200 -0.092 0.000 1.053 349 S HN 0.755 nan 8.310 nan 0.000 0.501 350 T N 1.647 116.185 114.554 -0.028 0.000 3.004 350 T HA 0.037 4.386 4.350 -0.002 0.000 0.243 350 T C 1.774 176.440 174.700 -0.056 0.000 1.020 350 T CA 1.457 63.544 62.100 -0.021 0.000 1.145 350 T CB -0.437 68.429 68.868 -0.004 0.000 0.876 350 T HN 0.859 nan 8.240 nan 0.000 0.449 351 T N -1.043 113.466 114.554 -0.076 0.000 3.148 351 T HA 0.495 4.843 4.350 -0.002 0.000 0.253 351 T C 1.042 175.510 174.700 -0.388 0.000 1.134 351 T CA 0.622 62.662 62.100 -0.100 0.000 1.051 351 T CB 0.311 69.219 68.868 0.066 0.000 0.959 351 T HN 0.438 nan 8.240 nan 0.000 0.525 352 G N 0.443 108.895 108.800 -0.579 0.000 2.725 352 G HA2 0.445 4.404 3.960 -0.002 0.000 0.098 352 G HA3 0.445 4.404 3.960 -0.002 0.000 0.098 352 G C -1.584 173.120 174.900 -0.328 0.000 1.188 352 G CA -0.420 44.250 45.100 -0.716 0.000 1.237 352 G HN 0.506 nan 8.290 nan 0.000 0.596 353 W N -0.216 120.872 121.300 -0.354 0.000 2.941 353 W HA 0.808 5.467 4.660 -0.002 0.000 0.352 353 W C -0.572 175.903 176.519 -0.072 0.000 1.368 353 W CA -1.355 55.891 57.345 -0.164 0.000 1.232 353 W CB 0.811 30.159 29.460 -0.187 0.000 1.586 353 W HN 0.305 nan 8.180 nan 0.000 0.649 354 V N 2.893 122.921 119.914 0.191 0.000 2.350 354 V HA 0.691 4.810 4.120 -0.002 0.000 0.276 354 V C 0.755 176.939 176.094 0.151 0.000 1.028 354 V CA 0.409 62.766 62.300 0.095 0.000 0.860 354 V CB -0.086 31.790 31.823 0.089 0.000 0.990 354 V HN 1.307 nan 8.190 nan 0.000 0.453 355 G N 5.589 114.428 108.800 0.066 0.000 2.681 355 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.220 355 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.220 355 G C 0.294 175.270 174.900 0.126 0.000 1.353 355 G CA 0.432 45.584 45.100 0.086 0.000 0.872 355 G HN 0.609 nan 8.290 nan 0.000 0.557 356 R N -1.538 119.021 120.500 0.098 0.000 2.033 356 R HA 0.347 4.686 4.340 -0.002 0.000 0.219 356 R C 2.185 178.404 176.300 -0.135 0.000 1.223 356 R CA 1.678 57.757 56.100 -0.035 0.000 0.971 356 R CB -0.168 30.059 30.300 -0.121 0.000 0.855 356 R HN 0.385 nan 8.270 nan 0.000 0.452 357 F N 0.228 120.319 119.950 0.236 0.000 2.678 357 F HA 0.293 4.819 4.527 -0.002 0.000 0.305 357 F C 0.180 176.033 175.800 0.088 0.000 1.090 357 F CA -0.275 57.826 58.000 0.168 0.000 1.272 357 F CB 0.577 39.686 39.000 0.183 0.000 1.060 357 F HN 0.005 nan 8.300 nan 0.000 0.576 358 R N -2.323 118.317 120.500 0.234 0.000 2.829 358 R HA 0.361 4.700 4.340 -0.002 0.000 0.283 358 R C -3.359 173.021 176.300 0.133 0.000 1.013 358 R CA -1.884 54.304 56.100 0.148 0.000 0.848 358 R CB -0.248 30.132 30.300 0.134 0.000 1.291 358 R HN -0.377 nan 8.270 nan 0.000 0.496 359 P HA -0.001 nan 4.420 nan 0.000 0.265 359 P C -0.359 176.980 177.300 0.065 0.000 1.193 359 P CA 0.059 63.198 63.100 0.065 0.000 0.765 359 P CB 0.732 32.450 31.700 0.031 0.000 0.823 360 S N 1.510 117.250 115.700 0.067 0.000 2.579 360 S HA 0.068 4.537 4.470 -0.002 0.000 0.275 360 S C 0.129 174.761 174.600 0.053 0.000 1.345 360 S CA -0.717 57.537 58.200 0.089 0.000 1.031 360 S CB 0.438 63.700 63.200 0.104 0.000 0.892 360 S HN 0.558 nan 8.310 nan 0.000 0.529 361 E N 2.272 122.528 120.200 0.094 0.000 2.338 361 E HA 0.274 4.623 4.350 -0.002 0.000 0.272 361 E C -2.413 174.224 176.600 0.060 0.000 1.029 361 E CA -2.261 54.158 56.400 0.031 0.000 0.872 361 E CB 0.501 30.229 29.700 0.047 0.000 1.015 361 E HN 0.445 nan 8.360 nan 0.000 0.417 362 P HA 0.187 nan 4.420 nan 0.000 0.285 362 P C -1.421 175.789 177.300 -0.151 0.000 1.259 362 P CA -0.269 62.710 63.100 -0.202 0.000 0.794 362 P CB 0.669 31.942 31.700 -0.712 0.000 0.940 363 H N 1.896 120.970 119.070 0.006 0.000 2.718 363 H HA 0.403 4.958 4.556 -0.002 0.000 0.295 363 H C -0.461 174.996 175.328 0.215 0.000 1.051 363 H CA -0.236 55.904 56.048 0.153 0.000 1.260 363 H CB -0.127 29.743 29.762 0.180 0.000 1.403 363 H HN 0.240 nan 8.280 nan 0.000 0.488 364 F N 1.628 121.748 119.950 0.284 0.000 2.412 364 F HA 0.178 4.704 4.527 -0.002 0.000 0.348 364 F C 1.280 177.262 175.800 0.303 0.000 1.102 364 F CA -0.651 57.528 58.000 0.299 0.000 1.196 364 F CB 0.943 40.048 39.000 0.174 0.000 1.144 364 F HN 0.410 nan 8.300 nan 0.000 0.541 365 T N 0.879 115.731 114.554 0.496 0.000 2.802 365 T HA 0.109 4.457 4.350 -0.002 0.000 0.305 365 T C 1.408 176.302 174.700 0.324 0.000 1.053 365 T CA -0.725 61.610 62.100 0.392 0.000 1.058 365 T CB 0.647 69.736 68.868 0.368 0.000 0.988 365 T HN 0.633 nan 8.240 nan 0.000 0.539 366 L N 1.002 122.370 121.223 0.241 0.000 2.129 366 L HA -0.141 4.198 4.340 -0.002 0.000 0.212 366 L C 2.339 179.315 176.870 0.176 0.000 1.087 366 L CA 2.073 57.028 54.840 0.191 0.000 0.757 366 L CB -0.617 41.531 42.059 0.148 0.000 0.896 366 L HN 0.867 nan 8.230 nan 0.000 0.434 367 D N -1.413 119.095 120.400 0.180 0.000 2.347 367 D HA -0.016 4.623 4.640 -0.002 0.000 0.213 367 D C 1.498 177.899 176.300 0.169 0.000 0.985 367 D CA 0.884 54.977 54.000 0.155 0.000 0.879 367 D CB -0.129 40.753 40.800 0.137 0.000 0.919 367 D HN 0.262 nan 8.370 nan 0.000 0.526 368 G N 0.319 109.257 108.800 0.230 0.000 2.159 368 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.256 368 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.256 368 G C 0.835 175.927 174.900 0.319 0.000 0.977 368 G CA 0.275 45.527 45.100 0.253 0.000 0.652 368 G HN 0.342 nan 8.290 nan 0.000 0.531 369 N N 0.276 119.137 118.700 0.268 0.000 2.280 369 N HA 0.244 4.983 4.740 -0.002 0.000 0.192 369 N C 0.750 176.373 175.510 0.189 0.000 1.109 369 N CA 1.069 54.245 53.050 0.210 0.000 0.855 369 N CB 0.649 39.220 38.487 0.139 0.000 0.974 369 N HN 0.984 nan 8.380 nan 0.000 0.482 370 S N -0.373 115.472 115.700 0.241 0.000 2.588 370 S HA 0.745 5.214 4.470 -0.002 0.000 0.269 370 S C -1.080 173.575 174.600 0.091 0.000 1.157 370 S CA -0.999 57.206 58.200 0.009 0.000 0.824 370 S CB 1.546 64.682 63.200 -0.106 0.000 1.126 370 S HN 0.108 nan 8.310 nan 0.000 0.464 371 F N -1.557 118.200 119.950 -0.322 0.000 2.668 371 F HA 0.859 5.385 4.527 -0.002 0.000 0.309 371 F C -2.179 173.444 175.800 -0.295 0.000 1.117 371 F CA -1.452 56.326 58.000 -0.369 0.000 0.951 371 F CB 0.575 38.972 39.000 -1.005 0.000 1.323 371 F HN 0.613 nan 8.300 nan 0.000 0.451 372 Y N 1.049 121.478 120.300 0.214 0.000 2.509 372 Y HA 0.759 5.308 4.550 -0.002 0.000 0.341 372 Y C -0.260 175.789 175.900 0.248 0.000 1.038 372 Y CA -1.125 57.087 58.100 0.185 0.000 1.089 372 Y CB 2.223 40.747 38.460 0.107 0.000 1.241 372 Y HN 0.814 nan 8.280 nan 0.000 0.468 373 K N 1.831 122.438 120.400 0.344 0.000 2.598 373 K HA 0.486 4.805 4.320 -0.002 0.000 0.271 373 K C -2.019 174.702 176.600 0.200 0.000 0.947 373 K CA -0.563 55.887 56.287 0.271 0.000 0.854 373 K CB 1.693 34.343 32.500 0.251 0.000 1.401 373 K HN 0.739 nan 8.250 nan 0.000 0.415 374 I N 4.466 125.126 120.570 0.149 0.000 2.441 374 I HA 0.275 4.444 4.170 -0.002 0.000 0.287 374 I C -0.197 175.999 176.117 0.132 0.000 1.049 374 I CA -0.456 60.915 61.300 0.117 0.000 1.381 374 I CB 0.717 38.767 38.000 0.084 0.000 1.409 374 I HN 0.357 nan 8.210 nan 0.000 0.523 375 I N 4.814 125.485 120.570 0.168 0.000 2.656 375 I HA 0.133 4.302 4.170 -0.002 0.000 0.292 375 I C 0.024 176.262 176.117 0.202 0.000 1.144 375 I CA -0.485 60.927 61.300 0.188 0.000 1.038 375 I CB 1.980 40.112 38.000 0.219 0.000 1.244 375 I HN 0.414 nan 8.210 nan 0.000 0.420 376 S N 6.015 121.771 115.700 0.093 0.000 2.525 376 S HA 0.123 4.592 4.470 -0.002 0.000 0.285 376 S C 0.436 175.078 174.600 0.070 0.000 1.283 376 S CA -0.226 57.979 58.200 0.008 0.000 1.072 376 S CB -0.130 63.029 63.200 -0.067 0.000 0.867 376 S HN 0.793 nan 8.310 nan 0.000 0.492 377 N N 2.765 121.421 118.700 -0.074 0.000 2.431 377 N HA 0.150 4.889 4.740 -0.002 0.000 0.289 377 N C 0.874 176.307 175.510 -0.129 0.000 1.277 377 N CA -0.650 52.246 53.050 -0.255 0.000 0.972 377 N CB 0.193 38.162 38.487 -0.862 0.000 1.143 377 N HN 0.776 nan 8.380 nan 0.000 0.578 378 E N -0.440 119.673 120.200 -0.145 0.000 2.418 378 E HA -0.150 4.199 4.350 -0.002 0.000 0.197 378 E C 0.357 176.917 176.600 -0.067 0.000 1.026 378 E CA 0.899 57.257 56.400 -0.069 0.000 0.862 378 E CB 0.075 29.748 29.700 -0.045 0.000 0.799 378 E HN 0.599 nan 8.360 nan 0.000 0.518 379 E N -0.530 119.632 120.200 -0.064 0.000 2.474 379 E HA 0.192 4.541 4.350 -0.002 0.000 0.195 379 E C 0.735 177.319 176.600 -0.027 0.000 1.039 379 E CA 0.570 56.976 56.400 0.010 0.000 0.881 379 E CB 1.084 30.840 29.700 0.093 0.000 0.970 379 E HN 0.393 nan 8.360 nan 0.000 0.486 380 G N 0.249 108.975 108.800 -0.124 0.000 2.132 380 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.234 380 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.234 380 G C -0.573 174.017 174.900 -0.517 0.000 0.989 380 G CA -0.286 44.627 45.100 -0.312 0.000 0.676 380 G HN 0.219 nan 8.290 nan 0.000 0.522 381 Y N -0.160 120.011 120.300 -0.214 0.000 2.352 381 Y HA 0.653 5.201 4.550 -0.002 0.000 0.339 381 Y C 1.010 176.728 175.900 -0.302 0.000 0.992 381 Y CA -1.055 56.889 58.100 -0.259 0.000 1.100 381 Y CB 1.214 39.524 38.460 -0.251 0.000 1.192 381 Y HN 0.082 nan 8.280 nan 0.000 0.458 382 R N 3.708 124.055 120.500 -0.255 0.000 2.288 382 R HA 0.249 4.588 4.340 -0.002 0.000 0.330 382 R C -0.716 175.288 176.300 -0.494 0.000 1.069 382 R CA 0.020 55.977 56.100 -0.238 0.000 0.941 382 R CB -0.004 30.210 30.300 -0.144 0.000 0.998 382 R HN 0.653 nan 8.270 nan 0.000 0.452 383 H N 1.753 120.790 119.070 -0.054 0.000 2.908 383 H HA 0.368 4.923 4.556 -0.002 0.000 0.350 383 H C -0.161 175.214 175.328 0.078 0.000 1.217 383 H CA -0.953 55.042 56.048 -0.088 0.000 1.168 383 H CB 1.608 31.223 29.762 -0.246 0.000 1.891 383 H HN 0.307 nan 8.280 nan 0.000 0.566 384 I N 1.120 121.772 120.570 0.137 0.000 2.371 384 I HA 0.094 4.263 4.170 -0.002 0.000 0.290 384 I C 0.272 176.418 176.117 0.049 0.000 1.028 384 I CA 0.001 61.334 61.300 0.054 0.000 1.345 384 I CB 0.579 38.523 38.000 -0.094 0.000 1.407 384 I HN 0.154 nan 8.210 nan 0.000 0.501 385 c N 6.602 125.159 118.600 -0.072 0.000 2.435 385 c HA 0.493 5.062 4.570 -0.002 0.000 0.333 385 c C -0.580 173.326 174.090 -0.305 0.000 1.202 385 c CA -0.485 55.575 56.329 -0.448 0.000 1.830 385 c CB 1.182 43.176 42.510 -0.860 0.000 2.326 385 c HN 0.657 nan 8.230 nan 0.000 0.507 386 Y N 3.349 123.257 120.300 -0.653 0.000 2.352 386 Y HA 0.714 5.263 4.550 -0.002 0.000 0.339 386 Y C -1.292 174.082 175.900 -0.876 0.000 0.992 386 Y CA -1.062 56.599 58.100 -0.731 0.000 1.100 386 Y CB 0.581 38.679 38.460 -0.603 0.000 1.192 386 Y HN 0.616 nan 8.280 nan 0.000 0.458 387 F N 4.180 123.305 119.950 -1.375 0.000 2.520 387 F HA 0.495 5.021 4.527 -0.002 0.000 0.322 387 F C -0.416 174.568 175.800 -1.361 0.000 1.103 387 F CA -0.716 56.467 58.000 -1.363 0.000 0.926 387 F CB 2.086 39.899 39.000 -1.980 0.000 1.154 387 F HN 0.391 nan 8.300 nan 0.000 0.453 388 Q N 3.430 122.824 119.800 -0.677 0.000 2.293 388 Q HA 0.407 4.745 4.340 -0.002 0.000 0.261 388 Q C 1.004 176.940 176.000 -0.107 0.000 0.960 388 Q CA -0.610 54.948 55.803 -0.408 0.000 0.882 388 Q CB 2.630 31.186 28.738 -0.302 0.000 1.275 388 Q HN 0.759 nan 8.270 nan 0.000 0.445 389 I N 1.004 121.585 120.570 0.019 0.000 2.315 389 I HA -0.287 3.882 4.170 -0.002 0.000 0.251 389 I C 0.661 176.899 176.117 0.202 0.000 1.125 389 I CA 1.448 62.879 61.300 0.218 0.000 1.392 389 I CB 0.196 38.343 38.000 0.244 0.000 1.065 389 I HN 0.657 nan 8.210 nan 0.000 0.424 390 D N 0.253 120.708 120.400 0.091 0.000 2.538 390 D HA 0.182 4.821 4.640 -0.002 0.000 0.231 390 D C 0.139 176.444 176.300 0.009 0.000 1.229 390 D CA 0.163 54.185 54.000 0.036 0.000 0.828 390 D CB 0.567 41.380 40.800 0.021 0.000 1.035 390 D HN 0.211 nan 8.370 nan 0.000 0.495 391 K N 1.247 121.664 120.400 0.029 0.000 2.203 391 K HA 0.284 4.603 4.320 -0.002 0.000 0.251 391 K C 0.376 176.993 176.600 0.028 0.000 0.944 391 K CA -0.715 55.571 56.287 -0.002 0.000 0.829 391 K CB 2.422 34.896 32.500 -0.044 0.000 1.125 391 K HN -0.069 nan 8.250 nan 0.000 0.430 392 K N 1.652 122.048 120.400 -0.006 0.000 2.187 392 K HA 0.076 4.395 4.320 -0.002 0.000 0.247 392 K C -0.436 176.152 176.600 -0.019 0.000 1.019 392 K CA -0.456 55.833 56.287 0.003 0.000 0.893 392 K CB 0.262 32.749 32.500 -0.021 0.000 1.025 392 K HN 0.536 nan 8.250 nan 0.000 0.500 393 D N -1.646 118.745 120.400 -0.015 0.000 4.443 393 D HA -0.241 4.398 4.640 -0.002 0.000 0.302 393 D C -0.236 175.862 176.300 -0.337 0.000 2.380 393 D CA 1.139 55.067 54.000 -0.120 0.000 1.094 393 D CB -0.926 39.797 40.800 -0.128 0.000 1.105 393 D HN 1.050 nan 8.370 nan 0.000 1.285 394 c N -3.028 115.233 118.600 -0.566 0.000 3.236 394 c HA 0.807 5.376 4.570 -0.002 0.000 0.312 394 c C -0.381 173.312 174.090 -0.662 0.000 1.374 394 c CA -0.564 55.197 56.329 -0.947 0.000 1.455 394 c CB 1.771 43.133 42.510 -1.913 0.000 1.834 394 c HN 0.620 nan 8.230 nan 0.000 0.460 395 T N 1.901 116.102 114.554 -0.588 0.000 2.770 395 T HA 0.511 4.860 4.350 -0.002 0.000 0.283 395 T C -0.733 173.731 174.700 -0.394 0.000 0.988 395 T CA 0.148 62.055 62.100 -0.321 0.000 0.957 395 T CB 0.278 69.108 68.868 -0.064 0.000 0.930 395 T HN 0.455 nan 8.240 nan 0.000 0.443 396 F N 3.560 123.388 119.950 -0.204 0.000 2.504 396 F HA 0.225 4.751 4.527 -0.002 0.000 0.369 396 F C 1.561 177.209 175.800 -0.253 0.000 1.082 396 F CA -0.966 56.904 58.000 -0.216 0.000 1.216 396 F CB 0.258 39.140 39.000 -0.196 0.000 1.108 396 F HN 0.571 nan 8.300 nan 0.000 0.554 397 I N -0.708 119.769 120.570 -0.153 0.000 3.941 397 I HA 0.223 4.392 4.170 -0.002 0.000 0.321 397 I C 0.410 176.414 176.117 -0.189 0.000 1.284 397 I CA 0.068 61.132 61.300 -0.393 0.000 1.226 397 I CB 0.006 37.473 38.000 -0.890 0.000 1.045 397 I HN 0.452 nan 8.210 nan 0.000 0.420 398 T N -0.270 114.201 114.554 -0.138 0.000 2.916 398 T HA 0.758 5.107 4.350 -0.002 0.000 0.292 398 T C -0.698 173.633 174.700 -0.615 0.000 1.064 398 T CA -0.748 61.236 62.100 -0.194 0.000 1.011 398 T CB 2.602 71.438 68.868 -0.053 0.000 1.152 398 T HN 0.352 nan 8.240 nan 0.000 0.510 399 K N -0.111 119.726 120.400 -0.938 0.000 2.607 399 K HA 0.743 5.062 4.320 -0.002 0.000 0.287 399 K C -0.639 175.314 176.600 -1.078 0.000 0.996 399 K CA -1.197 54.271 56.287 -1.366 0.000 0.876 399 K CB 1.742 33.853 32.500 -0.647 0.000 1.496 399 K HN 1.386 nan 8.250 nan 0.000 0.415 400 G N -0.148 108.077 108.800 -0.959 0.000 2.339 400 G HA2 0.013 3.971 3.960 -0.002 0.000 0.381 400 G HA3 0.013 3.971 3.960 -0.002 0.000 0.381 400 G C -1.132 173.249 174.900 -0.865 0.000 1.400 400 G CA -1.022 43.689 45.100 -0.648 0.000 1.002 400 G HN 0.368 nan 8.290 nan 0.000 0.633 401 T N 2.704 116.886 114.554 -0.620 0.000 4.104 401 T HA 0.503 4.852 4.350 -0.002 0.000 0.285 401 T C -0.057 174.477 174.700 -0.277 0.000 1.346 401 T CA 0.975 62.554 62.100 -0.868 0.000 1.158 401 T CB -1.219 67.361 68.868 -0.480 0.000 1.290 401 T HN 0.832 nan 8.240 nan 0.000 0.975 402 W N 0.229 121.404 121.300 -0.209 0.000 2.804 402 W HA 0.472 5.131 4.660 -0.002 0.000 0.420 402 W C -1.477 175.049 176.519 0.012 0.000 1.049 402 W CA -0.989 56.358 57.345 0.002 0.000 1.133 402 W CB 0.612 30.061 29.460 -0.018 0.000 1.478 402 W HN 0.118 nan 8.180 nan 0.000 0.581 403 E N 0.636 121.033 120.200 0.328 0.000 2.367 403 E HA 0.469 4.818 4.350 -0.002 0.000 0.273 403 E C -1.189 175.540 176.600 0.215 0.000 0.903 403 E CA -1.166 55.219 56.400 -0.024 0.000 0.764 403 E CB 3.257 32.968 29.700 0.019 0.000 1.252 403 E HN 0.165 nan 8.360 nan 0.000 0.446 404 V N 2.699 122.602 119.914 -0.018 0.000 2.555 404 V HA 0.054 4.173 4.120 -0.002 0.000 0.286 404 V C 0.930 177.110 176.094 0.144 0.000 1.044 404 V CA 0.448 62.834 62.300 0.143 0.000 1.026 404 V CB 0.601 32.413 31.823 -0.017 0.000 0.981 404 V HN 0.676 nan 8.190 nan 0.000 0.480 405 I N 2.856 123.540 120.570 0.190 0.000 2.628 405 I HA 0.346 4.515 4.170 -0.002 0.000 0.255 405 I C 1.147 177.372 176.117 0.181 0.000 1.119 405 I CA 1.056 62.461 61.300 0.175 0.000 1.448 405 I CB 0.209 38.250 38.000 0.069 0.000 1.133 405 I HN 0.765 nan 8.210 nan 0.000 0.438 406 G N 0.250 109.156 108.800 0.176 0.000 2.703 406 G HA2 0.578 4.537 3.960 -0.002 0.000 0.294 406 G HA3 0.578 4.537 3.960 -0.002 0.000 0.294 406 G C -1.405 173.577 174.900 0.137 0.000 1.451 406 G CA -0.524 44.672 45.100 0.159 0.000 0.869 406 G HN -0.091 nan 8.290 nan 0.000 0.516 407 I N 1.365 121.942 120.570 0.011 0.000 2.331 407 I HA 0.302 4.471 4.170 -0.002 0.000 0.292 407 I C 0.627 176.711 176.117 -0.056 0.000 0.998 407 I CA -0.575 60.657 61.300 -0.115 0.000 1.267 407 I CB 1.882 39.556 38.000 -0.545 0.000 1.386 407 I HN 0.508 nan 8.210 nan 0.000 0.476 408 E N 4.757 124.985 120.200 0.047 0.000 2.372 408 E HA 0.369 4.718 4.350 -0.002 0.000 0.201 408 E C 0.050 176.614 176.600 -0.060 0.000 0.938 408 E CA 0.170 56.635 56.400 0.109 0.000 0.944 408 E CB 1.053 30.900 29.700 0.245 0.000 0.937 408 E HN 0.654 nan 8.360 nan 0.000 0.495 409 A N 0.799 123.485 122.820 -0.222 0.000 2.608 409 A HA 0.638 4.957 4.320 -0.002 0.000 0.292 409 A C -1.811 175.697 177.584 -0.127 0.000 1.066 409 A CA -0.596 51.217 52.037 -0.373 0.000 0.676 409 A CB 1.494 19.751 19.000 -1.237 0.000 1.277 409 A HN 0.062 nan 8.150 nan 0.000 0.413 410 L N 2.282 123.467 121.223 -0.064 0.000 2.476 410 L HA 0.724 5.063 4.340 -0.002 0.000 0.269 410 L C -0.249 176.648 176.870 0.045 0.000 0.965 410 L CA 0.013 54.855 54.840 0.003 0.000 0.845 410 L CB 1.900 43.984 42.059 0.042 0.000 1.259 410 L HN 1.214 nan 8.230 nan 0.000 0.403 411 T N -0.473 114.131 114.554 0.084 0.000 2.773 411 T HA 0.363 4.712 4.350 -0.002 0.000 0.278 411 T C 1.058 175.806 174.700 0.080 0.000 1.011 411 T CA -0.171 61.989 62.100 0.100 0.000 1.014 411 T CB 1.541 70.502 68.868 0.155 0.000 1.293 411 T HN 0.433 nan 8.240 nan 0.000 0.554 412 S N 0.673 116.418 115.700 0.075 0.000 2.365 412 S HA -0.130 4.339 4.470 -0.002 0.000 0.225 412 S C 1.242 175.828 174.600 -0.024 0.000 1.039 412 S CA 1.806 60.032 58.200 0.042 0.000 1.033 412 S CB -0.525 62.698 63.200 0.038 0.000 0.887 412 S HN 0.779 nan 8.310 nan 0.000 0.447 413 D N -1.483 118.879 120.400 -0.063 0.000 2.392 413 D HA 0.189 4.828 4.640 -0.002 0.000 0.206 413 D C -0.535 175.421 176.300 -0.574 0.000 1.046 413 D CA 0.466 54.274 54.000 -0.320 0.000 0.865 413 D CB 0.384 40.959 40.800 -0.376 0.000 0.969 413 D HN 0.355 nan 8.370 nan 0.000 0.509 414 Y N 0.135 120.382 120.300 -0.088 0.000 2.470 414 Y HA 0.399 4.948 4.550 -0.002 0.000 0.341 414 Y C -0.617 175.139 175.900 -0.241 0.000 1.021 414 Y CA -0.885 57.082 58.100 -0.222 0.000 1.025 414 Y CB 2.270 40.492 38.460 -0.396 0.000 1.266 414 Y HN -0.259 nan 8.280 nan 0.000 0.448 415 L N 3.730 124.871 121.223 -0.137 0.000 2.307 415 L HA 0.614 4.953 4.340 -0.002 0.000 0.284 415 L C -1.632 175.167 176.870 -0.119 0.000 1.023 415 L CA -0.577 54.170 54.840 -0.155 0.000 0.810 415 L CB 0.710 42.587 42.059 -0.302 0.000 1.231 415 L HN 0.616 nan 8.230 nan 0.000 0.423 416 Y N 4.430 124.682 120.300 -0.079 0.000 2.420 416 Y HA 0.583 5.132 4.550 -0.002 0.000 0.334 416 Y C -0.430 175.519 175.900 0.081 0.000 1.094 416 Y CA -0.332 57.735 58.100 -0.056 0.000 1.126 416 Y CB 1.517 39.846 38.460 -0.218 0.000 1.217 416 Y HN 0.543 nan 8.280 nan 0.000 0.462 417 Y N -0.680 119.698 120.300 0.130 0.000 2.689 417 Y HA 0.768 5.317 4.550 -0.002 0.000 0.333 417 Y C -2.019 173.974 175.900 0.155 0.000 1.208 417 Y CA -1.936 56.224 58.100 0.101 0.000 1.055 417 Y CB 1.014 39.504 38.460 0.051 0.000 1.304 417 Y HN 0.427 nan 8.280 nan 0.000 0.455 418 I N 2.973 123.701 120.570 0.262 0.000 2.441 418 I HA 0.678 4.847 4.170 -0.002 0.000 0.295 418 I C -0.441 175.835 176.117 0.265 0.000 0.994 418 I CA -0.552 60.846 61.300 0.163 0.000 1.144 418 I CB 2.046 40.104 38.000 0.097 0.000 1.314 418 I HN 0.872 nan 8.210 nan 0.000 0.445 419 S N 3.418 119.236 115.700 0.196 0.000 2.671 419 S HA 0.347 4.816 4.470 -0.002 0.000 0.277 419 S C -0.420 174.219 174.600 0.066 0.000 1.165 419 S CA -0.948 57.364 58.200 0.186 0.000 0.822 419 S CB 1.637 64.979 63.200 0.237 0.000 1.150 419 S HN 0.787 nan 8.310 nan 0.000 0.479 420 N N -0.779 117.966 118.700 0.074 0.000 2.320 420 N HA 0.147 4.886 4.740 -0.002 0.000 0.237 420 N C 0.855 176.336 175.510 -0.049 0.000 1.129 420 N CA -0.316 52.737 53.050 0.005 0.000 0.854 420 N CB 0.291 38.768 38.487 -0.018 0.000 1.083 420 N HN 0.750 nan 8.380 nan 0.000 0.504 421 E N 0.668 120.679 120.200 -0.315 0.000 2.077 421 E HA -0.237 4.112 4.350 -0.002 0.000 0.193 421 E C -0.237 176.201 176.600 -0.271 0.000 0.989 421 E CA 0.585 56.538 56.400 -0.745 0.000 0.800 421 E CB -0.066 28.656 29.700 -1.631 0.000 0.746 421 E HN 0.439 nan 8.360 nan 0.000 0.452 422 Y N 2.056 122.246 120.300 -0.184 0.000 2.804 422 Y HA -0.150 4.399 4.550 -0.002 0.000 0.338 422 Y C 0.419 176.280 175.900 -0.065 0.000 1.252 422 Y CA 0.805 58.854 58.100 -0.086 0.000 1.576 422 Y CB -0.048 38.391 38.460 -0.036 0.000 1.223 422 Y HN 0.100 nan 8.280 nan 0.000 0.536 423 K N 3.424 123.546 120.400 -0.464 0.000 3.407 423 K HA -0.245 4.073 4.320 -0.002 0.000 0.312 423 K C 0.923 177.444 176.600 -0.131 0.000 1.302 423 K CA 0.792 56.849 56.287 -0.383 0.000 0.931 423 K CB -1.814 30.403 32.500 -0.473 0.000 1.257 423 K HN 1.279 nan 8.250 nan 0.000 0.454 424 G N 0.787 109.531 108.800 -0.093 0.000 2.168 424 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.257 424 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.257 424 G C 0.073 174.970 174.900 -0.005 0.000 0.997 424 G CA 0.814 45.913 45.100 -0.002 0.000 0.708 424 G HN 0.318 nan 8.290 nan 0.000 0.520 425 M N 0.432 119.963 119.600 -0.114 0.000 2.151 425 M HA 0.250 4.729 4.480 -0.002 0.000 0.349 425 M C -1.217 174.847 176.300 -0.394 0.000 1.284 425 M CA -1.891 53.200 55.300 -0.348 0.000 1.173 425 M CB 1.446 33.915 32.600 -0.218 0.000 1.469 425 M HN -0.124 nan 8.290 nan 0.000 0.439 426 P HA -0.055 nan 4.420 nan 0.000 0.222 426 P C 1.115 178.259 177.300 -0.259 0.000 1.147 426 P CA 0.875 63.781 63.100 -0.324 0.000 0.790 426 P CB 0.219 31.714 31.700 -0.342 0.000 0.780 427 G N -0.963 107.627 108.800 -0.350 0.000 3.233 427 G HA2 0.293 4.252 3.960 -0.002 0.000 0.227 427 G HA3 0.293 4.252 3.960 -0.002 0.000 0.227 427 G C 0.589 175.490 174.900 0.002 0.000 1.175 427 G CA 0.002 45.032 45.100 -0.117 0.000 0.781 427 G HN 0.359 nan 8.290 nan 0.000 0.542 428 G N -0.205 108.542 108.800 -0.087 0.000 2.441 428 G HA2 0.692 4.650 3.960 -0.002 0.000 0.334 428 G HA3 0.692 4.650 3.960 -0.002 0.000 0.334 428 G C -0.717 174.088 174.900 -0.158 0.000 1.161 428 G CA -0.872 44.214 45.100 -0.023 0.000 0.935 428 G HN 0.220 nan 8.290 nan 0.000 0.488 429 R N 0.699 121.074 120.500 -0.207 0.000 2.626 429 R HA 0.436 4.775 4.340 -0.002 0.000 0.274 429 R C -1.394 174.880 176.300 -0.044 0.000 1.031 429 R CA -0.903 55.044 56.100 -0.256 0.000 0.898 429 R CB 2.446 32.343 30.300 -0.671 0.000 1.222 429 R HN 0.569 nan 8.270 nan 0.000 0.455 430 N N 1.637 120.328 118.700 -0.015 0.000 2.484 430 N HA 0.295 5.034 4.740 -0.002 0.000 0.269 430 N C -1.438 173.968 175.510 -0.174 0.000 1.237 430 N CA -0.698 52.277 53.050 -0.125 0.000 0.838 430 N CB 2.575 40.887 38.487 -0.293 0.000 1.593 430 N HN 0.295 nan 8.380 nan 0.000 0.485 431 L N 2.048 123.027 121.223 -0.406 0.000 2.326 431 L HA 0.441 4.780 4.340 -0.002 0.000 0.278 431 L C -1.098 175.412 176.870 -0.601 0.000 1.092 431 L CA -0.243 54.387 54.840 -0.350 0.000 0.810 431 L CB 0.273 42.111 42.059 -0.368 0.000 1.153 431 L HN 0.544 nan 8.230 nan 0.000 0.439 432 Y N 3.148 123.093 120.300 -0.593 0.000 2.602 432 Y HA 0.486 5.035 4.550 -0.002 0.000 0.342 432 Y C -0.340 175.262 175.900 -0.497 0.000 1.029 432 Y CA -0.955 56.769 58.100 -0.627 0.000 1.080 432 Y CB 1.720 39.620 38.460 -0.933 0.000 1.284 432 Y HN 0.378 nan 8.280 nan 0.000 0.485 433 K N 1.622 121.909 120.400 -0.189 0.000 2.378 433 K HA 0.694 5.013 4.320 -0.002 0.000 0.252 433 K C -1.729 174.862 176.600 -0.014 0.000 0.931 433 K CA -0.467 55.642 56.287 -0.297 0.000 0.794 433 K CB 1.460 33.732 32.500 -0.381 0.000 1.181 433 K HN 0.603 nan 8.250 nan 0.000 0.425 434 I N 3.057 123.659 120.570 0.053 0.000 2.418 434 I HA 0.181 4.350 4.170 -0.002 0.000 0.287 434 I C -0.191 175.985 176.117 0.098 0.000 1.008 434 I CA -0.749 60.631 61.300 0.134 0.000 1.104 434 I CB 1.986 40.068 38.000 0.136 0.000 1.264 434 I HN 0.469 nan 8.210 nan 0.000 0.438 435 Q N 5.247 125.084 119.800 0.062 0.000 2.286 435 Q HA 0.220 4.559 4.340 -0.002 0.000 0.267 435 Q C 0.809 176.727 176.000 -0.136 0.000 1.028 435 Q CA -0.102 55.579 55.803 -0.203 0.000 0.901 435 Q CB 1.093 29.738 28.738 -0.155 0.000 1.183 435 Q HN 0.697 nan 8.270 nan 0.000 0.392 436 L N 1.940 123.039 121.223 -0.207 0.000 2.275 436 L HA -0.154 4.185 4.340 -0.002 0.000 0.215 436 L C 1.982 178.723 176.870 -0.215 0.000 1.119 436 L CA 1.006 55.808 54.840 -0.063 0.000 0.790 436 L CB -0.259 41.758 42.059 -0.071 0.000 0.919 436 L HN 0.597 nan 8.230 nan 0.000 0.443 437 S N -2.216 113.334 115.700 -0.250 0.000 2.650 437 S HA 0.008 4.477 4.470 -0.002 0.000 0.219 437 S C 0.264 174.686 174.600 -0.296 0.000 0.960 437 S CA -0.127 57.917 58.200 -0.259 0.000 0.925 437 S CB -0.092 62.993 63.200 -0.191 0.000 0.775 437 S HN 0.404 nan 8.310 nan 0.000 0.525 438 D N -0.303 119.900 120.400 -0.329 0.000 2.266 438 D HA 0.101 4.739 4.640 -0.002 0.000 0.218 438 D C -0.450 175.761 176.300 -0.148 0.000 1.311 438 D CA -0.474 53.355 54.000 -0.284 0.000 0.918 438 D CB -0.363 40.347 40.800 -0.149 0.000 1.530 438 D HN -0.040 nan 8.370 nan 0.000 0.514 439 Y N 0.946 121.214 120.300 -0.054 0.000 2.569 439 Y HA -0.102 4.447 4.550 -0.002 0.000 0.293 439 Y C 2.582 178.478 175.900 -0.006 0.000 1.144 439 Y CA 1.562 59.642 58.100 -0.035 0.000 1.321 439 Y CB -0.870 37.568 38.460 -0.037 0.000 0.982 439 Y HN 0.461 nan 8.280 nan 0.000 0.558 440 T N -2.567 112.048 114.554 0.103 0.000 3.055 440 T HA -0.043 4.306 4.350 -0.002 0.000 0.265 440 T C 0.727 175.469 174.700 0.070 0.000 1.111 440 T CA 0.203 62.348 62.100 0.076 0.000 1.118 440 T CB -0.232 68.657 68.868 0.035 0.000 0.909 440 T HN 0.138 nan 8.240 nan 0.000 0.501 441 K N 2.220 122.657 120.400 0.060 0.000 2.183 441 K HA 0.447 4.766 4.320 -0.002 0.000 0.272 441 K C -1.237 175.421 176.600 0.097 0.000 1.113 441 K CA -0.334 55.989 56.287 0.061 0.000 0.949 441 K CB 0.927 33.448 32.500 0.033 0.000 1.365 441 K HN 0.143 nan 8.250 nan 0.000 0.420 442 V N 2.623 122.600 119.914 0.105 0.000 2.378 442 V HA 0.216 4.334 4.120 -0.002 0.000 0.288 442 V C -0.048 176.108 176.094 0.104 0.000 1.016 442 V CA -0.825 61.556 62.300 0.136 0.000 0.840 442 V CB 1.597 33.524 31.823 0.173 0.000 0.994 442 V HN 0.574 nan 8.190 nan 0.000 0.431 443 T N 3.462 118.050 114.554 0.057 0.000 2.794 443 T HA 0.254 4.603 4.350 -0.002 0.000 0.280 443 T C -0.221 174.399 174.700 -0.134 0.000 0.987 443 T CA -0.266 61.816 62.100 -0.030 0.000 0.993 443 T CB 1.342 70.164 68.868 -0.076 0.000 0.939 443 T HN 0.776 nan 8.240 nan 0.000 0.449 444 C N 5.258 124.397 119.300 -0.268 0.000 2.373 444 C HA 0.398 4.857 4.460 -0.002 0.000 0.354 444 C C 1.639 176.289 174.990 -0.566 0.000 1.249 444 C CA -0.570 58.003 59.018 -0.741 0.000 1.784 444 C CB -1.959 25.286 27.740 -0.825 0.000 2.408 444 C HN 0.982 nan 8.230 nan 0.000 0.542 445 L N 4.665 125.533 121.223 -0.592 0.000 2.446 445 L HA 0.074 4.413 4.340 -0.002 0.000 0.219 445 L C 2.190 178.762 176.870 -0.497 0.000 1.116 445 L CA 0.937 55.520 54.840 -0.428 0.000 0.844 445 L CB -0.193 41.658 42.059 -0.346 0.000 0.970 445 L HN 0.885 nan 8.230 nan 0.000 0.457 446 S N -3.178 112.115 115.700 -0.678 0.000 2.554 446 S HA -0.021 4.448 4.470 -0.002 0.000 0.227 446 S C 1.850 176.072 174.600 -0.630 0.000 1.050 446 S CA -0.105 57.596 58.200 -0.832 0.000 0.927 446 S CB -0.337 61.972 63.200 -1.484 0.000 0.859 446 S HN 0.293 nan 8.310 nan 0.000 0.494 447 C N 2.686 121.589 119.300 -0.662 0.000 2.391 447 C HA -0.024 4.435 4.460 -0.002 0.000 0.276 447 C C 2.201 176.898 174.990 -0.488 0.000 1.217 447 C CA 1.095 59.650 59.018 -0.772 0.000 1.766 447 C CB -0.877 26.187 27.740 -1.127 0.000 2.046 447 C HN 0.619 nan 8.230 nan 0.000 0.475 448 E N -0.034 119.971 120.200 -0.325 0.000 2.501 448 E HA 0.180 4.529 4.350 -0.002 0.000 0.200 448 E C 1.728 178.272 176.600 -0.093 0.000 1.016 448 E CA -0.110 56.195 56.400 -0.157 0.000 0.921 448 E CB -0.039 29.588 29.700 -0.121 0.000 1.034 448 E HN 0.649 nan 8.360 nan 0.000 0.468 449 L N 0.671 121.836 121.223 -0.097 0.000 1.994 449 L HA -0.114 4.225 4.340 -0.002 0.000 0.208 449 L C 0.668 177.549 176.870 0.018 0.000 1.071 449 L CA 1.212 56.036 54.840 -0.026 0.000 0.745 449 L CB -0.131 41.928 42.059 -0.001 0.000 0.892 449 L HN 0.078 nan 8.230 nan 0.000 0.431 450 N N -1.157 117.571 118.700 0.047 0.000 2.839 450 N HA 0.132 4.871 4.740 -0.002 0.000 0.230 450 N C -2.301 173.235 175.510 0.044 0.000 1.388 450 N CA -0.631 52.440 53.050 0.034 0.000 0.747 450 N CB 1.616 40.118 38.487 0.025 0.000 1.411 450 N HN -0.089 nan 8.380 nan 0.000 0.556 451 P HA 0.001 nan 4.420 nan 0.000 0.225 451 P C 0.786 178.132 177.300 0.076 0.000 1.156 451 P CA 1.159 64.307 63.100 0.080 0.000 0.787 451 P CB 0.631 32.392 31.700 0.101 0.000 0.802 452 E N -1.017 119.210 120.200 0.044 0.000 2.276 452 E HA 0.042 4.391 4.350 -0.002 0.000 0.193 452 E C 2.115 178.721 176.600 0.009 0.000 0.983 452 E CA 0.368 56.787 56.400 0.032 0.000 0.861 452 E CB -0.200 29.513 29.700 0.021 0.000 0.817 452 E HN 0.077 nan 8.360 nan 0.000 0.485 453 R N -0.747 119.749 120.500 -0.008 0.000 2.223 453 R HA 0.180 4.519 4.340 -0.002 0.000 0.198 453 R C -0.407 175.849 176.300 -0.073 0.000 0.984 453 R CA 0.524 56.598 56.100 -0.044 0.000 1.018 453 R CB 0.376 30.642 30.300 -0.057 0.000 0.945 453 R HN 0.080 