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 1rwq_1_B 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 58.235 58.200 0.059 0.000 1.107 39 S CB 0.000 63.226 63.200 0.044 0.000 0.593 40 R N 3.270 123.822 120.500 0.086 0.000 2.817 40 R HA 0.213 4.553 4.340 -0.000 0.000 0.264 40 R C 0.344 176.696 176.300 0.087 0.000 1.009 40 R CA 0.477 56.626 56.100 0.081 0.000 1.133 40 R CB 0.077 30.422 30.300 0.076 0.000 1.013 40 R HN 0.530 nan 8.270 nan 0.000 0.453 41 K N -0.192 120.261 120.400 0.088 0.000 2.230 41 K HA 0.133 4.453 4.320 -0.000 0.000 0.253 41 K C -0.020 176.644 176.600 0.106 0.000 1.008 41 K CA -0.419 55.927 56.287 0.099 0.000 0.910 41 K CB 0.618 33.185 32.500 0.111 0.000 0.994 41 K HN 0.327 nan 8.250 nan 0.000 0.495 42 T N 0.187 114.811 114.554 0.116 0.000 2.881 42 T HA 0.110 4.460 4.350 -0.000 0.000 0.278 42 T C -1.375 173.437 174.700 0.188 0.000 0.982 42 T CA -0.560 61.619 62.100 0.131 0.000 0.989 42 T CB 0.223 69.164 68.868 0.121 0.000 1.058 42 T HN 0.466 nan 8.240 nan 0.000 0.529 43 Y N 2.982 123.344 120.300 0.103 0.000 2.556 43 Y HA 0.342 4.892 4.550 0.000 0.000 0.352 43 Y C 0.926 176.990 175.900 0.273 0.000 1.006 43 Y CA -0.681 57.520 58.100 0.168 0.000 1.277 43 Y CB -0.227 38.292 38.460 0.098 0.000 1.136 43 Y HN 0.638 nan 8.280 nan 0.000 0.523 44 T N 2.258 116.797 114.554 -0.025 0.000 2.847 44 T HA 0.128 4.478 4.350 -0.000 0.000 0.279 44 T C 1.021 175.633 174.700 -0.145 0.000 0.984 44 T CA -0.761 61.384 62.100 0.075 0.000 0.988 44 T CB 1.263 70.135 68.868 0.007 0.000 1.040 44 T HN 0.672 nan 8.240 nan 0.000 0.528 45 L N 1.055 122.032 121.223 -0.409 0.000 2.046 45 L HA 0.013 4.353 4.340 -0.000 0.000 0.208 45 L C 2.599 179.300 176.870 -0.281 0.000 1.077 45 L CA 2.075 56.473 54.840 -0.736 0.000 0.747 45 L CB -1.420 40.147 42.059 -0.820 0.000 0.896 45 L HN 0.943 nan 8.230 nan 0.000 0.432 46 T N -0.585 113.851 114.554 -0.197 0.000 2.915 46 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 46 T C 1.432 176.040 174.700 -0.153 0.000 1.071 46 T CA 1.207 63.222 62.100 -0.141 0.000 1.132 46 T CB -0.297 68.513 68.868 -0.096 0.000 0.878 46 T HN 0.417 nan 8.240 nan 0.000 0.479 47 D N 0.256 120.535 120.400 -0.202 0.000 2.104 47 D HA -0.108 4.532 4.640 -0.000 0.000 0.194 47 D C 1.717 177.925 176.300 -0.154 0.000 0.994 47 D CA 1.169 55.017 54.000 -0.254 0.000 0.830 47 D CB -0.368 40.143 40.800 -0.482 0.000 0.959 47 D HN 0.407 nan 8.370 nan 0.000 0.452 48 Y N 1.477 121.603 120.300 -0.291 0.000 2.070 48 Y HA -0.180 4.370 4.550 -0.000 0.000 0.279 48 Y C 2.095 177.992 175.900 -0.005 0.000 1.134 48 Y CA 1.025 59.112 58.100 -0.021 0.000 1.113 48 Y CB -0.748 37.748 38.460 0.059 0.000 0.981 48 Y HN -0.154 nan 8.280 nan 0.000 0.487 49 L N 0.763 121.765 121.223 -0.368 0.000 2.129 49 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 49 L C 1.992 178.739 176.870 -0.204 0.000 1.087 49 L CA 1.875 56.483 54.840 -0.387 0.000 0.757 49 L CB -0.957 40.961 42.059 -0.235 0.000 0.896 49 L HN 0.269 nan 8.230 nan 0.000 0.434 50 K N -1.358 118.952 120.400 -0.149 0.000 2.358 50 K HA 0.142 4.462 4.320 -0.000 0.000 0.197 50 K C 0.364 176.907 176.600 -0.095 0.000 1.025 50 K CA -0.068 56.154 56.287 -0.107 0.000 1.104 50 K CB 0.137 32.577 32.500 -0.100 0.000 0.855 50 K HN 0.205 nan 8.250 nan 0.000 0.531 51 N N 1.278 119.931 118.700 -0.078 0.000 2.756 51 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 51 N C -0.038 175.435 175.510 -0.061 0.000 1.062 51 N CA 0.336 53.377 53.050 -0.016 0.000 0.696 51 N CB -0.595 37.876 38.487 -0.026 0.000 0.946 51 N HN 0.155 nan 8.380 nan 0.000 0.548 52 T N -0.457 113.997 114.554 -0.166 0.000 2.788 52 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 52 T C 0.303 174.740 174.700 -0.439 0.000 1.044 52 T CA 1.317 63.190 62.100 -0.378 0.000 1.139 52 T CB -0.126 68.383 68.868 -0.599 0.000 0.867 52 T HN 0.330 nan 8.240 nan 0.000 0.454 53 Y N 2.284 122.674 120.300 0.150 0.000 2.594 53 Y HA 0.459 5.009 4.550 0.000 0.000 0.342 53 Y C 0.485 176.486 175.900 0.167 0.000 1.010 53 Y CA -1.055 57.153 58.100 0.180 0.000 1.270 53 Y CB -0.019 38.606 38.460 0.275 0.000 1.125 53 Y HN -0.099 nan 8.280 nan 0.000 0.513 54 R N 2.657 123.278 120.500 0.202 0.000 2.368 54 R HA 0.520 4.860 4.340 -0.000 0.000 0.302 54 R C -0.746 175.650 176.300 0.161 0.000 1.002 54 R CA -0.813 55.381 56.100 0.157 0.000 0.929 54 R CB 1.287 31.640 30.300 0.088 0.000 1.073 54 R HN 0.566 nan 8.270 nan 0.000 0.464 55 L N 3.060 124.381 121.223 0.162 0.000 2.380 55 L HA 0.211 4.551 4.340 -0.000 0.000 0.273 55 L C 0.300 177.231 176.870 0.102 0.000 1.138 55 L CA 0.092 55.021 54.840 0.149 0.000 0.832 55 L CB 0.620 42.788 42.059 0.182 0.000 1.124 55 L HN 0.394 nan 8.230 nan 0.000 0.454 56 K N 3.677 124.124 120.400 0.079 0.000 2.098 56 K HA 0.657 4.977 4.320 -0.000 0.000 0.258 56 K C -0.737 175.847 176.600 -0.027 0.000 0.973 56 K CA -0.563 55.741 56.287 0.028 0.000 0.898 56 K CB 1.521 34.030 32.500 0.015 0.000 1.057 56 K HN 0.400 nan 8.250 nan 0.000 0.447 57 L N 1.027 122.180 121.223 -0.118 0.000 2.260 57 L HA 0.500 4.840 4.340 -0.000 0.000 0.265 57 L C -1.058 175.552 176.870 -0.433 0.000 1.015 57 L CA -1.082 53.575 54.840 -0.305 0.000 0.826 57 L CB 1.030 43.047 42.059 -0.072 0.000 1.373 57 L HN 0.586 nan 8.230 nan 0.000 0.450 58 Y N 0.195 120.056 120.300 -0.732 0.000 2.489 58 Y HA 0.285 4.835 4.550 0.000 0.000 0.339 58 Y C -0.618 175.205 175.900 -0.129 0.000 1.135 58 Y CA -0.426 57.436 58.100 -0.396 0.000 1.321 58 Y CB 1.299 39.374 38.460 -0.642 0.000 1.098 58 Y HN 0.383 nan 8.280 nan 0.000 0.590 59 S N 6.221 121.907 115.700 -0.023 0.000 2.422 59 S HA 0.473 4.943 4.470 -0.000 0.000 0.283 59 S C -0.488 174.087 174.600 -0.042 0.000 1.163 59 S CA -0.458 57.737 58.200 -0.008 0.000 1.054 59 S CB -0.258 62.923 63.200 -0.032 0.000 0.967 59 S HN 0.575 nan 8.310 nan 0.000 0.499 60 L N 2.508 123.672 121.223 -0.099 0.000 2.354 60 L HA 0.742 5.082 4.340 -0.000 0.000 0.269 60 L C -0.914 175.839 176.870 -0.195 0.000 1.005 60 L CA -1.012 53.698 54.840 -0.216 0.000 0.819 60 L CB 1.685 43.343 42.059 -0.668 0.000 1.311 60 L HN 0.411 nan 8.230 nan 0.000 0.423 61 R N 2.424 122.862 120.500 -0.103 0.000 2.337 61 R HA 0.398 4.738 4.340 -0.000 0.000 0.319 61 R C -1.262 175.062 176.300 0.039 0.000 0.954 61 R CA -0.352 55.748 56.100 -0.001 0.000 0.840 61 R CB 1.167 31.516 30.300 0.082 0.000 1.164 61 R HN 0.628 nan 8.270 nan 0.000 0.472 62 W N 3.123 124.523 121.300 0.165 0.000 2.170 62 W HA 0.065 4.725 4.660 0.000 0.000 0.342 62 W C 1.103 177.708 176.519 0.144 0.000 1.294 62 W CA 0.072 57.530 57.345 0.188 0.000 1.246 62 W CB 0.380 29.949 29.460 0.182 0.000 1.156 62 W HN 0.570 nan 8.180 nan 0.000 0.572 63 I N 1.254 122.074 120.570 0.417 0.000 4.665 63 I HA -0.008 4.162 4.170 -0.000 0.000 0.360 63 I C 0.324 176.559 176.117 0.196 0.000 1.259 63 I CA 0.452 61.886 61.300 0.223 0.000 1.301 63 I CB -0.013 38.049 38.000 0.103 0.000 1.746 63 I HN 0.414 nan 8.210 nan 0.000 0.598 64 S N -0.931 114.926 115.700 0.263 0.000 2.930 64 S HA 0.222 4.692 4.470 -0.000 0.000 0.306 64 S C -0.589 174.184 174.600 0.289 0.000 1.238 64 S CA 0.188 58.532 58.200 0.241 0.000 1.000 64 S CB 0.522 63.851 63.200 0.214 0.000 1.342 64 S HN 0.049 nan 8.310 nan 0.000 0.575 65 D N -0.394 120.216 120.400 0.350 0.000 2.369 65 D HA 0.171 4.811 4.640 -0.000 0.000 0.211 65 D C 0.839 177.420 176.300 0.467 0.000 1.077 65 D CA 0.937 55.111 54.000 0.290 0.000 0.842 65 D CB -0.710 40.219 40.800 0.216 0.000 0.947 65 D HN 0.917 nan 8.370 nan 0.000 0.509 66 H N -2.458 116.798 119.070 0.310 0.000 3.771 66 H HA 0.443 4.999 4.556 0.000 0.000 0.260 66 H C -0.350 175.108 175.328 0.217 0.000 1.158 66 H CA -0.559 55.666 56.048 0.294 0.000 1.170 66 H CB 0.458 30.378 29.762 0.264 0.000 1.539 66 H HN -0.025 nan 8.280 nan 0.000 0.634 67 E N 1.039 121.240 120.200 0.002 0.000 2.312 67 E HA 0.372 4.722 4.350 -0.000 0.000 0.267 67 E C -1.621 175.096 176.600 0.194 0.000 0.894 67 E CA -1.456 54.913 56.400 -0.051 0.000 0.773 67 E CB 2.570 32.106 29.700 -0.274 0.000 1.241 67 E HN 0.359 nan 8.360 nan 0.000 0.432 68 Y N -0.838 119.451 120.300 -0.019 0.000 2.588 68 Y HA 0.626 5.176 4.550 -0.000 0.000 0.343 68 Y C -1.669 174.208 175.900 -0.038 0.000 1.065 68 Y CA -1.426 56.591 58.100 -0.137 0.000 1.038 68 Y CB 0.815 38.909 38.460 -0.610 0.000 1.297 68 Y HN 0.372 nan 8.280 nan 0.000 0.467 69 L N 2.900 124.249 121.223 0.210 0.000 2.343 69 L HA 0.511 4.851 4.340 -0.000 0.000 0.275 69 L C -1.323 175.751 176.870 0.340 0.000 1.056 69 L CA -1.018 53.931 54.840 0.182 0.000 0.804 69 L CB 1.543 43.639 42.059 0.062 0.000 1.203 69 L HN 0.802 nan 8.230 nan 0.000 0.440 70 Y N 2.433 122.827 120.300 0.157 0.000 2.399 70 Y HA 0.271 4.821 4.550 0.000 0.000 0.327 70 Y C -0.719 175.209 175.900 0.047 0.000 1.111 70 Y CA -1.404 56.709 58.100 0.020 0.000 1.047 70 Y CB 1.363 39.766 38.460 -0.096 0.000 1.259 70 Y HN 0.531 nan 8.280 nan 0.000 0.434 71 K N 5.671 125.713 120.400 -0.597 0.000 2.258 71 K HA 0.446 4.766 4.320 -0.000 0.000 0.284 71 K C -1.141 175.104 176.600 -0.592 0.000 1.051 71 K CA -0.474 55.567 56.287 -0.411 0.000 0.923 71 K CB 1.295 33.681 32.500 -0.189 0.000 1.046 71 K HN 0.767 nan 8.250 nan 0.000 0.474 72 Q N 2.946 122.603 119.800 -0.237 0.000 2.304 72 Q HA 0.087 4.427 4.340 -0.000 0.000 0.270 72 Q C -1.037 174.940 176.000 -0.039 0.000 1.035 72 Q CA -0.388 55.361 55.803 -0.089 0.000 0.781 72 Q CB 1.605 30.419 28.738 0.126 0.000 1.261 72 Q HN 0.885 nan 8.270 nan 0.000 0.444 73 E N 2.247 122.429 120.200 -0.031 0.000 2.365 73 E HA -0.324 4.026 4.350 -0.000 0.000 0.237 73 E C -0.717 175.863 176.600 -0.033 0.000 1.238 73 E CA 0.688 57.076 56.400 -0.020 0.000 0.718 73 E CB -1.073 28.626 29.700 -0.001 0.000 1.218 73 E HN 0.774 nan 8.360 nan 0.000 0.387 74 N N -0.454 118.215 118.700 -0.052 0.000 2.696 74 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 74 N C -1.005 174.477 175.510 -0.047 0.000 1.090 74 N CA 1.242 54.263 53.050 -0.049 0.000 0.716 74 N CB -0.717 37.751 38.487 -0.032 0.000 1.020 74 N HN 0.348 nan 8.380 nan 0.000 0.548 75 N N 0.432 119.105 118.700 -0.046 0.000 2.456 75 N HA 0.387 5.127 4.740 -0.000 0.000 0.288 75 N C 0.185 175.672 175.510 -0.037 0.000 1.059 75 N CA -0.366 52.658 53.050 -0.043 0.000 0.946 75 N CB 0.921 39.391 38.487 -0.028 0.000 1.150 75 N HN 0.178 nan 8.380 nan 0.000 0.479 76 I N 2.798 123.346 120.570 -0.036 0.000 2.352 76 I HA 0.189 4.359 4.170 -0.000 0.000 0.290 76 I C 0.151 176.319 176.117 0.086 0.000 1.036 76 I CA -0.292 61.003 61.300 -0.008 0.000 1.336 76 I CB 0.513 38.482 38.000 -0.053 0.000 1.407 76 I HN 0.179 nan 8.210 nan 0.000 0.497 77 L N 6.810 128.105 121.223 0.121 0.000 2.331 77 L HA 0.580 4.920 4.340 -0.000 0.000 0.275 77 L C -0.473 176.515 176.870 0.196 0.000 1.022 77 L CA -0.966 53.969 54.840 0.158 0.000 0.812 77 L CB 2.198 44.403 42.059 0.242 0.000 1.257 77 L HN 0.261 nan 8.230 nan 0.000 0.435 78 V N 2.601 122.562 119.914 0.080 0.000 2.384 78 V HA 0.419 4.539 4.120 -0.000 0.000 0.287 78 V C -0.508 175.503 176.094 -0.138 0.000 1.020 78 V CA -0.324 61.988 62.300 0.019 0.000 0.850 78 V CB 1.542 33.379 31.823 0.024 0.000 0.987 78 V HN 0.362 nan 8.190 nan 0.000 0.436 79 F N 3.232 122.944 119.950 -0.397 0.000 2.483 79 F HA 0.477 5.004 4.527 -0.000 0.000 0.329 79 F C 0.584 176.099 175.800 -0.474 0.000 1.064 79 F CA -0.665 57.042 58.000 -0.487 0.000 0.986 79 F CB 1.386 39.830 39.000 -0.927 0.000 1.218 79 F HN 0.400 nan 8.300 nan 0.000 0.484 80 N N 1.156 119.785 118.700 -0.119 0.000 2.419 80 N HA 0.341 5.081 4.740 -0.000 0.000 0.277 80 N C 0.168 175.628 175.510 -0.083 0.000 1.006 80 N CA 0.058 53.064 53.050 -0.074 0.000 0.923 80 N CB 1.906 40.421 38.487 0.047 0.000 1.140 80 N HN 0.748 nan 8.380 nan 0.000 0.488 81 A N 3.539 126.252 122.820 -0.179 0.000 1.897 81 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 81 A C 1.832 179.206 177.584 -0.349 0.000 1.181 81 A CA 1.183 53.055 52.037 -0.275 0.000 0.620 81 A CB -0.465 18.221 19.000 -0.523 0.000 0.821 81 A HN 0.772 nan 8.150 nan 0.000 0.443 82 E N -0.855 119.097 120.200 -0.414 0.000 2.058 82 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 82 E C 1.407 177.720 176.600 -0.479 0.000 0.997 82 E CA 1.868 58.037 56.400 -0.385 0.000 0.801 82 E CB -0.360 29.068 29.700 -0.454 0.000 0.746 82 E HN 0.683 nan 8.360 nan 0.000 0.450 83 Y N -2.136 118.173 120.300 0.015 0.000 2.524 83 Y HA 0.345 4.895 4.550 -0.000 0.000 0.270 83 Y C 1.819 177.725 175.900 0.011 0.000 1.094 83 Y CA 0.613 58.723 58.100 0.017 0.000 1.276 83 Y CB 0.832 39.304 38.460 0.019 0.000 1.130 83 Y HN 0.210 nan 8.280 nan 0.000 0.536 84 G N 0.294 109.176 108.800 0.136 0.000 2.254 84 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.225 84 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.225 84 G C 0.266 175.241 174.900 0.126 0.000 1.003 84 G CA 0.008 45.193 45.100 0.142 0.000 0.622 84 G HN 0.444 nan 8.290 nan 0.000 0.507 85 N N 1.073 119.808 118.700 0.058 0.000 2.416 85 N HA 0.414 5.154 4.740 -0.000 0.000 0.246 85 N C -0.114 175.240 175.510 -0.260 0.000 1.260 85 N CA 1.114 54.125 53.050 -0.065 0.000 0.897 85 N CB 1.034 39.502 38.487 -0.031 0.000 1.110 85 N HN 0.724 nan 8.380 nan 0.000 0.439 86 S N 0.075 115.549 115.700 -0.376 0.000 2.569 86 S HA 0.686 5.156 4.470 -0.000 0.000 0.280 86 S C -0.991 173.411 174.600 -0.330 0.000 1.111 86 S CA -0.921 56.925 58.200 -0.589 0.000 0.887 86 S CB 1.739 64.251 63.200 -1.147 0.000 1.095 86 S HN 0.717 nan 8.310 nan 0.000 0.476 87 S N 0.167 115.706 115.700 -0.268 0.000 2.661 87 S HA 0.633 5.103 4.470 -0.000 0.000 0.285 87 S C -0.917 173.627 174.600 -0.094 0.000 1.138 87 S CA -0.855 57.259 58.200 -0.144 0.000 0.855 87 S CB 1.649 64.795 63.200 -0.090 0.000 1.136 87 S HN 0.967 nan 8.310 nan 0.000 0.484 88 V N 2.822 122.695 119.914 -0.068 0.000 2.405 88 V HA 0.331 4.451 4.120 -0.000 0.000 0.264 88 V C 0.290 176.372 176.094 -0.020 0.000 1.048 88 V CA -0.092 62.182 62.300 -0.043 0.000 0.966 88 V CB -0.154 31.626 31.823 -0.072 0.000 1.015 88 V HN 0.872 nan 8.190 nan 0.000 0.477 89 F N 6.370 126.270 119.950 -0.084 0.000 2.118 89 F HA 0.318 4.845 4.527 -0.000 0.000 0.293 89 F C 0.641 176.388 175.800 -0.089 0.000 1.102 89 F CA 1.077 59.032 58.000 -0.075 0.000 1.247 89 F CB 0.434 39.398 39.000 -0.059 0.000 1.017 89 F HN 0.363 nan 8.300 nan 0.000 0.475 90 L N 1.620 122.823 121.223 -0.033 0.000 2.409 90 L HA 0.318 4.658 4.340 -0.000 0.000 0.272 90 L C -1.090 175.699 176.870 -0.136 0.000 0.980 90 L CA -0.885 53.865 54.840 -0.150 0.000 0.826 90 L CB 1.649 43.666 42.059 -0.071 0.000 1.268 90 L HN 0.041 nan 8.230 nan 0.000 0.407 91 E N 2.764 122.853 120.200 -0.184 0.000 2.414 91 E HA -0.028 4.322 4.350 -0.000 0.000 0.263 91 E C 0.837 177.346 176.600 -0.152 0.000 1.000 91 E CA -0.202 56.104 56.400 -0.157 0.000 0.914 91 E CB 0.352 29.950 29.700 -0.170 0.000 0.948 91 E HN 0.575 nan 8.360 nan 0.000 0.444 92 N N 2.385 121.023 118.700 -0.103 0.000 2.104 92 N HA -0.237 4.503 4.740 -0.000 0.000 0.190 92 N C 0.913 176.370 175.510 -0.089 0.000 1.024 92 N CA 1.808 54.812 53.050 -0.077 0.000 0.853 92 N CB -0.725 37.730 38.487 -0.054 0.000 1.008 92 N HN 0.356 nan 8.380 nan 0.000 0.424 93 S N 0.058 115.693 115.700 -0.107 0.000 2.365 93 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 93 S C 0.764 175.260 174.600 -0.173 0.000 1.039 93 S CA 1.314 59.446 58.200 -0.112 0.000 1.033 93 S CB -1.221 61.913 63.200 -0.109 0.000 0.887 93 S HN 0.538 nan 8.310 nan 0.000 0.447 94 T N 2.850 117.220 114.554 -0.305 0.000 2.946 94 T HA 0.180 4.530 4.350 -0.000 0.000 0.312 94 T C -0.167 174.227 174.700 -0.510 0.000 