nan 8.270 nan 0.000 0.479 454 c N 1.018 119.582 118.600 -0.061 0.000 2.407 454 c HA 0.401 4.970 4.570 -0.002 0.000 0.328 454 c C -0.157 173.887 174.090 -0.076 0.000 1.137 454 c CA -0.669 55.560 56.329 -0.168 0.000 1.390 454 c CB 1.375 43.752 42.510 -0.222 0.000 1.989 454 c HN 0.516 nan 8.230 nan 0.000 0.432 455 Q N 0.600 120.360 119.800 -0.066 0.000 2.093 455 Q HA 0.227 4.565 4.340 -0.002 0.000 0.217 455 Q C -1.019 175.035 176.000 0.090 0.000 0.785 455 Q CA 0.077 55.922 55.803 0.070 0.000 1.038 455 Q CB 1.281 30.085 28.738 0.110 0.000 1.190 455 Q HN 0.792 nan 8.270 nan 0.000 0.468 456 Y N 0.262 120.436 120.300 -0.209 0.000 2.317 456 Y HA 0.345 4.894 4.550 -0.002 0.000 0.329 456 Y C -1.763 173.987 175.900 -0.251 0.000 1.101 456 Y CA -0.985 57.030 58.100 -0.141 0.000 1.228 456 Y CB 0.800 39.192 38.460 -0.113 0.000 1.123 456 Y HN -0.059 nan 8.280 nan 0.000 0.457 457 Y N 2.492 122.744 120.300 -0.080 0.000 2.446 457 Y HA 0.652 5.201 4.550 -0.002 0.000 0.338 457 Y C 0.349 176.210 175.900 -0.065 0.000 1.055 457 Y CA -0.478 57.586 58.100 -0.059 0.000 1.101 457 Y CB 2.212 40.604 38.460 -0.114 0.000 1.221 457 Y HN 0.533 nan 8.280 nan 0.000 0.460 458 S N 1.030 116.825 115.700 0.160 0.000 2.715 458 S HA 0.887 5.356 4.470 -0.002 0.000 0.307 458 S C -1.443 173.236 174.600 0.132 0.000 1.119 458 S CA -0.765 57.513 58.200 0.131 0.000 0.937 458 S CB 1.908 65.195 63.200 0.146 0.000 1.150 458 S HN 0.610 nan 8.310 nan 0.000 0.521 459 V N 0.301 120.292 119.914 0.128 0.000 3.012 459 V HA 0.824 4.943 4.120 -0.002 0.000 0.307 459 V C -1.296 174.888 176.094 0.150 0.000 1.166 459 V CA -0.187 62.166 62.300 0.089 0.000 0.974 459 V CB 2.246 34.061 31.823 -0.012 0.000 1.040 459 V HN 1.226 nan 8.190 nan 0.000 0.428 460 S N 5.407 121.193 115.700 0.143 0.000 2.756 460 S HA 0.693 5.162 4.470 -0.002 0.000 0.303 460 S C -1.269 173.523 174.600 0.320 0.000 1.135 460 S CA -0.365 58.015 58.200 0.299 0.000 1.066 460 S CB 0.586 64.001 63.200 0.357 0.000 1.008 460 S HN 0.516 nan 8.310 nan 0.000 0.482 461 F N 3.403 123.465 119.950 0.187 0.000 2.385 461 F HA 0.444 4.970 4.527 -0.002 0.000 0.336 461 F C 1.363 176.822 175.800 -0.569 0.000 1.100 461 F CA -0.241 57.699 58.000 -0.100 0.000 1.116 461 F CB 1.671 40.583 39.000 -0.147 0.000 1.166 461 F HN 0.693 nan 8.300 nan 0.000 0.511 462 S N 2.803 117.825 115.700 -1.131 0.000 2.606 462 S HA 0.241 4.710 4.470 -0.002 0.000 0.257 462 S C -0.240 174.161 174.600 -0.332 0.000 1.327 462 S CA -1.015 56.409 58.200 -1.292 0.000 0.984 462 S CB 0.349 62.764 63.200 -1.309 0.000 0.941 462 S HN 0.534 nan 8.310 nan 0.000 0.576 463 K N 1.006 121.334 120.400 -0.119 0.000 2.436 463 K HA 0.080 4.399 4.320 -0.002 0.000 0.275 463 K C 0.268 176.863 176.600 -0.009 0.000 0.999 463 K CA 0.018 56.309 56.287 0.006 0.000 0.980 463 K CB 0.089 32.636 32.500 0.079 0.000 0.919 463 K HN 0.711 nan 8.250 nan 0.000 0.484 464 E N 0.278 120.480 120.200 0.004 0.000 3.916 464 E HA -0.289 4.060 4.350 -0.002 0.000 0.331 464 E C 0.022 176.597 176.600 -0.042 0.000 0.729 464 E CA 1.054 57.455 56.400 0.001 0.000 1.222 464 E CB -1.451 28.263 29.700 0.023 0.000 1.633 464 E HN 0.965 nan 8.360 nan 0.000 0.437 465 A N -0.083 122.693 122.820 -0.072 0.000 2.799 465 A HA -0.332 3.987 4.320 -0.002 0.000 0.287 465 A C 1.360 178.903 177.584 -0.069 0.000 1.484 465 A CA 1.960 53.961 52.037 -0.061 0.000 0.813 465 A CB -1.013 17.822 19.000 -0.275 0.000 1.009 465 A HN 0.217 nan 8.150 nan 0.000 0.545 466 K N -1.757 118.539 120.400 -0.173 0.000 2.288 466 K HA 0.066 4.385 4.320 -0.002 0.000 0.201 466 K C -0.052 176.127 176.600 -0.701 0.000 1.048 466 K CA 1.186 57.228 56.287 -0.409 0.000 0.956 466 K CB -0.048 32.165 32.500 -0.477 0.000 0.746 466 K HN 0.752 nan 8.250 nan 0.000 0.461 467 Y N -0.413 119.823 120.300 -0.108 0.000 2.524 467 Y HA 0.302 4.851 4.550 -0.002 0.000 0.347 467 Y C -0.436 175.377 175.900 -0.145 0.000 1.005 467 Y CA -1.865 56.160 58.100 -0.125 0.000 1.025 467 Y CB 1.554 39.943 38.460 -0.119 0.000 1.275 467 Y HN -0.034 nan 8.280 nan 0.000 0.460 468 Y N -0.745 119.530 120.300 -0.042 0.000 2.524 468 Y HA 0.610 5.159 4.550 -0.002 0.000 0.347 468 Y C -1.018 174.928 175.900 0.077 0.000 1.005 468 Y CA -1.551 56.382 58.100 -0.278 0.000 1.025 468 Y CB 1.613 39.386 38.460 -1.146 0.000 1.275 468 Y HN 0.592 nan 8.280 nan 0.000 0.460 469 Q N 3.871 123.813 119.800 0.237 0.000 2.325 469 Q HA 0.532 4.871 4.340 -0.002 0.000 0.262 469 Q C -1.828 174.270 176.000 0.163 0.000 0.968 469 Q CA -0.609 55.286 55.803 0.153 0.000 0.877 469 Q CB 1.239 30.023 28.738 0.077 0.000 1.253 469 Q HN 0.980 nan 8.270 nan 0.000 0.448 470 L N 4.100 125.443 121.223 0.200 0.000 2.325 470 L HA 0.544 4.883 4.340 -0.002 0.000 0.279 470 L C -0.327 176.610 176.870 0.112 0.000 1.054 470 L CA -0.710 54.245 54.840 0.190 0.000 0.804 470 L CB 1.240 43.438 42.059 0.232 0.000 1.200 470 L HN 0.670 nan 8.230 nan 0.000 0.436 471 R N 2.521 123.056 120.500 0.059 0.000 2.473 471 R HA 0.433 4.772 4.340 -0.002 0.000 0.303 471 R C -0.963 175.192 176.300 -0.242 0.000 1.002 471 R CA -0.543 55.398 56.100 -0.265 0.000 0.884 471 R CB 0.904 31.059 30.300 -0.242 0.000 1.173 471 R HN 0.595 nan 8.270 nan 0.000 0.464 472 c N 2.333 120.683 118.600 -0.416 0.000 2.388 472 c HA 0.585 5.154 4.570 -0.002 0.000 0.362 472 c C 0.497 174.362 174.090 -0.376 0.000 1.266 472 c CA -0.267 55.719 56.329 -0.572 0.000 2.028 472 c CB 1.170 43.237 42.510 -0.738 0.000 2.440 472 c HN 0.978 nan 8.230 nan 0.000 0.547 473 S N 2.231 117.796 115.700 -0.226 0.000 2.559 473 S HA 0.561 5.030 4.470 -0.002 0.000 0.226 473 S C 0.461 175.015 174.600 -0.077 0.000 1.000 473 S CA 0.518 58.652 58.200 -0.111 0.000 0.948 473 S CB 0.125 63.288 63.200 -0.063 0.000 0.870 473 S HN 1.546 nan 8.310 nan 0.000 0.497 474 G N 1.570 110.309 108.800 -0.102 0.000 2.356 474 G HA2 0.195 4.154 3.960 -0.002 0.000 0.300 474 G HA3 0.195 4.154 3.960 -0.002 0.000 0.300 474 G C -3.120 171.754 174.900 -0.043 0.000 1.331 474 G CA -0.677 44.402 45.100 -0.034 0.000 0.905 474 G HN -0.160 nan 8.290 nan 0.000 0.587 475 P HA 0.186 nan 4.420 nan 0.000 0.241 475 P C 1.280 178.604 177.300 0.040 0.000 1.191 475 P CA 1.299 64.425 63.100 0.043 0.000 0.771 475 P CB 0.356 32.078 31.700 0.037 0.000 0.929 476 G N -0.017 108.742 108.800 -0.068 0.000 2.525 476 G HA2 0.432 4.390 3.960 -0.002 0.000 0.287 476 G HA3 0.432 4.390 3.960 -0.002 0.000 0.287 476 G C -0.507 174.174 174.900 -0.366 0.000 1.350 476 G CA -0.773 44.220 45.100 -0.179 0.000 1.039 476 G HN 0.033 nan 8.290 nan 0.000 0.513 477 L N 1.222 122.153 121.223 -0.487 0.000 2.485 477 L HA 0.150 4.488 4.340 -0.002 0.000 0.275 477 L C -1.808 174.899 176.870 -0.271 0.000 1.207 477 L CA -1.182 53.323 54.840 -0.559 0.000 0.855 477 L CB 0.792 42.605 42.059 -0.410 0.000 1.114 477 L HN 0.245 nan 8.230 nan 0.000 0.485 478 P HA 0.033 nan 4.420 nan 0.000 0.266 478 P C -0.978 176.290 177.300 -0.053 0.000 1.193 478 P CA 0.167 63.208 63.100 -0.099 0.000 0.770 478 P CB 0.492 32.244 31.700 0.087 0.000 0.836 479 L N 4.017 125.118 121.223 -0.203 0.000 2.516 479 L HA 0.400 4.739 4.340 -0.002 0.000 0.267 479 L C -1.740 174.996 176.870 -0.223 0.000 0.957 479 L CA -0.659 54.130 54.840 -0.085 0.000 0.860 479 L CB 1.155 43.160 42.059 -0.090 0.000 1.265 479 L HN 0.357 nan 8.230 nan 0.000 0.403 480 Y N 2.478 122.743 120.300 -0.059 0.000 2.328 480 Y HA 0.609 5.158 4.550 -0.002 0.000 0.337 480 Y C 0.679 176.467 175.900 -0.187 0.000 0.966 480 Y CA -0.543 57.500 58.100 -0.095 0.000 1.136 480 Y CB 2.130 40.521 38.460 -0.115 0.000 1.170 480 Y HN 0.555 nan 8.280 nan 0.000 0.470 481 T N 1.855 116.377 114.554 -0.053 0.000 2.906 481 T HA 0.642 4.991 4.350 -0.002 0.000 0.295 481 T C -1.370 173.138 174.700 -0.321 0.000 1.061 481 T CA -0.909 61.064 62.100 -0.212 0.000 1.000 481 T CB 1.898 70.664 68.868 -0.170 0.000 1.103 481 T HN 0.524 nan 8.240 nan 0.000 0.486 482 L N 1.845 122.773 121.223 -0.491 0.000 2.334 482 L HA 0.675 5.014 4.340 -0.002 0.000 0.276 482 L C -1.314 175.169 176.870 -0.644 0.000 1.014 482 L CA -0.597 54.013 54.840 -0.383 0.000 0.815 482 L CB 1.539 43.463 42.059 -0.225 0.000 1.268 482 L HN 0.976 nan 8.230 nan 0.000 0.428 483 H N 0.578 119.476 119.070 -0.288 0.000 2.961 483 H HA 0.365 4.920 4.556 -0.002 0.000 0.371 483 H C -0.446 174.716 175.328 -0.277 0.000 1.190 483 H CA -0.611 55.179 56.048 -0.431 0.000 1.138 483 H CB 1.934 31.098 29.762 -0.997 0.000 1.816 483 H HN 0.532 nan 8.280 nan 0.000 0.551 484 S N 0.608 116.309 115.700 0.003 0.000 2.480 484 S HA 0.204 4.673 4.470 -0.002 0.000 0.286 484 S C 0.550 175.119 174.600 -0.051 0.000 1.180 484 S CA -0.654 57.571 58.200 0.042 0.000 1.075 484 S CB 1.598 64.861 63.200 0.105 0.000 0.996 484 S HN 0.594 nan 8.310 nan 0.000 0.487 485 S N 2.535 118.197 115.700 -0.064 0.000 2.423 485 S HA -0.084 4.385 4.470 -0.002 0.000 0.231 485 S C 1.905 176.523 174.600 0.030 0.000 1.014 485 S CA 0.962 59.225 58.200 0.106 0.000 0.965 485 S CB -0.543 62.712 63.200 0.091 0.000 0.785 485 S HN 0.646 nan 8.310 nan 0.000 0.495 486 V N 1.796 121.688 119.914 -0.037 0.000 2.231 486 V HA -0.209 3.909 4.120 -0.002 0.000 0.250 486 V C 0.303 176.396 176.094 -0.003 0.000 1.058 486 V CA 1.636 63.926 62.300 -0.016 0.000 1.022 486 V CB -0.678 31.131 31.823 -0.022 0.000 0.640 486 V HN 0.488 nan 8.190 nan 0.000 0.445 487 N N -0.628 118.072 118.700 -0.000 0.000 2.716 487 N HA 0.321 5.060 4.740 -0.002 0.000 0.253 487 N C -1.279 174.234 175.510 0.005 0.000 1.170 487 N CA -0.300 52.750 53.050 0.000 0.000 0.807 487 N CB 0.693 39.183 38.487 0.006 0.000 1.183 487 N HN 0.263 nan 8.380 nan 0.000 0.524 488 D N 1.549 121.956 120.400 0.012 0.000 3.011 488 D HA -0.163 4.476 4.640 -0.002 0.000 0.268 488 D C 0.025 176.337 176.300 0.019 0.000 1.410 488 D CA 1.042 55.069 54.000 0.045 0.000 1.475 488 D CB 0.146 40.987 40.800 0.069 0.000 1.180 488 D HN 0.336 nan 8.370 nan 0.000 0.569 489 K N 0.915 121.327 120.400 0.020 0.000 2.130 489 K HA 0.484 4.803 4.320 -0.002 0.000 0.268 489 K C 0.420 177.059 176.600 0.065 0.000 0.983 489 K CA -0.841 55.464 56.287 0.030 0.000 0.893 489 K CB 1.116 33.623 32.500 0.012 0.000 1.066 489 K HN 0.290 nan 8.250 nan 0.000 0.450 490 G N 3.561 112.410 108.800 0.081 0.000 2.380 490 G HA2 0.211 4.170 3.960 -0.002 0.000 0.262 490 G HA3 0.211 4.170 3.960 -0.002 0.000 0.262 490 G C 0.474 175.292 174.900 -0.136 0.000 1.243 490 G CA -0.427 44.652 45.100 -0.036 0.000 0.865 490 G HN 0.683 nan 8.290 nan 0.000 0.513 491 L N 1.381 122.461 121.223 -0.239 0.000 2.286 491 L HA 0.387 4.726 4.340 -0.002 0.000 0.203 491 L C 1.401 178.186 176.870 -0.141 0.000 1.068 491 L CA 0.588 55.341 54.840 -0.145 0.000 0.811 491 L CB 0.079 42.067 42.059 -0.118 0.000 0.989 491 L HN 0.432 nan 8.230 nan 0.000 0.467 492 R N -1.656 118.720 120.500 -0.207 0.000 2.690 492 R HA 0.420 4.759 4.340 -0.002 0.000 0.269 492 R C -1.543 174.627 176.300 -0.217 0.000 1.037 492 R CA -0.633 55.367 56.100 -0.166 0.000 0.877 492 R CB 2.479 32.693 30.300 -0.144 0.000 1.255 492 R HN -0.321 nan 8.270 nan 0.000 0.467 493 V N 3.976 123.792 119.914 -0.162 0.000 2.432 493 V HA 0.191 4.310 4.120 -0.002 0.000 0.275 493 V C 0.980 176.947 176.094 -0.211 0.000 1.043 493 V CA -0.079 62.126 62.300 -0.159 0.000 0.925 493 V CB 1.274 33.042 31.823 -0.092 0.000 0.985 493 V HN 0.650 nan 8.190 nan 0.000 0.466 494 L N 2.562 123.594 121.223 -0.317 0.000 2.221 494 L HA 0.328 4.667 4.340 -0.002 0.000 0.202 494 L C 0.694 177.365 176.870 -0.333 0.000 1.074 494 L CA 0.623 55.112 54.840 -0.586 0.000 0.795 494 L CB 0.225 41.530 42.059 -1.257 0.000 0.960 494 L HN 0.655 nan 8.230 nan 0.000 0.458 495 E N 0.056 120.179 120.200 -0.129 0.000 2.307 495 E HA 0.107 4.455 4.350 -0.002 0.000 0.280 495 E C -1.121 175.537 176.600 0.097 0.000 0.900 495 E CA -0.401 56.015 56.400 0.026 0.000 0.790 495 E CB 1.176 30.897 29.700 0.035 0.000 1.261 495 E HN 0.171 nan 8.360 nan 0.000 0.405 496 D N 3.132 123.564 120.400 0.053 0.000 2.433 496 D HA 0.106 4.745 4.640 -0.002 0.000 0.211 496 D C -0.348 175.971 176.300 0.031 0.000 1.114 496 D CA -0.234 53.789 54.000 0.039 0.000 0.837 496 D CB -0.078 40.723 40.800 0.003 0.000 0.984 496 D HN 0.442 nan 8.370 nan 0.000 0.505 497 N N 0.579 119.310 118.700 0.050 0.000 2.721 497 N HA -0.226 4.513 4.740 -0.002 0.000 0.249 497 N C 1.038 176.554 175.510 0.010 0.000 1.072 497 N CA 0.926 53.996 53.050 0.035 0.000 0.710 497 N CB -1.393 37.108 38.487 0.023 0.000 0.993 497 N HN 0.504 nan 8.380 nan 0.000 0.547 498 S N -0.897 114.811 115.700 0.014 0.000 2.370 498 S HA -0.130 4.338 4.470 -0.002 0.000 0.226 498 S C 2.113 176.726 174.600 0.021 0.000 1.033 498 S CA 1.159 59.364 58.200 0.009 0.000 1.011 498 S CB -0.258 62.950 63.200 0.012 0.000 0.852 498 S HN 0.533 nan 8.310 nan 0.000 0.457 499 A N 2.513 125.354 122.820 0.036 0.000 1.865 499 A HA 0.026 4.345 4.320 -0.002 0.000 0.217 499 A C 2.312 179.935 177.584 0.065 0.000 1.191 499 A CA 1.597 53.664 52.037 0.050 0.000 0.623 499 A CB -1.013 18.021 19.000 0.056 0.000 0.826 499 A HN 0.515 nan 8.150 nan 0.000 0.444 500 L N -0.236 121.027 121.223 0.067 0.000 2.046 500 L HA -0.214 4.125 4.340 -0.002 0.000 0.208 500 L C 2.118 179.010 176.870 0.037 0.000 1.077 500 L CA 2.903 57.794 54.840 0.086 0.000 0.747 500 L CB -1.046 41.061 42.059 0.080 0.000 0.896 500 L HN 0.522 nan 8.230 nan 0.000 0.432 501 D N 0.200 120.597 120.400 -0.005 0.000 2.133 501 D HA -0.289 4.350 4.640 -0.002 0.000 0.192 501 D C 2.207 178.505 176.300 -0.002 0.000 1.001 501 D CA 2.397 56.379 54.000 -0.031 0.000 0.844 501 D CB 0.081 40.858 40.800 -0.038 0.000 0.944 501 D HN 0.526 nan 8.370 nan 0.000 0.447 502 K N -0.393 120.020 120.400 0.022 0.000 2.097 502 K HA -0.114 4.205 4.320 -0.002 0.000 0.205 502 K C 2.254 178.888 176.600 0.056 0.000 1.050 502 K CA 1.280 57.588 56.287 0.034 0.000 0.938 502 K CB -0.362 32.162 32.500 0.039 0.000 0.718 502 K HN 0.221 nan 8.250 nan 0.000 0.442 503 M N 1.114 120.769 119.600 0.092 0.000 2.159 503 M HA -0.065 4.414 4.480 -0.002 0.000 0.263 503 M C 2.122 178.452 176.300 0.049 0.000 1.063 503 M CA 1.477 56.870 55.300 0.155 0.000 1.110 503 M CB -0.337 32.462 32.600 0.331 0.000 1.374 503 M HN 0.108 nan 8.290 nan 0.000 0.411 504 L N -0.321 120.880 121.223 -0.037 0.000 2.291 504 L HA -0.179 4.159 4.340 -0.002 0.000 0.214 504 L C 2.321 179.155 176.870 -0.060 0.000 1.120 504 L CA 0.972 55.736 54.840 -0.126 0.000 0.799 504 L CB -0.616 41.380 42.059 -0.106 0.000 0.925 504 L HN 0.406 nan 8.230 nan 0.000 0.446 505 Q N -0.204 119.585 119.800 -0.017 0.000 2.181 505 Q HA -0.196 4.143 4.340 -0.002 0.000 0.205 505 Q C 1.294 177.303 176.000 0.016 0.000 0.980 505 Q CA 1.233 57.037 55.803 0.001 0.000 0.862 505 Q CB -0.106 28.639 28.738 0.013 0.000 0.905 505 Q HN 0.296 nan 8.270 nan 0.000 0.429 506 N N -0.047 118.671 118.700 0.030 0.000 2.295 506 N HA 