1.066 94 T CA 0.083 61.814 62.100 -0.615 0.000 1.138 94 T CB -0.475 67.771 68.868 -1.036 0.000 1.014 94 T HN 0.284 nan 8.240 nan 0.000 0.544 95 F N 1.247 121.108 119.950 -0.149 0.000 2.659 95 F HA -0.136 4.391 4.527 -0.000 0.000 0.368 95 F C 0.398 176.192 175.800 -0.010 0.000 1.083 95 F CA -0.181 57.762 58.000 -0.096 0.000 1.195 95 F CB -2.365 36.478 39.000 -0.261 0.000 1.616 95 F HN 0.628 nan 8.300 nan 0.000 0.801 96 D N -0.231 120.248 120.400 0.132 0.000 2.753 96 D HA 0.026 4.666 4.640 -0.000 0.000 0.291 96 D C 1.763 178.114 176.300 0.084 0.000 1.075 96 D CA 0.747 54.794 54.000 0.079 0.000 0.946 96 D CB 0.006 40.815 40.800 0.015 0.000 1.376 96 D HN 0.611 nan 8.370 nan 0.000 0.482 97 E N -0.272 119.979 120.200 0.085 0.000 2.476 97 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 97 E C 1.089 177.755 176.600 0.110 0.000 1.064 97 E CA -0.194 56.241 56.400 0.059 0.000 0.866 97 E CB 0.006 29.728 29.700 0.036 0.000 0.952 97 E HN 0.056 nan 8.360 nan 0.000 0.492 98 F N 0.764 120.738 119.950 0.040 0.000 2.202 98 F HA -0.086 4.441 4.527 0.000 0.000 0.301 98 F C 1.669 177.424 175.800 -0.074 0.000 1.082 98 F CA 2.186 60.209 58.000 0.039 0.000 1.313 98 F CB -0.166 38.877 39.000 0.071 0.000 1.024 98 F HN 0.197 nan 8.300 nan 0.000 0.495 99 G N -0.958 107.657 108.800 -0.309 0.000 2.194 99 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.236 99 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.236 99 G C -0.040 174.376 174.900 -0.808 0.000 0.987 99 G CA 0.188 44.944 45.100 -0.573 0.000 0.635 99 G HN 0.674 nan 8.290 nan 0.000 0.520 100 H N -0.734 118.139 119.070 -0.328 0.000 3.008 100 H HA 0.685 5.241 4.556 -0.000 0.000 0.354 100 H C -0.155 175.212 175.328 0.064 0.000 1.252 100 H CA 0.007 55.974 56.048 -0.135 0.000 1.117 100 H CB 1.482 31.115 29.762 -0.214 0.000 1.857 100 H HN 0.358 nan 8.280 nan 0.000 0.547 101 S N 1.113 116.952 115.700 0.232 0.000 2.537 101 S HA 0.407 4.877 4.470 -0.000 0.000 0.275 101 S C -0.317 174.396 174.600 0.188 0.000 1.272 101 S CA -0.643 57.660 58.200 0.172 0.000 1.050 101 S CB -0.009 63.258 63.200 0.112 0.000 0.961 101 S HN 0.446 nan 8.310 nan 0.000 0.496 102 I N 5.266 125.910 120.570 0.123 0.000 2.312 102 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 102 I C 1.458 177.599 176.117 0.040 0.000 1.008 102 I CA -0.449 60.895 61.300 0.072 0.000 1.226 102 I CB 1.102 39.076 38.000 -0.044 0.000 1.371 102 I HN 0.774 nan 8.210 nan 0.000 0.468 103 N N 3.805 122.522 118.700 0.029 0.000 2.446 103 N HA -0.041 4.699 4.740 -0.000 0.000 0.179 103 N C -0.073 175.391 175.510 -0.077 0.000 1.054 103 N CA 0.870 53.886 53.050 -0.057 0.000 0.905 103 N CB 0.471 38.899 38.487 -0.099 0.000 0.973 103 N HN 0.683 nan 8.380 nan 0.000 0.448 104 D N -1.872 118.523 120.400 -0.009 0.000 2.913 104 D HA 0.117 4.757 4.640 -0.000 0.000 0.293 104 D C -1.707 174.634 176.300 0.069 0.000 1.238 104 D CA -0.389 53.591 54.000 -0.032 0.000 0.738 104 D CB 0.405 41.159 40.800 -0.077 0.000 1.254 104 D HN 0.037 nan 8.370 nan 0.000 0.429 105 Y N -1.344 118.988 120.300 0.053 0.000 2.670 105 Y HA 0.761 5.311 4.550 -0.000 0.000 0.334 105 Y C -1.432 174.556 175.900 0.148 0.000 1.185 105 Y CA -0.885 57.266 58.100 0.086 0.000 1.053 105 Y CB 1.525 40.017 38.460 0.053 0.000 1.298 105 Y HN 0.195 nan 8.280 nan 0.000 0.459 106 S N 1.511 117.494 115.700 0.472 0.000 2.649 106 S HA 0.663 5.133 4.470 -0.000 0.000 0.274 106 S C -1.748 173.259 174.600 0.679 0.000 1.176 106 S CA -0.505 57.968 58.200 0.456 0.000 0.988 106 S CB 0.411 63.809 63.200 0.330 0.000 1.071 106 S HN 0.663 nan 8.310 nan 0.000 0.478 107 I N 3.645 124.509 120.570 0.490 0.000 2.321 107 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 107 I C 0.843 176.877 176.117 -0.140 0.000 0.998 107 I CA -0.319 61.141 61.300 0.267 0.000 1.227 107 I CB 1.775 39.888 38.000 0.188 0.000 1.368 107 I HN 0.537 nan 8.210 nan 0.000 0.466 108 S N 7.445 122.714 115.700 -0.719 0.000 2.536 108 S HA -0.078 4.392 4.470 -0.000 0.000 0.294 108 S C -1.479 172.848 174.600 -0.455 0.000 1.289 108 S CA -0.414 57.039 58.200 -1.245 0.000 1.035 108 S CB 0.216 62.917 63.200 -0.832 0.000 0.783 108 S HN 0.509 nan 8.310 nan 0.000 0.497 109 P HA 0.086 nan 4.420 nan 0.000 0.219 109 P C -0.389 176.871 177.300 -0.066 0.000 1.154 109 P CA 0.838 63.875 63.100 -0.105 0.000 0.826 109 P CB 0.151 31.818 31.700 -0.055 0.000 0.795 110 D N -0.361 119.989 120.400 -0.084 0.000 2.485 110 D HA 0.213 4.853 4.640 -0.000 0.000 0.229 110 D C 1.328 177.626 176.300 -0.003 0.000 1.101 110 D CA -0.277 53.706 54.000 -0.029 0.000 0.906 110 D CB -0.040 40.733 40.800 -0.046 0.000 1.019 110 D HN -0.038 nan 8.370 nan 0.000 0.516 111 G N 1.813 110.623 108.800 0.016 0.000 3.663 111 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.207 111 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.207 111 G C 1.102 176.025 174.900 0.038 0.000 1.150 111 G CA 0.694 45.830 45.100 0.060 0.000 0.712 111 G HN 0.463 nan 8.290 nan 0.000 0.662 112 Q N -1.618 118.185 119.800 0.004 0.000 2.297 112 Q HA 0.146 4.486 4.340 -0.000 0.000 0.204 112 Q C -0.026 175.647 176.000 -0.545 0.000 0.962 112 Q CA 0.450 56.129 55.803 -0.206 0.000 0.879 112 Q CB 0.270 28.964 28.738 -0.073 0.000 0.947 112 Q HN 0.591 nan 8.270 nan 0.000 0.462 113 F N -0.944 118.940 119.950 -0.110 0.000 2.629 113 F HA 0.548 5.075 4.527 -0.000 0.000 0.316 113 F C -0.628 175.214 175.800 0.071 0.000 1.081 113 F CA -1.162 56.815 58.000 -0.039 0.000 0.954 113 F CB 1.805 40.762 39.000 -0.072 0.000 1.337 113 F HN -0.231 nan 8.300 nan 0.000 0.474 114 I N 2.197 123.082 120.570 0.525 0.000 2.619 114 I HA 0.407 4.577 4.170 -0.000 0.000 0.292 114 I C -1.686 174.780 176.117 0.582 0.000 1.100 114 I CA -0.662 60.963 61.300 0.541 0.000 1.043 114 I CB 1.704 39.950 38.000 0.411 0.000 1.239 114 I HN 0.427 nan 8.210 nan 0.000 0.420 115 L N 7.581 129.175 121.223 0.618 0.000 2.305 115 L HA 0.445 4.785 4.340 -0.000 0.000 0.281 115 L C -0.942 176.097 176.870 0.283 0.000 1.085 115 L CA -0.615 54.458 54.840 0.388 0.000 0.813 115 L CB 1.220 43.437 42.059 0.262 0.000 1.157 115 L HN 0.498 nan 8.230 nan 0.000 0.436 116 L N 4.059 125.385 121.223 0.172 0.000 2.322 116 L HA 0.462 4.802 4.340 -0.000 0.000 0.281 116 L C -0.163 176.774 176.870 0.112 0.000 1.014 116 L CA -0.457 54.400 54.840 0.028 0.000 0.815 116 L CB 1.821 43.653 42.059 -0.378 0.000 1.247 116 L HN 0.547 nan 8.230 nan 0.000 0.421 117 E N 2.938 123.176 120.200 0.063 0.000 2.134 117 E HA 0.415 4.765 4.350 -0.000 0.000 0.278 117 E C -1.520 175.107 176.600 0.045 0.000 0.959 117 E CA -0.483 55.845 56.400 -0.121 0.000 0.783 117 E CB 0.989 30.697 29.700 0.014 0.000 1.095 117 E HN 0.452 nan 8.360 nan 0.000 0.399 118 Y N 1.409 121.545 120.300 -0.274 0.000 2.805 118 Y HA 0.445 4.995 4.550 -0.000 0.000 0.323 118 Y C 0.119 175.942 175.900 -0.129 0.000 1.279 118 Y CA -1.820 56.207 58.100 -0.122 0.000 1.103 118 Y CB 0.214 38.649 38.460 -0.041 0.000 1.324 118 Y HN 0.405 nan 8.280 nan 0.000 0.498 119 N N -0.483 118.192 118.700 -0.042 0.000 2.696 119 N HA -0.303 4.437 4.740 -0.000 0.000 0.249 119 N C -0.925 174.550 175.510 -0.059 0.000 1.090 119 N CA 1.027 54.014 53.050 -0.104 0.000 0.716 119 N CB -1.598 36.709 38.487 -0.300 0.000 1.020 119 N HN 0.812 nan 8.380 nan 0.000 0.548 120 Y N 0.010 120.240 120.300 -0.116 0.000 2.717 120 Y HA 0.264 4.814 4.550 -0.000 0.000 0.330 120 Y C -0.033 175.840 175.900 -0.046 0.000 1.217 120 Y CA -0.070 57.981 58.100 -0.082 0.000 1.506 120 Y CB 0.671 39.047 38.460 -0.139 0.000 1.268 120 Y HN -0.019 nan 8.280 nan 0.000 0.561 121 V N 7.868 127.422 119.914 -0.600 0.000 2.447 121 V HA 0.237 4.357 4.120 -0.000 0.000 0.292 121 V C -0.241 175.464 176.094 -0.648 0.000 1.021 121 V CA -1.459 60.562 62.300 -0.464 0.000 0.850 121 V CB 1.243 32.939 31.823 -0.212 0.000 1.005 121 V HN 0.790 nan 8.190 nan 0.000 0.426 122 K N 3.504 123.538 120.400 -0.611 0.000 2.258 122 K HA 0.332 4.652 4.320 -0.000 0.000 0.264 122 K C 0.294 176.743 176.600 -0.252 0.000 1.007 122 K CA 0.024 56.112 56.287 -0.331 0.000 0.941 122 K CB 1.487 33.989 32.500 0.003 0.000 0.966 122 K HN 0.822 nan 8.250 nan 0.000 0.480 123 Q N 1.993 121.623 119.800 -0.282 0.000 2.362 123 Q HA 0.201 4.541 4.340 -0.000 0.000 0.190 123 Q C -0.190 175.528 176.000 -0.470 0.000 0.763 123 Q CA -0.414 55.022 55.803 -0.611 0.000 0.681 123 Q CB 0.224 28.462 28.738 -0.834 0.000 2.020 123 Q HN 0.716 nan 8.270 nan 0.000 0.483 124 W N -0.059 121.210 121.300 -0.051 0.000 2.093 124 W HA 0.452 5.112 4.660 -0.000 0.000 0.626 124 W C 1.656 178.126 176.519 -0.082 0.000 1.436 124 W CA -0.749 56.575 57.345 -0.036 0.000 1.314 124 W CB -0.200 29.185 29.460 -0.125 0.000 3.308 124 W HN 0.247 nan 8.180 nan 0.000 0.758 125 R N -0.465 120.109 120.500 0.123 0.000 2.091 125 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 125 R C 1.543 177.657 176.300 -0.309 0.000 1.136 125 R CA 2.273 58.275 56.100 -0.164 0.000 0.959 125 R CB -0.445 29.633 30.300 -0.370 0.000 0.856 125 R HN 0.578 nan 8.270 nan 0.000 0.437 126 H N -1.494 117.637 119.070 0.101 0.000 2.788 126 H HA 0.175 4.731 4.556 0.000 0.000 0.262 126 H C 0.391 175.831 175.328 0.186 0.000 0.968 126 H CA 0.261 56.400 56.048 0.152 0.000 1.218 126 H CB 0.610 30.444 29.762 0.119 0.000 1.443 126 H HN 0.142 nan 8.280 nan 0.000 0.478 127 S N 0.804 116.532 115.700 0.046 0.000 2.601 127 S HA 0.421 4.891 4.470 -0.000 0.000 0.271 127 S C -0.526 174.018 174.600 -0.095 0.000 1.305 127 S CA -0.599 57.405 58.200 -0.325 0.000 1.022 127 S CB 0.841 63.278 63.200 -1.272 0.000 0.940 127 S HN 0.462 nan 8.310 nan 0.000 0.525 128 Y N -2.224 117.987 120.300 -0.149 0.000 2.779 128 Y HA 0.734 5.284 4.550 -0.000 0.000 0.340 128 Y C -0.818 175.079 175.900 -0.005 0.000 1.252 128 Y CA -1.073 56.917 58.100 -0.183 0.000 1.072 128 Y CB 0.974 39.267 38.460 -0.279 0.000 1.343 128 Y HN 0.712 nan 8.280 nan 0.000 0.450 129 T N 0.812 115.397 114.554 0.052 0.000 2.916 129 T HA 0.929 5.279 4.350 -0.000 0.000 0.292 129 T C -1.173 173.583 174.700 0.093 0.000 1.055 129 T CA 0.136 62.265 62.100 0.049 0.000 1.009 129 T CB 1.279 70.139 68.868 -0.014 0.000 1.118 129 T HN 1.542 nan 8.240 nan 0.000 0.497 130 A N 1.656 124.523 122.820 0.077 0.000 2.564 130 A HA 0.782 5.102 4.320 -0.000 0.000 0.291 130 A C -0.898 176.492 177.584 -0.324 0.000 1.102 130 A CA -0.671 51.302 52.037 -0.106 0.000 0.660 130 A CB 1.270 20.245 19.000 -0.042 0.000 1.283 130 A HN 0.717 nan 8.150 nan 0.000 0.430 131 S N -1.056 114.173 115.700 -0.785 0.000 2.664 131 S HA 0.839 5.309 4.470 -0.000 0.000 0.304 131 S C -1.679 172.265 174.600 -1.094 0.000 1.099 131 S CA -0.105 57.566 58.200 -0.880 0.000 1.003 131 S CB 0.840 63.236 63.200 -1.340 0.000 1.092 131 S HN 0.466 nan 8.310 nan 0.000 0.525 132 Y N 0.302 120.489 120.300 -0.188 0.000 2.433 132 Y HA 0.411 4.961 4.550 0.000 0.000 0.337 132 Y C -0.422 175.591 175.900 0.188 0.000 1.026 132 Y CA -0.881 57.243 58.100 0.041 0.000 1.037 132 Y CB 1.643 40.023 38.460 -0.134 0.000 1.245 132 Y HN 0.499 nan 8.280 nan 0.000 0.443 133 D N 2.970 123.587 120.400 0.363 0.000 2.340 133 D HA 0.590 5.230 4.640 -0.000 0.000 0.240 133 D C -0.746 175.660 176.300 0.177 0.000 1.001 133 D CA -0.319 53.825 54.000 0.239 0.000 0.888 133 D CB 2.512 43.444 40.800 0.220 0.000 1.310 133 D HN 0.403 nan 8.370 nan 0.000 0.474 134 I N 1.552 122.235 120.570 0.188 0.000 2.433 134 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 134 I C -0.995 175.325 176.117 0.338 0.000 1.001 134 I CA -0.978 60.478 61.300 0.261 0.000 1.119 134 I CB 1.754 39.885 38.000 0.218 0.000 1.289 134 I HN 0.231 nan 8.210 nan 0.000 0.438 135 Y N 5.245 125.698 120.300 0.254 0.000 2.328 135 Y HA 0.272 4.822 4.550 -0.000 0.000 0.337 135 Y C -0.195 175.847 175.900 0.236 0.000 0.966 135 Y CA -0.610 57.633 58.100 0.239 0.000 1.136 135 Y CB 1.097 39.734 38.460 0.294 0.000 1.170 135 Y HN 0.496 nan 8.280 nan 0.000 0.470 136 D N 5.920 126.213 120.400 -0.178 0.000 2.325 136 D HA 0.078 4.718 4.640 -0.000 0.000 0.251 136 D C 0.585 176.552 176.300 -0.554 0.000 1.196 136 D CA 0.265 54.048 54.000 -0.362 0.000 0.866 136 D CB 1.191 41.844 40.800 -0.246 0.000 1.101 136 D HN 0.840 nan 8.370 nan 0.000 0.476 137 L N 3.695 124.636 121.223 -0.470 0.000 2.027 137 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 137 L C 1.911 178.601 176.870 -0.300 0.000 1.074 137 L CA 0.664 55.324 54.840 -0.300 0.000 0.745 137 L CB -0.279 41.652 42.059 -0.212 0.000 0.898 137 L HN 0.472 nan 8.230 nan 0.000 0.433 138 N N 0.656 119.166 118.700 -0.317 0.000 2.567 138 N HA -0.014 4.726 4.740 -0.000 0.000 0.195 138 N C -0.366 175.027 175.510 -0.196 0.000 1.242 138 N CA 0.621 53.537 53.050 -0.222 0.000 0.884 138 N CB 0.202 38.576 38.487 -0.189 0.000 1.007 138 N HN 0.437 nan 8.380 nan 0.000 0.450 139 K N -0.491 119.763 120.400 -0.244 0.000 2.509 139 K HA 0.372 4.692 4.320 -0.000 0.000 0.266 139 K C -0.217 176.215 176.600 -0.280 0.000 0.987 139 K CA -0.715 55.447 56.287 -0.209 0.000 0.868 139 K CB 1.737 34.126 32.500 -0.186 0.000 1.421 139 K HN -0.179 nan 8.250 nan 0.000 0.444 140 R N 1.601 121.978 120.500 -0.206 0.000 4.031 140 R HA 0.101 4.441 4.340 -0.000 0.000 0.269 140 R C -0.488 175.656 176.300 -0.259 0.000 1.668 140 R CA 0.082 56.069 56.100 -0.189 0.000 1.432 140 R CB 0.043 30.309 30.300 -0.056 0.000 1.374 140 R HN 0.370 nan 8.270 nan 0.000 0.681 141 Q N 0.934 120.436 119.800 -0.497 0.000 2.321 141 Q HA 0.320 4.660 4.340 -0.000 0.000 0.270 141 Q C -0.709 175.163 176.000 -0.214 0.000 1.032 141 Q CA -0.720 54.928 55.803 -0.259 0.000 0.784 141 Q CB 2.863 31.522 28.738 -0.131 0.000 1.264 141 Q HN 0.220 nan 8.270 nan 0.000 0.448 142 L N 3.909 125.188 121.223 0.094 0.000 2.410 142 L HA 0.215 4.555 4.340 -0.000 0.000 0.273 142 L C 0.365 177.309 176.870 0.123 0.000 1.152 142 L CA -0.317 54.653 54.840 0.218 0.000 0.855 142 L CB 0.251 42.497 42.059 0.312 0.000 1.129 142 L HN 0.598 nan 8.230 nan 0.000 0.463 143 I N 0.870 121.517 120.570 0.128 0.000 2.529 143 I HA 0.103 4.273 4.170 -0.000 0.000 0.284 143 I C 0.696 176.862 176.117 0.082 0.000 1.082 143 I CA 0.375 61.730 61.300 0.091 0.000 1.406 143 I CB 1.317 39.373 38.000 0.093 0.000 1.405 143 I HN 0.471 nan 8.210 nan 0.000 0.548 144 T N 4.471 119.058 114.554 0.056 0.000 3.023 144 T HA 0.227 4.577 4.350 -0.000 0.000 0.253 144 T C 0.321 175.032 174.700 0.019 0.000 1.038 144 T CA 0.261 62.389 62.100 0.046 0.000 0.962 144 T CB -0.176 68.716 68.868 0.041 0.000 1.018 144 T HN 0.694 nan 8.240 nan 0.000 0.521 145 E N 1.366 121.571 120.200 0.008 0.000 2.221 145 E HA 0.292 4.642 4.350 -0.000 0.000 0.268 145 E C -0.533 176.047 176.600 -0.033 0.000 0.933 145 E CA -0.642 55.750 56.400 -0.013 0.000 0.809 145 E CB 1.028 30.722 29.700 -0.009 0.000 1.190 145 E HN 0.031 nan 8.360 nan 0.000 0.406 146 E N 1.210 121.377 120.200 -0.057 0.000 2.269 146 E HA -0.244 4.106 4.350 -0.000 0.000 0.223 146 E C -0.619 175.918 176.600 -0.105 0.000 1.244 146 E CA 0.789 57.139 56.400 -0.084 0.000 0.713 146 E CB -1.311 28.348 29.700 -0.068 0.000 1.178 146 E HN 0.460 nan 8.360 nan 0.000 0.370 147 R N -0.212 120.220 120.500 -0.112 0.000 2.738 147 R HA 0.339 4.679 4.340 -0.000 0.000 0.268 147 R C 1.222 177.365 176.300 -0.261 0.000 1.062 147 R CA -0.441 55.582 56.100 -0.128 0.000 1.158 147 R CB 0.529 30.784 30.300 -0.076 0.000 1.046 147 R HN 0.141 nan 8.270 nan 0.000 0.493 148 I N 3.875 124.255 120.570 -0.317 0.000 2.648 148 I HA 0.035 4.205 4.170 -0.000 0.000 0.284 148 I C -1.666 174.173 176.117 -0.462 0.000 1.153 148 I CA -1.578 59.364 61.300 -0.597 0.000 1.426 148 I CB 0.530 38.216 38.000 -0.523 0.000 1.381 148 I HN 0.321 nan 8.210 nan 0.000 0.571 149 P HA 0.149 nan 4.420 nan 0.000 0.274 149 P C -0.927 176.236 177.300 -0.229 0.000 1.256 149 P CA -0.491 62.302 63.100 -0.511 0.000 0.795 149 P CB 0.435 31.480 31.700 -1.091 0.000 1.038 150 N N 1.177 119.817 118.700 -0.100 0.000 2.381 150 N HA 0.055 4.795 4.740 -0.000 0.000 0.254 150 N C 0.591 176.192 175.510 0.152 0.000 1.264 150 N CA -0.004 53.025 53.050 -0.035 0.000 0.942 150 N CB -0.516 37.940 38.487 -0.053 0.000 1.190 150 N HN 0.390 nan 8.380 nan 0.000 0.495 151 N N -1.452 117.299 118.700 0.086 0.000 2.708 151 N HA -0.164 4.576 4.740 -0.000 0.000 0.251 151 N C -0.760 174.901 175.510 0.251 0.000 1.123 151 N CA 0.815 53.941 53.050 0.128 0.000 0.739 151 N CB -1.744 36.806 38.487 0.105 0.000 1.113 151 N HN 0.488 nan 8.380 nan 0.000 0.561 152 T N 0.751 115.469 114.554 0.273 0.000 2.928 152 T HA 0.058 4.408 4.350 -0.000 0.000 0.305 152 T C 1.699 176.517 174.700 0.196 0.000 1.035 152 T CA 0.277 62.546 62.100 0.282 0.000 1.145 152 T CB 0.905 69.861 68.868 0.146 0.000 0.963 152 T HN 0.192 nan 8.240 nan 0.000 0.545 153 Q N 1.537 121.435 119.800 0.163 0.000 2.373 153 Q HA 0.181 4.521 4.340 -0.000 0.000 0.210 153 Q C 0.101 176.165 176.000 0.108 0.000 0.913 153 Q CA 0.255 56.139 55.803 0.134 0.000 0.911 153 Q CB 0.899 29.686 28.738 0.082 0.000 1.040 153 Q HN 0.707 nan 8.270 nan 0.000 0.521 154 W N 0.036 121.238 121.300 -0.163 0.000 3.571 154 W HA 0.475 5.135 4.660 -0.000 0.000 0.294 154 W C -2.300 174.111 176.519 -0.181 0.000 1.257 154 W CA -0.562 56.654 57.345 -0.215 0.000 1.206 154 W CB 1.200 30.480 29.460 -0.300 0.000 1.325 154 W HN -0.343 nan 8.180 nan 0.000 0.546 155 V N 3.188 122.311 119.914 -1.319 0.000 3.049 155 V HA 0.786 4.906 4.120 -0.000 0.000 0.309 155 V C -0.587 174.920 176.094 -0.979 0.000 1.148 155 V CA -0.544 61.206 62.300 -0.917 0.000 0.990 155 V CB 2.460 33.676 31.823 -1.012 0.000 1.039 155 V HN 0.510 nan 8.190 nan 0.000 0.430 156 T N 1.331 115.617 114.554 -0.447 0.000 3.435 156 T HA 0.299 4.649 4.350 -0.000 0.000 0.344 156 T C -1.254 173.479 174.700 0.054 0.000 1.211 156 T CA -0.588 61.422 62.100 -0.150 0.000 1.104 156 T CB 0.852 69.875 68.868 0.258 0.000 1.196 156 T HN 0.542 nan 8.240 nan 0.000 0.471 157 W N 3.189 124.542 121.300 0.088 0.000 2.181 157 W HA 0.374 5.034 4.660 0.000 0.000 0.335 157 W C 1.271 177.665 176.519 -0.209 0.000 1.310 157 W CA -0.541 56.798 57.345 -0.010 0.000 1.226 157 W CB 0.371 29.827 29.460 -0.008 0.000 1.155 157 W HN 0.739 nan 8.180 nan 0.000 0.565 158 S N 2.604 117.994 115.700 -0.517 0.000 2.563 158 S HA -0.016 4.454 4.470 -0.000 0.000 0.269 158 S C -1.722 172.665 174.600 -0.355 0.000 1.364 158 S CA -0.814 56.646 58.200 -1.233 0.000 1.010 158 S CB 0.279 62.654 63.200 -1.375 0.000 0.877 158 S HN 0.334 nan 8.310 nan 0.000 0.549 159 P HA 0.075 nan 4.420 nan 0.000 0.226 159 P C 0.197 177.462 177.300 -0.058 0.000 1.153 159 P CA 0.653 63.726 63.100 -0.045 0.000 0.777 159 P CB -0.172 31.532 31.700 0.006 0.000 0.794 160 V N -6.849 112.985 119.914 -0.133 0.000 3.114 160 V HA 0.877 4.997 4.120 -0.000 0.000 0.308 160 V C 0.437 176.432 176.094 -0.165 0.000 1.168 160 V CA -0.298 61.936 62.300 -0.110 0.000 1.015 160 V CB 1.176 32.944 31.823 -0.092 0.000 1.050 160 V HN 0.359 nan 8.190 nan 0.000 0.433 161 G N 2.397 111.104 108.800 -0.155 0.000 2.527 161 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.268 161 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.268 161 G C 0.219 175.005 174.900 -0.190 0.000 1.175 161 G CA 0.990 45.946 45.100 -0.241 0.000 0.962 161 G HN 2.685 nan 8.290 nan 0.000 0.560 162 H N -1.057 117.969 119.070 -0.074 0.000 3.186 162 H HA 0.522 5.078 4.556 -0.000 0.000 0.219 162 H C -0.091 175.318 175.328 0.135 0.000 1.393 162 H CA -0.417 55.605 56.048 -0.044 0.000 1.183 162 H CB -0.147 29.564 29.762 -0.084 0.000 2.346 162 H HN 0.458 nan 8.280 nan 0.000 0.535 163 K N 1.732 122.248 120.400 0.193 0.000 2.098 163 K HA 0.531 4.851 4.320 -0.000 0.000 0.261 163 K C -0.643 176.099 176.600 0.237 0.000 0.987 163 K CA -0.804 55.573 56.287 0.151 0.000 0.916 163 K CB 2.273 34.681 32.500 -0.153 0.000 1.039 163 K HN 0.221 nan 8.250 nan 0.000 0.455 164 L N 1.516 122.897 121.223 0.265 0.000 2.362 164 L HA 0.504 4.844 4.340 -0.000 0.000 0.275 164 L C -0.796 176.293 176.870 0.366 0.000 0.998 164 L CA -0.746 54.210 54.840 0.193 0.000 0.820 164 L CB 2.046 44.089 42.059 -0.027 0.000 1.270 164 L HN 0.663 nan 8.230 nan 0.000 0.415 165 A N 3.131 126.179 122.820 0.380 0.000 2.331 165 A HA 0.783 5.103 4.320 -0.000 0.000 0.320 165 A C -1.370 176.267 177.584 0.087 0.000 1.138 165 A CA -0.368 51.769 52.037 0.167 0.000 0.790 165 A CB 0.817 19.811 19.000 -0.010 0.000 1.206 165 A HN 0.651 nan 8.150 nan 0.000 0.470 166 Y N -0.167 120.101 120.300 -0.054 0.000 2.605 166 Y HA 0.805 5.355 4.550 -0.000 0.000 0.343 166 Y C -1.037 174.882 175.900 0.031 0.000 1.036 166 Y CA -1.628 56.416 58.100 -0.093 0.000 1.065 166 Y CB 1.214 39.557 38.460 -0.195 0.000 1.288 166 Y HN 0.362 nan 8.280 nan 0.000 0.481 167 V N 1.749 121.804 119.914 0.235 0.000 2.495 167 V HA 0.370 4.490 4.120 -0.000 0.000 0.298 167 V C -1.514 174.793 176.094 0.356 0.000 1.031 167 V CA -0.699 61.714 62.300 0.187 0.000 0.871 167 V CB 1.393 33.244 31.823 0.046 0.000 0.988 167 V HN 0.888 nan 8.190 nan 0.000 0.432 168 W N 4.926 126.315 121.300 0.148 0.000 3.211 168 W HA 0.464 5.124 4.660 -0.000 0.000 0.335 168 W C 0.256 176.817 176.519 0.070 0.000 1.113 168 W CA -0.577 56.829 57.345 0.103 0.000 1.235 168 W CB 1.322 30.831 29.460 0.082 0.000 1.365 168 W HN 0.784 nan 8.180 nan 0.000 0.476 169 N N 4.886 123.267 118.700 -0.532 0.000 2.721 169 N HA -0.347 4.393 4.740 -0.000 0.000 0.249 169 N C 0.009 175.392 175.510 -0.212 0.000 1.072 169 N CA 1.030 53.782 53.050 -0.496 0.000 0.710 169 N CB -1.061 36.972 38.487 -0.756 0.000 0.993 169 N HN 0.729 nan 8.380 nan 0.000 0.547 170 N N -2.066 116.561 118.700 -0.122 0.000 2.909 170 N HA -0.152 4.588 4.740 -0.000 0.000 0.242 170 N C -1.459 173.992 175.510 -0.099 0.000 0.975 170 N CA 1.693 54.684 53.050 -0.098 0.000 0.921 170 N CB -0.461 37.925 38.487 -0.170 0.000 1.112 170 N HN 0.522 nan 8.380 nan 0.000 0.581 171 D N -0.055 120.299 120.400 -0.076 0.000 2.340 171 D HA 0.477 5.117 4.640 -0.000 0.000 0.240 171 D C 0.482 176.649 176.300 -0.223 0.000 1.001 171 D CA -0.435 53.448 54.000 -0.195 0.000 0.888 171 D CB 1.306 41.938 40.800 -0.279 0.000 1.310 171 D HN 0.016 nan 8.370 nan 0.000 0.474 172 I N 1.423 121.701 120.570 -0.488 0.000 2.440 172 I HA 0.233 4.403 4.170 -0.000 0.000 0.294 172 I C -0.668 174.912 176.117 -0.894 0.000 0.995 172 I CA -0.447 60.530 61.300 -0.538 0.000 1.306 172 I CB 0.575 38.200 38.000 -0.624 0.000 1.407 172 I HN 0.161 nan 8.210 nan 0.000 0.501 173 Y N 3.859 123.791 120.300 -0.612 0.000 2.442 173 Y HA 0.569 5.119 4.550 -0.000 0.000 0.344 173 Y C -0.352 175.224 175.900 -0.540 0.000 0.976 173 Y CA -0.812 56.866 58.100 -0.703 0.000 1.040 173 Y CB 2.151 39.795 38.460 -1.360 0.000 1.228 173 Y HN 0.124 nan 8.280 nan 0.000 0.451 174 V N 3.393 123.253 119.914 -0.089 0.000 2.604 174 V HA 0.489 4.609 4.120 -0.000 0.000 0.305 174 V C -0.797 175.450 176.094 0.256 0.000 1.043 174 V CA -1.360 61.001 62.300 0.102 0.000 0.888 174 V CB 2.045 33.951 31.823 0.139 0.000 0.995 174 V HN 0.619 nan 8.190 nan 0.000 0.429 175 K N 3.888 124.442 120.400 0.256 0.000 2.323 175 K HA 0.520 4.840 4.320 -0.000 0.000 0.259 175 K C 0.243 176.995 176.600 0.254 0.000 0.947 175 K CA -0.778 55.648 56.287 0.232 0.000 0.819 175 K CB 2.005 34.592 32.500 0.146 0.000 1.109 175 K HN 0.401 nan 8.250 nan 0.000 0.429 176 I N 1.240 121.974 120.570 0.272 0.000 2.406 176 I HA -0.049 4.121 4.170 -0.000 0.000 0.249 176 I C 0.406 176.650 176.117 0.211 0.000 1.122 176 I CA 1.432 62.868 61.300 0.227 0.000 1.431 176 I CB -0.242 37.890 38.000 0.219 0.000 1.087 176 I HN 0.580 nan 8.210 nan 0.000 0.424 177 E N 0.090 120.375 120.200 0.141 0.000 2.266 177 E HA 0.275 4.625 4.350 -0.000 0.000 0.268 177 E C -1.954 174.589 176.600 -0.094 0.000 0.879 177 E CA -1.876 54.536 56.400 0.020 0.000 0.762 177 E CB 1.809 31.531 29.700 0.037 0.000 1.199 177 E HN -0.150 nan 8.360 nan 0.000 0.422 178 P HA -0.184 nan 4.420 nan 0.000 0.216 178 P C 0.777 177.998 177.300 -0.131 0.000 1.150 178 P CA 1.440 64.361 63.100 -0.298 0.000 0.843 178 P CB 0.214 31.471 31.700 -0.737 0.000 0.787 179 N N -1.699 116.953 118.700 -0.081 0.000 2.398 179 N HA -0.003 4.737 4.740 -0.000 0.000 0.188 179 N C 0.165 175.662 175.510 -0.022 0.000 1.122 179 N CA 0.451 53.487 53.050 -0.023 0.000 0.866 179 N CB -0.462 38.033 38.487 0.014 0.000 0.970 179 N HN 0.051 nan 8.380 nan 0.000 0.462 180 L N 0.666 121.874 121.223 -0.025 0.000 2.358 180 L HA 0.598 4.938 4.340 -0.000 0.000 0.268 180 L C -2.144 174.690 176.870 -0.060 0.000 1.032 180 L CA -2.387 52.437 54.840 -0.026 0.000 0.805 180 L CB 0.883 42.943 42.059 0.003 0.000 1.253 180 L HN -0.152 nan 8.230 nan 0.000 0.452 181 P HA 0.004 nan 4.420 nan 0.000 0.264 181 P C -0.498 176.666 177.300 -0.228 0.000 1.179 181 P CA 0.069 63.074 63.100 -0.158 0.000 0.763 181 P CB 0.338 31.921 31.700 -0.194 0.000 0.806 182 S N 2.543 118.156 115.700 -0.146 0.000 2.617 182 S HA 0.358 4.828 4.470 -0.000 0.000 0.269 182 S C -0.754 173.709 174.600 -0.229 0.000 1.292 182 S CA -0.350 57.802 58.200 -0.080 0.000 1.010 182 S CB 0.151 63.409 63.200 0.097 0.000 0.944 182 S HN 0.246 nan 8.310 nan 0.000 0.536 183 Y N 0.406 120.732 120.300 0.043 0.000 2.330 183 Y HA 0.462 5.012 4.550 0.000 0.000 0.336 183 Y C 0.774 176.592 175.900 -0.137 0.000 1.036 183 Y CA -0.823 57.273 58.100 -0.006 0.000 1.125 183 Y CB 1.112 39.565 38.460 -0.012 0.000 1.194 183 Y HN 0.713 nan 8.280 nan 0.000 0.469 184 R N 3.760 124.203 120.500 -0.094 0.000 2.216 184 R HA 0.250 4.590 4.340 -0.000 0.000 0.332 184 R C 0.070 176.085 176.300 -0.475 0.000 1.056 184 R CA -0.048 55.684 56.100 -0.613 0.000 0.901 184 R CB 0.170 29.987 30.300 -0.805 0.000 1.039 184 R HN 0.769 nan 8.270 nan 0.000 0.456 185 I N 2.389 122.605 120.570 -0.590 0.000 2.585 185 I HA -0.019 4.151 4.170 -0.000 0.000 0.254 185 I C 1.073 176.951 176.117 -0.398 0.000 1.129 185 I CA 0.884 61.955 61.300 -0.382 0.000 1.455 185 I CB -0.777 36.972 38.000 -0.418 0.000 1.111 185 I HN 0.651 nan 8.210 nan 0.000 0.433 186 T N -3.968 110.220 114.554 -0.609 0.000 2.932 186 T HA 0.415 4.765 4.350 -0.000 0.000 0.289 186 T C -0.461 173.921 174.700 -0.530 0.000 1.039 186 T CA -0.493 61.350 62.100 -0.427 0.000 1.024 186 T CB 2.162 70.775 68.868 -0.424 0.000 1.090 186 T HN 0.216 nan 8.240 nan 0.000 0.496 187 W N -0.258 120.939 121.300 -0.171 0.000 2.079 187 W HA 0.201 4.861 4.660 -0.000 0.000 0.285 187 W C 1.945 178.417 176.519 -0.078 0.000 0.891 187 W CA -0.071 57.212 57.345 -0.103 0.000 1.308 187 W CB 0.537 29.951 29.460 -0.076 0.000 1.047 187 W HN 0.916 nan 8.180 nan 0.000 0.522 188 T N -2.540 112.055 114.554 0.069 0.000 3.081 188 T HA 0.262 4.612 4.350 -0.000 0.000 0.250 188 T C 1.282 175.980 174.700 -0.003 0.000 1.100 188 T CA 0.309 62.433 62.100 0.041 0.000 1.038 188 T CB -0.189 68.694 68.868 0.026 0.000 0.962 188 T HN -0.008 nan 8.240 nan 0.000 0.516 189 G N 1.248 110.020 108.800 -0.047 0.000 2.391 189 G HA2 0.366 4.326 3.960 -0.000 0.000 0.234 189 G HA3 0.366 4.326 3.960 -0.000 0.000 0.234 189 G C -0.612 174.235 174.900 -0.088 0.000 1.284 189 G CA -0.427 44.623 45.100 -0.083 0.000 0.873 189 G HN 0.578 nan 8.290 nan 0.000 0.549 190 K N 1.516 121.837 120.400 -0.132 0.000 2.589 190 K HA 0.166 4.486 4.320 -0.000 0.000 0.253 190 K C -0.287 176.197 176.600 -0.194 0.000 0.974 190 K CA -0.621 55.591 56.287 -0.126 0.000 0.835 190 K CB 1.530 33.989 32.500 -0.068 0.000 1.272 190 K HN 0.587 nan 8.250 nan 0.000 0.444 191 E N 2.859 122.956 120.200 -0.171 0.000 2.608 191 E HA -0.134 4.216 4.350 -0.000 0.000 0.259 191 E C -0.556 175.948 176.600 -0.160 0.000 0.951 191 E CA 1.111 57.404 56.400 -0.180 0.000 0.945 191 E CB 0.279 29.908 29.700 -0.118 0.000 0.916 191 E HN 0.661 nan 8.360 nan 0.000 0.477 192 D N 2.317 122.591 120.400 -0.209 0.000 3.077 192 D HA -0.238 4.402 4.640 -0.000 0.000 0.217 192 D C 0.490 176.822 176.300 0.052 0.000 1.162 192 D CA 1.490 55.492 54.000 0.004 0.000 0.943 192 D CB -0.929 39.916 40.800 0.076 0.000 1.122 192 D HN 0.493 nan 8.370 nan 0.000 0.413 193 I N -1.519 118.989 120.570 -0.104 0.000 3.680 193 I HA 0.073 4.243 4.170 -0.000 0.000 0.261 193 I C 0.345 176.515 176.117 0.089 0.000 1.121 193 I CA -0.122 61.210 61.300 0.053 0.000 1.429 193 I CB 0.588 38.596 38.000 0.014 0.000 1.719 193 I HN -0.180 nan 8.210 nan 0.000 0.413 194 I N 2.087 122.618 120.570 -0.066 0.000 2.382 194 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 194 I C -1.385 174.693 176.117 -0.065 0.000 1.002 194 I CA -0.424 60.904 61.300 0.047 0.000 1.135 194 I CB 0.811 38.834 38.000 0.038 0.000 1.288 194 I HN 0.054 nan 8.210 nan 0.000 0.448 195 Y N 4.716 125.117 120.300 0.170 0.000 2.328 195 Y HA 0.402 4.952 4.550 -0.000 0.000 0.337 195 Y C 0.498 176.496 175.900 0.163 0.000 0.966 195 Y CA -0.840 57.368 58.100 0.180 0.000 1.136 195 Y CB 0.971 39.604 38.460 0.289 0.000 1.170 195 Y HN 0.407 nan 8.280 nan 0.000 0.470 196 N N 2.084 120.879 118.700 0.159 0.000 2.446 196 N HA 0.320 5.060 4.740 -0.000 0.000 0.265 196 N C 0.785 176.276 175.510 -0.032 0.000 0.975 196 N CA 0.379 53.457 53.050 0.047 0.000 0.928 196 N CB 1.869 40.267 38.487 -0.149 0.000 1.160 196 N HN 0.985 nan 8.380 nan 0.000 0.495 197 G N 1.715 110.544 108.800 0.049 0.000 2.168 197 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.263 197 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.263 197 G C 0.171 174.998 174.900 -0.123 0.000 0.977 197 G CA 0.941 45.998 45.100 -0.070 0.000 0.659 197 G HN 0.661 nan 8.290 nan 0.000 0.533 198 I N -2.493 118.084 120.570 0.011 0.000 3.042 198 I HA 0.830 5.000 4.170 -0.000 0.000 0.310 198 I C 0.401 176.611 176.117 0.155 0.000 1.117 198 I CA -0.679 60.548 61.300 -0.121 0.000 1.003 198 I CB 1.900 39.623 38.000 -0.462 0.000 1.228 198 I HN 0.144 nan 8.210 nan 0.000 0.443 199 T N -0.630 113.924 114.554 -0.000 0.000 2.881 199 T HA 0.471 4.821 4.350 -0.000 0.000 0.278 199 T C -0.367 174.093 174.700 -0.401 0.000 0.982 199 T CA -0.594 61.237 62.100 -0.449 0.000 0.989 199 T CB 1.426 70.106 68.868 -0.313 0.000 1.058 199 T HN 0.777 nan 8.240 nan 0.000 0.529 200 D N -1.047 118.913 120.400 -0.732 0.000 2.588 200 D HA 0.126 4.766 4.640 -0.000 0.000 0.268 200 D C 0.964 177.150 176.300 -0.189 0.000 1.176 200 D CA -1.214 52.392 54.000 -0.658 0.000 1.080 200 D CB -0.047 40.195 40.800 -0.930 0.000 1.186 200 D HN 0.673 nan 8.370 nan 0.000 0.619 201 W N 0.072 121.268 121.300 -0.173 0.000 2.301 201 W HA -0.275 4.385 4.660 -0.000 0.000 0.325 201 W C 2.072 178.431 176.519 -0.267 0.000 1.250 201 W CA 3.288 60.520 57.345 -0.188 0.000 1.261 201 W CB -0.314 28.992 29.460 -0.255 0.000 1.157 201 W HN 0.213 nan 8.180 nan 0.000 0.473 202 V N -2.254 117.733 119.914 0.122 0.000 2.548 202 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 202 V C 1.683 177.570 176.094 -0.344 0.000 1.055 202 V CA 1.608 63.859 62.300 -0.083 0.000 1.065 202 V CB -1.693 30.039 31.823 -0.151 0.000 0.681 202 V HN 0.255 nan 8.190 nan 0.000 0.462 203 Y N 1.294 121.335 120.300 -0.430 0.000 2.314 203 Y HA -0.082 4.468 4.550 -0.000 0.000 0.293 203 Y C 2.775 178.398 175.900 -0.461 0.000 1.129 203 Y CA 1.878 59.627 58.100 -0.585 0.000 1.201 203 Y CB -0.087 37.785 38.460 -0.978 0.000 0.999 203 Y HN 0.383 nan 8.280 nan 0.000 0.541 204 E N 0.413 120.467 120.200 -0.243 0.000 2.028 204 E HA -0.278 4.072 4.350 -0.000 0.000 0.191 