0.078 4.817 4.740 -0.002 0.000 0.221 506 N C -1.458 174.084 175.510 0.053 0.000 1.129 506 N CA 0.018 53.100 53.050 0.054 0.000 0.836 506 N CB 0.658 39.195 38.487 0.083 0.000 1.040 506 N HN -0.120 nan 8.380 nan 0.000 0.494 507 V N 0.757 120.674 119.914 0.004 0.000 2.735 507 V HA 0.304 4.423 4.120 -0.002 0.000 0.310 507 V C 0.009 176.098 176.094 -0.009 0.000 1.061 507 V CA -0.967 61.335 62.300 0.003 0.000 0.913 507 V CB 2.187 33.958 31.823 -0.086 0.000 1.005 507 V HN 0.047 nan 8.190 nan 0.000 0.428 508 Q N 3.991 123.792 119.800 0.001 0.000 2.641 508 Q HA 0.289 4.628 4.340 -0.002 0.000 0.225 508 Q C -0.475 175.483 176.000 -0.070 0.000 1.309 508 Q CA -0.116 55.647 55.803 -0.067 0.000 0.935 508 Q CB 0.259 28.933 28.738 -0.108 0.000 1.557 508 Q HN 0.511 nan 8.270 nan 0.000 0.563 509 M N 3.525 123.080 119.600 -0.075 0.000 2.235 509 M HA 0.309 4.788 4.480 -0.002 0.000 0.351 509 M C -1.968 174.270 176.300 -0.103 0.000 1.178 509 M CA -2.397 52.852 55.300 -0.085 0.000 1.143 509 M CB 0.091 32.647 32.600 -0.073 0.000 1.530 509 M HN 0.270 nan 8.290 nan 0.000 0.461 510 P HA 0.205 nan 4.420 nan 0.000 0.273 510 P C -0.639 176.586 177.300 -0.125 0.000 1.250 510 P CA -0.349 62.670 63.100 -0.135 0.000 0.793 510 P CB 0.346 31.949 31.700 -0.161 0.000 1.011 511 S N -1.099 114.513 115.700 -0.146 0.000 2.704 511 S HA 0.624 5.093 4.470 -0.002 0.000 0.305 511 S C -0.564 173.940 174.600 -0.160 0.000 1.107 511 S CA -0.807 57.316 58.200 -0.128 0.000 0.993 511 S CB 1.723 64.847 63.200 -0.127 0.000 1.110 511 S HN 0.500 nan 8.310 nan 0.000 0.534 512 K N 0.588 120.915 120.400 -0.122 0.000 2.376 512 K HA 0.402 4.721 4.320 -0.002 0.000 0.257 512 K C -1.318 175.213 176.600 -0.114 0.000 0.939 512 K CA -0.597 55.618 56.287 -0.120 0.000 0.809 512 K CB 1.212 33.662 32.500 -0.084 0.000 1.121 512 K HN 0.564 nan 8.250 nan 0.000 0.425 513 K N 5.579 125.895 120.400 -0.140 0.000 2.274 513 K HA 0.345 4.663 4.320 -0.002 0.000 0.262 513 K C -1.506 175.012 176.600 -0.137 0.000 0.961 513 K CA -0.642 55.561 56.287 -0.139 0.000 0.833 513 K CB 1.167 33.558 32.500 -0.182 0.000 1.102 513 K HN 0.734 nan 8.250 nan 0.000 0.436 514 L N 3.977 125.140 121.223 -0.099 0.000 2.349 514 L HA 0.501 4.840 4.340 -0.002 0.000 0.278 514 L C -1.238 175.617 176.870 -0.026 0.000 0.996 514 L CA -0.184 54.631 54.840 -0.043 0.000 0.825 514 L CB 1.399 43.501 42.059 0.071 0.000 1.243 514 L HN 0.734 nan 8.230 nan 0.000 0.412 515 D N 2.949 123.239 120.400 -0.184 0.000 2.992 515 D HA 0.451 5.090 4.640 -0.002 0.000 0.349 515 D C -1.742 174.391 176.300 -0.278 0.000 1.393 515 D CA 0.033 53.879 54.000 -0.258 0.000 0.887 515 D CB 1.856 42.385 40.800 -0.452 0.000 1.447 515 D HN 0.330 nan 8.370 nan 0.000 0.524 516 F N 0.085 119.858 119.950 -0.294 0.000 2.626 516 F HA 0.718 5.244 4.527 -0.002 0.000 0.311 516 F C -0.803 175.127 175.800 0.215 0.000 1.088 516 F CA -1.063 56.844 58.000 -0.156 0.000 0.949 516 F CB 0.996 39.376 39.000 -1.033 0.000 1.322 516 F HN 0.302 nan 8.300 nan 0.000 0.461 517 I N 0.214 121.087 120.570 0.505 0.000 2.957 517 I HA 0.669 4.838 4.170 -0.002 0.000 0.310 517 I C -1.372 174.987 176.117 0.404 0.000 1.063 517 I CA -1.204 60.300 61.300 0.339 0.000 1.033 517 I CB 2.470 40.601 38.000 0.219 0.000 1.230 517 I HN 0.673 nan 8.210 nan 0.000 0.447 518 I N 3.812 124.554 120.570 0.286 0.000 2.355 518 I HA 0.272 4.441 4.170 -0.002 0.000 0.288 518 I C 0.363 176.613 176.117 0.223 0.000 0.999 518 I CA -0.371 61.076 61.300 0.246 0.000 1.163 518 I CB 2.000 40.110 38.000 0.183 0.000 1.316 518 I HN 0.691 nan 8.210 nan 0.000 0.454 519 L N 5.768 127.179 121.223 0.313 0.000 2.228 519 L HA 0.098 4.437 4.340 -0.002 0.000 0.196 519 L C 1.664 178.630 176.870 0.160 0.000 1.162 519 L CA 0.651 55.639 54.840 0.247 0.000 0.801 519 L CB -0.136 42.113 42.059 0.316 0.000 0.983 519 L HN 0.619 nan 8.230 nan 0.000 0.471 520 N N 0.071 118.879 118.700 0.180 0.000 2.077 520 N HA -0.002 4.737 4.740 -0.002 0.000 0.236 520 N C 0.352 175.908 175.510 0.076 0.000 1.060 520 N CA 0.539 53.647 53.050 0.098 0.000 1.130 520 N CB -0.088 38.448 38.487 0.081 0.000 1.478 520 N HN 0.155 nan 8.380 nan 0.000 0.586 521 E N 0.265 120.497 120.200 0.053 0.000 2.651 521 E HA 0.283 4.632 4.350 -0.002 0.000 0.213 521 E C -0.894 175.703 176.600 -0.005 0.000 1.028 521 E CA -0.058 56.358 56.400 0.026 0.000 1.183 521 E CB 0.615 30.321 29.700 0.010 0.000 1.188 521 E HN 0.167 nan 8.360 nan 0.000 0.444 522 T N 0.646 115.199 114.554 -0.002 0.000 2.921 522 T HA 0.245 4.594 4.350 -0.002 0.000 0.297 522 T C -0.442 174.092 174.700 -0.276 0.000 1.013 522 T CA -0.879 61.124 62.100 -0.161 0.000 0.990 522 T CB 1.657 70.401 68.868 -0.207 0.000 1.023 522 T HN -0.030 nan 8.240 nan 0.000 0.447 523 K N 2.312 122.484 120.400 -0.380 0.000 2.379 523 K HA 0.405 4.724 4.320 -0.002 0.000 0.284 523 K C -1.050 175.224 176.600 -0.543 0.000 1.044 523 K CA 0.028 56.077 56.287 -0.397 0.000 0.974 523 K CB 0.389 32.536 32.500 -0.589 0.000 0.962 523 K HN 0.390 nan 8.250 nan 0.000 0.474 524 F N 2.043 122.033 119.950 0.067 0.000 2.518 524 F HA 0.301 4.827 4.527 -0.002 0.000 0.323 524 F C -0.477 175.437 175.800 0.190 0.000 1.129 524 F CA -0.802 57.270 58.000 0.121 0.000 0.920 524 F CB 0.974 40.075 39.000 0.170 0.000 1.160 524 F HN 0.437 nan 8.300 nan 0.000 0.440 525 W N 3.818 125.302 121.300 0.305 0.000 2.381 525 W HA 0.530 5.189 4.660 -0.002 0.000 0.329 525 W C -0.637 176.143 176.519 0.435 0.000 1.157 525 W CA -0.458 57.104 57.345 0.362 0.000 1.240 525 W CB 0.856 30.438 29.460 0.204 0.000 1.199 525 W HN 0.441 nan 8.180 nan 0.000 0.579 526 Y N -0.387 120.261 120.300 0.580 0.000 2.615 526 Y HA 0.664 5.213 4.550 -0.002 0.000 0.341 526 Y C -1.058 175.068 175.900 0.376 0.000 1.089 526 Y CA -2.025 56.395 58.100 0.534 0.000 1.049 526 Y CB 1.086 39.974 38.460 0.714 0.000 1.296 526 Y HN 0.557 nan 8.280 nan 0.000 0.470 527 Q N 2.097 122.093 119.800 0.327 0.000 2.372 527 Q HA 0.738 5.077 4.340 -0.002 0.000 0.273 527 Q C -1.735 174.348 176.000 0.139 0.000 1.078 527 Q CA -1.110 54.756 55.803 0.105 0.000 0.806 527 Q CB 3.243 32.038 28.738 0.096 0.000 1.332 527 Q HN 0.862 nan 8.270 nan 0.000 0.435 528 M N 2.761 122.368 119.600 0.012 0.000 2.321 528 M HA 0.490 4.969 4.480 -0.002 0.000 0.315 528 M C -1.252 174.975 176.300 -0.121 0.000 1.052 528 M CA -0.678 54.593 55.300 -0.049 0.000 0.936 528 M CB 2.265 34.808 32.600 -0.094 0.000 1.639 528 M HN 0.660 nan 8.290 nan 0.000 0.433 529 I N 4.622 125.120 120.570 -0.120 0.000 2.312 529 I HA 0.358 4.527 4.170 -0.002 0.000 0.290 529 I C -0.924 175.053 176.117 -0.233 0.000 1.008 529 I CA -0.389 60.813 61.300 -0.163 0.000 1.226 529 I CB 0.799 38.724 38.000 -0.126 0.000 1.371 529 I HN 0.505 nan 8.210 nan 0.000 0.468 530 L N 8.588 129.626 121.223 -0.308 0.000 2.317 530 L HA 0.527 4.866 4.340 -0.002 0.000 0.281 530 L C -2.343 174.365 176.870 -0.271 0.000 1.024 530 L CA -2.111 52.471 54.840 -0.431 0.000 0.810 530 L CB 1.194 42.801 42.059 -0.753 0.000 1.240 530 L HN 0.259 nan 8.230 nan 0.000 0.427 531 P HA 0.047 nan 4.420 nan 0.000 0.267 531 P C -2.439 174.830 177.300 -0.051 0.000 1.200 531 P CA -0.797 62.251 63.100 -0.086 0.000 0.772 531 P CB -0.231 31.477 31.700 0.012 0.000 0.855 532 P HA -0.025 nan 4.420 nan 0.000 0.269 532 P C -0.295 176.971 177.300 -0.057 0.000 1.215 532 P CA 0.335 63.331 63.100 -0.173 0.000 0.780 532 P CB 0.004 31.476 31.700 -0.381 0.000 0.898 533 H N -2.581 116.530 119.070 0.069 0.000 2.862 533 H HA -0.209 4.345 4.556 -0.002 0.000 0.290 533 H C 0.188 175.575 175.328 0.098 0.000 1.211 533 H CA -0.501 55.588 56.048 0.068 0.000 1.140 533 H CB -2.107 27.689 29.762 0.057 0.000 1.341 533 H HN 0.342 nan 8.280 nan 0.000 0.392 534 F N 2.470 122.439 119.950 0.032 0.000 2.628 534 F HA 0.140 4.666 4.527 -0.002 0.000 0.362 534 F C 0.545 176.352 175.800 0.013 0.000 1.148 534 F CA 0.428 58.382 58.000 -0.078 0.000 1.352 534 F CB 0.628 39.478 39.000 -0.249 0.000 1.081 534 F HN 0.254 nan 8.300 nan 0.000 0.605 535 D N 4.656 124.541 120.400 -0.858 0.000 2.479 535 D HA 0.119 4.758 4.640 -0.002 0.000 0.246 535 D C 0.036 175.907 176.300 -0.716 0.000 1.336 535 D CA -0.590 53.076 54.000 -0.557 0.000 0.967 535 D CB 0.972 41.672 40.800 -0.167 0.000 1.275 535 D HN 0.648 nan 8.370 nan 0.000 0.577 536 K N 1.302 121.299 120.400 -0.672 0.000 2.585 536 K HA -0.070 4.249 4.320 -0.002 0.000 0.194 536 K C 0.947 177.530 176.600 -0.028 0.000 1.037 536 K CA 1.044 57.143 56.287 -0.313 0.000 0.964 536 K CB -0.064 32.404 32.500 -0.053 0.000 0.787 536 K HN 0.187 nan 8.250 nan 0.000 0.488 537 S N -0.459 115.190 115.700 -0.084 0.000 2.470 537 S HA 0.110 4.579 4.470 -0.002 0.000 0.222 537 S C 0.690 175.271 174.600 -0.033 0.000 1.024 537 S CA -0.379 57.802 58.200 -0.031 0.000 0.931 537 S CB 0.128 63.298 63.200 -0.050 0.000 0.791 537 S HN 0.088 nan 8.310 nan 0.000 0.513 538 K N 1.529 121.888 120.400 -0.069 0.000 2.109 538 K HA 0.439 4.758 4.320 -0.002 0.000 0.243 538 K C -0.546 175.995 176.600 -0.097 0.000 1.006 538 K CA -0.286 55.904 56.287 -0.162 0.000 0.917 538 K CB 0.655 32.937 32.500 -0.364 0.000 1.081 538 K HN 0.205 nan 8.250 nan 0.000 0.468 539 K N 1.926 122.204 120.400 -0.205 0.000 2.358 539 K HA 0.286 4.605 4.320 -0.002 0.000 0.260 539 K C -0.953 175.553 176.600 -0.157 0.000 0.956 539 K CA -0.518 55.740 56.287 -0.048 0.000 0.834 539 K CB 0.964 33.433 32.500 -0.052 0.000 1.102 539 K HN 0.357 nan 8.250 nan 0.000 0.431 540 Y N 2.441 122.778 120.300 0.061 0.000 2.457 540 Y HA 0.317 4.866 4.550 -0.002 0.000 0.333 540 Y C -1.984 173.866 175.900 -0.084 0.000 1.119 540 Y CA -2.682 55.427 58.100 0.015 0.000 1.143 540 Y CB 0.662 39.193 38.460 0.119 0.000 1.230 540 Y HN 0.470 nan 8.280 nan 0.000 0.469 541 P HA 0.255 nan 4.420 nan 0.000 0.274 541 P C -1.194 175.984 177.300 -0.203 0.000 1.231 541 P CA -0.309 62.546 63.100 -0.408 0.000 0.790 541 P CB 1.438 32.529 31.700 -1.016 0.000 0.951 542 L N 2.169 123.306 121.223 -0.143 0.000 2.409 542 L HA 0.489 4.828 4.340 -0.002 0.000 0.272 542 L C -1.184 175.855 176.870 0.282 0.000 0.980 542 L CA -0.866 54.025 54.840 0.085 0.000 0.826 542 L CB 1.525 43.647 42.059 0.105 0.000 1.268 542 L HN 0.225 nan 8.230 nan 0.000 0.407 543 L N 6.033 127.450 121.223 0.322 0.000 2.272 543 L HA 0.437 4.776 4.340 -0.002 0.000 0.289 543 L C -1.038 176.067 176.870 0.392 0.000 1.032 543 L CA -0.585 54.502 54.840 0.412 0.000 0.810 543 L CB 1.452 43.706 42.059 0.325 0.000 1.205 543 L HN 0.655 nan 8.230 nan 0.000 0.422 544 L N 4.854 126.354 121.223 0.461 0.000 2.257 544 L HA 0.268 4.607 4.340 -0.002 0.000 0.290 544 L C -0.622 176.493 176.870 0.409 0.000 1.044 544 L CA -0.334 54.768 54.840 0.437 0.000 0.810 544 L CB 1.412 43.763 42.059 0.487 0.000 1.193 544 L HN 0.580 nan 8.230 nan 0.000 0.425 545 D N 4.431 125.046 120.400 0.358 0.000 2.359 545 D HA 0.356 4.995 4.640 -0.002 0.000 0.230 545 D C -0.855 175.532 176.300 0.144 0.000 1.118 545 D CA -0.169 53.966 54.000 0.225 0.000 0.844 545 D CB 1.400 42.408 40.800 0.347 0.000 1.059 545 D HN 0.086 nan 8.370 nan 0.000 0.493 546 V N 4.973 124.905 119.914 0.030 0.000 2.715 546 V HA 0.347 4.466 4.120 -0.002 0.000 0.310 546 V C -0.315 175.868 176.094 0.149 0.000 1.054 546 V CA -0.659 61.715 62.300 0.123 0.000 0.928 546 V CB 1.556 33.447 31.823 0.114 0.000 1.007 546 V HN 0.633 nan 8.190 nan 0.000 0.437 547 Y N 2.926 123.298 120.300 0.121 0.000 3.224 547 Y HA 0.555 5.103 4.550 -0.002 0.000 0.184 547 Y C 1.551 177.598 175.900 0.245 0.000 0.891 547 Y CA 1.046 59.243 58.100 0.161 0.000 1.736 547 Y CB -0.041 38.493 38.460 0.123 0.000 1.411 547 Y HN 0.766 nan 8.280 nan 0.000 0.402 548 A N 0.826 123.737 122.820 0.152 0.000 2.887 548 A HA -0.133 4.186 4.320 -0.002 0.000 0.257 548 A C 0.902 178.303 177.584 -0.305 0.000 1.372 548 A CA 0.956 53.028 52.037 0.059 0.000 0.879 548 A CB -2.448 16.651 19.000 0.165 0.000 1.082 548 A HN 1.026 nan 8.150 nan 0.000 0.703 549 G N -0.885 107.418 108.800 -0.828 0.000 2.634 549 G HA2 0.500 4.459 3.960 -0.002 0.000 0.255 549 G HA3 0.500 4.459 3.960 -0.002 0.000 0.255 549 G C -2.216 172.371 174.900 -0.522 0.000 1.205 549 G CA -0.903 43.303 45.100 -1.490 0.000 0.884 549 G HN 0.285 nan 8.290 nan 0.000 0.549 550 P HA 0.100 nan 4.420 nan 0.000 0.260 550 P C 0.497 177.695 177.300 -0.171 0.000 1.172 550 P CA 0.115 62.962 63.100 -0.423 0.000 0.760 550 P CB 0.311 31.314 31.700 -1.161 0.000 0.773 551 C N 1.444 120.688 119.300 -0.093 0.000 4.933 551 C HA -0.168 4.290 4.460 -0.002 0.000 0.249 551 C C 1.274 176.268 174.990 0.006 0.000 1.406 551 C CA 1.056 59.964 59.018 -0.183 0.000 1.505 551 C CB -2.976 24.413 27.740 -0.584 0.000 1.870 551 C HN 0.762 nan 8.230 nan 0.000 0.651 552 S N 0.133 115.939 115.700 0.176 0.000 2.645 552 S HA 0.585 5.054 4.470 -0.002 0.000 0.266 552 S C -0.670 174.095 174.600 0.274 0.000 1.258 552 S CA -0.087 58.303 58.200 0.317 0.000 0.990 552 S CB 1.754 65.235 63.200 0.468 0.000 0.967 552 S HN 0.678 nan 8.310 nan 0.000 0.556 553 Q N -0.254 119.739 119.800 0.321 0.000 2.275 553 Q HA 0.375 4.714 4.340 -0.002 0.000 0.258 553 Q C -0.729 175.410 176.000 0.233 0.000 0.960 553 Q CA -0.681 55.299 55.803 0.295 0.000 0.801 553 Q CB 1.236 30.207 28.738 0.389 0.000 1.302 553 Q HN 0.656 nan 8.270 nan 0.000 0.433 554 K N 1.166 121.699 120.400 0.221 0.000 2.360 554 K HA 0.344 4.662 4.320 -0.002 0.000 0.196 554 K C -0.396 176.314 176.600 0.185 0.000 1.049 554 K CA 0.372 56.778 56.287 0.198 0.000 1.049 554 K CB 1.376 34.020 32.500 0.241 0.000 0.881 554 K HN 0.567 nan 8.250 nan 0.000 0.542 555 A N 2.850 125.790 122.820 0.200 0.000 2.253 555 A HA 0.434 4.753 4.320 -0.002 0.000 0.316 555 A C -0.670 176.984 177.584 0.116 0.000 1.327 555 A CA -0.402 51.750 52.037 0.192 0.000 0.917 555 A CB 0.156 19.333 19.000 0.295 0.000 1.162 555 A HN 0.269 nan 8.150 nan 0.000 0.535 556 D N -0.019 120.422 120.400 0.068 0.000 2.768 556 D HA 0.357 4.996 4.640 -0.002 0.000 0.327 556 D C 0.166 176.469 176.300 0.004 0.000 1.302 556 D CA 0.276 54.299 54.000 0.038 0.000 0.897 556 D CB 0.198 41.026 40.800 0.046 0.000 1.420 556 D HN 0.209 nan 8.370 nan 0.000 0.494 557 T N -2.059 112.509 114.554 0.024 0.000 3.223 557 T HA 0.376 4.724 4.350 -0.002 0.000 0.259 557 T C 0.355 175.006 174.700 -0.081 0.000 1.015 557 T CA -0.402 61.706 62.100 0.012 0.000 0.908 557 T CB -0.720 68.200 68.868 0.087 0.000 1.054 557 T HN 0.284 nan 8.240 nan 0.000 0.567 558 V N 2.414 122.180 119.914 -0.247 0.000 2.614 558 V HA 0.345 4.464 4.120 -0.002 0.000 0.291 558 V C 0.095 176.122 176.094 -0.112 0.000 1.049 558 V CA -1.018 61.100 62.300 -0.303 0.000 1.038 558 V CB 0.262 31.777 31.823 -0.513 0.000 0.980 558 V HN 0.560 nan 8.190 nan 0.000 0.481 559 F N 6.268 126.119 119.950 -0.165 0.000 2.445 559 F HA 0.521 5.046 4.527 -0.002 0.000 0.359 559 F C 0.520 176.265 175.800 -0.091 0.000 1.101 559 F CA -0.115 