204 E C 2.030 178.533 176.600 -0.162 0.000 0.988 204 E CA 1.521 57.839 56.400 -0.137 0.000 0.799 204 E CB -0.024 29.619 29.700 -0.095 0.000 0.755 204 E HN 0.390 nan 8.360 nan 0.000 0.447 205 E N 0.275 120.215 120.200 -0.433 0.000 2.046 205 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 205 E C 1.703 178.168 176.600 -0.226 0.000 0.982 205 E CA 1.675 57.814 56.400 -0.436 0.000 0.800 205 E CB 0.148 29.268 29.700 -0.967 0.000 0.756 205 E HN 0.256 nan 8.360 nan 0.000 0.449 206 E N -0.950 119.092 120.200 -0.263 0.000 2.413 206 E HA 0.098 4.448 4.350 -0.000 0.000 0.203 206 E C 1.763 178.238 176.600 -0.209 0.000 0.957 206 E CA 0.338 56.634 56.400 -0.173 0.000 0.950 206 E CB 0.988 30.576 29.700 -0.185 0.000 0.957 206 E HN 0.187 nan 8.360 nan 0.000 0.497 207 V N -0.141 119.593 119.914 -0.299 0.000 2.743 207 V HA 0.033 4.153 4.120 -0.000 0.000 0.237 207 V C 1.371 177.502 176.094 0.062 0.000 1.113 207 V CA 0.759 62.899 62.300 -0.267 0.000 1.141 207 V CB -0.073 31.375 31.823 -0.626 0.000 0.873 207 V HN 0.042 nan 8.190 nan 0.000 0.486 208 F N 0.377 120.330 119.950 0.005 0.000 2.717 208 F HA 0.350 4.877 4.527 -0.000 0.000 0.295 208 F C 1.578 177.329 175.800 -0.081 0.000 1.117 208 F CA -0.148 57.867 58.000 0.025 0.000 1.361 208 F CB -0.572 38.479 39.000 0.086 0.000 1.112 208 F HN 0.130 nan 8.300 nan 0.000 0.594 209 S N 0.160 115.877 115.700 0.029 0.000 3.635 209 S HA 0.040 4.510 4.470 -0.000 0.000 0.328 209 S C 0.127 174.285 174.600 -0.736 0.000 1.135 209 S CA 0.496 58.552 58.200 -0.240 0.000 0.942 209 S CB -1.742 61.370 63.200 -0.146 0.000 0.930 209 S HN 0.691 nan 8.310 nan 0.000 0.512 210 A N -0.586 122.043 122.820 -0.319 0.000 2.608 210 A HA 0.690 5.010 4.320 -0.000 0.000 0.292 210 A C -0.248 177.335 177.584 -0.001 0.000 1.066 210 A CA -0.460 51.428 52.037 -0.249 0.000 0.676 210 A CB 0.260 19.131 19.000 -0.215 0.000 1.277 210 A HN 0.327 nan 8.150 nan 0.000 0.413 211 Y N 1.156 121.360 120.300 -0.160 0.000 2.395 211 Y HA 0.167 4.717 4.550 -0.000 0.000 0.293 211 Y C 1.490 177.177 175.900 -0.356 0.000 1.123 211 Y CA 1.042 59.048 58.100 -0.156 0.000 1.227 211 Y CB -0.107 38.301 38.460 -0.086 0.000 1.012 211 Y HN 0.614 nan 8.280 nan 0.000 0.552 212 S N 0.015 115.322 115.700 -0.654 0.000 2.572 212 S HA 0.460 4.930 4.470 -0.000 0.000 0.279 212 S C 0.399 174.622 174.600 -0.628 0.000 1.341 212 S CA 0.305 57.826 58.200 -1.132 0.000 1.043 212 S CB 0.491 62.736 63.200 -1.590 0.000 0.887 212 S HN 0.404 nan 8.310 nan 0.000 0.516 213 A N 4.243 126.655 122.820 -0.680 0.000 2.709 213 A HA 0.471 4.791 4.320 -0.000 0.000 0.241 213 A C -0.972 175.988 177.584 -1.039 0.000 0.879 213 A CA -0.332 51.297 52.037 -0.680 0.000 1.120 213 A CB 0.109 19.220 19.000 0.185 0.000 1.226 213 A HN 0.537 nan 8.150 nan 0.000 0.468 214 L N 0.368 120.921 121.223 -1.117 0.000 2.334 214 L HA 0.728 5.068 4.340 -0.000 0.000 0.276 214 L C -1.065 175.352 176.870 -0.754 0.000 1.014 214 L CA -0.439 54.004 54.840 -0.661 0.000 0.815 214 L CB 1.056 42.915 42.059 -0.333 0.000 1.268 214 L HN 0.400 nan 8.230 nan 0.000 0.428 215 W N 3.103 124.456 121.300 0.087 0.000 2.728 215 W HA 0.177 4.837 4.660 0.000 0.000 0.324 215 W C -1.069 175.645 176.519 0.325 0.000 1.012 215 W CA -1.128 56.357 57.345 0.232 0.000 1.279 215 W CB 1.012 30.642 29.460 0.283 0.000 1.289 215 W HN 0.489 nan 8.180 nan 0.000 0.418 216 W N 1.682 123.181 121.300 0.331 0.000 2.170 216 W HA 0.256 4.916 4.660 -0.000 0.000 0.336 216 W C 1.231 177.630 176.519 -0.200 0.000 1.283 216 W CA 0.585 58.006 57.345 0.126 0.000 1.224 216 W CB 0.837 30.342 29.460 0.076 0.000 1.132 216 W HN 0.073 nan 8.180 nan 0.000 0.571 217 S N 2.208 117.735 115.700 -0.288 0.000 2.589 217 S HA 0.084 4.554 4.470 -0.000 0.000 0.265 217 S C -1.363 172.976 174.600 -0.435 0.000 1.342 217 S CA -0.965 56.524 58.200 -1.185 0.000 1.005 217 S CB 0.595 63.389 63.200 -0.677 0.000 0.909 217 S HN 0.221 nan 8.310 nan 0.000 0.555 218 P HA 0.058 nan 4.420 nan 0.000 0.229 218 P C 0.868 178.115 177.300 -0.087 0.000 1.160 218 P CA 0.510 63.541 63.100 -0.114 0.000 0.777 218 P CB 0.090 31.773 31.700 -0.028 0.000 0.814 219 N N -0.502 118.138 118.700 -0.100 0.000 2.354 219 N HA -0.031 4.709 4.740 -0.000 0.000 0.179 219 N C 1.438 176.878 175.510 -0.117 0.000 1.021 219 N CA 1.481 54.481 53.050 -0.083 0.000 0.887 219 N CB -0.434 38.005 38.487 -0.079 0.000 0.974 219 N HN 0.111 nan 8.380 nan 0.000 0.437 220 G N -0.575 108.163 108.800 -0.103 0.000 2.136 220 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.242 220 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.242 220 G C 1.007 175.913 174.900 0.010 0.000 0.989 220 G CA 1.005 46.048 45.100 -0.096 0.000 0.682 220 G HN 0.354 nan 8.290 nan 0.000 0.522 221 T N -0.315 114.185 114.554 -0.090 0.000 2.851 221 T HA 0.256 4.606 4.350 -0.000 0.000 0.262 221 T C 0.650 175.188 174.700 -0.270 0.000 1.043 221 T CA 1.125 63.061 62.100 -0.273 0.000 1.140 221 T CB -0.056 68.510 68.868 -0.504 0.000 0.872 221 T HN 0.285 nan 8.240 nan 0.000 0.446 222 F N 0.821 120.828 119.950 0.095 0.000 2.458 222 F HA 0.504 5.031 4.527 -0.000 0.000 0.336 222 F C -0.118 175.766 175.800 0.140 0.000 1.114 222 F CA -1.287 56.791 58.000 0.131 0.000 0.987 222 F CB 1.065 40.176 39.000 0.185 0.000 1.130 222 F HN -0.075 nan 8.300 nan 0.000 0.458 223 L N 3.913 125.272 121.223 0.226 0.000 2.255 223 L HA 0.685 5.025 4.340 -0.000 0.000 0.289 223 L C -0.276 176.689 176.870 0.158 0.000 1.046 223 L CA -0.369 54.431 54.840 -0.066 0.000 0.816 223 L CB 0.567 42.415 42.059 -0.351 0.000 1.197 223 L HN 0.810 nan 8.230 nan 0.000 0.427 224 A N 5.432 128.425 122.820 0.288 0.000 2.279 224 A HA 0.712 5.032 4.320 -0.000 0.000 0.303 224 A C -1.278 176.461 177.584 0.258 0.000 1.108 224 A CA -0.316 51.828 52.037 0.177 0.000 0.830 224 A CB 1.021 20.224 19.000 0.338 0.000 1.106 224 A HN 0.769 nan 8.150 nan 0.000 0.493 225 Y N -2.219 118.041 120.300 -0.068 0.000 2.521 225 Y HA 0.628 5.178 4.550 0.000 0.000 0.326 225 Y C -0.515 175.392 175.900 0.013 0.000 1.176 225 Y CA -0.648 57.468 58.100 0.028 0.000 1.079 225 Y CB 0.405 38.799 38.460 -0.110 0.000 1.341 225 Y HN 1.016 nan 8.280 nan 0.000 0.456 226 A N 3.532 126.571 122.820 0.364 0.000 2.282 226 A HA 0.718 5.038 4.320 -0.000 0.000 0.319 226 A C -1.018 176.522 177.584 -0.072 0.000 1.121 226 A CA -0.789 51.330 52.037 0.137 0.000 0.836 226 A CB 1.726 20.846 19.000 0.200 0.000 1.146 226 A HN 0.823 nan 8.150 nan 0.000 0.494 227 Q N 0.833 120.443 119.800 -0.317 0.000 2.304 227 Q HA 0.586 4.926 4.340 -0.000 0.000 0.270 227 Q C -2.080 173.649 176.000 -0.452 0.000 1.035 227 Q CA -0.341 55.369 55.803 -0.155 0.000 0.781 227 Q CB 1.173 30.062 28.738 0.252 0.000 1.261 227 Q HN 0.614 nan 8.270 nan 0.000 0.444 228 F N 2.229 122.280 119.950 0.169 0.000 2.480 228 F HA 0.464 4.991 4.527 -0.000 0.000 0.329 228 F C 0.402 176.344 175.800 0.236 0.000 1.091 228 F CA -0.953 57.111 58.000 0.106 0.000 0.972 228 F CB 1.364 40.307 39.000 -0.095 0.000 1.150 228 F HN 0.415 nan 8.300 nan 0.000 0.467 229 N N 1.470 120.377 118.700 0.344 0.000 2.442 229 N HA 0.248 4.988 4.740 -0.000 0.000 0.274 229 N C -1.162 174.508 175.510 0.267 0.000 1.002 229 N CA -0.462 52.760 53.050 0.286 0.000 0.910 229 N CB 1.203 39.805 38.487 0.193 0.000 1.244 229 N HN 0.542 nan 8.380 nan 0.000 0.492 230 D N 1.547 122.125 120.400 0.297 0.000 2.559 230 D HA 0.181 4.821 4.640 -0.000 0.000 0.234 230 D C 0.977 177.387 176.300 0.184 0.000 1.226 230 D CA 0.098 54.250 54.000 0.253 0.000 0.830 230 D CB 0.552 41.559 40.800 0.344 0.000 1.028 230 D HN 0.485 nan 8.370 nan 0.000 0.492 231 T N 0.271 114.915 114.554 0.151 0.000 2.759 231 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 231 T C 1.053 175.805 174.700 0.085 0.000 1.042 231 T CA 1.259 63.423 62.100 0.107 0.000 1.140 231 T CB 0.016 68.936 68.868 0.087 0.000 0.864 231 T HN 0.329 nan 8.240 nan 0.000 0.455 232 E N 0.338 120.588 120.200 0.083 0.000 2.624 232 E HA 0.225 4.575 4.350 -0.000 0.000 0.210 232 E C -0.676 175.963 176.600 0.064 0.000 0.997 232 E CA -0.218 56.219 56.400 0.062 0.000 0.999 232 E CB 0.788 30.516 29.700 0.048 0.000 1.040 232 E HN 0.170 nan 8.360 nan 0.000 0.469 233 V N 3.409 123.373 119.914 0.084 0.000 2.470 233 V HA 0.115 4.235 4.120 -0.000 0.000 0.276 233 V C -1.946 174.191 176.094 0.072 0.000 1.040 233 V CA -1.510 60.840 62.300 0.084 0.000 1.008 233 V CB 0.132 32.020 31.823 0.108 0.000 0.990 233 V HN 0.051 nan 8.190 nan 0.000 0.477 234 P HA 0.182 nan 4.420 nan 0.000 0.269 234 P C -0.701 176.622 177.300 0.037 0.000 1.217 234 P CA -0.157 62.967 63.100 0.040 0.000 0.783 234 P CB 0.445 32.165 31.700 0.033 0.000 0.898 235 L N 2.346 123.571 121.223 0.003 0.000 2.272 235 L HA 0.438 4.777 4.340 -0.000 0.000 0.289 235 L C 0.597 177.409 176.870 -0.097 0.000 1.032 235 L CA -0.693 54.131 54.840 -0.026 0.000 0.810 235 L CB 0.867 42.909 42.059 -0.028 0.000 1.205 235 L HN 0.360 nan 8.230 nan 0.000 0.422 236 I N 3.086 123.553 120.570 -0.172 0.000 2.638 236 I HA 0.174 4.344 4.170 -0.000 0.000 0.286 236 I C -0.248 175.726 176.117 -0.238 0.000 1.088 236 I CA 0.069 61.177 61.300 -0.319 0.000 1.397 236 I CB 0.906 38.477 38.000 -0.714 0.000 1.414 236 I HN 0.745 nan 8.210 nan 0.000 0.566 237 E N 7.118 127.198 120.200 -0.200 0.000 2.246 237 E HA 0.386 4.736 4.350 -0.000 0.000 0.266 237 E C -1.891 174.649 176.600 -0.099 0.000 0.880 237 E CA -0.540 55.743 56.400 -0.195 0.000 0.762 237 E CB 2.284 31.897 29.700 -0.145 0.000 1.180 237 E HN 0.522 nan 8.360 nan 0.000 0.416 238 Y N -1.506 118.717 120.300 -0.128 0.000 2.571 238 Y HA 0.537 5.087 4.550 -0.000 0.000 0.341 238 Y C -0.437 175.392 175.900 -0.117 0.000 1.076 238 Y CA -1.266 56.764 58.100 -0.117 0.000 1.029 238 Y CB 0.855 39.258 38.460 -0.096 0.000 1.308 238 Y HN 0.160 nan 8.280 nan 0.000 0.461 239 S N 2.257 117.942 115.700 -0.026 0.000 2.572 239 S HA 0.372 4.842 4.470 -0.000 0.000 0.279 239 S C -1.248 173.170 174.600 -0.302 0.000 1.341 239 S CA -0.190 57.841 58.200 -0.283 0.000 1.043 239 S CB 0.205 63.092 63.200 -0.521 0.000 0.887 239 S HN 0.555 nan 8.310 nan 0.000 0.516 240 F N 2.119 121.753 119.950 -0.527 0.000 2.536 240 F HA 0.432 4.959 4.527 -0.000 0.000 0.322 240 F C -0.503 175.062 175.800 -0.392 0.000 1.144 240 F CA -0.855 56.938 58.000 -0.345 0.000 0.924 240 F CB 0.906 39.863 39.000 -0.071 0.000 1.181 240 F HN 0.613 nan 8.300 nan 0.000 0.438 241 Y N 2.219 122.289 120.300 -0.383 0.000 2.503 241 Y HA 0.134 4.684 4.550 -0.000 0.000 0.278 241 Y C 1.467 177.298 175.900 -0.114 0.000 1.111 241 Y CA 0.451 58.434 58.100 -0.195 0.000 1.270 241 Y CB -0.694 37.641 38.460 -0.209 0.000 1.063 241 Y HN 0.643 nan 8.280 nan 0.000 0.548 242 S N -0.361 115.289 115.700 -0.083 0.000 3.085 242 S HA -0.248 4.222 4.470 -0.000 0.000 0.635 242 S C -0.538 174.103 174.600 0.069 0.000 2.922 242 S CA 0.124 58.393 58.200 0.115 0.000 3.129 242 S CB -0.988 62.364 63.200 0.252 0.000 0.332 242 S HN 0.410 nan 8.310 nan 0.000 1.789 243 D N 2.050 122.507 120.400 0.093 0.000 2.443 243 D HA 0.100 4.740 4.640 -0.000 0.000 0.234 243 D C 1.508 177.839 176.300 0.053 0.000 1.172 243 D CA 0.174 54.213 54.000 0.065 0.000 0.878 243 D CB 0.119 40.960 40.800 0.070 0.000 1.204 243 D HN 0.617 nan 8.370 nan 0.000 0.453 244 E N 0.237 120.456 120.200 0.032 0.000 2.284 244 E HA -0.206 4.144 4.350 -0.000 0.000 0.200 244 E C 1.635 178.249 176.600 0.024 0.000 1.008 244 E CA 1.294 57.705 56.400 0.019 0.000 0.829 244 E CB -0.009 29.696 29.700 0.009 0.000 0.744 244 E HN 0.452 nan 8.360 nan 0.000 0.491 245 S N 0.244 115.964 115.700 0.034 0.000 2.522 245 S HA -0.003 4.467 4.470 -0.000 0.000 0.227 245 S C 0.967 175.594 174.600 0.045 0.000 0.986 245 S CA -0.114 58.106 58.200 0.034 0.000 0.929 245 S CB 0.021 63.242 63.200 0.035 0.000 0.769 245 S HN 0.149 nan 8.310 nan 0.000 0.529 246 L N 2.443 123.702 121.223 0.060 0.000 2.385 246 L HA 0.179 4.519 4.340 -0.000 0.000 0.281 246 L C 1.522 178.434 176.870 0.071 0.000 1.106 246 L CA -0.032 54.857 54.840 0.082 0.000 0.856 246 L CB 0.923 43.045 42.059 0.106 0.000 1.186 246 L HN 0.409 nan 8.230 nan 0.000 0.453 247 Q N 3.916 123.765 119.800 0.082 0.000 2.079 247 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 247 Q C -0.593 175.353 176.000 -0.089 0.000 0.974 247 Q CA 1.472 57.278 55.803 0.004 0.000 0.840 247 Q CB 0.218 28.978 28.738 0.037 0.000 0.898 247 Q HN 0.582 nan 8.270 nan 0.000 0.430 248 Y N 0.061 120.379 120.300 0.029 0.000 2.393 248 Y HA 0.375 4.925 4.550 -0.000 0.000 0.341 248 Y C -2.041 173.877 175.900 0.030 0.000 0.988 248 Y CA -2.929 55.186 58.100 0.026 0.000 1.078 248 Y CB 1.258 39.725 38.460 0.011 0.000 1.203 248 Y HN 0.094 nan 8.280 nan 0.000 0.453 249 P HA 0.040 nan 4.420 nan 0.000 0.267 249 P C -0.719 176.608 177.300 0.046 0.000 1.200 249 P CA -0.365 62.779 63.100 0.074 0.000 0.772 249 P CB 0.679 32.390 31.700 0.017 0.000 0.855 250 K N 1.338 121.746 120.400 0.013 0.000 2.123 250 K HA 0.400 4.720 4.320 -0.000 0.000 0.259 250 K C -0.717 175.845 176.600 -0.064 0.000 0.960 250 K CA -0.380 55.904 56.287 -0.004 0.000 0.872 250 K CB 0.818 33.334 32.500 0.027 0.000 1.079 250 K HN 0.336 nan 8.250 nan 0.000 0.440 251 T N 2.413 116.912 114.554 -0.092 0.000 2.767 251 T HA 0.265 4.615 4.350 -0.000 0.000 0.284 251 T C -0.543 174.032 174.700 -0.207 0.000 0.973 251 T CA -0.622 61.388 62.100 -0.150 0.000 0.996 251 T CB 1.285 70.079 68.868 -0.124 0.000 0.927 251 T HN 0.261 nan 8.240 nan 0.000 0.456 252 V N 4.866 124.559 119.914 -0.368 0.000 2.509 252 V HA 0.503 4.623 4.120 -0.000 0.000 0.284 252 V C 0.314 176.135 176.094 -0.456 0.000 1.047 252 V CA -0.638 61.388 62.300 -0.457 0.000 0.952 252 V CB 1.197 32.536 31.823 -0.807 0.000 0.988 252 V HN 0.721 nan 8.190 nan 0.000 0.469 253 R N 3.110 123.468 120.500 -0.237 0.000 2.483 253 R HA 0.728 5.068 4.340 -0.000 0.000 0.303 253 R C -1.803 174.475 176.300 -0.035 0.000 0.987 253 R CA -0.507 55.501 56.100 -0.154 0.000 0.881 253 R CB 2.270 32.512 30.300 -0.097 0.000 1.177 253 R HN 0.511 nan 8.270 nan 0.000 0.451 254 V N 4.371 124.268 119.914 -0.028 0.000 2.569 254 V HA 0.322 4.442 4.120 -0.000 0.000 0.301 254 V C -2.380 173.744 176.094 0.050 0.000 1.044 254 V CA -2.329 60.017 62.300 0.077 0.000 0.874 254 V CB 2.300 34.155 31.823 0.053 0.000 1.002 254 V HN 0.612 nan 8.190 nan 0.000 0.424 255 P HA 0.102 nan 4.420 nan 0.000 0.261 255 P C -1.332 176.024 177.300 0.092 0.000 1.203 255 P CA 0.441 63.615 63.100 0.125 0.000 0.767 255 P CB -0.206 31.614 31.700 0.200 0.000 0.785 256 Y N 6.395 126.630 120.300 -0.108 0.000 2.307 256 Y HA 0.370 4.920 4.550 0.000 0.000 0.323 256 Y C -2.725 173.102 175.900 -0.122 0.000 1.100 256 Y CA -3.010 54.956 58.100 -0.223 0.000 1.140 256 Y CB 1.724 39.940 38.460 -0.406 0.000 1.159 256 Y HN 0.270 nan 8.280 nan 0.000 0.436 257 P HA 0.229 nan 4.420 nan 0.000 0.279 257 P C -0.853 176.535 177.300 0.147 0.000 1.318 257 P CA -0.061 63.078 63.100 0.065 0.000 0.819 257 P CB 0.736 32.438 31.700 0.003 0.000 0.927 258 K N 2.011 122.562 120.400 0.251 0.000 2.138 258 K HA 0.470 4.790 4.320 -0.000 0.000 0.251 258 K C 0.605 177.307 176.600 0.169 0.000 1.015 258 K CA -0.668 55.769 56.287 0.251 0.000 0.917 258 K CB 0.548 33.182 32.500 0.223 0.000 1.021 258 K HN 0.410 nan 8.250 nan 0.000 0.485 259 A N 1.005 123.946 122.820 0.203 0.000 2.566 259 A HA 0.284 4.604 4.320 -0.000 0.000 0.245 259 A C 1.212 178.847 177.584 0.084 0.000 1.056 259 A CA 0.973 53.120 52.037 0.182 0.000 0.757 259 A CB -1.098 18.095 19.000 0.320 0.000 0.979 259 A HN 0.920 nan 8.150 nan 0.000 0.508 260 G N 0.768 109.604 108.800 0.059 0.000 2.176 260 G HA2 0.128 4.088 3.960 -0.000 0.000 0.253 