57.817 58.000 -0.113 0.000 1.177 559 F CB 0.181 39.125 39.000 -0.093 0.000 1.110 559 F HN 0.424 nan 8.300 nan 0.000 0.522 560 R N 6.376 126.340 120.500 -0.892 0.000 2.686 560 R HA 0.545 4.883 4.340 -0.002 0.000 0.283 560 R C -1.611 174.249 176.300 -0.734 0.000 0.978 560 R CA -1.065 54.687 56.100 -0.580 0.000 0.897 560 R CB 2.125 32.257 30.300 -0.281 0.000 1.192 560 R HN 0.646 nan 8.270 nan 0.000 0.457 561 L N 4.224 125.220 121.223 -0.378 0.000 2.301 561 L HA 0.411 4.749 4.340 -0.002 0.000 0.278 561 L C -0.562 176.306 176.870 -0.003 0.000 1.022 561 L CA -0.605 54.083 54.840 -0.254 0.000 0.854 561 L CB 0.549 42.598 42.059 -0.016 0.000 1.226 561 L HN 0.755 nan 8.230 nan 0.000 0.429 562 N N 0.468 119.099 118.700 -0.115 0.000 3.418 562 N HA 0.151 4.890 4.740 -0.002 0.000 0.316 562 N C 0.155 175.396 175.510 -0.447 0.000 1.601 562 N CA -0.893 52.032 53.050 -0.209 0.000 0.805 562 N CB 0.200 38.651 38.487 -0.059 0.000 1.873 562 N HN 0.301 nan 8.380 nan 0.000 0.615 563 W N 0.735 121.499 121.300 -0.893 0.000 2.358 563 W HA 0.168 4.827 4.660 -0.002 0.000 0.303 563 W C 2.096 178.561 176.519 -0.091 0.000 1.208 563 W CA 2.985 60.000 57.345 -0.549 0.000 1.274 563 W CB -1.030 28.211 29.460 -0.366 0.000 1.138 563 W HN 0.710 nan 8.180 nan 0.000 0.515 564 A N -0.385 122.400 122.820 -0.058 0.000 1.986 564 A HA -0.249 4.070 4.320 -0.002 0.000 0.220 564 A C 1.940 179.412 177.584 -0.186 0.000 1.171 564 A CA 2.579 54.515 52.037 -0.170 0.000 0.640 564 A CB -1.320 17.674 19.000 -0.011 0.000 0.811 564 A HN 0.325 nan 8.150 nan 0.000 0.451 565 T N -1.376 113.089 114.554 -0.149 0.000 2.674 565 T HA -0.195 4.154 4.350 -0.002 0.000 0.265 565 T C 1.804 176.521 174.700 0.030 0.000 1.039 565 T CA 1.779 63.765 62.100 -0.189 0.000 1.150 565 T CB -0.472 68.117 68.868 -0.466 0.000 0.864 565 T HN 0.700 nan 8.240 nan 0.000 0.427 566 Y N 2.039 122.418 120.300 0.131 0.000 2.145 566 Y HA -0.068 4.481 4.550 -0.002 0.000 0.286 566 Y C 1.992 177.881 175.900 -0.018 0.000 1.145 566 Y CA 1.001 59.210 58.100 0.182 0.000 1.148 566 Y CB -0.855 37.703 38.460 0.163 0.000 0.981 566 Y HN 0.129 nan 8.280 nan 0.000 0.507 567 L N 0.207 120.956 121.223 -0.790 0.000 2.043 567 L HA -0.267 4.071 4.340 -0.002 0.000 0.212 567 L C 2.810 179.425 176.870 -0.425 0.000 1.075 567 L CA 1.438 55.767 54.840 -0.850 0.000 0.752 567 L CB -1.024 40.588 42.059 -0.745 0.000 0.891 567 L HN 0.450 nan 8.230 nan 0.000 0.432 568 A N -1.237 121.417 122.820 -0.277 0.000 1.872 568 A HA -0.179 4.140 4.320 -0.002 0.000 0.214 568 A C 2.519 180.038 177.584 -0.108 0.000 1.187 568 A CA 1.803 53.740 52.037 -0.167 0.000 0.614 568 A CB -0.522 18.380 19.000 -0.163 0.000 0.826 568 A HN 0.374 nan 8.150 nan 0.000 0.442 569 S N -1.408 114.253 115.700 -0.065 0.000 2.377 569 S HA -0.079 4.390 4.470 -0.002 0.000 0.223 569 S C 1.951 176.575 174.600 0.039 0.000 1.030 569 S CA 2.019 60.224 58.200 0.009 0.000 0.970 569 S CB -0.388 62.875 63.200 0.104 0.000 0.830 569 S HN 0.525 nan 8.310 nan 0.000 0.473 570 T N 1.399 115.983 114.554 0.049 0.000 2.983 570 T HA 0.183 4.532 4.350 -0.002 0.000 0.250 570 T C 1.404 176.110 174.700 0.009 0.000 1.037 570 T CA 0.642 62.794 62.100 0.087 0.000 1.142 570 T CB -0.119 68.912 68.868 0.272 0.000 0.876 570 T HN 0.311 nan 8.240 nan 0.000 0.455 571 E N 1.274 121.393 120.200 -0.136 0.000 2.474 571 E HA 0.152 4.501 4.350 -0.002 0.000 0.194 571 E C 0.145 176.733 176.600 -0.021 0.000 1.041 571 E CA -0.027 56.322 56.400 -0.086 0.000 0.874 571 E CB -0.048 29.542 29.700 -0.185 0.000 0.914 571 E HN 0.313 nan 8.360 nan 0.000 0.498 572 N N 0.539 119.233 118.700 -0.012 0.000 2.754 572 N HA -0.191 4.548 4.740 -0.002 0.000 0.248 572 N C -0.650 174.930 175.510 0.118 0.000 1.093 572 N CA 0.581 53.686 53.050 0.092 0.000 0.699 572 N CB -1.643 36.934 38.487 0.151 0.000 1.016 572 N HN 0.254 nan 8.380 nan 0.000 0.552 573 I N 0.972 121.547 120.570 0.008 0.000 2.392 573 I HA 0.339 4.508 4.170 -0.002 0.000 0.295 573 I C 1.080 177.182 176.117 -0.024 0.000 0.985 573 I CA -0.658 60.651 61.300 0.015 0.000 1.221 573 I CB 1.311 39.321 38.000 0.016 0.000 1.366 573 I HN -0.040 nan 8.210 nan 0.000 0.467 574 I N 6.280 126.851 120.570 0.001 0.000 2.496 574 I HA 0.144 4.313 4.170 -0.002 0.000 0.285 574 I C -0.421 175.692 176.117 -0.006 0.000 1.080 574 I CA -0.285 60.983 61.300 -0.054 0.000 1.404 574 I CB 1.031 39.017 38.000 -0.023 0.000 1.403 574 I HN 0.203 nan 8.210 nan 0.000 0.539 575 V N 6.861 126.756 119.914 -0.031 0.000 2.334 575 V HA 0.588 4.707 4.120 -0.002 0.000 0.281 575 V C 0.246 176.378 176.094 0.065 0.000 1.016 575 V CA -0.433 61.893 62.300 0.044 0.000 0.832 575 V CB 1.177 33.011 31.823 0.018 0.000 0.999 575 V HN 0.833 nan 8.190 nan 0.000 0.439 576 A N 4.139 127.036 122.820 0.129 0.000 2.337 576 A HA 0.964 5.283 4.320 -0.002 0.000 0.331 576 A C -0.153 177.612 177.584 0.302 0.000 1.137 576 A CA -0.493 51.632 52.037 0.146 0.000 0.807 576 A CB 1.643 20.624 19.000 -0.031 0.000 1.250 576 A HN 0.711 nan 8.150 nan 0.000 0.468 577 S N -0.130 115.785 115.700 0.358 0.000 2.569 577 S HA 0.794 5.263 4.470 -0.002 0.000 0.280 577 S C -1.403 173.559 174.600 0.603 0.000 1.111 577 S CA -0.363 58.093 58.200 0.428 0.000 0.887 577 S CB 1.446 64.834 63.200 0.314 0.000 1.095 577 S HN 0.808 nan 8.310 nan 0.000 0.476 578 F N 1.521 121.705 119.950 0.390 0.000 2.574 578 F HA 0.456 4.982 4.527 -0.002 0.000 0.313 578 F C -1.698 174.304 175.800 0.336 0.000 1.130 578 F CA -0.782 57.465 58.000 0.412 0.000 0.936 578 F CB 1.565 40.767 39.000 0.338 0.000 1.219 578 F HN 0.417 nan 8.300 nan 0.000 0.445 579 D N 4.471 124.671 120.400 -0.334 0.000 2.467 579 D HA 0.394 5.033 4.640 -0.002 0.000 0.220 579 D C 0.364 176.367 176.300 -0.495 0.000 1.103 579 D CA 0.180 54.070 54.000 -0.183 0.000 0.886 579 D CB 1.414 42.270 40.800 0.093 0.000 1.025 579 D HN 0.753 nan 8.370 nan 0.000 0.514 580 G N 1.303 109.907 108.800 -0.326 0.000 2.606 580 G HA2 0.325 4.284 3.960 -0.002 0.000 0.262 580 G HA3 0.325 4.284 3.960 -0.002 0.000 0.262 580 G C 0.139 175.070 174.900 0.052 0.000 1.394 580 G CA -0.734 44.233 45.100 -0.221 0.000 1.044 580 G HN 0.290 nan 8.290 nan 0.000 0.553 581 R N -0.973 119.547 120.500 0.033 0.000 2.640 581 R HA 0.355 4.694 4.340 -0.002 0.000 0.270 581 R C 1.334 177.731 176.300 0.160 0.000 1.024 581 R CA 1.639 57.838 56.100 0.165 0.000 1.085 581 R CB 0.375 30.757 30.300 0.137 0.000 0.963 581 R HN 1.101 nan 8.270 nan 0.000 0.426 582 G N 0.919 109.809 108.800 0.149 0.000 2.234 582 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.235 582 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.235 582 G C 0.155 175.093 174.900 0.063 0.000 0.997 582 G CA 0.199 45.368 45.100 0.115 0.000 0.623 582 G HN 0.751 nan 8.290 nan 0.000 0.514 583 S N 0.307 116.056 115.700 0.082 0.000 2.589 583 S HA 0.644 5.113 4.470 -0.002 0.000 0.265 583 S C 0.880 175.478 174.600 -0.004 0.000 1.342 583 S CA 0.541 58.782 58.200 0.068 0.000 1.005 583 S CB 1.716 64.987 63.200 0.117 0.000 0.909 583 S HN 1.689 nan 8.310 nan 0.000 0.555 584 G N -0.940 107.822 108.800 -0.064 0.000 2.552 584 G HA2 0.500 4.459 3.960 -0.002 0.000 0.318 584 G HA3 0.500 4.459 3.960 -0.002 0.000 0.318 584 G C -0.957 173.836 174.900 -0.178 0.000 1.240 584 G CA -1.028 43.888 45.100 -0.306 0.000 1.002 584 G HN 0.924 nan 8.290 nan 0.000 0.493 585 Y N -2.293 118.004 120.300 -0.004 0.000 4.604 585 Y HA -0.219 4.330 4.550 -0.002 0.000 0.230 585 Y C 1.467 177.374 175.900 0.012 0.000 1.066 585 Y CA 1.158 59.262 58.100 0.006 0.000 1.990 585 Y CB -2.106 36.374 38.460 0.034 0.000 1.619 585 Y HN 0.549 nan 8.280 nan 0.000 0.649 586 Q N -0.174 119.659 119.800 0.054 0.000 2.112 586 Q HA 0.513 4.852 4.340 -0.002 0.000 0.222 586 Q C 0.952 176.885 176.000 -0.112 0.000 0.798 586 Q CA 0.242 56.090 55.803 0.074 0.000 1.060 586 Q CB 1.661 30.441 28.738 0.070 0.000 1.184 586 Q HN 0.567 nan 8.270 nan 0.000 0.475 587 G N 0.646 109.239 108.800 -0.345 0.000 2.619 587 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.686 587 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.686 587 G C -0.585 173.945 174.900 -0.616 0.000 1.256 587 G CA -0.575 44.025 45.100 -0.833 0.000 0.826 587 G HN 0.086 nan 8.290 nan 0.000 0.619 588 D N -0.245 119.735 120.400 -0.700 0.000 2.224 588 D HA -0.029 4.610 4.640 -0.002 0.000 0.205 588 D C 2.223 178.220 176.300 -0.504 0.000 0.965 588 D CA 1.247 54.783 54.000 -0.774 0.000 0.852 588 D CB 0.054 40.349 40.800 -0.843 0.000 0.947 588 D HN 0.589 nan 8.370 nan 0.000 0.494 589 K N 0.578 120.759 120.400 -0.365 0.000 2.063 589 K HA -0.112 4.207 4.320 -0.002 0.000 0.208 589 K C 2.008 178.536 176.600 -0.120 0.000 1.048 589 K CA 0.985 57.157 56.287 -0.191 0.000 0.928 589 K CB -0.070 32.340 32.500 -0.151 0.000 0.713 589 K HN 0.090 nan 8.250 nan 0.000 0.442 590 I N 0.339 120.828 120.570 -0.135 0.000 2.333 590 I HA -0.195 3.974 4.170 -0.002 0.000 0.246 590 I C 2.614 178.722 176.117 -0.015 0.000 1.106 590 I CA 0.811 62.102 61.300 -0.016 0.000 1.411 590 I CB -0.054 37.954 38.000 0.013 0.000 1.082 590 I HN 0.307 nan 8.210 nan 0.000 0.420 591 M N -0.098 119.416 119.600 -0.144 0.000 2.175 591 M HA -0.204 4.275 4.480 -0.002 0.000 0.264 591 M C 1.850 178.165 176.300 0.026 0.000 1.063 591 M CA 1.763 56.993 55.300 -0.116 0.000 1.119 591 M CB -0.133 32.288 32.600 -0.299 0.000 1.377 591 M HN 0.244 nan 8.290 nan 0.000 0.415 592 H N -0.622 118.350 119.070 -0.162 0.000 2.539 592 H HA 0.292 4.846 4.556 -0.002 0.000 0.267 592 H C 1.778 177.128 175.328 0.037 0.000 0.982 592 H CA 0.663 56.615 56.048 -0.160 0.000 1.146 592 H CB -0.326 29.270 29.762 -0.276 0.000 1.382 592 H HN 0.442 nan 8.280 nan 0.000 0.577 593 A N 0.342 123.273 122.820 0.185 0.000 2.125 593 A HA -0.078 4.241 4.320 -0.002 0.000 0.219 593 A C 1.900 179.684 177.584 0.333 0.000 1.156 593 A CA 0.962 53.124 52.037 0.208 0.000 0.671 593 A CB -0.344 18.742 19.000 0.144 0.000 0.794 593 A HN 0.257 nan 8.150 nan 0.000 0.459 594 I N -0.394 120.354 120.570 0.296 0.000 3.928 594 I HA 0.100 4.268 4.170 -0.002 0.000 0.335 594 I C 0.449 176.678 176.117 0.187 0.000 1.325 594 I CA -0.359 61.082 61.300 0.235 0.000 1.107 594 I CB -0.327 37.791 38.000 0.197 0.000 1.014 594 I HN 0.222 nan 8.210 nan 0.000 0.400 595 N N 1.775 120.639 118.700 0.274 0.000 2.292 595 N HA -0.122 4.617 4.740 -0.002 0.000 0.258 595 N C 0.708 176.273 175.510 0.091 0.000 1.261 595 N CA 0.752 53.966 53.050 0.273 0.000 0.845 595 N CB 0.160 38.761 38.487 0.191 0.000 1.064 595 N HN 0.150 nan 8.380 nan 0.000 0.471 596 R N 0.569 121.099 120.500 0.051 0.000 3.989 596 R HA -0.263 4.076 4.340 -0.002 0.000 0.335 596 R C -0.302 175.930 176.300 -0.114 0.000 1.223 596 R CA 1.400 57.487 56.100 -0.021 0.000 0.962 596 R CB -1.051 29.251 30.300 0.003 0.000 1.393 596 R HN 0.655 nan 8.270 nan 0.000 0.554 597 R N 0.548 120.959 120.500 -0.147 0.000 2.772 597 R HA 0.267 4.606 4.340 -0.002 0.000 0.358 597 R C -0.362 175.934 176.300 -0.007 0.000 1.143 597 R CA -0.399 55.465 56.100 -0.394 0.000 1.153 597 R CB 0.648 30.707 30.300 -0.402 0.000 1.329 597 R HN 0.028 nan 8.270 nan 0.000 0.615 598 L N 0.186 121.482 121.223 0.122 0.000 2.485 598 L HA 0.155 4.494 4.340 -0.002 0.000 0.275 598 L C 1.334 178.454 176.870 0.416 0.000 1.207 598 L CA 0.837 55.770 54.840 0.154 0.000 0.855 598 L CB 0.511 42.446 42.059 -0.207 0.000 1.114 598 L HN 0.682 nan 8.230 nan 0.000 0.485 599 G N 1.066 110.122 108.800 0.428 0.000 2.132 599 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.234 599 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.234 599 G C 0.422 175.409 174.900 0.145 0.000 0.989 599 G CA 0.454 45.759 45.100 0.341 0.000 0.676 599 G HN 0.803 nan 8.290 nan 0.000 0.522 600 T N -3.009 111.578 114.554 0.055 0.000 3.330 600 T HA 0.466 4.815 4.350 -0.002 0.000 0.185 600 T C 1.674 176.337 174.700 -0.062 0.000 0.874 600 T CA 0.939 62.959 62.100 -0.132 0.000 1.268 600 T CB -0.119 68.465 68.868 -0.474 0.000 1.866 600 T HN 0.131 nan 8.240 nan 0.000 0.395 601 F N 3.401 123.395 119.950 0.072 0.000 2.171 601 F HA 0.061 4.587 4.527 -0.002 0.000 0.300 601 F C 2.816 178.655 175.800 0.064 0.000 1.090 601 F CA 1.067 59.099 58.000 0.053 0.000 1.293 601 F CB -0.759 38.269 39.000 0.046 0.000 1.013 601 F HN 0.515 nan 8.300 nan 0.000 0.486 602 E N 0.921 121.275 120.200 0.257 0.000 2.110 602 E HA -0.150 4.199 4.350 -0.002 0.000 0.193 602 E C 2.104 178.811 176.600 0.178 0.000 0.988 602 E CA 1.747 58.275 56.400 0.213 0.000 0.804 602 E CB -1.036 28.799 29.700 0.225 0.000 0.745 602 E HN 0.301 nan 8.360 nan 0.000 0.458 603 V N 1.841 121.836 119.914 0.134 0.000 2.239 603 V HA -0.227 3.892 4.120 -0.002 0.000 0.242 603 V C 2.464 178.597 176.094 0.065 0.000 1.038 603 V CA 2.183 64.518 62.300 0.059 0.000 1.002 603 V CB -0.758 31.057 31.823 -0.014 0.000 0.641 603 V HN 0.209 nan 8.190 nan 0.000 0.449 604 E N 0.169 120.418 120.200 0.083 0.000 2.147 604 E HA -0.284 4.065 4.350 -0.002 0.000 0.199 604 E C 1.910 178.543 176.600 0.055 0.000 1.005 604 E CA 1.686 58.133 56.400 0.078 0.000 0.810 604 E CB -0.212 29.567 29.700 0.132 0.000 0.736 604 E HN 0.598 nan 8.360 nan 0.000 0.460 605 D N 0.012 120.464 120.400 0.086 0.000 2.178 605 D HA -0.120 4.519 4.640 -0.002 0.000 0.202 605 D C 1.975 178.288 176.300 0.021 0.000 0.974 605 D CA 0.676 54.708 54.000 0.054 0.000 0.841 605 D CB -0.082 40.790 40.800 0.121 0.000 0.953 605 D HN 0.123 nan 8.370 nan 0.000 0.478 606 Q N 0.224 120.087 119.800 0.106 0.000 2.079 606 Q HA -0.039 4.300 4.340 -0.002 0.000 0.200 606 Q C 2.568 178.595 176.000 0.046 0.000 0.974 606 Q CA 0.530 56.392 55.803 0.098 0.000 0.840 606 Q CB -0.165 28.660 28.738 0.146 0.000 0.898 606 Q HN 0.412 nan 8.270 nan 0.000 0.430 607 I N 0.764 121.386 120.570 0.086 0.000 2.179 607 I HA -0.272 3.897 4.170 -0.002 0.000 0.242 607 I C 2.386 178.453 176.117 -0.083 0.000 1.088 607 I CA 1.251 62.636 61.300 0.142 0.000 1.357 607 I CB -0.161 37.912 38.000 0.122 0.000 1.051 607 I HN 0.167 nan 8.210 nan 0.000 0.409 608 E N 1.308 121.413 120.200 -0.158 0.000 2.150 608 E HA -0.176 4.173 4.350 -0.002 0.000 0.193 608 E C 2.060 178.359 176.600 -0.502 0.000 0.985 608 E CA 1.480 57.722 56.400 -0.263 0.000 0.814 608 E CB -0.118 29.461 29.700 -0.202 0.000 0.752 608 E HN 0.421 nan 8.360 nan 0.000 0.466 609 A N 0.768 123.134 122.820 -0.756 0.000 1.902 609 A HA -0.039 4.280 4.320 -0.002 0.000 0.217 609 A C 2.448 179.219 177.584 -1.354 0.000 1.181 609 A CA 1.985 53.224 52.037 -1.330 0.000 0.623 609 A CB -1.019 16.874 19.000 -1.845 0.000 0.818 609 A HN 0.380 nan 8.150 nan 0.000 0.443 610 A N -0.272 122.118 122.820 -0.716 0.000 1.902 610 A HA -0.170 4.149 4.320 -0.002 0.000 0.217 610 A C 2.247 179.584 177.584 -0.411 0.000 1.181 610 A CA 1.505 53.277 52.037 -0.442 0.000 0.623 610 A CB -0.482 18.341 19.000 -0.295 0.000 0.818 610 A HN 0.541 nan 8.150 nan 0.000 0.443 611 R N -0.692 119.574 120.500 -0.391 0.000 2.081 611 R HA -0.134 4.205 4.340 -0.002 0.000 0.235 611 R C 2.367 178.494 176.300 -0.290 0.000 1.131 611 R CA 1.501 57.424 56.100 -0.294 0.000 0.960 611 R CB -0.303 29.856 30.300 -0.235 0.000 0.856 611 R HN 0.614 nan 8.270 nan 0.000 0.436 612 Q N -0.409 119.148 119.800 -0.405 0.000 2.167 612 Q HA -0.112 4.227 4.340 -0.002 0.000 0.202 612 Q C 1.882 177.743 176.000 -0.232 0.000 0.970 612 Q CA 1.103 56.701 55.803 -0.341 0.000 0.855 612 Q CB -0.026 28.454 28.738 -0.429 0.000 0.911 612 Q HN 0.297 nan 8.270 nan 0.000 0.438 613 F N 0.773 120.554 119.950 -0.283 0.000 2.325 613 F HA -0.052 4.473 4.527 -0.002 0.000 0.299 613 F C 2.454 178.070 175.800 -0.307 0.000 1.090 613 F CA 0.460 58.282 58.000 -0.297 0.000 1.392 613 F CB -0.696 38.169 39.000 -0.227 0.000 1.053 613 F HN -0.062 nan 8.300 nan 0.000 0.521 614 S N -0.016 115.626 115.700 -0.097 0.000 2.368 614 S HA -0.147 4.322 4.470 -0.002 0.000 0.224 614 S C 1.945 176.454 174.600 -0.152 0.000 1.029 614 S CA 0.850 58.969 58.200 -0.135 0.000 0.988 614 S CB -0.180 62.935 63.200 -0.141 0.000 0.838 614 S HN 0.313 nan 8.310 nan 0.000 0.462 615 K N 1.124 121.439 120.400 -0.141 0.000 1.988 615 K HA -0.098 4.221 4.320 -0.002 0.000 0.221 615 K C 0.514 177.025 176.600 -0.148 0.000 1.053 615 K CA 0.993 57.208 56.287 -0.121 0.000 0.959 615 K CB -0.521 31.918 32.500 -0.102 0.000 0.728 615 K HN 0.336 nan 8.250 nan 0.000 0.447 616 M N 1.457 120.944 119.600 -0.189 0.000 2.408 616 M HA -0.121 4.358 4.480 -0.002 0.000 0.444 616 M C 0.972 177.030 176.300 -0.404 0.000 1.600 616 M CA 0.332 55.455 55.300 -0.296 0.000 0.884 616 M CB -0.045 32.261 32.600 -0.489 0.000 2.081 616 M HN 0.349 nan 8.290 nan 0.000 0.510 617 G N 3.602 112.295 108.800 -0.177 0.000 3.135 617 G HA2 0.086 4.045 3.960 -0.002 0.000 0.208 617 G HA3 0.086 4.045 3.960 -0.002 0.000 0.208 617 G C 0.412 175.323 174.900 0.018 0.000 1.212 617 G CA -0.155 44.899 45.100 -0.078 0.000 0.928 617 G HN 0.882 nan 8.290 nan 0.000 0.500 618 F N -1.854 118.159 119.950 0.104 0.000 2.698 618 F HA 0.603 5.128 4.527 -0.002 0.000 0.304 618 F C -0.278 175.649 175.800 0.212 0.000 1.108 618 F CA -1.435 56.668 58.000 0.171 0.000 1.263 618 F CB 0.067 39.226 39.000 0.264 0.000 1.013 618 F HN -0.147 nan 8.300 nan 0.000 0.532 619 V N 1.375 121.295 119.914 0.010 0.000 2.555 619 V HA 0.262 4.380 4.120 -0.002 0.000 0.302 619 V C -0.896 175.191 176.094 -0.012 0.000 1.038 619 V CA -0.737 61.583 62.300 0.034 0.000 0.887 619 V CB 1.798 33.571 31.823 -0.083 0.000 0.991 619 V HN 0.123 nan 8.190 nan 0.000 0.434 620 D N 3.276 123.666 120.400 -0.017 0.000 2.336 620 D HA 0.092 4.731 4.640 -0.002 0.000 0.249 620 D C 1.233 177.490 176.300 -0.071 0.000 1.213 620 D CA -0.115 53.850 54.000 -0.059 0.000 0.870 620 D CB 0.562 41.307 40.800 -0.090 0.000 1.076 620 D HN 0.692 nan 8.370 nan 0.000 0.483 621 N N 2.803 121.461 118.700 -0.069 0.000 2.521 621 N HA -0.081 4.657 4.740 -0.002 0.000 0.188 621 N C 0.484 175.957 175.510 -0.061 0.000 1.146 621 N CA -0.009 52.994 53.050 -0.078 0.000 0.893 621 N CB 0.260 38.691 38.487 -0.093 0.000 0.975 621 N HN 0.285 nan 8.380 nan 0.000 0.451 622 K N 0.362 120.735 120.400 -0.045 0.000 2.400 622 K HA 0.142 4.461 4.320 -0.002 0.000 0.194 622 K C 0.322 176.933 176.600 0.018 0.000 1.033 622 K CA 0.324 56.602 56.287 -0.015 0.000 1.021 622 K CB 0.395 32.888 32.500 -0.012 0.000 0.808 622 K HN 0.128 nan 8.250 nan 0.000 0.505 623 R N 1.425 121.910 120.500 -0.024 0.000 2.564 623 R HA 0.371 4.710 4.340 -0.002 0.000 0.282 623 R C -0.995 175.303 176.300 -0.004 0.000 1.573 623 R CA -0.114 55.975 56.100 -0.018 0.000 1.588 623 R CB 0.577 30.692 30.300 -0.308 0.000 1.154 623 R HN 0.012 nan 8.270 nan 0.000 0.606 624 I N 1.159 121.845 120.570 0.194 0.000 2.436 624 I HA 0.584 4.753 4.170 -0.002 0.000 0.289 624 I C -0.165 176.239 176.117 0.478 0.000 1.010 624 I CA -0.839 60.606 61.300 0.242 0.000 1.098 624 I CB 2.031 40.026 38.000 -0.008 0.000 1.266 624 I HN 0.367 nan 8.210 nan 0.000 0.434 625 A N 6.781 129.968 122.820 0.612 0.000 2.435 625 A HA 0.938 5.257 4.320 -0.002 0.000 0.296 625 A C -1.243 176.689 177.584 0.581 0.000 1.147 625 A CA -0.657 51.714 52.037 0.556 0.000 0.775 625 A CB 2.211 21.435 19.000 0.373 0.000 1.340 625 A HN 0.739 nan 8.150 nan 0.000 0.427 626 I N 0.379 121.199 120.570 0.417 0.000 2.722 626 I HA 0.727 4.896 4.170 -0.002 0.000 0.295 626 I C -1.855 174.510 176.117 0.415 0.000 1.161 626 I CA -0.563 60.925 61.300 0.312 0.000 1.032 626 I CB 1.666 39.592 38.000 -0.123 0.000 1.244 626 I HN 0.936 nan 8.210 nan 0.000 0.421 627 W N 7.043 128.469 121.300 0.210 0.000 3.118 627 W HA 0.862 5.521 4.660 -0.002 0.000 0.328 627 W C -1.381 175.287 176.519 0.248 0.000 1.239 627 W CA -0.858 56.623 57.345 0.227 0.000 1.176 627 W CB 1.073 30.719 29.460 0.310 0.000 1.433 627 W HN 0.858 nan 8.180 nan 0.000 0.562 628 G N 0.549 109.317 108.800 -0.055 0.000 2.523 628 G HA2 0.449 4.408 3.960 -0.002 0.000 0.291 628 G HA3 0.449 4.408 3.960 -0.002 0.000 0.291 628 G C -2.848 172.012 174.900 -0.068 0.000 1.450 628 G CA -0.773 44.094 45.100 -0.387 0.000 0.790 628 G HN 0.612 nan 8.290 nan 0.000 0.496 629 W N 0.726 121.908 121.300 -0.196 0.000 2.785 629 W HA 0.605 5.264 4.660 -0.002 0.000 0.333 629 W C 0.758 177.315 176.519 0.063 0.000 1.062 629 W CA 0.441 57.757 57.345 -0.048 0.000 1.233 629 W CB 1.878 31.304 29.460 -0.056 0.000 1.413 629 W HN 1.147 nan 8.180 nan 0.000 0.489 630 S N 2.154 118.063 115.700 0.349 0.000 4.140 630 S HA -0.422 4.047 4.470 -0.002 0.000 0.618 630 S C 1.088 175.785 174.600 0.162 0.000 1.896 630 S CA 1.768 60.173 58.200 0.343 0.000 4.240 630 S CB -1.770 61.772 63.200 0.572 0.000 0.208 630 S HN 0.724 nan 8.310 nan 0.000 0.487 631 Y N 2.427 122.742 120.300 0.025 0.000 2.256 631 Y HA -0.035 4.514 4.550 -0.002 0.000 0.288 631 Y C 2.313 178.151 175.900 -0.103 0.000 1.155 631 Y CA 2.543 60.566 58.100 -0.128 0.000 1.203 631 Y CB -0.980 37.190 38.460 -0.484 0.000 0.980 631 Y HN 0.503 nan 8.280 nan 0.000 0.530 632 G N -1.132 107.702 108.800 0.058 0.000 2.422 632 G HA2 -0.202 3.756 3.960 -0.002 0.000 0.218 632 G HA3 -0.202 3.756 3.960 -0.002 0.000 0.218 632 G C 1.916 176.843 174.900 0.045 0.000 1.140 632 G CA 0.697 45.843 45.100 0.077 0.000 0.775 632 G HN 0.572 nan 8.290 nan 0.000 0.545 633 G N -0.099 108.738 108.800 0.061 0.000 2.402 633 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.216 633 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.216 633 G C 1.596 176.514 174.900 0.029 0.000 1.162 633 G CA 1.090 46.213 45.100 0.038 0.000 0.777 633 G HN 0.413 nan 8.290 nan 0.000 0.539 634 Y N 1.399 121.600 120.300 -0.164 0.000 2.114 634 Y HA -0.142 4.407 4.550 -0.002 0.000 0.284 634 Y C 2.795 178.588 175.900 -0.178 0.000 1.143 634 Y CA 1.748 59.696 58.100 -0.252 0.000 1.135 634 Y CB -0.531 37.628 38.460 -0.502 0.000 0.980 634 Y HN 0.025 nan 8.280 nan 0.000 0.499 635 V N -0.343 119.412 119.914 -0.266 0.000 2.407 635 V HA -0.316 3.803 4.120 -0.002 0.000 0.248 635 V C 2.341 178.306 176.094 -0.214 0.000 1.055 635 V CA 2.367 64.509 62.300 -0.263 0.000 1.049 635 V CB -1.163 30.656 31.823 -0.007 0.000 0.662 635 V HN 0.496 nan 8.190 nan 0.000 0.455 636 T N -0.106 114.378 114.554 -0.118 0.000 2.720 636 T HA -0.190 4.159 4.350 -0.002 0.000 0.268 636 T C 2.110 176.726 174.700 -0.140 0.000 1.037 636 T CA 2.073 64.115 62.100 -0.096 0.000 1.144 636 T CB -0.222 68.674 68.868 0.047 0.000 0.864 636 T HN 0.540 nan 8.240 nan 0.000 0.444 637 S N 0.737 116.384 115.700 -0.088 0.000 2.406 637 S HA 0.072 4.541 4.470 -0.002 0.000 0.228 637 S C 2.075 176.563 174.600 -0.187 0.000 1.020 637 S CA 0.692 58.859 58.200 -0.054 0.000 0.965 637 S CB -0.177 63.077 63.200 0.091 0.000 0.798 637 S HN 0.323 nan 8.310 nan 0.000 0.488 638 M N 0.933 120.348 119.600 -0.309 0.000 2.200 638 M HA 0.009 4.487 4.480 -0.002 0.000 0.265 638 M C 2.165 178.292 176.300 -0.287 0.000 1.066 638 M CA 1.033 56.142 55.300 -0.320 0.000 1.127 638 M CB -1.254 31.067 32.600 -0.465 0.000 1.379 638 M HN 0.175 nan 8.290 nan 0.000 0.420 639 V N 0.783 120.515 119.914 -0.303 0.000 2.307 639 V HA -0.244 3.874 4.120 -0.002 0.000 0.245 639 V C 2.509 178.376 176.094 -0.379 0.000 1.045 639 V CA 1.396 63.511 62.300 -0.309 0.000 1.024 639 V CB -0.718 30.843 31.823 -0.436 0.000 0.651 639 V HN 0.390 nan 8.190 nan 0.000 0.449 640 L N 0.605 121.530 121.223 -0.498 0.000 2.127 640 L HA -0.096 4.243 4.340 -0.002 0.000 0.211 640 L C 2.239 178.613 176.870 -0.827 0.000 1.089 640 L CA 1.668 56.141 54.840 -0.611 0.000 0.757 640 L CB -0.805 40.812 42.059 -0.736 0.000 0.899 640 L HN 0.487 nan 8.230 nan 0.000 0.434 641 G N -1.398 106.847 108.800 -0.925 0.000 3.233 641 G HA2 -0.024 3.934 3.960 -0.002 0.000 0.227 641 G HA3 -0.024 3.934 3.960 -0.002 0.000 0.227 641 G C 1.403 176.135 174.900 -0.280 0.000 1.175 641 G CA 0.555 45.235 45.100 -0.701 0.000 0.781 641 G HN 0.438 nan 8.290 nan 0.000 0.542 642 S N -0.900 114.663 115.700 -0.229 0.000 2.528 642 S HA 0.319 4.788 4.470 -0.002 0.000 0.219 642 S C 1.858 176.413 174.600 -0.076 0.000 0.985 642 S CA 0.867 58.997 58.200 -0.116 0.000 0.914 642 S CB -0.003 63.145 63.200 -0.085 0.000 0.776 642 S HN 1.316 nan 8.310 nan 0.000 0.526 643 G N 1.695 110.439 108.800 -0.094 0.000 2.160 643 G HA2 -0.345 3.614 3.960 -0.002 0.000 0.251 643 G HA3 -0.345 3.614 3.960 -0.002 0.000 0.251 643 G C 0.940 175.828 174.900 -0.020 0.000 1.008 643 G CA 0.873 45.942 45.100 -0.052 0.000 0.724 643 G HN 1.231 nan 8.290 nan 0.000 0.514 644 S N -0.799 114.900 115.700 -0.001 0.000 2.423 644 S HA 0.271 4.740 4.470 -0.002 0.000 0.231 644 S C 2.620 177.224 174.600 0.006 0.000 1.014 644 S CA 1.745 59.956 58.200 0.018 0.000 0.965 644 S CB -0.285 62.957 63.200 0.070 0.000 0.785 644 S HN 2.432 nan 8.310 nan 0.000 0.495 645 G N -0.042 108.769 108.800 0.019 0.000 2.212 645 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.266 645 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.266 645 G C 0.825 175.713 174.900 -0.021 0.000 0.978 645 G CA 0.457 45.560 45.100 0.005 0.000 0.632 645 G HN 0.725 nan 8.290 nan 0.000 0.537 646 V N -0.298 119.587 119.914 -0.049 0.000 2.453 646 V HA 0.230 4.349 4.120 -0.002 0.000 0.247 646 V C 1.298 177.189 176.094 -0.338 0.000 1.048 646 V CA 1.634 63.781 62.300 -0.255 0.000 1.049 646 V CB -0.415 31.135 31.823 -0.454 0.000 0.672 646 V HN 0.309 nan 8.190 nan 0.000 0.457 647 F N -0.340 119.614 119.950 0.007 0.000 2.422 647 F HA 0.425 4.951 4.527 -0.002 0.000 0.333 647 F C 1.068 176.902 175.800 0.058 0.000 1.095 647 F CA -0.671 57.359 58.000 0.050 0.000 1.038 647 F CB 1.425 40.457 39.000 0.054 0.000 1.156 647 F HN -0.280 nan 8.300 nan 0.000 0.483 648 K N 1.001 121.566 120.400 0.273 0.000 2.166 648 K HA 0.170 4.489 4.320 -0.002 0.000 0.201 648 K C -0.267 176.455 176.600 0.204 0.000 1.052 648 K CA 0.784 57.190 56.287 0.198 0.000 0.969 648 K CB 0.311 32.926 32.500 0.192 0.000 0.761 648 K HN 0.803 nan 8.250 nan 0.000 0.459 649 c N -2.878 115.879 118.600 0.262 0.000 3.321 649 c HA 0.897 5.466 4.570 -0.002 0.000 0.329 649 c C -0.291 174.005 174.090 0.343 0.000 1.394 649 c CA -0.570 55.931 56.329 0.286 0.000 1.291 649 c CB 1.094 43.704 42.510 0.166 0.000 1.606 649 c HN 0.356 nan 8.230 nan 0.000 0.463 650 G N -0.033 109.031 108.800 0.439 0.000 2.601 650 G HA2 0.688 4.647 3.960 -0.002 0.000 0.291 650 G HA3 0.688 4.647 3.960 -0.002 0.000 0.291 650 G C -2.048 173.083 174.900 0.385 0.000 1.456 650 G CA -0.688 44.646 45.100 0.391 0.000 0.804 650 G HN 1.044 nan 8.290 nan 0.000 0.499 651 I N 0.565 121.336 120.570 0.336 0.000 2.498 651 I HA 0.626 4.794 4.170 -0.002 0.000 0.290 651 I C 0.101 176.355 176.117 0.228 0.000 1.032 651 I CA -1.036 60.359 61.300 0.158 0.000 1.073 651 I CB 2.253 40.325 38.000 0.120 0.000 1.251 651 I HN 0.681 nan 8.210 nan 0.000 0.426 652 A N 6.479 129.332 122.820 0.055 0.000 2.291 652 A HA 0.760 5.079 4.320 -0.002 0.000 0.311 652 A C -0.767 176.741 177.584 -0.128 0.000 1.224 652 A CA -0.498 51.568 52.037 0.049 0.000 0.821 652 A CB 1.101 20.199 19.000 0.164 0.000 1.172 652 A HN 0.440 nan 8.150 nan 0.000 0.494 653 V N 2.162 121.954 119.914 -0.204 0.000 2.384 653 V HA 0.570 4.688 4.120 -0.002 0.000 0.287 653 V C 0.944 176.663 176.094 -0.625 0.000 1.020 653 V CA 0.289 62.252 62.300 -0.562 0.000 0.850 653 V CB 0.790 31.979 31.823 -1.056 0.000 0.987 653 V HN 2.071 nan 8.190 nan 0.000 0.436 654 A N 5.778 128.214 122.820 -0.639 0.000 2.415 654 A HA -0.103 4.216 4.320 -0.002 0.000 0.292 654 A C -1.881 175.528 177.584 -0.293 0.000 1.452 654 A CA 0.254 51.800 52.037 -0.819 0.000 0.750 654 A CB -1.569 17.091 19.000 -0.567 0.000 1.099 654 A HN 0.609 nan 8.150 nan 0.000 0.391 655 P HA 0.394 nan 4.420 nan 0.000 0.278 655 P C 0.239 177.501 177.300 -0.064 0.000 1.238 655 P CA -0.149 62.924 63.100 -0.045 0.000 0.794 655 P CB 1.175 32.875 31.700 0.000 0.000 0.955 656 V N 2.423 122.204 119.914 -0.221 0.000 2.686 656 V HA 0.075 4.194 4.120 -0.002 0.000 0.295 656 V C 1.647 177.535 176.094 -0.343 0.000 1.055 656 V CA 1.033 63.054 62.300 -0.466 0.000 1.050 656 V CB 0.789 31.983 31.823 -1.049 0.000 0.984 656 V HN 0.832 nan 8.190 nan 0.000 0.482 657 S N 4.095 119.633 115.700 -0.269 0.000 2.589 657 S HA 0.318 4.787 4.470 -0.002 0.000 0.235 657 S C 0.487 174.937 174.600 -0.251 0.000 1.051 657 S CA -0.386 57.736 58.200 -0.130 0.000 0.978 657 S CB 0.346 63.534 63.200 -0.021 0.000 0.929 657 S HN 0.705 nan 8.310 nan 0.000 0.523 658 R N -0.843 119.386 120.500 -0.451 0.000 2.536 658 R HA 0.310 4.649 4.340 -0.002 0.000 0.269 658 R C -1.184 174.808 176.300 -0.512 0.000 1.113 658 R CA -0.642 55.139 56.100 -0.531 0.000 0.948 658 R CB 0.372 30.294 30.300 -0.630 0.000 1.237 658 R HN 0.248 nan 8.270 nan 0.000 0.441 659 W N 1.993 123.221 121.300 -0.120 0.000 2.425 659 W HA 0.006 4.665 4.660 -0.002 0.000 0.277 659 W C 1.315 177.971 176.519 0.227 0.000 1.231 659 W CA 0.521 57.878 57.345 0.020 0.000 1.248 659 W CB 0.367 29.733 29.460 -0.157 0.000 1.117 659 W HN 0.697 nan 8.180 nan 0.000 0.568 660 E N -0.761 119.634 120.200 0.325 0.000 2.333 660 E HA -0.205 4.144 4.350 -0.002 0.000 0.198 660 E C 1.344 178.064 176.600 0.199 0.000 1.007 660 E CA 0.923 57.432 56.400 0.182 0.000 0.845 660 E CB -0.240 29.444 29.700 -0.027 0.000 0.766 660 E HN 0.367 nan 8.360 nan 0.000 0.507 661 Y N -1.398 118.994 120.300 0.154 0.000 2.519 661 Y HA 0.023 4.572 4.550 -0.002 0.000 0.287 661 Y C 0.774 176.785 175.900 0.186 0.000 1.128 661 Y CA -0.137 58.030 58.100 0.111 0.000 1.282 661 Y CB -0.390 38.077 38.460 0.011 0.000 1.027 661 Y HN 0.027 nan 8.280 nan 0.000 0.551 662 Y N 1.823 122.275 120.300 0.254 0.000 2.392 662 Y HA 0.290 4.839 4.550 -0.002 0.000 0.323 662 Y C 0.297 176.391 175.900 0.323 0.000 1.291 662 Y CA -2.191 56.057 58.100 