260 G HA3 0.128 4.088 3.960 -0.000 0.000 0.253 260 G C 0.637 175.549 174.900 0.019 0.000 0.979 260 G CA 0.732 45.838 45.100 0.010 0.000 0.641 260 G HN 2.117 nan 8.290 nan 0.000 0.530 261 A N -0.544 122.302 122.820 0.044 0.000 2.257 261 A HA 0.814 5.134 4.320 -0.000 0.000 0.290 261 A C 0.761 178.367 177.584 0.037 0.000 1.201 261 A CA 0.256 52.318 52.037 0.042 0.000 0.863 261 A CB 0.658 19.695 19.000 0.062 0.000 1.256 261 A HN 1.112 nan 8.150 nan 0.000 0.506 262 V N 1.520 121.456 119.914 0.036 0.000 2.555 262 V HA 0.055 4.175 4.120 -0.000 0.000 0.286 262 V C 0.514 176.638 176.094 0.051 0.000 1.044 262 V CA 0.054 62.373 62.300 0.033 0.000 1.026 262 V CB 0.223 32.066 31.823 0.034 0.000 0.981 262 V HN 0.844 nan 8.190 nan 0.000 0.480 263 N N 5.826 124.554 118.700 0.046 0.000 2.515 263 N HA 0.367 5.107 4.740 -0.000 0.000 0.279 263 N C -2.406 173.172 175.510 0.113 0.000 1.164 263 N CA -1.199 51.898 53.050 0.079 0.000 0.982 263 N CB 1.066 39.592 38.487 0.064 0.000 1.170 263 N HN 0.490 nan 8.380 nan 0.000 0.474 264 P HA -0.001 nan 4.420 nan 0.000 0.271 264 P C -0.589 176.850 177.300 0.231 0.000 1.233 264 P CA -0.042 63.194 63.100 0.227 0.000 0.789 264 P CB 0.566 32.451 31.700 0.308 0.000 0.951 265 T N -2.288 112.392 114.554 0.210 0.000 2.949 265 T HA 0.616 4.966 4.350 -0.000 0.000 0.287 265 T C -0.469 174.354 174.700 0.205 0.000 1.034 265 T CA -0.871 61.333 62.100 0.173 0.000 1.018 265 T CB 1.542 70.465 68.868 0.092 0.000 1.135 265 T HN 0.361 nan 8.240 nan 0.000 0.532 266 V N 0.488 120.506 119.914 0.174 0.000 2.888 266 V HA 0.764 4.884 4.120 -0.000 0.000 0.309 266 V C -1.683 174.472 176.094 0.102 0.000 1.114 266 V CA -0.786 61.540 62.300 0.045 0.000 0.940 266 V CB 2.003 33.851 31.823 0.042 0.000 1.021 266 V HN 1.014 nan 8.190 nan 0.000 0.426 267 K N 4.115 124.515 120.400 -0.000 0.000 2.395 267 K HA 0.645 4.965 4.320 -0.000 0.000 0.245 267 K C -1.736 174.762 176.600 -0.169 0.000 1.017 267 K CA -0.430 55.821 56.287 -0.059 0.000 0.852 267 K CB 2.508 34.996 32.500 -0.020 0.000 1.311 267 K HN 0.674 nan 8.250 nan 0.000 0.452 268 F N 1.200 120.760 119.950 -0.651 0.000 2.574 268 F HA 0.526 5.053 4.527 -0.000 0.000 0.313 268 F C -1.745 173.446 175.800 -1.014 0.000 1.130 268 F CA -0.796 56.839 58.000 -0.608 0.000 0.936 268 F CB 0.944 39.771 39.000 -0.290 0.000 1.219 268 F HN 0.384 nan 8.300 nan 0.000 0.445 269 F N 4.190 123.282 119.950 -1.429 0.000 2.603 269 F HA 0.831 5.358 4.527 -0.000 0.000 0.317 269 F C -0.930 174.205 175.800 -1.109 0.000 1.066 269 F CA -1.235 56.090 58.000 -1.125 0.000 0.941 269 F CB 2.273 40.530 39.000 -1.239 0.000 1.291 269 F HN 0.192 nan 8.300 nan 0.000 0.472 270 V N 2.448 122.136 119.914 -0.377 0.000 2.612 270 V HA 0.560 4.680 4.120 -0.000 0.000 0.301 270 V C -1.025 175.138 176.094 0.115 0.000 1.059 270 V CA -0.718 61.449 62.300 -0.221 0.000 0.886 270 V CB 1.799 33.314 31.823 -0.512 0.000 1.007 270 V HN 0.558 nan 8.190 nan 0.000 0.426 271 V N 3.147 123.198 119.914 0.228 0.000 2.815 271 V HA 0.554 4.674 4.120 -0.000 0.000 0.314 271 V C -0.187 176.124 176.094 0.361 0.000 1.064 271 V CA -0.834 61.624 62.300 0.264 0.000 0.952 271 V CB 2.373 34.302 31.823 0.176 0.000 1.020 271 V HN 0.852 nan 8.190 nan 0.000 0.439 272 N N 1.471 120.333 118.700 0.270 0.000 2.462 272 N HA 0.162 4.902 4.740 -0.000 0.000 0.242 272 N C 0.714 176.216 175.510 -0.014 0.000 1.010 272 N CA 0.043 53.161 53.050 0.113 0.000 0.939 272 N CB 1.691 40.221 38.487 0.072 0.000 1.127 272 N HN 0.687 nan 8.380 nan 0.000 0.509 273 T N 1.806 116.336 114.554 -0.040 0.000 3.051 273 T HA -0.031 4.319 4.350 -0.000 0.000 0.269 273 T C 0.420 175.077 174.700 -0.071 0.000 1.127 273 T CA 0.859 62.957 62.100 -0.003 0.000 1.107 273 T CB 0.127 69.102 68.868 0.177 0.000 0.898 273 T HN 0.470 nan 8.240 nan 0.000 0.517 274 D N 0.784 121.113 120.400 -0.118 0.000 2.333 274 D HA 0.060 4.700 4.640 -0.000 0.000 0.208 274 D C 1.025 177.270 176.300 -0.092 0.000 0.984 274 D CA 0.376 54.311 54.000 -0.109 0.000 0.873 274 D CB 0.209 40.931 40.800 -0.130 0.000 0.935 274 D HN 0.425 nan 8.370 nan 0.000 0.521 275 S N 0.573 116.221 115.700 -0.087 0.000 2.080 275 S HA 0.477 4.947 4.470 -0.000 0.000 0.162 275 S C -0.270 174.272 174.600 -0.097 0.000 1.618 275 S CA -0.754 57.407 58.200 -0.065 0.000 1.200 275 S CB -0.361 62.829 63.200 -0.017 0.000 1.135 275 S HN -0.043 nan 8.310 nan 0.000 0.455 276 L N 1.812 122.912 121.223 -0.205 0.000 2.334 276 L HA 0.718 5.058 4.340 -0.000 0.000 0.276 276 L C 0.259 177.035 176.870 -0.156 0.000 1.014 276 L CA -0.611 54.045 54.840 -0.306 0.000 0.815 276 L CB 2.040 43.622 42.059 -0.796 0.000 1.268 276 L HN 0.515 nan 8.230 nan 0.000 0.428 277 S N 0.559 116.279 115.700 0.032 0.000 2.537 277 S HA 0.325 4.795 4.470 -0.000 0.000 0.301 277 S C 0.969 175.745 174.600 0.293 0.000 1.092 277 S CA -0.505 57.784 58.200 0.149 0.000 1.048 277 S CB 1.825 65.083 63.200 0.096 0.000 1.053 277 S HN 0.641 nan 8.310 nan 0.000 0.501 278 S N 2.211 118.065 115.700 0.256 0.000 2.380 278 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 278 S C 1.561 176.252 174.600 0.151 0.000 1.050 278 S CA 2.192 60.505 58.200 0.189 0.000 1.100 278 S CB -0.400 62.867 63.200 0.112 0.000 0.984 278 S HN 0.724 nan 8.310 nan 0.000 0.434 279 V N -0.394 119.596 119.914 0.125 0.000 3.621 279 V HA 0.152 4.272 4.120 -0.000 0.000 0.263 279 V C 0.622 176.782 176.094 0.111 0.000 1.272 279 V CA 0.301 62.666 62.300 0.108 0.000 1.080 279 V CB -0.306 31.559 31.823 0.070 0.000 0.816 279 V HN 0.263 nan 8.190 nan 0.000 0.451 280 T N 2.723 117.343 114.554 0.110 0.000 2.814 280 T HA 0.190 4.540 4.350 -0.000 0.000 0.297 280 T C 0.231 175.003 174.700 0.121 0.000 0.956 280 T CA -0.050 62.103 62.100 0.090 0.000 1.123 280 T CB 0.081 68.989 68.868 0.067 0.000 0.902 280 T HN 0.225 nan 8.240 nan 0.000 0.528 281 N N 2.578 121.337 118.700 0.099 0.000 2.447 281 N HA 0.267 5.007 4.740 -0.000 0.000 0.263 281 N C 0.228 175.809 175.510 0.118 0.000 1.226 281 N CA -0.084 53.052 53.050 0.143 0.000 0.906 281 N CB 0.432 38.945 38.487 0.043 0.000 1.060 281 N HN 0.801 nan 8.380 nan 0.000 0.468 282 A N 2.225 125.128 122.820 0.137 0.000 2.425 282 A HA 0.302 4.622 4.320 -0.000 0.000 0.242 282 A C 0.166 177.796 177.584 0.077 0.000 1.077 282 A CA -0.062 52.024 52.037 0.081 0.000 0.781 282 A CB 0.120 19.147 19.000 0.046 0.000 1.020 282 A HN 0.569 nan 8.150 nan 0.000 0.494 283 T N 2.251 116.851 114.554 0.076 0.000 2.749 283 T HA 0.483 4.833 4.350 -0.000 0.000 0.287 283 T C -0.121 174.649 174.700 0.117 0.000 0.970 283 T CA -0.187 61.967 62.100 0.090 0.000 0.980 283 T CB 0.784 69.711 68.868 0.098 0.000 0.924 283 T HN 0.499 nan 8.240 nan 0.000 0.456 284 S N 3.069 118.834 115.700 0.108 0.000 2.449 284 S HA 0.535 5.005 4.470 -0.000 0.000 0.310 284 S C -0.089 174.641 174.600 0.217 0.000 1.096 284 S CA -0.698 57.589 58.200 0.145 0.000 1.095 284 S CB 0.595 63.824 63.200 0.049 0.000 1.007 284 S HN 0.533 nan 8.310 nan 0.000 0.474 285 I N 2.884 123.601 120.570 0.245 0.000 2.353 285 I HA 0.286 4.456 4.170 -0.000 0.000 0.293 285 I C 0.397 176.628 176.117 0.190 0.000 0.992 285 I CA -0.219 61.234 61.300 0.255 0.000 1.268 285 I CB 1.300 39.496 38.000 0.325 0.000 1.387 285 I HN 0.584 nan 8.210 nan 0.000 0.478 286 Q N 6.180 126.071 119.800 0.152 0.000 2.259 286 Q HA 0.569 4.909 4.340 -0.000 0.000 0.246 286 Q C -1.209 174.730 176.000 -0.103 0.000 0.920 286 Q CA -0.391 55.339 55.803 -0.122 0.000 0.895 286 Q CB 1.174 29.845 28.738 -0.112 0.000 1.220 286 Q HN 0.566 nan 8.270 nan 0.000 0.439 287 I N 3.063 123.528 120.570 -0.175 0.000 2.406 287 I HA 0.280 4.449 4.170 -0.000 0.000 0.290 287 I C -0.537 175.550 176.117 -0.050 0.000 0.999 287 I CA -0.787 60.497 61.300 -0.026 0.000 1.124 287 I CB 2.136 40.188 38.000 0.085 0.000 1.289 287 I HN 0.654 nan 8.210 nan 0.000 0.441 288 T N 4.944 119.447 114.554 -0.085 0.000 2.882 288 T HA 0.501 4.851 4.350 -0.000 0.000 0.287 288 T C 0.409 174.905 174.700 -0.340 0.000 0.992 288 T CA -0.499 61.495 62.100 -0.177 0.000 1.076 288 T CB 1.572 70.348 68.868 -0.155 0.000 0.961 288 T HN 0.682 nan 8.240 nan 0.000 0.490 289 A N 4.218 126.632 122.820 -0.677 0.000 2.448 289 A HA 0.485 4.805 4.320 -0.000 0.000 0.239 289 A C -2.315 174.799 177.584 -0.783 0.000 1.080 289 A CA -1.125 50.075 52.037 -1.395 0.000 0.779 289 A CB -0.573 17.156 19.000 -2.118 0.000 1.026 289 A HN 0.530 nan 8.150 nan 0.000 0.499 290 P HA 0.331 nan 4.420 nan 0.000 0.279 290 P C 0.789 177.905 177.300 -0.306 0.000 1.239 290 P CA 0.404 63.276 63.100 -0.379 0.000 0.789 290 P CB 1.121 32.653 31.700 -0.281 0.000 0.933 291 A N 3.335 126.037 122.820 -0.197 0.000 1.944 291 A HA -0.311 4.009 4.320 -0.000 0.000 0.222 291 A C 2.103 179.614 177.584 -0.122 0.000 1.237 291 A CA 2.975 54.927 52.037 -0.142 0.000 0.668 291 A CB -2.039 16.904 19.000 -0.094 0.000 0.830 291 A HN 0.644 nan 8.150 nan 0.000 0.471 292 S N -1.826 113.819 115.700 -0.092 0.000 2.584 292 S HA -0.003 4.467 4.470 -0.000 0.000 0.240 292 S C 1.543 176.109 174.600 -0.058 0.000 0.975 292 S CA 1.446 59.616 58.200 -0.049 0.000 0.949 292 S CB -0.268 62.965 63.200 0.055 0.000 0.761 292 S HN 0.486 nan 8.310 nan 0.000 0.536 293 M N 0.090 119.595 119.600 -0.159 0.000 2.653 293 M HA 0.356 4.836 4.480 -0.000 0.000 0.259 293 M C 1.698 177.948 176.300 -0.082 0.000 1.244 293 M CA 0.487 55.678 55.300 -0.183 0.000 1.163 293 M CB -0.719 31.566 32.600 -0.525 0.000 1.309 293 M HN 0.322 nan 8.290 nan 0.000 0.509 294 L N 0.842 121.957 121.223 -0.180 0.000 2.456 294 L HA -0.090 4.250 4.340 -0.000 0.000 0.224 294 L C 2.368 179.246 176.870 0.013 0.000 1.148 294 L CA 0.403 55.228 54.840 -0.025 0.000 0.825 294 L CB -0.647 41.350 42.059 -0.103 0.000 0.937 294 L HN 0.300 nan 8.230 nan 0.000 0.450 295 I N -0.646 119.914 120.570 -0.017 0.000 2.423 295 I HA -0.101 4.069 4.170 -0.000 0.000 0.254 295 I C 1.034 177.145 176.117 -0.010 0.000 1.151 295 I CA 1.374 62.659 61.300 -0.025 0.000 1.421 295 I CB -0.016 37.953 38.000 -0.052 0.000 1.079 295 I HN 0.222 nan 8.210 nan 0.000 0.431 296 G N -0.219 108.595 108.800 0.024 0.000 2.753 296 G HA2 0.218 4.178 3.960 -0.000 0.000 0.303 296 G HA3 0.218 4.178 3.960 -0.000 0.000 0.303 296 G C -1.743 173.119 174.900 -0.063 0.000 1.242 296 G CA -0.500 44.590 45.100 -0.016 0.000 0.810 296 G HN 0.112 nan 8.290 nan 0.000 0.515 297 D N 0.981 121.291 120.400 -0.150 0.000 2.382 297 D HA 0.521 5.161 4.640 -0.000 0.000 0.245 297 D C 0.061 176.166 176.300 -0.324 0.000 1.120 297 D CA 0.763 54.565 54.000 -0.331 0.000 0.890 297 D CB 0.963 41.607 40.800 -0.261 0.000 1.201 297 D HN 0.581 nan 8.370 nan 0.000 0.433 298 H N -1.520 117.417 119.070 -0.222 0.000 2.981 298 H HA 0.538 5.094 4.556 0.000 0.000 0.327 298 H C -1.576 173.619 175.328 -0.221 0.000 1.342 298 H CA -0.993 54.933 56.048 -0.203 0.000 1.123 298 H CB 0.353 30.150 29.762 0.059 0.000 1.851 298 H HN 0.192 nan 8.280 nan 0.000 0.531 299 Y N 0.122 120.692 120.300 0.450 0.000 2.429 299 Y HA 0.340 4.890 4.550 -0.000 0.000 0.342 299 Y C -0.155 175.998 175.900 0.421 0.000 1.004 299 Y CA -1.191 57.151 58.100 0.403 0.000 1.075 299 Y CB 1.881 40.420 38.460 0.132 0.000 1.214 299 Y HN 0.551 nan 8.280 nan 0.000 0.455 300 L N 3.134 124.660 121.223 0.504 0.000 2.331 300 L HA 0.173 4.513 4.340 -0.000 0.000 0.278 300 L C -0.237 176.751 176.870 0.196 0.000 1.106 300 L CA 0.033 54.810 54.840 -0.104 0.000 0.824 300 L CB 0.629 42.491 42.059 -0.329 0.000 1.142 300 L HN 0.989 nan 8.230 nan 0.000 0.443 301 C N 1.908 121.225 119.300 0.028 0.000 3.364 301 C HA 0.365 4.825 4.460 -0.000 0.000 0.340 301 C C 0.225 175.299 174.990 0.139 0.000 1.336 301 C CA -0.389 58.739 59.018 0.183 0.000 1.778 301 C CB -0.382 27.412 27.740 0.089 0.000 2.398 301 C HN 0.810 nan 8.230 nan 0.000 0.667 302 D N -0.278 120.026 120.400 -0.160 0.000 2.977 302 D HA 0.534 5.174 4.640 -0.000 0.000 0.220 302 D C -1.415 174.506 176.300 -0.632 0.000 1.267 302 D CA 0.031 53.838 54.000 -0.321 0.000 0.884 302 D CB 1.891 42.550 40.800 -0.234 0.000 1.667 302 D HN -0.087 nan 8.370 nan 0.000 0.536 303 V N 2.559 121.971 119.914 -0.838 0.000 2.483 303 V HA 0.711 4.831 4.120 -0.000 0.000 0.297 303 V C -0.472 175.139 176.094 -0.805 0.000 1.027 303 V CA -0.518 61.106 62.300 -1.126 0.000 0.855 303 V CB 1.903 32.476 31.823 -2.083 0.000 0.995 303 V HN 0.693 nan 8.190 nan 0.000 0.424 304 T N 3.338 117.522 114.554 -0.617 0.000 3.143 304 T HA 0.307 4.657 4.350 -0.000 0.000 0.312 304 T C -0.909 173.563 174.700 -0.379 0.000 0.986 304 T CA -0.461 61.432 62.100 -0.344 0.000 1.024 304 T CB 0.727 69.489 68.868 -0.176 0.000 1.030 304 T HN 0.542 nan 8.240 nan 0.000 0.448 305 W N 2.523 123.694 121.300 -0.215 0.000 2.381 305 W HA 0.434 5.093 4.660 -0.000 0.000 0.321 305 W C 1.215 177.547 176.519 -0.312 0.000 1.407 305 W CA -0.268 56.959 57.345 -0.196 0.000 1.274 305 W CB 0.467 29.906 29.460 -0.036 0.000 1.310 305 W HN 0.888 nan 8.180 nan 0.000 0.551 306 A N 2.622 125.246 122.820 -0.327 0.000 1.887 306 A HA 0.134 4.454 4.320 -0.000 0.000 0.212 306 A C 1.069 178.579 177.584 -0.124 0.000 1.198 306 A CA 1.673 53.307 52.037 -0.672 0.000 0.628 306 A CB -0.346 17.963 19.000 -1.152 0.000 0.847 306 A HN 0.533 nan 8.150 nan 0.000 0.449 307 T N -5.677 108.925 114.554 0.080 0.000 2.618 307 T HA 0.317 4.667 4.350 -0.000 0.000 0.286 307 T C 0.145 175.017 174.700 0.286 0.000 1.027 307 T CA -0.315 61.883 62.100 0.163 0.000 1.063 307 T CB 0.539 69.491 68.868 0.140 0.000 1.440 307 T HN -0.009 nan 8.240 nan 0.000 0.505 308 Q N 0.505 120.444 119.800 0.231 0.000 2.364 308 Q HA 0.035 4.375 4.340 -0.000 0.000 0.207 308 Q C 0.326 176.594 176.000 0.447 0.000 0.970 308 Q CA 1.230 57.183 55.803 0.251 0.000 0.888 308 Q CB -0.098 28.748 28.738 0.180 0.000 0.951 308 Q HN 0.841 nan 8.270 nan 0.000 0.469 309 E N 0.024 120.494 120.200 0.449 0.000 3.521 309 E HA 0.252 4.602 4.350 -0.000 0.000 0.183 309 E C -0.428 176.442 176.600 0.450 0.000 0.981 309 E CA -0.171 56.525 56.400 0.495 0.000 1.349 309 E CB 0.867 30.759 29.700 0.319 0.000 1.102 309 E HN -0.041 nan 8.360 nan 0.000 0.449 310 R N 1.865 122.631 120.500 0.443 0.000 2.518 310 R HA 0.400 4.740 4.340 -0.000 0.000 0.287 310 R C -1.423 174.836 176.300 -0.068 0.000 1.135 310 R CA -0.357 55.866 56.100 0.204 0.000 0.967 310 R CB 0.932 31.273 30.300 0.068 0.000 1.212 310 R HN 0.058 nan 8.270 nan 0.000 0.422 311 I N 1.332 121.711 120.570 -0.317 0.000 2.750 311 I HA 0.484 4.654 4.170 -0.000 0.000 0.308 311 I C -0.128 175.681 176.117 -0.515 0.000 1.016 311 I CA -1.181 59.683 61.300 -0.726 0.000 1.098 311 I CB 2.049 39.390 38.000 -1.098 0.000 1.279 311 I HN 0.482 nan 8.210 nan 0.000 0.454 312 S N 4.451 119.808 115.700 -0.571 0.000 2.532 312 S HA 0.756 5.226 4.470 -0.000 0.000 0.299 312 S C -1.064 173.214 174.600 -0.537 0.000 1.105 312 S CA -0.591 57.360 58.200 -0.416 0.000 1.018 312 S CB 0.859 63.901 63.200 -0.263 0.000 1.021 312 S HN 0.482 nan 8.310 nan 0.000 0.483 313 L N 3.957 124.894 121.223 -0.478 0.000 2.409 313 L HA 0.543 4.883 4.340 -0.000 0.000 0.272 313 L C -0.380 176.211 176.870 -0.465 0.000 0.980 313 L CA -0.633 53.820 54.840 -0.644 0.000 0.826 313 L CB 2.161 43.786 42.059 -0.722 0.000 1.268 313 L HN 0.588 nan 8.230 nan 0.000 0.407 314 Q N 1.515 121.004 119.800 -0.519 0.000 2.282 314 Q HA 0.512 4.852 4.340 -0.000 0.000 0.260 314 Q C -1.727 174.030 176.000 -0.405 0.000 0.964 314 Q CA -0.443 55.176 55.803 -0.308 0.000 0.880 314 Q CB 2.319 30.924 28.738 -0.223 0.000 1.286 314 Q HN 0.421 nan 8.270 nan 0.000 0.445 315 W N 2.517 123.771 121.300 -0.077 0.000 2.962 315 W HA 0.662 5.322 4.660 -0.000 0.000 0.341 315 W C -1.264 175.287 176.519 0.053 0.000 