0.247 0.000 1.345 662 Y CB 0.332 38.960 38.460 0.280 0.000 1.320 662 Y HN 0.183 nan 8.280 nan 0.000 0.518 663 D N -0.601 119.426 120.400 -0.623 0.000 2.357 663 D HA 0.102 4.741 4.640 -0.002 0.000 0.242 663 D C 0.960 177.187 176.300 -0.123 0.000 1.153 663 D CA 0.338 54.085 54.000 -0.421 0.000 0.918 663 D CB 0.887 41.237 40.800 -0.750 0.000 1.181 663 D HN 0.476 nan 8.370 nan 0.000 0.435 664 S N 0.951 116.602 115.700 -0.081 0.000 2.359 664 S HA -0.223 4.245 4.470 -0.002 0.000 0.224 664 S C 1.910 176.518 174.600 0.015 0.000 1.035 664 S CA 1.197 59.412 58.200 0.025 0.000 1.018 664 S CB -0.980 62.246 63.200 0.042 0.000 0.876 664 S HN 0.426 nan 8.310 nan 0.000 0.448 665 V N 0.645 120.510 119.914 -0.082 0.000 2.343 665 V HA -0.143 3.976 4.120 -0.002 0.000 0.247 665 V C 2.307 178.334 176.094 -0.112 0.000 1.051 665 V CA 2.138 64.326 62.300 -0.187 0.000 1.036 665 V CB -1.010 30.571 31.823 -0.403 0.000 0.654 665 V HN 0.629 nan 8.190 nan 0.000 0.451 666 Y N 1.106 121.339 120.300 -0.112 0.000 2.243 666 Y HA -0.161 4.388 4.550 -0.002 0.000 0.293 666 Y C 2.653 178.550 175.900 -0.006 0.000 1.124 666 Y CA 2.070 60.175 58.100 0.009 0.000 1.159 666 Y CB -0.384 38.251 38.460 0.290 0.000 1.008 666 Y HN 0.207 nan 8.280 nan 0.000 0.527 667 T N 0.307 115.056 114.554 0.326 0.000 2.737 667 T HA -0.172 4.177 4.350 -0.002 0.000 0.265 667 T C 1.528 176.192 174.700 -0.059 0.000 1.038 667 T CA 1.896 64.128 62.100 0.220 0.000 1.144 667 T CB -0.254 68.872 68.868 0.430 0.000 0.866 667 T HN 0.412 nan 8.240 nan 0.000 0.434 668 E N 0.540 120.732 120.200 -0.013 0.000 2.268 668 E HA -0.024 4.325 4.350 -0.002 0.000 0.195 668 E C 2.471 178.952 176.600 -0.199 0.000 0.995 668 E CA 0.294 56.682 56.400 -0.019 0.000 0.836 668 E CB -0.028 29.709 29.700 0.063 0.000 0.763 668 E HN 0.248 nan 8.360 nan 0.000 0.491 669 R N 0.035 120.267 120.500 -0.446 0.000 2.083 669 R HA -0.169 4.170 4.340 -0.002 0.000 0.237 669 R C 1.569 177.342 176.300 -0.879 0.000 1.137 669 R CA 1.595 57.242 56.100 -0.755 0.000 0.951 669 R CB -0.095 29.376 30.300 -1.381 0.000 0.851 669 R HN 0.303 nan 8.270 nan 0.000 0.434 670 Y N -1.996 117.946 120.300 -0.597 0.000 2.510 670 Y HA 0.144 4.693 4.550 -0.002 0.000 0.273 670 Y C 1.798 177.476 175.900 -0.370 0.000 1.119 670 Y CA 0.277 58.010 58.100 -0.611 0.000 1.286 670 Y CB 0.313 38.298 38.460 -0.790 0.000 1.061 670 Y HN -0.066 nan 8.280 nan 0.000 0.542 671 M N -0.637 118.826 119.600 -0.227 0.000 2.306 671 M HA 0.359 4.837 4.480 -0.002 0.000 0.292 671 M C 1.032 177.335 176.300 0.005 0.000 1.018 671 M CA 0.653 55.822 55.300 -0.218 0.000 1.007 671 M CB -0.050 32.187 32.600 -0.606 0.000 1.510 671 M HN 0.322 nan 8.290 nan 0.000 0.537 672 G N 2.005 110.828 108.800 0.039 0.000 2.601 672 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.252 672 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.252 672 G C -0.508 174.530 174.900 0.228 0.000 1.294 672 G CA -0.665 44.502 45.100 0.113 0.000 0.912 672 G HN 0.354 nan 8.290 nan 0.000 0.574 673 L N 2.003 123.330 121.223 0.174 0.000 2.343 673 L HA 0.474 4.813 4.340 -0.002 0.000 0.275 673 L C -1.491 175.382 176.870 0.005 0.000 1.056 673 L CA -1.829 53.071 54.840 0.100 0.000 0.804 673 L CB 2.126 44.201 42.059 0.026 0.000 1.203 673 L HN 0.469 nan 8.230 nan 0.000 0.440 674 P HA 0.095 nan 4.420 nan 0.000 0.214 674 P C -0.660 176.482 177.300 -0.263 0.000 1.826 674 P CA -0.146 62.546 63.100 -0.680 0.000 0.977 674 P CB -0.257 30.675 31.700 -1.281 0.000 1.930 675 T N -2.424 112.065 114.554 -0.108 0.000 2.930 675 T HA 0.484 4.833 4.350 -0.002 0.000 0.290 675 T C -2.215 172.477 174.700 -0.014 0.000 1.052 675 T CA -2.457 59.610 62.100 -0.055 0.000 1.017 675 T CB 1.535 70.383 68.868 -0.033 0.000 1.137 675 T HN -0.282 nan 8.240 nan 0.000 0.511 676 P HA -0.119 nan 4.420 nan 0.000 0.218 676 P C 1.335 178.645 177.300 0.017 0.000 1.148 676 P CA 1.054 64.159 63.100 0.009 0.000 0.822 676 P CB 0.102 31.804 31.700 0.004 0.000 0.784 677 E N -1.334 118.873 120.200 0.012 0.000 2.299 677 E HA -0.110 4.239 4.350 -0.002 0.000 0.193 677 E C 1.097 177.712 176.600 0.025 0.000 0.998 677 E CA 0.717 57.126 56.400 0.015 0.000 0.851 677 E CB -0.167 29.537 29.700 0.007 0.000 0.795 677 E HN 0.117 nan 8.360 nan 0.000 0.492 678 D N 0.811 121.231 120.400 0.033 0.000 2.970 678 D HA 0.042 4.681 4.640 -0.002 0.000 0.236 678 D C 0.543 176.896 176.300 0.088 0.000 1.415 678 D CA 0.134 54.166 54.000 0.054 0.000 1.279 678 D CB -0.083 40.749 40.800 0.053 0.000 0.932 678 D HN 0.091 nan 8.370 nan 0.000 0.216 679 N N 0.055 118.838 118.700 0.138 0.000 2.365 679 N HA 0.048 4.787 4.740 -0.002 0.000 0.257 679 N C 1.179 176.869 175.510 0.300 0.000 1.287 679 N CA -0.133 53.050 53.050 0.221 0.000 0.882 679 N CB 0.747 39.395 38.487 0.268 0.000 1.250 679 N HN 0.015 nan 8.380 nan 0.000 0.507 680 L N 1.242 122.559 121.223 0.157 0.000 2.013 680 L HA -0.176 4.163 4.340 -0.002 0.000 0.212 680 L C 1.445 178.410 176.870 0.159 0.000 1.073 680 L CA 2.028 56.933 54.840 0.108 0.000 0.753 680 L CB -0.456 41.612 42.059 0.015 0.000 0.890 680 L HN 0.157 nan 8.230 nan 0.000 0.432 681 D N -1.475 119.007 120.400 0.137 0.000 2.106 681 D HA -0.266 4.373 4.640 -0.002 0.000 0.191 681 D C 2.143 178.546 176.300 0.171 0.000 0.997 681 D CA 1.847 55.924 54.000 0.127 0.000 0.834 681 D CB -0.263 40.602 40.800 0.108 0.000 0.956 681 D HN 0.561 nan 8.370 nan 0.000 0.448 682 H N -0.986 118.153 119.070 0.115 0.000 2.428 682 H HA -0.064 4.491 4.556 -0.002 0.000 0.296 682 H C 1.653 177.063 175.328 0.136 0.000 1.062 682 H CA 1.191 57.291 56.048 0.088 0.000 1.350 682 H CB -0.354 29.425 29.762 0.029 0.000 1.403 682 H HN 0.183 nan 8.280 nan 0.000 0.533 683 Y N -0.038 120.238 120.300 -0.039 0.000 2.256 683 Y HA -0.158 4.391 4.550 -0.002 0.000 0.288 683 Y C 2.413 178.273 175.900 -0.067 0.000 1.155 683 Y CA 1.474 59.555 58.100 -0.033 0.000 1.203 683 Y CB 0.083 38.561 38.460 0.030 0.000 0.980 683 Y HN 0.091 nan 8.280 nan 0.000 0.530 684 R N -0.620 119.943 120.500 0.105 0.000 2.173 684 R HA -0.017 4.322 4.340 -0.002 0.000 0.208 684 R C 1.604 177.906 176.300 0.003 0.000 1.035 684 R CA 0.750 56.876 56.100 0.043 0.000 1.004 684 R CB -0.129 30.196 30.300 0.042 0.000 0.917 684 R HN 0.090 nan 8.270 nan 0.000 0.462 685 N N -0.368 118.323 118.700 -0.015 0.000 2.336 685 N HA -0.037 4.702 4.740 -0.002 0.000 0.189 685 N C -0.158 175.322 175.510 -0.050 0.000 1.113 685 N CA 0.427 53.472 53.050 -0.008 0.000 0.858 685 N CB 0.406 38.927 38.487 0.057 0.000 0.970 685 N HN 0.109 nan 8.380 nan 0.000 0.471 686 S N -1.516 114.112 115.700 -0.119 0.000 2.651 686 S HA 0.148 4.616 4.470 -0.002 0.000 0.246 686 S C 0.343 174.986 174.600 0.072 0.000 1.039 686 S CA -0.633 57.541 58.200 -0.044 0.000 1.013 686 S CB -0.681 62.408 63.200 -0.185 0.000 0.861 686 S HN 0.210 nan 8.310 nan 0.000 0.485 687 T N -1.514 113.043 114.554 0.006 0.000 2.922 687 T HA 0.531 4.879 4.350 -0.002 0.000 0.285 687 T C 1.291 175.990 174.700 -0.003 0.000 1.005 687 T CA -0.616 61.475 62.100 -0.015 0.000 1.061 687 T CB 1.372 70.204 68.868 -0.060 0.000 1.007 687 T HN -0.036 nan 8.240 nan 0.000 0.502 688 V N 1.839 121.748 119.914 -0.008 0.000 2.453 688 V HA -0.107 4.012 4.120 -0.002 0.000 0.247 688 V C 2.587 178.656 176.094 -0.041 0.000 1.048 688 V CA 1.486 63.772 62.300 -0.023 0.000 1.049 688 V CB -0.946 30.858 31.823 -0.032 0.000 0.672 688 V HN 0.814 nan 8.190 nan 0.000 0.457 689 M N 1.165 120.728 119.600 -0.061 0.000 2.149 689 M HA -0.153 4.326 4.480 -0.002 0.000 0.261 689 M C 2.323 178.599 176.300 -0.041 0.000 1.064 689 M CA 2.109 57.364 55.300 -0.075 0.000 1.102 689 M CB -0.934 31.633 32.600 -0.055 0.000 1.369 689 M HN 0.528 nan 8.290 nan 0.000 0.408 690 S N -0.473 115.216 115.700 -0.019 0.000 2.507 690 S HA -0.052 4.417 4.470 -0.002 0.000 0.235 690 S C 1.735 176.345 174.600 0.016 0.000 0.988 690 S CA 0.592 58.790 58.200 -0.003 0.000 0.944 690 S CB -0.439 62.760 63.200 -0.001 0.000 0.762 690 S HN 0.517 nan 8.310 nan 0.000 0.526 691 R N 0.597 121.122 120.500 0.040 0.000 2.388 691 R HA 0.445 4.784 4.340 -0.002 0.000 0.247 691 R C 2.136 178.543 176.300 0.178 0.000 0.931 691 R CA 0.397 56.549 56.100 0.087 0.000 1.082 691 R CB -0.273 30.076 30.300 0.082 0.000 1.135 691 R HN 0.476 nan 8.270 nan 0.000 0.525 692 A N 1.955 124.824 122.820 0.082 0.000 1.884 692 A HA -0.256 4.063 4.320 -0.002 0.000 0.219 692 A C 1.828 179.497 177.584 0.142 0.000 1.197 692 A CA 1.533 53.589 52.037 0.031 0.000 0.637 692 A CB -0.216 18.744 19.000 -0.067 0.000 0.827 692 A HN 0.238 nan 8.150 nan 0.000 0.450 693 E N 0.056 120.313 120.200 0.095 0.000 2.130 693 E HA -0.204 4.145 4.350 -0.002 0.000 0.196 693 E C 1.607 178.271 176.600 0.105 0.000 0.998 693 E CA 1.313 57.765 56.400 0.085 0.000 0.806 693 E CB -0.464 29.267 29.700 0.053 0.000 0.738 693 E HN 0.622 nan 8.360 nan 0.000 0.459 694 N N 0.295 119.058 118.700 0.105 0.000 2.381 694 N HA -0.099 4.640 4.740 -0.002 0.000 0.182 694 N C 1.390 176.908 175.510 0.013 0.000 1.025 694 N CA 0.512 53.579 53.050 0.027 0.000 0.888 694 N CB -0.384 38.072 38.487 -0.052 0.000 0.965 694 N HN 0.144 nan 8.380 nan 0.000 0.438 695 F N 1.883 121.792 119.950 -0.069 0.000 2.641 695 F HA -0.049 4.476 4.527 -0.002 0.000 0.298 695 F C 1.968 177.775 175.800 0.011 0.000 1.146 695 F CA 0.566 58.522 58.000 -0.075 0.000 1.464 695 F CB -0.193 38.721 39.000 -0.144 0.000 1.101 695 F HN 0.167 nan 8.300 nan 0.000 0.585 696 K N -0.038 120.461 120.400 0.165 0.000 2.439 696 K HA -0.119 4.200 4.320 -0.002 0.000 0.197 696 K C 1.290 177.948 176.600 0.097 0.000 1.041 696 K CA 1.011 57.378 56.287 0.133 0.000 0.970 696 K CB -0.339 32.222 32.500 0.102 0.000 0.773 696 K HN 0.330 nan 8.250 nan 0.000 0.479 697 Q N 1.237 121.074 119.800 0.062 0.000 2.360 697 Q HA 0.067 4.405 4.340 -0.002 0.000 0.202 697 Q C 0.352 176.386 176.000 0.057 0.000 0.915 697 Q CA 0.102 55.931 55.803 0.043 0.000 0.943 697 Q CB 0.875 29.619 28.738 0.009 0.000 1.064 697 Q HN 0.357 nan 8.270 nan 0.000 0.511 698 V N -3.510 116.452 119.914 0.080 0.000 3.182 698 V HA 0.487 4.606 4.120 -0.002 0.000 0.308 698 V C -1.566 174.650 176.094 0.203 0.000 1.240 698 V CA -1.272 61.096 62.300 0.114 0.000 1.063 698 V CB 2.276 34.133 31.823 0.057 0.000 1.076 698 V HN -0.033 nan 8.190 nan 0.000 0.446 699 E N 1.226 121.579 120.200 0.254 0.000 2.151 699 E HA 0.539 4.888 4.350 -0.002 0.000 0.275 699 E C -1.900 175.042 176.600 0.571 0.000 0.936 699 E CA -0.407 56.218 56.400 0.375 0.000 0.777 699 E CB 2.038 31.907 29.700 0.282 0.000 1.108 699 E HN 0.681 nan 8.360 nan 0.000 0.401 700 Y N 2.983 123.526 120.300 0.404 0.000 2.462 700 Y HA 0.522 5.071 4.550 -0.002 0.000 0.346 700 Y C -1.787 174.179 175.900 0.111 0.000 0.976 700 Y CA -1.616 56.657 58.100 0.289 0.000 1.044 700 Y CB 1.269 39.933 38.460 0.341 0.000 1.230 700 Y HN 0.465 nan 8.280 nan 0.000 0.455 701 L N 7.292 128.288 121.223 -0.379 0.000 2.376 701 L HA 0.652 4.991 4.340 -0.002 0.000 0.275 701 L C -2.248 174.211 176.870 -0.685 0.000 0.987 701 L CA -0.764 53.706 54.840 -0.617 0.000 0.828 701 L CB 1.483 42.886 42.059 -1.093 0.000 1.249 701 L HN 0.651 nan 8.230 nan 0.000 0.409 702 L N 6.434 127.310 121.223 -0.578 0.000 2.341 702 L HA 0.743 5.081 4.340 -0.002 0.000 0.278 702 L C -1.226 175.517 176.870 -0.211 0.000 1.005 702 L CA -0.055 54.480 54.840 -0.509 0.000 0.818 702 L CB 1.353 43.086 42.059 -0.544 0.000 1.259 702 L HN 0.607 nan 8.230 nan 0.000 0.418 703 I N 4.189 124.658 120.570 -0.168 0.000 2.686 703 I HA 0.482 4.650 4.170 -0.002 0.000 0.295 703 I C -1.246 174.879 176.117 0.013 0.000 1.114 703 I CA -0.734 60.534 61.300 -0.053 0.000 1.038 703 I CB 2.215 40.151 38.000 -0.107 0.000 1.238 703 I HN 0.692 nan 8.210 nan 0.000 0.420 704 H N 1.808 120.945 119.070 0.112 0.000 3.112 704 H HA 0.493 5.048 4.556 -0.002 0.000 0.347 704 H C -0.478 175.090 175.328 0.401 0.000 1.188 704 H CA -0.598 55.565 56.048 0.192 0.000 1.240 704 H CB 2.076 31.896 29.762 0.097 0.000 1.920 704 H HN 0.766 nan 8.280 nan 0.000 0.535 705 G N 0.544 109.699 108.800 0.592 0.000 2.395 705 G HA2 0.257 4.216 3.960 -0.002 0.000 0.283 705 G HA3 0.257 4.216 3.960 -0.002 0.000 0.283 705 G C 1.068 176.233 174.900 0.442 0.000 1.178 705 G CA 0.115 45.504 45.100 0.481 0.000 0.837 705 G HN 0.723 nan 8.290 nan 0.000 0.518 706 T N -1.187 113.468 114.554 0.169 0.000 3.067 706 T HA 0.174 4.523 4.350 -0.002 0.000 0.261 706 T C 1.611 176.283 174.700 -0.047 0.000 1.110 706 T CA 1.114 63.124 62.100 -0.151 0.000 1.113 706 T CB 0.247 68.954 68.868 -0.269 0.000 0.917 706 T HN 0.681 nan 8.240 nan 0.000 0.499 707 A N 1.184 124.056 122.820 0.085 0.000 2.708 707 A HA 0.331 4.650 4.320 -0.002 0.000 0.293 707 A C 0.319 177.874 177.584 -0.047 0.000 1.303 707 A CA -0.519 51.544 52.037 0.043 0.000 0.949 707 A CB -0.335 18.951 19.000 0.478 0.000 1.121 707 A HN 0.354 nan 8.150 nan 0.000 0.542 708 D N 1.633 122.025 120.400 -0.013 0.000 2.342 708 D HA 0.007 4.646 4.640 -0.002 0.000 0.260 708 D C 0.235 176.504 176.300 -0.053 0.000 1.278 708 D CA 0.068 54.152 54.000 0.140 0.000 0.910 708 D CB 0.680 41.710 40.800 0.383 0.000 1.079 708 D HN 0.549 nan 8.370 nan 0.000 0.496 709 D N 1.999 122.422 120.400 0.039 0.000 2.340 709 D HA -0.069 4.570 4.640 -0.002 0.000 0.220 709 D C 0.818 177.094 176.300 -0.040 0.000 1.039 709 D CA 0.003 53.969 54.000 -0.056 0.000 0.866 709 D CB 0.293 41.035 40.800 -0.096 0.000 0.913 709 D HN 0.495 nan 8.370 nan 0.000 0.523 710 N N -0.113 118.646 118.700 0.098 0.000 2.804 710 N HA -0.011 4.728 4.740 -0.002 0.000 0.233 710 N C -0.406 175.066 175.510 -0.063 0.000 1.020 710 N CA -0.083 53.079 53.050 0.187 0.000 1.164 710 N CB 1.008 39.653 38.487 0.262 0.000 1.571 710 N HN -0.189 nan 8.380 nan 0.000 0.551 711 V N 2.784 122.598 119.914 -0.167 0.000 2.320 711 V HA 0.233 4.352 4.120 -0.002 0.000 0.265 711 V C -0.853 175.262 176.094 0.036 0.000 1.048 711 V CA -0.335 61.901 62.300 -0.106 0.000 0.865 711 V CB -0.121 31.622 31.823 -0.135 0.000 1.043 711 V HN 0.328 nan 8.190 nan 0.000 0.474 712 H N 3.312 122.363 119.070 -0.032 0.000 2.871 712 H HA 0.005 4.560 4.556 -0.002 0.000 0.355 712 H C 0.805 175.979 175.328 -0.256 0.000 1.092 712 H CA -0.085 55.864 56.048 -0.166 0.000 1.420 712 H CB 0.814 30.399 29.762 -0.294 0.000 1.400 712 H HN 0.629 nan 8.280 nan 0.000 0.604 713 F N 2.019 121.763 119.950 -0.343 0.000 2.154 713 F HA -0.319 4.207 4.527 -0.002 0.000 0.301 713 F C 2.603 178.096 175.800 -0.512 0.000 1.087 713 F CA 1.858 59.424 58.000 -0.723 0.000 1.274 713 F CB -0.209 38.567 39.000 -0.373 0.000 1.009 713 F HN 0.679 nan 8.300 nan 0.000 0.485 714 Q N 0.148 119.794 119.800 -0.257 0.000 2.207 714 Q HA -0.353 3.986 4.340 -0.002 0.000 0.215 714 Q C 2.077 177.799 176.000 -0.464 0.000 1.006 714 Q CA 2.586 58.181 55.803 -0.347 0.000 0.903 714 Q CB -0.371 28.143 28.738 -0.372 0.000 0.947 