1.155 315 W CA -0.644 56.694 57.345 -0.013 0.000 1.165 315 W CB 1.329 30.734 29.460 -0.091 0.000 1.435 315 W HN 0.413 nan 8.180 nan 0.000 0.546 316 L N 1.880 123.349 121.223 0.410 0.000 2.482 316 L HA 0.572 4.912 4.340 -0.000 0.000 0.263 316 L C -0.537 176.549 176.870 0.359 0.000 0.957 316 L CA -1.026 54.016 54.840 0.336 0.000 0.836 316 L CB 1.527 43.774 42.059 0.315 0.000 1.324 316 L HN 0.432 nan 8.230 nan 0.000 0.406 317 R N 2.695 123.372 120.500 0.295 0.000 2.582 317 R HA 0.308 4.648 4.340 -0.000 0.000 0.271 317 R C 0.934 177.325 176.300 0.151 0.000 1.078 317 R CA -0.363 55.861 56.100 0.207 0.000 1.127 317 R CB 0.643 31.042 30.300 0.165 0.000 1.038 317 R HN 0.678 nan 8.270 nan 0.000 0.500 318 R N 1.228 121.716 120.500 -0.020 0.000 2.133 318 R HA -0.132 4.208 4.340 -0.000 0.000 0.247 318 R C 0.279 176.647 176.300 0.113 0.000 1.151 318 R CA 1.413 57.498 56.100 -0.025 0.000 0.971 318 R CB -0.104 30.122 30.300 -0.123 0.000 0.866 318 R HN 0.447 nan 8.270 nan 0.000 0.447 319 I N 2.002 122.618 120.570 0.077 0.000 2.322 319 I HA -0.004 4.166 4.170 -0.000 0.000 0.292 319 I C 0.105 176.292 176.117 0.117 0.000 1.060 319 I CA 0.310 61.656 61.300 0.077 0.000 1.309 319 I CB 1.579 39.606 38.000 0.047 0.000 1.415 319 I HN 0.145 nan 8.210 nan 0.000 0.492 320 Q N 5.697 125.565 119.800 0.115 0.000 3.247 320 Q HA 0.165 4.505 4.340 -0.000 0.000 0.326 320 Q C 0.276 176.368 176.000 0.154 0.000 1.402 320 Q CA -0.059 55.832 55.803 0.147 0.000 0.994 320 Q CB -0.041 28.756 28.738 0.097 0.000 1.647 320 Q HN 0.524 nan 8.270 nan 0.000 0.523 321 N N 0.058 118.854 118.700 0.160 0.000 2.210 321 N HA 0.042 4.782 4.740 -0.000 0.000 0.203 321 N C -1.359 174.276 175.510 0.209 0.000 1.175 321 N CA 0.220 53.356 53.050 0.145 0.000 0.894 321 N CB 0.877 39.438 38.487 0.124 0.000 1.041 321 N HN 0.379 nan 8.380 nan 0.000 0.506 322 Y N 0.794 121.131 120.300 0.062 0.000 2.358 322 Y HA 0.384 4.934 4.550 -0.000 0.000 0.324 322 Y C -1.096 174.852 175.900 0.078 0.000 1.123 322 Y CA -0.918 57.216 58.100 0.056 0.000 1.067 322 Y CB 0.896 39.381 38.460 0.042 0.000 1.230 322 Y HN -0.046 nan 8.280 nan 0.000 0.429 323 S N 4.201 119.843 115.700 -0.097 0.000 2.599 323 S HA 0.924 5.394 4.470 -0.000 0.000 0.287 323 S C -1.955 172.561 174.600 -0.140 0.000 1.105 323 S CA -0.759 57.437 58.200 -0.006 0.000 0.899 323 S CB 2.053 65.278 63.200 0.042 0.000 1.100 323 S HN 0.482 nan 8.310 nan 0.000 0.482 324 V N 2.434 122.347 119.914 -0.002 0.000 2.588 324 V HA 0.526 4.646 4.120 -0.000 0.000 0.304 324 V C -0.594 175.526 176.094 0.043 0.000 1.042 324 V CA -0.655 61.636 62.300 -0.015 0.000 0.877 324 V CB 1.872 33.713 31.823 0.031 0.000 0.996 324 V HN 1.026 nan 8.190 nan 0.000 0.425 325 M N 4.029 123.629 119.600 -0.001 0.000 2.180 325 M HA 0.499 4.979 4.480 -0.000 0.000 0.350 325 M C -1.149 175.159 176.300 0.013 0.000 1.125 325 M CA -0.200 55.083 55.300 -0.027 0.000 1.031 325 M CB 0.957 33.500 32.600 -0.096 0.000 1.623 325 M HN 0.637 nan 8.290 nan 0.000 0.451 326 D N 4.500 124.906 120.400 0.009 0.000 2.252 326 D HA 0.560 5.200 4.640 -0.000 0.000 0.245 326 D C -1.329 174.944 176.300 -0.045 0.000 1.009 326 D CA -0.176 53.828 54.000 0.007 0.000 0.870 326 D CB 1.760 42.588 40.800 0.045 0.000 1.251 326 D HN 0.585 nan 8.370 nan 0.000 0.460 327 I N 2.156 122.717 120.570 -0.014 0.000 2.410 327 I HA 0.269 4.439 4.170 -0.000 0.000 0.286 327 I C -0.633 175.483 176.117 -0.002 0.000 1.009 327 I CA -0.448 60.841 61.300 -0.017 0.000 1.111 327 I CB 1.347 39.382 38.000 0.057 0.000 1.262 327 I HN 0.232 nan 8.210 nan 0.000 0.443 328 c N 4.305 122.892 118.600 -0.021 0.000 2.351 328 c HA 0.529 5.099 4.570 -0.000 0.000 0.326 328 c C -0.414 173.812 174.090 0.227 0.000 1.272 328 c CA -0.766 55.619 56.329 0.094 0.000 1.650 328 c CB 0.779 43.320 42.510 0.051 0.000 2.257 328 c HN 0.573 nan 8.230 nan 0.000 0.505 329 D N 0.909 121.444 120.400 0.224 0.000 2.362 329 D HA 0.244 4.884 4.640 -0.000 0.000 0.247 329 D C -0.648 175.630 176.300 -0.037 0.000 1.050 329 D CA -0.202 53.891 54.000 0.155 0.000 0.839 329 D CB 1.460 42.287 40.800 0.045 0.000 1.283 329 D HN 0.593 nan 8.370 nan 0.000 0.477 330 Y N 1.523 121.476 120.300 -0.577 0.000 2.411 330 Y HA 0.196 4.746 4.550 -0.000 0.000 0.333 330 Y C -0.213 175.362 175.900 -0.542 0.000 1.186 330 Y CA -0.280 57.060 58.100 -1.266 0.000 1.381 330 Y CB 0.768 38.313 38.460 -1.525 0.000 1.273 330 Y HN 0.172 nan 8.280 nan 0.000 0.546 331 D N 5.151 124.800 120.400 -1.253 0.000 2.441 331 D HA 0.095 4.735 4.640 -0.000 0.000 0.231 331 D C 0.949 176.636 176.300 -1.021 0.000 1.073 331 D CA -0.224 53.282 54.000 -0.824 0.000 0.850 331 D CB 0.595 41.129 40.800 -0.444 0.000 1.062 331 D HN 0.766 nan 8.370 nan 0.000 0.524 332 E N 2.176 121.951 120.200 -0.709 0.000 2.136 332 E HA -0.320 4.030 4.350 -0.000 0.000 0.208 332 E C 0.676 177.138 176.600 -0.230 0.000 1.035 332 E CA 1.750 57.928 56.400 -0.369 0.000 0.838 332 E CB -0.148 29.462 29.700 -0.149 0.000 0.748 332 E HN 0.375 nan 8.360 nan 0.000 0.459 333 S N 0.665 116.242 115.700 -0.204 0.000 2.345 333 S HA -0.105 4.365 4.470 -0.000 0.000 0.219 333 S C 2.126 176.667 174.600 -0.097 0.000 1.031 333 S CA 1.179 59.310 58.200 -0.114 0.000 0.984 333 S CB -0.212 62.932 63.200 -0.094 0.000 0.874 333 S HN 0.430 nan 8.310 nan 0.000 0.451 334 S N 0.381 116.000 115.700 -0.134 0.000 2.496 334 S HA 0.230 4.700 4.470 -0.000 0.000 0.224 334 S C 1.401 175.972 174.600 -0.048 0.000 0.996 334 S CA 0.886 59.038 58.200 -0.079 0.000 0.927 334 S CB -0.635 62.517 63.200 -0.080 0.000 0.774 334 S HN 0.871 nan 8.310 nan 0.000 0.524 335 G N 1.419 110.153 108.800 -0.111 0.000 2.249 335 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.273 335 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.273 335 G C 0.038 174.995 174.900 0.096 0.000 1.036 335 G CA 0.509 45.657 45.100 0.081 0.000 0.824 335 G HN 0.598 nan 8.290 nan 0.000 0.504 336 R N -2.080 118.349 120.500 -0.118 0.000 2.902 336 R HA 0.667 5.007 4.340 -0.000 0.000 0.258 336 R C -0.915 175.280 176.300 -0.175 0.000 1.071 336 R CA -0.943 55.142 56.100 -0.025 0.000 1.024 336 R CB 1.063 31.384 30.300 0.034 0.000 1.184 336 R HN 0.178 nan 8.270 nan 0.000 0.492 337 W N 0.875 122.211 121.300 0.061 0.000 2.417 337 W HA 0.408 5.068 4.660 0.000 0.000 0.315 337 W C -0.354 176.158 176.519 -0.011 0.000 1.045 337 W CA -0.438 56.926 57.345 0.032 0.000 1.221 337 W CB 1.178 30.645 29.460 0.012 0.000 1.309 337 W HN 0.172 nan 8.180 nan 0.000 0.453 338 N N 2.795 121.582 118.700 0.145 0.000 2.392 338 N HA 0.387 5.127 4.740 -0.000 0.000 0.283 338 N C -1.461 174.087 175.510 0.065 0.000 1.003 338 N CA -0.402 52.690 53.050 0.070 0.000 0.892 338 N CB 1.729 40.218 38.487 0.003 0.000 1.193 338 N HN 0.248 nan 8.380 nan 0.000 0.487 339 c N 3.346 121.969 118.600 0.037 0.000 2.250 339 c HA 0.320 4.890 4.570 -0.000 0.000 0.319 339 c C 0.353 174.440 174.090 -0.004 0.000 1.124 339 c CA -0.887 55.452 56.329 0.018 0.000 1.527 339 c CB -1.102 41.410 42.510 0.003 0.000 2.001 339 c HN 0.528 nan 8.230 nan 0.000 0.435 340 L N 3.607 124.830 121.223 0.000 0.000 2.638 340 L HA 0.026 4.366 4.340 -0.000 0.000 0.273 340 L C 1.595 178.452 176.870 -0.021 0.000 1.147 340 L CA 0.772 55.606 54.840 -0.011 0.000 0.941 340 L CB 0.055 42.111 42.059 -0.005 0.000 1.251 340 L HN 0.643 nan 8.230 nan 0.000 0.479 341 V N 4.178 124.073 119.914 -0.031 0.000 2.226 341 V HA -0.432 3.688 4.120 -0.000 0.000 0.254 341 V C 2.275 178.343 176.094 -0.044 0.000 1.065 341 V CA 2.403 64.680 62.300 -0.039 0.000 1.039 341 V CB -0.875 30.925 31.823 -0.039 0.000 0.653 341 V HN 1.025 nan 8.190 nan 0.000 0.450 342 A N -0.578 122.217 122.820 -0.041 0.000 2.186 342 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 342 A C 2.236 179.780 177.584 -0.068 0.000 1.159 342 A CA 1.798 53.804 52.037 -0.051 0.000 0.680 342 A CB -0.607 18.369 19.000 -0.040 0.000 0.787 342 A HN 0.628 nan 8.150 nan 0.000 0.467 343 R N -0.263 120.207 120.500 -0.050 0.000 2.468 343 R HA 0.165 4.505 4.340 -0.000 0.000 0.280 343 R C -0.137 176.133 176.300 -0.049 0.000 0.963 343 R CA -0.188 55.887 56.100 -0.042 0.000 1.083 343 R CB -0.042 30.266 30.300 0.013 0.000 1.200 343 R HN 0.604 nan 8.270 nan 0.000 0.541 344 Q N 0.392 120.143 119.800 -0.081 0.000 2.417 344 Q HA 0.104 4.444 4.340 -0.000 0.000 0.241 344 Q C -1.039 174.872 176.000 -0.150 0.000 1.008 344 Q CA 0.289 56.055 55.803 -0.061 0.000 0.901 344 Q CB 1.046 29.751 28.738 -0.055 0.000 1.259 344 Q HN 0.320 nan 8.270 nan 0.000 0.489 345 H N 0.308 119.356 119.070 -0.037 0.000 2.589 345 H HA 0.472 5.028 4.556 -0.000 0.000 0.351 345 H C -1.016 174.253 175.328 -0.098 0.000 1.074 345 H CA -0.438 55.579 56.048 -0.052 0.000 1.203 345 H CB 1.097 30.814 29.762 -0.075 0.000 1.558 345 H HN 0.407 nan 8.280 nan 0.000 0.522 346 I N 2.832 123.419 120.570 0.029 0.000 2.433 346 I HA 0.265 4.435 4.170 -0.000 0.000 0.292 346 I C -0.555 175.511 176.117 -0.085 0.000 1.001 346 I CA -0.425 60.804 61.300 -0.118 0.000 1.119 346 I CB 1.821 39.711 38.000 -0.182 0.000 1.289 346 I HN 0.523 nan 8.210 nan 0.000 0.438 347 E N 7.487 127.596 120.200 -0.152 0.000 2.220 347 E HA 0.541 4.891 4.350 -0.000 0.000 0.256 347 E C -1.136 175.401 176.600 -0.106 0.000 0.881 347 E CA -0.531 55.826 56.400 -0.072 0.000 0.766 347 E CB 2.118 31.799 29.700 -0.032 0.000 1.187 347 E HN 0.478 nan 8.360 nan 0.000 0.419 348 M N 0.994 120.566 119.600 -0.046 0.000 2.777 348 M HA 0.531 5.011 4.480 -0.000 0.000 0.307 348 M C -0.162 176.150 176.300 0.020 0.000 1.228 348 M CA -0.963 54.344 55.300 0.012 0.000 0.871 348 M CB 2.213 34.856 32.600 0.072 0.000 1.721 348 M HN 0.271 nan 8.290 nan 0.000 0.487 349 S N -1.085 114.627 115.700 0.021 0.000 2.541 349 S HA 0.505 4.975 4.470 -0.000 0.000 0.280 349 S C -0.185 174.396 174.600 -0.033 0.000 1.112 349 S CA -0.542 57.640 58.200 -0.031 0.000 0.925 349 S CB 1.832 64.968 63.200 -0.108 0.000 1.067 349 S HN 0.730 nan 8.310 nan 0.000 0.479 350 T N 2.513 117.039 114.554 -0.046 0.000 3.018 350 T HA 0.093 4.443 4.350 -0.000 0.000 0.246 350 T C 1.554 176.205 174.700 -0.082 0.000 1.026 350 T CA 0.562 62.638 62.100 -0.039 0.000 1.081 350 T CB -0.132 68.725 68.868 -0.018 0.000 0.970 350 T HN 0.614 nan 8.240 nan 0.000 0.475 351 T N 0.675 115.158 114.554 -0.119 0.000 3.043 351 T HA 0.363 4.713 4.350 -0.000 0.000 0.263 351 T C 1.149 175.563 174.700 -0.477 0.000 1.094 351 T CA 0.986 62.994 62.100 -0.154 0.000 1.127 351 T CB 0.077 68.949 68.868 0.007 0.000 0.905 351 T HN 0.520 nan 8.240 nan 0.000 0.490 352 G N -0.338 108.001 108.800 -0.769 0.000 3.046 352 G HA2 0.467 4.427 3.960 -0.000 0.000 0.137 352 G HA3 0.467 4.427 3.960 -0.000 0.000 0.137 352 G C -1.469 173.169 174.900 -0.436 0.000 1.207 352 G CA -0.349 44.152 45.100 -0.999 0.000 1.218 352 G HN 0.414 nan 8.290 nan 0.000 0.625 353 W N -0.174 120.916 121.300 -0.349 0.000 2.848 353 W HA 0.793 5.453 4.660 0.000 0.000 0.396 353 W C -0.530 175.958 176.519 -0.052 0.000 1.553 353 W CA -1.274 55.981 57.345 -0.151 0.000 1.488 353 W CB 0.516 29.875 29.460 -0.168 0.000 1.732 353 W HN 0.291 nan 8.180 nan 0.000 0.681 354 V N 2.257 122.283 119.914 0.187 0.000 2.435 354 V HA 0.786 4.906 4.120 -0.000 0.000 0.290 354 V C 0.596 176.800 176.094 0.184 0.000 1.030 354 V CA -0.028 62.332 62.300 0.100 0.000 0.881 354 V CB 0.081 31.970 31.823 0.111 0.000 0.983 354 V HN 1.354 nan 8.190 nan 0.000 0.445 355 G N 4.498 113.360 108.800 0.102 0.000 2.781 355 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.683 355 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.683 355 G C 0.272 175.299 174.900 0.211 0.000 1.390 355 G CA 0.257 45.449 45.100 0.152 0.000 0.850 355 G HN 0.689 nan 8.290 nan 0.000 0.557 356 R N -0.561 120.059 120.500 0.200 0.000 2.061 356 R HA 0.085 4.425 4.340 -0.000 0.000 0.230 356 R C 2.155 178.544 176.300 0.149 0.000 1.140 356 R CA 2.301 58.497 56.100 0.160 0.000 0.940 356 R CB -0.141 30.260 30.300 0.167 0.000 0.839 356 R HN 0.494 nan 8.270 nan 0.000 0.429 357 F N -0.838 119.268 119.950 0.260 0.000 2.712 357 F HA 0.254 4.781 4.527 -0.000 0.000 0.297 357 F C 0.715 176.587 175.800 0.120 0.000 1.114 357 F CA -0.387 57.721 58.000 0.180 0.000 1.305 357 F CB 0.676 39.760 39.000 0.141 0.000 1.086 357 F HN -0.071 nan 8.300 nan 0.000 0.599 358 R N -0.683 120.002 120.500 0.308 0.000 2.741 358 R HA 0.401 4.741 4.340 -0.000 0.000 0.276 358 R C -3.409 172.990 176.300 0.164 0.000 1.028 358 R CA -1.832 54.383 56.100 0.193 0.000 0.865 358 R CB 0.355 30.736 30.300 0.135 0.000 1.268 358 R HN -0.346 nan 8.270 nan 0.000 0.475 359 P HA 0.028 nan 4.420 nan 0.000 0.268 359 P C -0.212 177.126 177.300 0.063 0.000 1.205 359 P CA -0.096 63.048 63.100 0.073 0.000 0.771 359 P CB 0.918 32.637 31.700 0.031 0.000 0.858 360 S N 1.016 116.754 115.700 0.063 0.000 2.624 360 S HA 0.179 4.649 4.470 -0.000 0.000 0.263 360 S C 0.084 174.699 174.600 0.026 0.000 1.287 360 S CA -0.675 57.574 58.200 0.081 0.000 0.990 360 S CB 0.422 63.693 63.200 0.117 0.000 0.950 360 S HN 0.518 nan 8.310 nan 0.000 0.561 361 E N 1.625 121.858 120.200 0.055 0.000 2.354 361 E HA 0.338 4.688 4.350 -0.000 0.000 0.269 361 E C -2.304 174.271 176.600 -0.042 0.000 1.036 361 E CA -2.239 54.136 56.400 -0.042 0.000 0.876 361 E CB 0.653 30.323 29.700 -0.050 0.000 1.009 361 E HN 0.493 nan 8.360 nan 0.000 0.416 362 P HA 0.218 nan 4.420 nan 0.000 0.292 362 P C -1.438 175.738 177.300 -0.206 0.000 1.283 362 P CA -0.532 62.428 63.100 -0.234 0.000 0.835 362 P CB 0.960 32.217 31.700 -0.738 0.000 1.017 363 H N 1.696 120.787 119.070 0.035 0.000 2.685 363 H HA 0.395 4.951 4.556 -0.000 0.000 0.307 363 H C -0.345 175.118 175.328 0.224 0.000 1.017 363 H CA -0.240 55.909 56.048 0.169 0.000 1.237 363 H CB -0.141 29.740 29.762 0.198 0.000 1.409 363 H HN 0.227 nan 8.280 nan 0.000 0.488 364 F N 1.624 121.747 119.950 0.289 0.000 2.429 364 F HA 0.146 4.673 4.527 -0.000 0.000 0.348 364 F C 1.174 177.165 175.800 0.319 0.000 1.109 364 F CA -0.660 57.529 58.000 0.315 0.000 1.232 364 F CB 0.771 39.881 39.000 0.184 0.000 1.157 364 F HN 0.405 nan 8.300 nan 0.000 0.564 365 T N 1.553 116.417 114.554 0.515 0.000 2.903 365 T HA 0.024 4.374 4.350 -0.000 0.000 0.314 365 T C 1.179 176.083 174.700 0.339 0.000 1.078 365 T CA -0.790 61.552 62.100 0.403 0.000 1.114 365 T CB 0.671 69.749 68.868 0.351 0.000 0.987 365 T HN 0.633 nan 8.240 nan 0.000 0.548 366 L N 1.393 122.769 121.223 0.255 0.000 2.137 366 L HA -0.147 4.193 4.340 -0.000 0.000 0.213 366 L C 1.828 178.808 176.870 0.184 0.000 1.085 366 L CA 2.354 57.314 54.840 0.200 0.000 0.760 366 L CB -0.970 41.182 42.059 0.154 0.000 0.893 366 L HN 0.913 nan 8.230 nan 0.000 0.434 367 D N -1.602 118.911 120.400 0.188 0.000 2.349 367 D HA 0.145 4.785 4.640 -0.000 0.000 0.215 367 D C 1.603 178.010 176.300 0.179 0.000 1.016 367 D CA 0.641 54.737 54.000 0.161 0.000 0.870 367 D CB -0.420 40.462 40.800 0.136 0.000 0.917 367 D HN 0.405 nan 8.370 nan 0.000 0.524 368 G N 0.480 109.430 108.800 0.250 0.000 2.153 368 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.252 368 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.252 368 G C 0.853 175.955 174.900 0.336 0.000 0.994 368 G CA 0.306 45.578 45.100 0.286 0.000 0.698 368 G HN 0.375 nan 8.290 nan 0.000 0.521 369 N N -0.004 118.867 118.700 0.284 0.000 2.254 369 N HA 0.195 4.935 4.740 -0.000 0.000 0.190 369 N C 0.720 176.328 175.510 0.163 0.000 1.107 369 N CA 1.077 54.258 53.050 0.217 0.000 0.869 369 N CB 0.502 39.069 38.487 0.134 0.000 0.983 369 N HN 0.796 nan 8.380 nan 0.000 0.487 370 S N -0.545 115.259 115.700 0.173 0.000 2.625 370 S HA 0.763 5.233 4.470 -0.000 0.000 0.271 370 S C -0.929 173.631 174.600 -0.066 0.000 1.161 370 S CA -0.944 57.150 58.200 -0.177 0.000 0.820 370 S CB 1.903 64.895 63.200 -0.347 0.000 1.137 370 S HN 0.131 nan 8.310 nan 0.000 0.470 371 F N -2.272 117.420 119.950 -0.429 0.000 2.817 371 F HA 0.829 5.356 4.527 0.000 0.000 0.317 371 F C -2.245 173.327 175.800 -0.379 0.000 1.168 371 F CA -1.539 56.199 58.000 -0.437 0.000 0.911 371 F CB 0.531 38.881 39.000 -1.083 0.000 1.337 371 F HN 0.606 nan 8.300 nan 0.000 0.464 372 Y N 0.467 120.924 120.300 0.262 0.000 2.536 372 Y HA 0.775 5.325 4.550 -0.000 0.000 0.347 372 Y C -0.420 175.654 175.900 0.290 0.000 1.000 372 Y CA -1.195 57.047 58.100 0.236 0.000 1.051 372 Y CB 2.442 40.993 38.460 0.151 0.000 1.259 372 Y HN 0.756 nan 8.280 nan 0.000 0.468 373 K N 2.100 122.742 120.400 0.402 0.000 2.622 373 K HA 0.405 4.725 4.320 -0.000 0.000 0.263 373 K C -1.987 174.762 176.600 0.248 0.000 0.947 373 K CA -0.453 56.017 56.287 0.305 0.000 0.885 373 K CB 1.553 34.191 32.500 0.231 0.000 1.362 373 K HN 0.728 nan 8.250 nan 0.000 0.413 374 I N 4.678 125.363 120.570 0.191 0.000 2.474 374 I HA 0.317 4.487 4.170 -0.000 0.000 0.287 374 I C -0.006 176.215 176.117 0.173 0.000 1.048 374 I CA -0.216 61.181 61.300 0.161 0.000 1.383 374 I CB 0.635 38.710 38.000 0.125 0.000 1.412 374 I HN 0.439 nan 8.210 nan 0.000 0.531 375 I N 3.848 124.549 120.570 0.218 0.000 2.918 375 I HA 0.135 4.305 4.170 -0.000 0.000 0.301 375 I C -0.309 175.957 176.117 0.248 0.000 1.312 375 I CA -0.314 61.124 61.300 0.230 0.000 1.007 375 I CB 2.421 40.583 38.000 0.269 0.000 1.281 375 I HN 0.399 nan 8.210 nan 0.000 0.440 376 S N 4.355 120.139 115.700 0.140 0.000 2.481 376 S HA 0.229 4.699 4.470 -0.000 0.000 0.276 376 S C -0.034 174.602 174.600 0.060 0.000 1.247 376 S CA -0.462 57.762 58.200 0.040 0.000 1.053 376 S CB -0.148 63.027 63.200 -0.041 0.000 0.925 376 S HN 0.710 nan 8.310 nan 0.000 0.491 377 N N 3.130 121.768 118.700 -0.103 0.000 2.381 377 N HA 0.186 4.926 4.740 -0.000 0.000 0.289 377 N C 0.589 176.002 175.510 -0.162 0.000 1.288 377 N CA -0.656 52.197 53.050 -0.327 0.000 0.960 377 N CB 0.322 38.282 38.487 -0.878 0.000 1.116 377 N HN 0.618 nan 8.380 nan 0.000 0.557 378 E N -0.673 119.420 120.200 -0.178 0.000 2.285 378 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 378 E C 0.639 177.194 176.600 -0.076 0.000 0.997 378 E CA 0.755 57.098 56.400 -0.095 0.000 0.845 378 E CB 0.128 29.776 29.700 -0.086 0.000 0.782 378 E HN 0.546 nan 8.360 nan 0.000 0.491 379 E N -0.484 119.676 120.200 -0.067 0.000 2.489 379 E HA 0.066 4.416 4.350 -0.000 0.000 0.193 379 E C 0.848 177.453 176.600 0.007 0.000 1.057 379 E CA 0.493 56.904 56.400 0.019 0.000 0.866 379 E CB 0.474 30.223 29.700 0.080 0.000 0.916 379 E HN 0.310 nan 8.360 nan 0.000 0.500 380 G N 0.165 108.914 108.800 -0.086 0.000 2.147 380 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.244 380 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.244 380 G C -0.483 174.182 174.900 -0.392 0.000 1.005 380 G CA -0.059 44.905 45.100 -0.226 0.000 0.713 380 G HN 0.232 nan 8.290 nan 0.000 0.515 381 Y N 0.005 120.204 120.300 -0.168 0.000 2.361 381 Y HA 0.616 5.166 4.550 -0.000 0.000 0.332 381 Y C 1.232 177.060 175.900 -0.120 0.000 1.101 381 Y CA -0.943 57.068 58.100 -0.148 0.000 1.137 381 Y CB 1.030 39.412 38.460 -0.131 0.000 1.207 381 Y HN 0.112 nan 8.280 nan 0.000 0.463 382 R N 2.947 123.397 120.500 -0.084 0.000 2.248 382 R HA 0.339 4.679 4.340 -0.000 0.000 0.328 382 R C -1.169 174.891 176.300 -0.399 0.000 1.067 382 R CA -0.253 55.776 56.100 -0.118 0.000 0.924 382 R CB 0.138 30.396 30.300 -0.069 0.000 1.013 382 R HN 0.722 nan 8.270 nan 0.000 0.454 383 H N 0.684 119.733 119.070 -0.035 0.000 2.946 383 H HA 0.372 4.928 4.556 -0.000 0.000 0.365 383 H C -0.364 175.047 175.328 0.138 0.000 1.197 383 H CA -0.759 55.257 56.048 -0.054 0.000 1.131 383 H CB 1.607 31.238 29.762 -0.219 0.000 1.849 383 H HN 0.358 nan 8.280 nan 0.000 0.555 384 I N 1.329 121.979 120.570 0.132 0.000 2.416 384 I HA 0.108 4.278 4.170 -0.000 0.000 0.288 384 I C -0.137 176.012 176.117 0.054 0.000 1.051 384 I CA 0.109 61.450 61.300 0.069 0.000 1.375 384 I CB 0.334 38.287 38.000 -0.078 0.000 1.407 384 I HN 0.313 nan 8.210 nan 0.000 0.516 385 c N 7.159 125.709 118.600 -0.082 0.000 2.456 385 c HA 0.473 5.043 4.570 -0.000 0.000 0.325 385 c C -0.546 173.330 174.090 -0.356 0.000 1.217 385 c CA -0.554 55.456 56.329 -0.532 0.000 1.687 385 c CB 1.067 42.990 42.510 -0.980 0.000 2.270 385 c HN 0.669 nan 8.230 nan 0.000 0.499 386 Y N 4.303 124.189 120.300 -0.691 0.000 2.331 386 Y HA 0.684 5.234 4.550 -0.000 0.000 0.338 386 Y C -1.178 174.180 175.900 -0.903 0.000 0.992 386 Y CA -0.917 56.770 58.100 -0.688 0.000 1.121 386 Y CB 0.451 38.608 38.460 -0.505 0.000 1.184 386 Y HN 0.623 nan 8.280 nan 0.000 0.469 387 F N 4.264 123.483 119.950 -1.220 0.000 2.458 387 F HA 0.483 5.010 4.527 -0.000 0.000 0.336 387 F C -0.270 174.708 175.800 -1.369 0.000 1.114 387 F CA -0.693 56.522 58.000 -1.308 0.000 0.987 387 F CB 1.758 39.680 39.000 -1.797 0.000 1.130 387 F HN 0.367 nan 8.300 nan 0.000 0.458 388 Q N 3.359 122.741 119.800 -0.698 0.000 2.307 388 Q HA 0.375 4.715 4.340 -0.000 0.000 0.262 388 Q C 0.988 176.904 176.000 -0.141 0.000 0.961 388 Q CA -0.526 55.012 55.803 -0.441 0.000 0.882 388 Q CB 2.505 31.051 28.738 -0.320 0.000 1.264 388 Q HN 0.769 nan 8.270 nan 0.000 0.446 389 I N 1.278 121.834 120.570 -0.023 0.000 2.248 389 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 389 I C 1.059 177.260 176.117 0.138 0.000 1.107 389 I CA 1.476 62.879 61.300 0.172 0.000 1.373 389 I CB 0.204 38.354 38.000 0.250 0.000 1.055 389 I HN 0.697 nan 8.210 nan 0.000 0.418 390 D N -0.022 120.411 120.400 0.055 0.000 2.368 390 D HA 0.066 4.706 4.640 -0.000 0.000 0.218 390 D C 0.583 176.874 176.300 -0.016 0.000 1.112 390 D CA 0.189 54.200 54.000 0.017 0.000 0.834 390 D CB 0.501 41.309 40.800 0.013 0.000 0.953 390 D HN 0.200 nan 8.370 nan 0.000 0.505 391 K N 0.327 120.719 120.400 -0.013 0.000 2.526 391 K HA 0.277 4.597 4.320 -0.000 0.000 0.256 391 K C 1.187 177.768 176.600 -0.032 0.000 1.035 391 K CA -0.340 55.927 56.287 -0.032 0.000 1.011 391 K CB 0.904 33.372 32.500 -0.053 0.000 1.343 391 K HN -0.120 nan 8.250 nan 0.000 0.510 392 K N -0.886 119.498 120.400 -0.027 0.000 2.502 392 K HA 0.261 4.581 4.320 -0.000 0.000 0.211 392 K C 0.148 176.780 176.600 0.053 0.000 1.259 392 K CA 0.009 56.278 56.287 -0.029 0.000 0.983 392 K CB 0.578 33.037 32.500 -0.068 0.000 1.054 392 K HN 0.207 nan 8.250 nan 0.000 0.572 393 D N 0.487 120.883 120.400 -0.006 0.000 2.595 393 D HA 0.421 5.061 4.640 -0.000 0.000 0.268 393 D C -0.120 176.038 176.300 -0.237 0.000 1.181 393 D CA -0.333 53.630 54.000 -0.062 0.000 1.085 393 D CB 1.545 42.290 40.800 -0.091 0.000 1.186 393 D HN 0.321 nan 8.370 nan 0.000 0.621 394 c N -2.053 116.257 118.600 -0.482 0.000 3.213 394 c HA 0.844 5.414 4.570 -0.000 0.000 0.319 394 c C -0.526 173.186 174.090 -0.629 0.000 1.386 394 c CA -0.547 55.228 56.329 -0.923 0.000 1.494 394 c CB 1.287 42.503 42.510 -2.157 0.000 1.905 394 c HN 0.446 nan 8.230 nan 0.000 0.456 395 T N 1.650 115.843 114.554 -0.601 0.000 2.812 395 T HA 0.549 4.899 4.350 -0.000 0.000 0.282 395 T C -0.769 173.676 174.700 -0.425 0.000 0.990 395 T CA 0.135 62.036 62.100 -0.332 0.000 0.960 395 T CB 0.496 69.314 68.868 -0.083 0.000 0.948 395 T HN 0.479 nan 8.240 nan 0.000 0.438 396 F N 2.150 121.987 119.950 -0.188 0.000 2.459 396 F HA 0.360 4.887 4.527 -0.000 0.000 0.346 396 F C 1.291 176.928 175.800 -0.272 0.000 1.128 396 F CA -0.438 57.437 58.000 -0.209 0.000 1.268 396 F CB 0.548 39.433 39.000 -0.192 0.000 1.161 396 F HN 0.518 nan 8.300 nan 0.000 0.583 397 I N -0.034 120.473 120.570 -0.104 0.000 4.526 397 I HA 0.047 4.217 4.170 -0.000 0.000 0.330 397 I C -0.073 175.925 176.117 -0.197 0.000 1.323 397 I CA 0.346 61.402 61.300 -0.407 0.000 1.218 397 I CB 0.500 38.121 38.000 -0.632 0.000 1.233 397 I HN 0.660 nan 8.210 nan 0.000 0.430 398 T N -0.636 113.863 114.554 -0.092 0.000 2.896 398 T HA 0.734 5.084 4.350 -0.000 0.000 0.297 398 T C -0.826 173.577 174.700 -0.495 0.000 1.108 398 T CA -0.769 61.282 62.100 -0.081 0.000 1.004 398 T CB 2.537 71.458 68.868 0.088 0.000 1.159 398 T HN 0.132 nan 8.240 nan 0.000 0.499 399 K N -0.185 119.720 120.400 -0.825 0.000 2.575 399 K HA 0.828 5.148 4.320 -0.000 0.000 0.279 399 K C -0.493 175.474 176.600 -1.055 0.000 0.969 399 K CA -1.042 54.440 56.287 -1.342 0.000 0.868 399 K CB 1.555 33.667 32.500 -0.648 0.000 1.457 399 K HN 1.469 nan 8.250 nan 0.000 0.426 400 G N -0.127 108.042 108.800 -1.052 0.000 2.359 400 G HA2 0.094 4.054 3.960 -0.000 0.000 0.314 400 G HA3 0.094 4.054 3.960 -0.000 0.000 0.314 400 G C -1.119 173.237 174.900 -0.906 0.000 1.364 400 G CA -0.807 43.852 45.100 -0.734 0.000 0.978 400 G HN 0.436 nan 8.290 nan 0.000 0.615 401 T N 2.430 116.589 114.554 -0.659 0.000 3.843 401 T HA 0.475 4.825 4.350 -0.000 0.000 0.227 401 T C -0.151 174.375 174.700 -0.290 0.000 1.043 401 T CA 0.634 62.215 62.100 -0.864 0.000 1.012 401 T CB -1.158 67.465 68.868 -0.409 0.000 1.279 401 T HN 0.650 nan 8.240 nan 0.000 0.730 402 W N -0.252 120.931 121.300 -0.195 0.000 2.895 402 W HA 0.586 5.246 4.660 -0.000 0.000 0.377 402 W C -1.379 175.193 176.519 0.089 0.000 1.191 402 W CA -0.990 56.378 57.345 0.038 0.000 1.179 402 W CB 0.808 30.265 29.460 -0.004 0.000 1.469 402 W HN -0.035 nan 8.180 nan 0.000 0.577 403 E N 0.777 121.222 120.200 0.408 0.000 2.343 403 E HA 0.470 4.820 4.350 -0.000 0.000 0.270 403 E C -1.145 175.608 176.600 0.256 0.000 0.895 403 E CA -1.111 55.345 56.400 0.094 0.000 0.767 403 E CB 3.420 33.198 29.700 0.129 0.000 1.248 403 E HN 0.154 nan 8.360 nan 0.000 0.440 404 V N 2.747 122.666 119.914 0.009 0.000 2.546 404 V HA 0.110 4.230 4.120 -0.000 0.000 0.284 404 V C 0.744 176.932 176.094 0.157 0.000 1.050 404 V CA 0.276 62.667 62.300 0.153 0.000 0.981 404 V CB 1.026 32.817 31.823 -0.053 0.000 0.990 404 V HN 0.674 nan 8.190 nan 0.000 0.474 405 I N 2.369 123.058 120.570 0.199 0.000 3.939 405 I HA 0.430 4.600 4.170 -0.000 0.000 0.313 405 I C 0.974 177.201 176.117 0.184 0.000 1.274 405 I CA 0.736 62.145 61.300 0.181 0.000 1.301 405 I CB 0.604 38.652 38.000 0.079 0.000 1.105 405 I HN 0.769 nan 8.210 nan 0.000 0.427 406 G N 0.607 109.517 108.800 0.182 0.000 2.691 406 G HA2 0.471 4.431 3.960 -0.000 0.000 0.298 406 G HA3 0.471 4.431 3.960 -0.000 0.000 0.298 406 G C -1.237 173.749 174.900 0.143 0.000 1.471 406 G CA -0.554 44.644 45.100 0.164 0.000 0.912 406 G HN -0.093 nan 8.290 nan 0.000 0.553 407 I N 1.745 122.328 120.570 0.022 0.000 2.371 407 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 407 I C 0.724 176.772 176.117 -0.114 0.000 1.028 407 I CA -0.407 60.811 61.300 -0.135 0.000 1.345 407 I CB 1.632 39.291 38.000 -0.569 0.000 1.407 407 I HN 0.508 nan 8.210 nan 0.000 0.501 408 E N 4.817 125.009 120.200 -0.014 0.000 2.399 408 E HA 0.351 4.701 4.350 -0.000 0.000 0.205 408 E C -0.031 176.497 176.600 -0.120 0.000 0.906 408 E CA 0.150 56.568 56.400 0.030 0.000 0.998 408 E CB 1.125 30.915 29.700 0.150 0.000 1.002 408 E HN 0.666 nan 8.360 nan 0.000 0.501 409 A N 0.816 123.501 122.820 -0.225 0.000 2.589 409 A HA 0.612 4.932 4.320 -0.000 0.000 0.296 409 A C -1.957 175.580 177.584 -0.078 0.000 1.062 409 A CA -0.624 51.213 52.037 -0.333 0.000 0.686 409 A CB 1.354 19.639 19.000 -1.192 0.000 1.282 409 A HN 0.038 nan 8.150 nan 0.000 0.404 410 L N 1.663 122.876 121.223 -0.017 0.000 2.439 410 L HA 0.832 5.172 4.340 -0.000 0.000 0.270 410 L C 0.023 176.944 176.870 0.085 0.000 0.972 410 L CA 0.481 55.339 54.840 0.029 0.000 0.836 410 L CB 2.051 44.151 42.059 0.068 0.000 1.255 410 L HN 1.196 nan 8.230 nan 0.000 0.404 411 T N -0.240 114.378 114.554 0.108 0.000 2.907 411 T HA 0.394 4.744 4.350 -0.000 0.000 0.290 411 T C 1.075 175.805 174.700 0.050 0.000 1.066 411 T CA 0.037 62.204 62.100 0.112 0.000 1.012 411 T CB 1.327 70.300 68.868 0.175 0.000 1.184 411 T HN 0.716 nan 8.240 nan 0.000 0.522 412 S N 0.207 115.930 115.700 0.039 0.000 2.441 412 S HA -0.174 4.296 4.470 -0.000 0.000 0.242 412 S C 0.849 175.384 174.600 -0.109 0.000 1.018 412 S CA 1.635 59.835 58.200 0.001 0.000 0.988 412 S CB -0.637 62.566 63.200 0.004 0.000 0.778 412 S HN 0.791 nan 8.310 nan 0.000 0.498 413 D N -0.976 119.270 120.400 -0.257 0.000 2.449 413 D HA 0.247 4.887 4.640 -0.000 0.000 0.210 413 D C -0.629 175.174 176.300 -0.828 0.000 1.094 413 D CA 0.288 53.921 54.000 -0.611 0.000 0.846 413 D CB 0.420 40.652 40.800 -0.947 0.000 1.003 413 D HN 0.480 nan 8.370 nan 0.000 0.504 414 Y N 0.117 120.353 120.300 -0.108 0.000 2.544 414 Y HA 0.436 4.986 4.550 -0.000 0.000 0.342 414 Y C -0.712 174.987 175.900 -0.335 0.000 1.062 414 Y CA -1.038 56.903 58.100 -0.266 0.000 1.023 414 Y CB 2.017 40.198 38.460 -0.465 0.000 1.308 414 Y HN -0.272 nan 8.280 nan 0.000 0.457 415 L N 2.516 123.604 121.223 -0.225 0.000 2.346 415 L HA 0.680 5.020 4.340 -0.000 0.000 0.276 415 L C -1.865 174.839 176.870 -0.277 0.000 1.006 415 L CA -0.697 53.987 54.840 -0.260 0.000 0.817 415 L CB 1.211 43.050 42.059 -0.367 0.000 1.272 415 L HN 0.673 nan 8.230 nan 0.000 0.421 416 Y N 4.636 124.885 120.300 -0.085 0.000 2.341 416 Y HA 0.550 5.100 4.550 -0.000 0.000 0.337 416 Y C -0.491 175.421 175.900 0.020 0.000 1.014 416 Y CA -0.340 57.709 58.100 -0.085 0.000 1.111 416 Y CB 1.352 39.670 38.460 -0.237 0.000 1.194 416 Y HN 0.546 nan 8.280 nan 0.000 0.462 417 Y N -0.032 120.323 120.300 0.092 0.000 2.655 417 Y HA 0.823 5.373 4.550 -0.000 0.000 0.336 417 Y C -1.666 174.302 175.900 0.113 0.000 1.154 417 Y CA -2.114 56.025 58.100 0.064 0.000 1.055 417 Y CB 1.028 39.505 38.460 0.028 0.000 1.295 417 Y HN 0.402 nan 8.280 nan 0.000 0.465 418 I N 2.513 123.198 120.570 0.191 0.000 2.525 418 I HA 0.677 4.847 4.170 -0.000 0.000 0.301 418 I C -0.078 176.194 176.117 0.259 0.000 0.992 418 I CA -0.394 60.964 61.300 0.096 0.000 1.162 418 I CB 2.013 40.040 38.000 0.045 0.000 1.332 418 I HN 0.894 nan 8.210 nan 0.000 0.458 419 S N 2.898 118.718 115.700 0.200 0.000 2.776 419 S HA 0.383 4.853 4.470 -0.000 0.000 0.292 419 S C -0.582 174.063 174.600 0.075 0.000 1.187 419 S CA -0.915 57.409 58.200 0.208 0.000 0.834 419 S CB 1.480 64.827 63.200 0.246 0.000 1.199 419 S HN 0.767 nan 8.310 nan 0.000 0.514 420 N N -0.802 117.943 118.700 0.075 0.000 2.458 420 N HA 0.215 4.955 4.740 -0.000 0.000 0.274 420 N C 0.654 176.137 175.510 -0.045 0.000 1.242 420 N CA -0.463 52.590 53.050 0.007 0.000 0.904 420 N CB 0.473 38.955 38.487 -0.008 0.000 1.206 420 N HN 0.690 nan 8.380 nan 0.000 0.510 421 E N 0.499 120.542 120.200 -0.262 0.000 2.047 421 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 421 E C -0.285 176.214 176.600 -0.168 0.000 0.987 421 E CA 0.550 56.600 56.400 -0.584 0.000 0.799 421 E CB 0.010 28.908 29.700 -1.337 0.000 0.752 421 E HN 0.412 nan 8.360 nan 0.000 0.449 422 Y N 2.026 122.256 120.300 -0.118 0.000 2.881 422 Y HA -0.194 4.356 4.550 -0.000 0.000 0.335 422 Y C 0.362 176.231 175.900 -0.052 0.000 1.263 422 Y CA 0.905 58.969 58.100 -0.061 0.000 1.572 422 Y CB 0.076 38.512 38.460 -0.040 0.000 1.237 422 Y HN 0.052 nan 8.280 nan 0.000 0.568 423 K N 3.459 123.593 120.400 -0.443 0.000 2.948 423 K HA -0.268 4.052 4.320 -0.000 0.000 0.253 423 K C 0.947 177.493 176.600 -0.089 0.000 0.970 423 K CA 0.750 56.844 56.287 -0.322 0.000 0.716 423 K CB -1.912 30.355 32.500 -0.389 0.000 1.249 423 K HN 1.232 nan 8.250 nan 0.000 0.483 424 G N 0.266 109.033 108.800 -0.054 0.000 2.212 424 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.267 424 