714 Q HN 0.625 nan 8.270 nan 0.000 0.414 715 Q N -0.551 119.008 119.800 -0.401 0.000 2.084 715 Q HA -0.100 4.239 4.340 -0.002 0.000 0.202 715 Q C 2.255 178.119 176.000 -0.226 0.000 0.978 715 Q CA 1.652 57.329 55.803 -0.210 0.000 0.844 715 Q CB -0.036 28.680 28.738 -0.037 0.000 0.898 715 Q HN 0.333 nan 8.270 nan 0.000 0.426 716 S N 0.873 116.333 115.700 -0.400 0.000 2.414 716 S HA 0.002 4.471 4.470 -0.002 0.000 0.227 716 S C 2.069 176.398 174.600 -0.452 0.000 1.022 716 S CA 0.687 58.662 58.200 -0.374 0.000 0.958 716 S CB -0.087 62.880 63.200 -0.387 0.000 0.797 716 S HN 0.458 nan 8.310 nan 0.000 0.493 717 A N 1.405 123.851 122.820 -0.624 0.000 1.978 717 A HA -0.146 4.173 4.320 -0.002 0.000 0.220 717 A C 2.123 179.588 177.584 -0.198 0.000 1.170 717 A CA 1.181 52.998 52.037 -0.366 0.000 0.636 717 A CB -0.374 18.463 19.000 -0.272 0.000 0.810 717 A HN 0.363 nan 8.150 nan 0.000 0.448 718 Q N -0.606 119.081 119.800 -0.188 0.000 2.187 718 Q HA 0.053 4.392 4.340 -0.002 0.000 0.199 718 Q C 2.120 178.057 176.000 -0.103 0.000 0.957 718 Q CA 0.823 56.573 55.803 -0.089 0.000 0.857 718 Q CB -0.246 28.501 28.738 0.014 0.000 0.929 718 Q HN 0.777 nan 8.270 nan 0.000 0.453 719 I N 1.191 121.671 120.570 -0.149 0.000 2.179 719 I HA -0.281 3.888 4.170 -0.002 0.000 0.242 719 I C 2.569 178.523 176.117 -0.273 0.000 1.088 719 I CA 1.507 62.683 61.300 -0.207 0.000 1.357 719 I CB -0.459 37.421 38.000 -0.199 0.000 1.051 719 I HN 0.188 nan 8.210 nan 0.000 0.409 720 S N 0.989 116.551 115.700 -0.230 0.000 2.368 720 S HA -0.286 4.183 4.470 -0.002 0.000 0.225 720 S C 2.058 176.630 174.600 -0.047 0.000 1.030 720 S CA 1.529 59.635 58.200 -0.158 0.000 0.999 720 S CB -0.463 62.767 63.200 0.051 0.000 0.844 720 S HN 0.403 nan 8.310 nan 0.000 0.459 721 K N 1.463 121.833 120.400 -0.049 0.000 2.148 721 K HA 0.097 4.416 4.320 -0.002 0.000 0.204 721 K C 2.198 178.779 176.600 -0.032 0.000 1.050 721 K CA 0.978 57.256 56.287 -0.016 0.000 0.942 721 K CB -0.561 31.925 32.500 -0.022 0.000 0.724 721 K HN 0.472 nan 8.250 nan 0.000 0.446 722 A N 0.977 123.749 122.820 -0.082 0.000 1.968 722 A HA -0.032 4.287 4.320 -0.002 0.000 0.217 722 A C 1.988 179.512 177.584 -0.100 0.000 1.169 722 A CA 0.895 52.880 52.037 -0.087 0.000 0.638 722 A CB -0.400 18.534 19.000 -0.110 0.000 0.812 722 A HN 0.293 nan 8.150 nan 0.000 0.446 723 L N -0.657 120.467 121.223 -0.165 0.000 2.156 723 L HA -0.108 4.230 4.340 -0.002 0.000 0.208 723 L C 2.407 179.316 176.870 0.065 0.000 1.095 723 L CA 0.639 55.403 54.840 -0.127 0.000 0.770 723 L CB -0.506 41.340 42.059 -0.356 0.000 0.914 723 L HN 0.216 nan 8.230 nan 0.000 0.439 724 V N -0.223 119.754 119.914 0.104 0.000 2.307 724 V HA -0.252 3.867 4.120 -0.002 0.000 0.245 724 V C 1.944 178.075 176.094 0.061 0.000 1.045 724 V CA 1.796 64.166 62.300 0.116 0.000 1.024 724 V CB -0.457 31.432 31.823 0.109 0.000 0.651 724 V HN 0.415 nan 8.190 nan 0.000 0.449 725 D N -0.274 120.145 120.400 0.032 0.000 2.309 725 D HA -0.087 4.552 4.640 -0.002 0.000 0.212 725 D C 1.633 177.948 176.300 0.024 0.000 0.968 725 D CA 0.894 54.906 54.000 0.021 0.000 0.882 725 D CB 0.127 40.932 40.800 0.008 0.000 0.918 725 D HN 0.356 nan 8.370 nan 0.000 0.503 726 V N -0.542 119.388 119.914 0.027 0.000 3.483 726 V HA 0.234 4.353 4.120 -0.002 0.000 0.301 726 V C 1.259 177.385 176.094 0.052 0.000 1.389 726 V CA 0.543 62.863 62.300 0.033 0.000 1.101 726 V CB 0.320 32.158 31.823 0.024 0.000 0.971 726 V HN 0.306 nan 8.190 nan 0.000 0.434 727 G N 0.984 109.822 108.800 0.063 0.000 2.225 727 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.264 727 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.264 727 G C 0.006 174.968 174.900 0.103 0.000 1.060 727 G CA 0.358 45.502 45.100 0.074 0.000 0.833 727 G HN 0.405 nan 8.290 nan 0.000 0.498 728 V N 0.505 120.504 119.914 0.142 0.000 2.394 728 V HA 0.492 4.611 4.120 -0.002 0.000 0.282 728 V C 0.358 176.629 176.094 0.294 0.000 1.031 728 V CA -0.525 61.891 62.300 0.194 0.000 0.881 728 V CB 1.769 33.701 31.823 0.181 0.000 0.982 728 V HN 0.439 nan 8.190 nan 0.000 0.451 729 D N 3.916 124.463 120.400 0.244 0.000 2.283 729 D HA 0.656 5.295 4.640 -0.002 0.000 0.248 729 D C -0.600 175.925 176.300 0.375 0.000 1.072 729 D CA 0.172 54.293 54.000 0.202 0.000 0.929 729 D CB 1.016 41.872 40.800 0.093 0.000 1.182 729 D HN 0.338 nan 8.370 nan 0.000 0.433 730 F N -1.167 118.858 119.950 0.125 0.000 2.858 730 F HA 0.436 4.962 4.527 -0.002 0.000 0.319 730 F C -1.348 174.508 175.800 0.092 0.000 1.166 730 F CA -1.097 57.000 58.000 0.161 0.000 0.899 730 F CB 0.602 39.730 39.000 0.214 0.000 1.332 730 F HN 0.213 nan 8.300 nan 0.000 0.461 731 Q N 0.986 120.877 119.800 0.151 0.000 2.248 731 Q HA 0.893 5.232 4.340 -0.002 0.000 0.263 731 Q C -1.092 174.937 176.000 0.049 0.000 1.007 731 Q CA -1.152 54.646 55.803 -0.009 0.000 0.877 731 Q CB 2.347 31.118 28.738 0.054 0.000 1.315 731 Q HN 0.986 nan 8.270 nan 0.000 0.454 732 A N 1.306 124.121 122.820 -0.008 0.000 2.566 732 A HA 0.878 5.197 4.320 -0.002 0.000 0.292 732 A C -1.661 175.901 177.584 -0.037 0.000 1.112 732 A CA -0.578 51.482 52.037 0.038 0.000 0.707 732 A CB 1.960 21.038 19.000 0.130 0.000 1.302 732 A HN 0.618 nan 8.150 nan 0.000 0.409 733 M N 1.109 120.673 119.600 -0.060 0.000 2.296 733 M HA 0.554 5.032 4.480 -0.002 0.000 0.268 733 M C -1.995 174.213 176.300 -0.154 0.000 1.048 733 M CA -0.384 54.744 55.300 -0.287 0.000 0.966 733 M CB 1.034 33.403 32.600 -0.384 0.000 1.912 733 M HN 1.020 nan 8.290 nan 0.000 0.484 734 W N 4.264 125.432 121.300 -0.219 0.000 2.448 734 W HA 0.787 5.446 4.660 -0.002 0.000 0.339 734 W C -2.001 174.307 176.519 -0.352 0.000 1.124 734 W CA -0.772 56.526 57.345 -0.078 0.000 1.262 734 W CB 0.394 29.839 29.460 -0.025 0.000 1.251 734 W HN 0.614 nan 8.180 nan 0.000 0.597 735 Y N 2.266 122.688 120.300 0.203 0.000 2.332 735 Y HA 0.292 4.841 4.550 -0.002 0.000 0.326 735 Y C 0.683 176.678 175.900 0.159 0.000 0.978 735 Y CA -1.100 57.020 58.100 0.033 0.000 1.205 735 Y CB 1.700 40.156 38.460 -0.007 0.000 1.131 735 Y HN 0.641 nan 8.280 nan 0.000 0.462 736 T N 1.499 116.206 114.554 0.255 0.000 2.853 736 T HA 0.143 4.492 4.350 -0.002 0.000 0.298 736 T C 0.365 175.136 174.700 0.119 0.000 0.978 736 T CA 0.199 62.417 62.100 0.197 0.000 1.152 736 T CB 0.155 69.098 68.868 0.124 0.000 0.914 736 T HN 0.783 nan 8.240 nan 0.000 0.539 737 D N 1.070 121.521 120.400 0.086 0.000 3.079 737 D HA -0.109 4.529 4.640 -0.002 0.000 0.214 737 D C -0.015 176.398 176.300 0.188 0.000 1.145 737 D CA 1.100 55.083 54.000 -0.029 0.000 0.958 737 D CB -0.643 39.912 40.800 -0.408 0.000 1.117 737 D HN 0.682 nan 8.370 nan 0.000 0.416 738 E N 0.737 121.071 120.200 0.222 0.000 2.319 738 E HA 0.358 4.707 4.350 -0.002 0.000 0.268 738 E C 0.713 177.491 176.600 0.297 0.000 1.050 738 E CA -0.259 56.293 56.400 0.254 0.000 0.878 738 E CB 1.099 30.938 29.700 0.231 0.000 1.066 738 E HN 0.350 nan 8.360 nan 0.000 0.406 739 D N -0.623 119.966 120.400 0.315 0.000 2.541 739 D HA 0.016 4.654 4.640 -0.002 0.000 0.276 739 D C 1.073 177.610 176.300 0.395 0.000 1.190 739 D CA -0.148 54.064 54.000 0.353 0.000 1.095 739 D CB -0.187 40.845 40.800 0.387 0.000 1.173 739 D HN 0.370 nan 8.370 nan 0.000 0.604 740 H N -1.507 117.742 119.070 0.298 0.000 2.456 740 H HA 0.105 4.660 4.556 -0.002 0.000 0.296 740 H C 1.905 177.485 175.328 0.419 0.000 1.079 740 H CA 2.031 58.272 56.048 0.322 0.000 1.322 740 H CB -0.419 29.518 29.762 0.293 0.000 1.388 740 H HN 0.500 nan 8.280 nan 0.000 0.538 741 G N -0.392 108.598 108.800 0.317 0.000 2.777 741 G HA2 0.018 3.977 3.960 -0.002 0.000 0.211 741 G HA3 0.018 3.977 3.960 -0.002 0.000 0.211 741 G C 0.572 175.659 174.900 0.312 0.000 1.149 741 G CA 0.213 45.430 45.100 0.196 0.000 0.785 741 G HN 0.489 nan 8.290 nan 0.000 0.536 742 I N 0.141 120.911 120.570 0.333 0.000 3.775 742 I HA -0.323 3.846 4.170 -0.002 0.000 0.126 742 I C 1.334 177.588 176.117 0.228 0.000 1.037 742 I CA 0.261 61.709 61.300 0.247 0.000 2.738 742 I CB -0.918 37.186 38.000 0.172 0.000 1.374 742 I HN 0.252 nan 8.210 nan 0.000 0.342 743 A N 1.969 124.897 122.820 0.181 0.000 2.551 743 A HA 0.332 4.651 4.320 -0.002 0.000 0.252 743 A C 0.987 178.628 177.584 0.095 0.000 1.199 743 A CA 0.479 52.600 52.037 0.139 0.000 0.972 743 A CB 0.302 19.345 19.000 0.072 0.000 1.153 743 A HN 0.621 nan 8.150 nan 0.000 0.559 744 S N 0.713 116.478 115.700 0.109 0.000 2.563 744 S HA 0.156 4.625 4.470 -0.002 0.000 0.284 744 S C 1.333 175.985 174.600 0.086 0.000 1.331 744 S CA 0.340 58.593 58.200 0.088 0.000 1.047 744 S CB 0.809 64.068 63.200 0.099 0.000 0.859 744 S HN 0.814 nan 8.310 nan 0.000 0.514 745 S N 2.204 117.939 115.700 0.057 0.000 2.370 745 S HA -0.202 4.267 4.470 -0.002 0.000 0.226 745 S C 2.063 176.721 174.600 0.098 0.000 1.033 745 S CA 1.503 59.740 58.200 0.062 0.000 1.011 745 S CB -1.930 61.283 63.200 0.021 0.000 0.852 745 S HN 1.058 nan 8.310 nan 0.000 0.457 746 T N 1.043 115.644 114.554 0.078 0.000 2.746 746 T HA 0.111 4.460 4.350 -0.002 0.000 0.267 746 T C 2.022 176.780 174.700 0.096 0.000 1.039 746 T CA 1.113 63.264 62.100 0.084 0.000 1.142 746 T CB -0.867 68.043 68.868 0.071 0.000 0.866 746 T HN 0.534 nan 8.240 nan 0.000 0.444 747 A N 1.461 124.319 122.820 0.064 0.000 1.898 747 A HA -0.073 4.246 4.320 -0.002 0.000 0.216 747 A C 2.199 179.753 177.584 -0.051 0.000 1.181 747 A CA 1.966 53.977 52.037 -0.043 0.000 0.620 747 A CB -1.242 17.705 19.000 -0.089 0.000 0.819 747 A HN 0.771 nan 8.150 nan 0.000 0.442 748 H N -0.186 118.878 119.070 -0.010 0.000 2.352 748 H HA -0.145 4.409 4.556 -0.002 0.000 0.299 748 H C 2.108 177.506 175.328 0.117 0.000 1.097 748 H CA 2.310 58.407 56.048 0.081 0.000 1.311 748 H CB -0.162 29.650 29.762 0.083 0.000 1.377 748 H HN 0.578 nan 8.280 nan 0.000 0.504 749 Q N -1.281 118.569 119.800 0.083 0.000 2.119 749 Q HA -0.191 4.147 4.340 -0.002 0.000 0.201 749 Q C 2.104 178.114 176.000 0.016 0.000 0.972 749 Q CA 1.622 57.434 55.803 0.014 0.000 0.847 749 Q CB -0.136 28.631 28.738 0.047 0.000 0.903 749 Q HN 0.709 nan 8.270 nan 0.000 0.433 750 H N 0.299 119.345 119.070 -0.039 0.000 2.363 750 H HA -0.004 4.550 4.556 -0.002 0.000 0.301 750 H C 2.027 177.341 175.328 -0.023 0.000 1.074 750 H CA 1.103 57.151 56.048 0.001 0.000 1.354 750 H CB 0.133 29.939 29.762 0.074 0.000 1.397 750 H HN 0.192 nan 8.280 nan 0.000 0.516 751 I N -0.073 120.499 120.570 0.003 0.000 2.226 751 I HA -0.325 3.843 4.170 -0.002 0.000 0.245 751 I C 1.291 177.214 176.117 -0.323 0.000 1.100 751 I CA 1.379 62.588 61.300 -0.152 0.000 1.374 751 I CB -0.115 37.587 38.000 -0.495 0.000 1.057 751 I HN 0.352 nan 8.210 nan 0.000 0.413 752 Y N 0.789 120.890 120.300 -0.332 0.000 2.352 752 Y HA -0.182 4.367 4.550 -0.002 0.000 0.292 752 Y C 2.669 178.372 175.900 -0.328 0.000 1.136 752 Y CA 1.677 59.464 58.100 -0.521 0.000 1.227 752 Y CB -0.712 37.434 38.460 -0.524 0.000 0.991 752 Y HN 0.158 nan 8.280 nan 0.000 0.545 753 T N -1.754 112.738 114.554 -0.104 0.000 2.737 753 T HA -0.207 4.142 4.350 -0.002 0.000 0.265 753 T C 1.538 176.134 174.700 -0.173 0.000 1.038 753 T CA 1.809 63.807 62.100 -0.170 0.000 1.144 753 T CB -0.397 68.360 68.868 -0.184 0.000 0.866 753 T HN 0.369 nan 8.240 nan 0.000 0.434 754 H N 0.845 119.813 119.070 -0.169 0.000 2.357 754 H HA 0.162 4.717 4.556 -0.002 0.000 0.301 754 H C 2.142 177.465 175.328 -0.008 0.000 1.082 754 H CA 1.420 57.445 56.048 -0.039 0.000 1.342 754 H CB -0.256 29.513 29.762 0.011 0.000 1.389 754 H HN 0.246 nan 8.280 nan 0.000 0.511 755 M N -0.913 118.634 119.600 -0.089 0.000 2.229 755 M HA -0.138 4.341 4.480 -0.002 0.000 0.264 755 M C 2.302 178.695 176.300 0.155 0.000 1.063 755 M CA 1.317 56.545 55.300 -0.120 0.000 1.114 755 M CB 0.091 32.379 32.600 -0.520 0.000 1.387 755 M HN 0.189 nan 8.290 nan 0.000 0.420 756 S N -0.679 115.134 115.700 0.188 0.000 2.355 756 S HA -0.134 4.335 4.470 -0.002 0.000 0.222 756 S C 1.676 176.393 174.600 0.195 0.000 1.031 756 S CA 0.916 59.342 58.200 0.376 0.000 0.993 756 S CB -0.545 62.898 63.200 0.405 0.000 0.859 756 S HN 0.461 nan 8.310 nan 0.000 0.453 757 H N 0.132 119.279 119.070 0.130 0.000 2.353 757 H HA -0.082 4.473 4.556 -0.002 0.000 0.298 757 H C 1.936 177.282 175.328 0.030 0.000 1.103 757 H CA 1.410 57.490 56.048 0.052 0.000 1.293 757 H CB -0.740 29.013 29.762 -0.015 0.000 1.372 757 H HN 0.475 nan 8.280 nan 0.000 0.501 758 F N 0.953 120.901 119.950 -0.004 0.000 2.146 758 F HA -0.140 4.386 4.527 -0.002 0.000 0.298 758 F C 2.275 178.030 175.800 -0.076 0.000 1.096 758 F CA 0.765 58.725 58.000 -0.066 0.000 1.275 758 F CB -0.180 38.747 39.000 -0.121 0.000 1.008 758 F HN -0.043 nan 8.300 nan 0.000 0.480 759 I N 0.771 121.362 120.570 0.036 0.000 2.252 759 I HA -0.252 3.917 4.170 -0.002 0.000 0.245 759 I C 2.234 178.159 176.117 -0.320 0.000 1.102 759 I CA 1.353 62.496 61.300 -0.262 0.000 1.385 759 I CB -1.195 36.736 38.000 -0.115 0.000 1.064 759 I HN 0.209 nan 8.210 nan 0.000 0.414 760 K N 0.743 121.109 120.400 -0.058 0.000 2.063 760 K HA -0.250 4.069 4.320 -0.002 0.000 0.208 760 K C 2.021 178.614 176.600 -0.011 0.000 1.048 760 K CA 1.891 58.197 56.287 0.032 0.000 0.928 760 K CB -0.226 32.348 32.500 0.124 0.000 0.713 760 K HN 0.452 nan 8.250 nan 0.000 0.442 761 Q N 0.724 120.472 119.800 -0.086 0.000 2.123 761 Q HA -0.112 4.227 4.340 -0.002 0.000 0.199 761 Q C 2.171 178.076 176.000 -0.158 0.000 0.966 761 Q CA 1.627 57.368 55.803 -0.103 0.000 0.845 761 Q CB -1.083 27.589 28.738 -0.110 0.000 0.907 761 Q HN 0.318 nan 8.270 nan 0.000 0.439 762 c N -0.355 118.041 118.600 -0.340 0.000 2.419 762 c HA 0.062 4.631 4.570 -0.002 0.000 0.281 762 c C 1.359 175.447 174.090 -0.003 0.000 1.336 762 c CA 0.255 56.400 56.329 -0.307 0.000 1.770 762 c CB -1.195 40.968 42.510 -0.578 0.000 1.929 762 c HN 0.576 nan 8.230 nan 0.000 0.509 763 F N 1.620 121.532 119.950 -0.064 0.000 2.693 763 F HA 0.267 4.793 4.527 -0.002 0.000 0.303 763 F C 1.573 177.361 175.800 -0.021 0.000 1.097 763 F CA 0.181 58.166 58.000 -0.025 0.000 1.330 763 F CB -1.097 37.898 39.000 -0.009 0.000 1.067 763 F HN 0.213 nan 8.300 nan 0.000 0.565 764 S N 1.008 116.790 115.700 0.137 0.000 3.682 764 S HA -0.211 4.258 4.470 -0.002 0.000 0.354 764 S C -0.113 174.532 174.600 0.075 0.000 1.034 764 S CA 0.185 58.428 58.200 0.073 0.000 1.084 764 S CB -2.149 61.083 63.200 0.053 0.000 0.903 764 S HN 0.243 nan 8.310 nan 0.000 0.470 765 L N 0.925 122.205 121.223 0.095 0.000 2.313 765 L HA 0.558 4.897 4.340 -0.002 0.000 0.283 765 L C -1.863 175.055 176.870 0.079 0.000 1.013 765 L CA -2.051 52.843 54.840 0.090 0.000 0.816 765 L CB 1.296 43.429 42.059 0.124 0.000 1.236 765 L HN 0.016 nan 8.230 nan 0.000 0.419 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.142 63.100 0.069 0.000 0.800 766 P CB 0.000 31.730 31.700 0.051 0.000 0.726