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.267 424 G C 0.082 174.990 174.900 0.012 0.000 1.002 424 G CA 0.964 46.081 45.100 0.029 0.000 0.729 424 G HN 0.406 nan 8.290 nan 0.000 0.517 425 M N 0.071 119.613 119.600 -0.097 0.000 2.077 425 M HA 0.296 4.776 4.480 -0.000 0.000 0.348 425 M C -1.530 174.556 176.300 -0.356 0.000 1.252 425 M CA -1.912 53.173 55.300 -0.357 0.000 1.096 425 M CB 1.625 34.074 32.600 -0.252 0.000 1.568 425 M HN -0.151 nan 8.290 nan 0.000 0.456 426 P HA 0.029 nan 4.420 nan 0.000 0.233 426 P C 1.115 178.277 177.300 -0.229 0.000 1.167 426 P CA 0.665 63.606 63.100 -0.266 0.000 0.770 426 P CB 0.294 31.847 31.700 -0.245 0.000 0.837 427 G N -0.847 107.764 108.800 -0.315 0.000 3.233 427 G HA2 0.281 4.241 3.960 -0.000 0.000 0.234 427 G HA3 0.281 4.241 3.960 -0.000 0.000 0.234 427 G C 0.640 175.537 174.900 -0.005 0.000 1.137 427 G CA -0.029 45.006 45.100 -0.109 0.000 0.763 427 G HN 0.345 nan 8.290 nan 0.000 0.549 428 G N -0.059 108.680 108.800 -0.101 0.000 2.462 428 G HA2 0.630 4.590 3.960 -0.000 0.000 0.319 428 G HA3 0.630 4.590 3.960 -0.000 0.000 0.319 428 G C -0.669 174.095 174.900 -0.228 0.000 1.171 428 G CA -0.747 44.314 45.100 -0.065 0.000 0.920 428 G HN 0.136 nan 8.290 nan 0.000 0.499 429 R N 1.149 121.452 120.500 -0.329 0.000 2.510 429 R HA 0.333 4.673 4.340 -0.000 0.000 0.287 429 R C -1.402 174.789 176.300 -0.181 0.000 1.084 429 R CA -0.749 55.108 56.100 -0.405 0.000 0.934 429 R CB 2.059 31.803 30.300 -0.927 0.000 1.201 429 R HN 0.593 nan 8.270 nan 0.000 0.431 430 N N 1.768 120.393 118.700 -0.125 0.000 2.357 430 N HA 0.342 5.082 4.740 -0.000 0.000 0.284 430 N C -1.350 173.977 175.510 -0.305 0.000 1.236 430 N CA -0.859 52.051 53.050 -0.233 0.000 0.774 430 N CB 2.665 40.910 38.487 -0.403 0.000 1.534 430 N HN 0.232 nan 8.380 nan 0.000 0.478 431 L N 2.047 122.973 121.223 -0.495 0.000 2.305 431 L HA 0.459 4.799 4.340 -0.000 0.000 0.281 431 L C -1.358 175.112 176.870 -0.667 0.000 1.085 431 L CA 0.043 54.611 54.840 -0.454 0.000 0.813 431 L CB -0.167 41.618 42.059 -0.456 0.000 1.157 431 L HN 0.409 nan 8.230 nan 0.000 0.436 432 Y N 3.464 123.389 120.300 -0.624 0.000 2.570 432 Y HA 0.569 5.119 4.550 -0.000 0.000 0.345 432 Y C -0.245 175.355 175.900 -0.501 0.000 1.014 432 Y CA -0.868 56.858 58.100 -0.623 0.000 1.063 432 Y CB 1.602 39.563 38.460 -0.832 0.000 1.272 432 Y HN 0.465 nan 8.280 nan 0.000 0.477 433 K N 2.182 122.495 120.400 -0.145 0.000 2.292 433 K HA 0.702 5.022 4.320 -0.000 0.000 0.257 433 K C -1.767 174.791 176.600 -0.069 0.000 0.940 433 K CA -0.430 55.705 56.287 -0.253 0.000 0.811 433 K CB 1.086 33.423 32.500 -0.272 0.000 1.120 433 K HN 0.713 nan 8.250 nan 0.000 0.428 434 I N 3.398 123.930 120.570 -0.064 0.000 2.436 434 I HA 0.157 4.327 4.170 -0.000 0.000 0.289 434 I C -0.208 175.955 176.117 0.076 0.000 1.010 434 I CA -0.723 60.618 61.300 0.069 0.000 1.098 434 I CB 2.085 40.147 38.000 0.103 0.000 1.266 434 I HN 0.525 nan 8.210 nan 0.000 0.434 435 Q N 5.586 125.457 119.800 0.119 0.000 2.286 435 Q HA 0.215 4.555 4.340 -0.000 0.000 0.265 435 Q C 0.920 176.941 176.000 0.035 0.000 1.080 435 Q CA -0.099 55.757 55.803 0.088 0.000 0.906 435 Q CB 0.907 29.694 28.738 0.082 0.000 1.227 435 Q HN 0.695 nan 8.270 nan 0.000 0.409 436 L N 1.839 123.042 121.223 -0.033 0.000 2.261 436 L HA -0.187 4.153 4.340 -0.000 0.000 0.216 436 L C 2.125 178.933 176.870 -0.103 0.000 1.114 436 L CA 1.278 56.121 54.840 0.005 0.000 0.777 436 L CB -0.495 41.540 42.059 -0.041 0.000 0.910 436 L HN 0.592 nan 8.230 nan 0.000 0.440 437 S N -2.051 113.570 115.700 -0.132 0.000 2.603 437 S HA -0.033 4.437 4.470 -0.000 0.000 0.220 437 S C 0.307 174.782 174.600 -0.208 0.000 0.967 437 S CA 0.039 58.137 58.200 -0.170 0.000 0.920 437 S CB -0.057 63.067 63.200 -0.127 0.000 0.773 437 S HN 0.447 nan 8.310 nan 0.000 0.529 438 D N -0.413 119.868 120.400 -0.198 0.000 2.251 438 D HA 0.139 4.779 4.640 -0.000 0.000 0.210 438 D C -0.305 175.972 176.300 -0.039 0.000 1.304 438 D CA -0.512 53.375 54.000 -0.189 0.000 0.912 438 D CB -0.316 40.428 40.800 -0.094 0.000 1.553 438 D HN -0.059 nan 8.370 nan 0.000 0.526 439 Y N 1.124 121.407 120.300 -0.029 0.000 2.465 439 Y HA -0.104 4.446 4.550 0.000 0.000 0.289 439 Y C 2.496 178.402 175.900 0.010 0.000 1.150 439 Y CA 1.664 59.755 58.100 -0.014 0.000 1.293 439 Y CB -0.899 37.548 38.460 -0.023 0.000 0.977 439 Y HN 0.494 nan 8.280 nan 0.000 0.556 440 T N -3.088 111.549 114.554 0.139 0.000 3.107 440 T HA 0.066 4.416 4.350 -0.000 0.000 0.249 440 T C 0.617 175.369 174.700 0.086 0.000 1.096 440 T CA -0.186 61.974 62.100 0.100 0.000 1.012 440 T CB -0.140 68.764 68.868 0.060 0.000 0.977 440 T HN 0.054 nan 8.240 nan 0.000 0.527 441 K N 2.283 122.734 120.400 0.086 0.000 2.184 441 K HA 0.458 4.778 4.320 -0.000 0.000 0.259 441 K C -1.173 175.483 176.600 0.093 0.000 1.119 441 K CA -0.264 56.067 56.287 0.073 0.000 0.991 441 K CB 1.032 33.564 32.500 0.054 0.000 1.522 441 K HN 0.175 nan 8.250 nan 0.000 0.405 442 V N 2.084 122.057 119.914 0.099 0.000 2.448 442 V HA 0.260 4.380 4.120 -0.000 0.000 0.295 442 V C 0.016 176.171 176.094 0.101 0.000 1.025 442 V CA -0.728 61.645 62.300 0.121 0.000 0.859 442 V CB 1.947 33.867 31.823 0.161 0.000 0.988 442 V HN 0.506 nan 8.190 nan 0.000 0.431 443 T N 3.520 118.113 114.554 0.065 0.000 2.786 443 T HA 0.225 4.575 4.350 -0.000 0.000 0.283 443 T C -0.333 174.329 174.700 -0.062 0.000 0.992 443 T CA -0.212 61.890 62.100 0.002 0.000 0.954 443 T CB 1.068 69.910 68.868 -0.043 0.000 0.934 443 T HN 0.845 nan 8.240 nan 0.000 0.440 444 C N 6.205 125.417 119.300 -0.147 0.000 2.464 444 C HA 0.376 4.836 4.460 -0.000 0.000 0.370 444 C C 1.699 176.387 174.990 -0.504 0.000 1.267 444 C CA -0.556 58.122 59.018 -0.566 0.000 1.781 444 C CB -1.930 25.402 27.740 -0.679 0.000 2.431 444 C HN 0.980 nan 8.230 nan 0.000 0.556 445 L N 4.843 125.733 121.223 -0.556 0.000 2.509 445 L HA 0.074 4.414 4.340 -0.000 0.000 0.222 445 L C 2.118 178.684 176.870 -0.507 0.000 1.123 445 L CA 1.087 55.672 54.840 -0.424 0.000 0.856 445 L CB -0.244 41.593 42.059 -0.369 0.000 0.985 445 L HN 0.929 nan 8.230 nan 0.000 0.456 446 S N -3.404 111.892 115.700 -0.674 0.000 2.728 446 S HA 0.000 4.470 4.470 -0.000 0.000 0.257 446 S C 1.687 175.890 174.600 -0.662 0.000 1.060 446 S CA -0.223 57.484 58.200 -0.822 0.000 1.126 446 S CB -0.247 62.175 63.200 -1.297 0.000 1.099 446 S HN 0.291 nan 8.310 nan 0.000 0.617 447 C N 2.574 121.481 119.300 -0.655 0.000 2.413 447 C HA 0.079 4.539 4.460 -0.000 0.000 0.276 447 C C 1.972 176.686 174.990 -0.460 0.000 1.248 447 C CA 0.762 59.327 59.018 -0.756 0.000 1.742 447 C CB -0.852 26.218 27.740 -1.117 0.000 2.017 447 C HN 0.597 nan 8.230 nan 0.000 0.481 448 E N 0.491 120.504 120.200 -0.312 0.000 2.437 448 E HA 0.206 4.556 4.350 -0.000 0.000 0.195 448 E C 1.497 178.041 176.600 -0.093 0.000 1.029 448 E CA -0.033 56.277 56.400 -0.150 0.000 0.948 448 E CB -0.042 29.596 29.700 -0.103 0.000 1.082 448 E HN 0.667 nan 8.360 nan 0.000 0.456 449 L N 0.240 121.405 121.223 -0.096 0.000 2.068 449 L HA 0.016 4.356 4.340 -0.000 0.000 0.204 449 L C 0.754 177.634 176.870 0.018 0.000 1.076 449 L CA 0.901 55.725 54.840 -0.027 0.000 0.753 449 L CB 0.060 42.115 42.059 -0.008 0.000 0.910 449 L HN 0.029 nan 8.230 nan 0.000 0.439 450 N N -0.988 117.739 118.700 0.046 0.000 2.732 450 N HA 0.131 4.871 4.740 -0.000 0.000 0.235 450 N C -2.234 173.298 175.510 0.038 0.000 1.466 450 N CA -0.560 52.512 53.050 0.038 0.000 0.751 450 N CB 1.492 40.003 38.487 0.040 0.000 1.317 450 N HN -0.098 nan 8.380 nan 0.000 0.525 451 P HA -0.063 nan 4.420 nan 0.000 0.220 451 P C 0.908 178.244 177.300 0.060 0.000 1.148 451 P CA 1.337 64.470 63.100 0.054 0.000 0.803 451 P CB 0.672 32.414 31.700 0.070 0.000 0.782 452 E N -1.058 119.164 120.200 0.037 0.000 2.140 452 E HA -0.003 4.347 4.350 -0.000 0.000 0.191 452 E C 2.247 178.853 176.600 0.010 0.000 0.973 452 E CA 0.471 56.888 56.400 0.029 0.000 0.829 452 E CB -0.222 29.489 29.700 0.020 0.000 0.781 452 E HN 0.060 nan 8.360 nan 0.000 0.466 453 R N -0.572 119.923 120.500 -0.009 0.000 2.100 453 R HA 0.117 4.457 4.340 -0.000 0.000 0.220 453 R C -0.261 175.995 176.300 -0.073 0.000 1.091 453 R CA 0.714 56.788 56.100 -0.043 0.000 0.986 453 R CB 0.280 30.546 30.300 -0.057 0.000 0.888 453 R HN 0.124 nan 8.270 nan 0.000 0.444 454 c N 0.711 119.271 118.600 -0.066 0.000 2.322 454 c HA 0.417 4.987 4.570 -0.000 0.000 0.324 454 c C -0.010 174.033 174.090 -0.078 0.000 1.249 454 c CA -0.659 55.562 56.329 -0.179 0.000 1.453 454 c CB 1.449 43.810 42.510 -0.247 0.000 2.145 454 c HN 0.537 nan 8.230 nan 0.000 0.466 455 Q N 0.444 120.190 119.800 -0.090 0.000 2.081 455 Q HA 0.173 4.513 4.340 -0.000 0.000 0.220 455 Q C -0.949 175.076 176.000 0.041 0.000 0.775 455 Q CA 0.079 55.901 55.803 0.032 0.000 0.983 455 Q CB 1.233 30.017 28.738 0.076 0.000 1.188 455 Q HN 0.801 nan 8.270 nan 0.000 0.458 456 Y N 0.518 120.683 120.300 -0.225 0.000 2.628 456 Y HA 0.338 4.888 4.550 0.000 0.000 0.354 456 Y C -1.580 174.183 175.900 -0.228 0.000 1.061 456 Y CA -1.041 56.965 58.100 -0.156 0.000 1.251 456 Y CB 0.362 38.748 38.460 -0.124 0.000 1.098 456 Y HN -0.061 nan 8.280 nan 0.000 0.626 457 Y N 1.738 121.960 120.300 -0.131 0.000 2.376 457 Y HA 0.566 5.116 4.550 0.000 0.000 0.325 457 Y C 0.762 176.597 175.900 -0.109 0.000 1.199 457 Y CA -0.062 57.971 58.100 -0.110 0.000 1.206 457 Y CB 1.682 40.037 38.460 -0.175 0.000 1.229 457 Y HN 0.487 nan 8.280 nan 0.000 0.480 458 S N 0.995 116.762 115.700 0.110 0.000 2.745 458 S HA 0.891 5.361 4.470 -0.000 0.000 0.306 458 S C -1.249 173.394 174.600 0.071 0.000 1.137 458 S CA -0.744 57.504 58.200 0.080 0.000 0.900 458 S CB 1.858 65.119 63.200 0.103 0.000 1.176 458 S HN 0.666 nan 8.310 nan 0.000 0.520 459 V N -0.260 119.699 119.914 0.075 0.000 3.204 459 V HA 0.842 4.962 4.120 -0.000 0.000 0.298 459 V C -1.622 174.548 176.094 0.127 0.000 1.328 459 V CA -0.045 62.278 62.300 0.038 0.000 1.035 459 V CB 2.122 33.871 31.823 -0.124 0.000 1.095 459 V HN 1.311 nan 8.190 nan 0.000 0.442 460 S N 4.013 119.791 115.700 0.130 0.000 2.721 460 S HA 0.640 5.110 4.470 -0.000 0.000 0.264 460 S C -1.128 173.681 174.600 0.349 0.000 1.161 460 S CA -0.416 57.976 58.200 0.320 0.000 1.113 460 S CB 0.271 63.708 63.200 0.396 0.000 1.079 460 S HN 0.550 nan 8.310 nan 0.000 0.479 461 F N 2.973 122.962 119.950 0.065 0.000 2.382 461 F HA 0.427 4.954 4.527 -0.000 0.000 0.331 461 F C 1.557 176.812 175.800 -0.908 0.000 1.121 461 F CA -0.392 57.451 58.000 -0.262 0.000 1.183 461 F CB 1.100 39.956 39.000 -0.239 0.000 1.207 461 F HN 0.605 nan 8.300 nan 0.000 0.555 462 S N 0.945 115.909 115.700 -1.228 0.000 2.617 462 S HA 0.238 4.708 4.470 -0.000 0.000 0.259 462 S C -0.338 174.086 174.600 -0.294 0.000 1.301 462 S CA -1.161 56.285 58.200 -1.256 0.000 0.984 462 S CB 0.322 62.972 63.200 -0.917 0.000 0.954 462 S HN 0.477 nan 8.310 nan 0.000 0.572 463 K N 1.385 121.753 120.400 -0.054 0.000 2.561 463 K HA -0.041 4.279 4.320 -0.000 0.000 0.280 463 K C 0.525 177.143 176.600 0.029 0.000 0.975 463 K CA 0.685 57.000 56.287 0.047 0.000 1.024 463 K CB -0.082 32.484 32.500 0.110 0.000 0.883 463 K HN 0.761 nan 8.250 nan 0.000 0.496 464 E N 0.376 120.601 120.200 0.042 0.000 3.680 464 E HA -0.359 3.991 4.350 -0.000 0.000 0.309 464 E C 0.214 176.832 176.600 0.029 0.000 0.793 464 E CA 0.666 57.093 56.400 0.046 0.000 1.083 464 E CB -1.236 28.501 29.700 0.062 0.000 1.548 464 E HN 0.906 nan 8.360 nan 0.000 0.456 465 A N -0.366 122.456 122.820 0.003 0.000 2.899 465 A HA -0.344 3.976 4.320 -0.000 0.000 0.257 465 A C 1.196 178.806 177.584 0.043 0.000 1.335 465 A CA 2.218 54.291 52.037 0.061 0.000 0.924 465 A CB -2.035 16.944 19.000 -0.035 0.000 1.105 465 A HN 0.368 nan 8.150 nan 0.000 0.765 466 K N -1.749 118.620 120.400 -0.053 0.000 2.362 466 K HA 0.075 4.395 4.320 -0.000 0.000 0.200 466 K C 0.078 176.355 176.600 -0.538 0.000 1.046 466 K CA 1.532 57.663 56.287 -0.260 0.000 0.952 466 K CB -0.087 32.254 32.500 -0.266 0.000 0.753 466 K HN 0.721 nan 8.250 nan 0.000 0.466 467 Y N -1.245 119.010 120.300 -0.075 0.000 2.597 467 Y HA 0.298 4.848 4.550 -0.000 0.000 0.340 467 Y C -1.217 174.579 175.900 -0.173 0.000 1.097 467 Y CA -1.435 56.593 58.100 -0.120 0.000 1.037 467 Y CB 1.801 40.235 38.460 -0.043 0.000 1.305 467 Y HN -0.037 nan 8.280 nan 0.000 0.463 468 Y N -0.917 119.385 120.300 0.002 0.000 2.482 468 Y HA 0.436 4.986 4.550 -0.000 0.000 0.334 468 Y C -1.346 174.585 175.900 0.051 0.000 1.091 468 Y CA -1.316 56.668 58.100 -0.193 0.000 1.027 468 Y CB 1.392 39.236 38.460 -1.027 0.000 1.306 468 Y HN 0.585 nan 8.280 nan 0.000 0.446 469 Q N 4.202 124.205 119.800 0.337 0.000 2.295 469 Q HA 0.454 4.794 4.340 -0.000 0.000 0.259 469 Q C -1.373 174.740 176.000 0.188 0.000 0.976 469 Q CA -0.462 55.472 55.803 0.218 0.000 0.923 469 Q CB 0.921 29.743 28.738 0.141 0.000 1.185 469 Q HN 0.902 nan 8.270 nan 0.000 0.410 470 L N 4.121 125.468 121.223 0.207 0.000 2.343 470 L HA 0.555 4.895 4.340 -0.000 0.000 0.275 470 L C -0.101 176.818 176.870 0.081 0.000 1.056 470 L CA -0.554 54.383 54.840 0.161 0.000 0.804 470 L CB 1.476 43.651 42.059 0.194 0.000 1.203 470 L HN 0.603 nan 8.230 nan 0.000 0.440 471 R N 2.710 123.212 120.500 0.004 0.000 2.507 471 R HA 0.374 4.714 4.340 -0.000 0.000 0.298 471 R C -1.073 175.037 176.300 -0.317 0.000 1.087 471 R CA -0.540 55.344 56.100 -0.360 0.000 0.917 471 R CB 1.287 31.394 30.300 -0.322 0.000 1.173 471 R HN 0.742 nan 8.270 nan 0.000 0.472 472 c N 2.637 120.950 118.600 -0.479 0.000 2.401 472 c HA 0.548 5.117 4.570 -0.000 0.000 0.365 472 c C 0.556 174.405 174.090 -0.401 0.000 1.250 472 c CA -0.263 55.684 56.329 -0.637 0.000 2.131 472 c CB 1.291 43.301 42.510 -0.833 0.000 2.445 472 c HN 0.953 nan 8.230 nan 0.000 0.550 473 S N 2.323 117.873 115.700 -0.251 0.000 2.650 473 S HA 0.591 5.061 4.470 -0.000 0.000 0.240 473 S C 0.337 174.877 174.600 -0.100 0.000 1.007 473 S CA 0.483 58.596 58.200 -0.145 0.000 0.984 473 S CB -0.069 63.064 63.200 -0.112 0.000 0.910 473 S HN 1.620 nan 8.310 nan 0.000 0.509 474 G N 1.537 110.265 108.800 -0.120 0.000 2.361 474 G HA2 0.157 4.117 3.960 -0.000 0.000 0.305 474 G HA3 0.157 4.117 3.960 -0.000 0.000 0.305 474 G C -3.181 171.691 174.900 -0.046 0.000 1.367 474 G CA -0.763 44.310 45.100 -0.045 0.000 0.951 474 G HN -0.119 nan 8.290 nan 0.000 0.615 475 P HA 0.169 nan 4.420 nan 0.000 0.236 475 P C 1.438 178.775 177.300 0.061 0.000 1.177 475 P CA 1.393 64.526 63.100 0.055 0.000 0.773 475 P CB 0.273 32.005 31.700 0.053 0.000 0.878 476 G N -0.220 108.542 108.800 -0.064 0.000 2.508 476 G HA2 0.332 4.292 3.960 -0.000 0.000 0.278 476 G HA3 0.332 4.292 3.960 -0.000 0.000 0.278 476 G C -0.390 174.252 174.900 -0.430 0.000 1.389 476 G CA -0.662 44.325 45.100 -0.188 0.000 1.050 476 G HN 0.007 nan 8.290 nan 0.000 0.522 477 L N 1.079 121.971 121.223 -0.551 0.000 2.485 477 L HA 0.131 4.471 4.340 -0.000 0.000 0.275 477 L C -1.845 174.841 176.870 -0.306 0.000 1.207 477 L CA -1.220 53.242 54.840 -0.629 0.000 0.855 477 L CB 0.436 42.241 42.059 -0.423 0.000 1.114 477 L HN 0.229 nan 8.230 nan 0.000 0.485 478 P HA 0.023 nan 4.420 nan 0.000 0.265 478 P C -0.816 176.463 177.300 -0.035 0.000 1.187 478 P CA 0.336 63.374 63.100 -0.103 0.000 0.766 478 P CB 0.512 32.264 31.700 0.088 0.000 0.820 479 L N 3.969 125.117 121.223 -0.124 0.000 2.438 479 L HA 0.442 4.782 4.340 -0.000 0.000 0.270 479 L C -1.461 175.372 176.870 -0.061 0.000 0.972 479 L CA -0.836 53.999 54.840 -0.007 0.000 0.831 479 L CB 1.163 43.183 42.059 -0.065 0.000 1.273 479 L HN 0.314 nan 8.230 nan 0.000 0.405 480 Y N 2.015 122.264 120.300 -0.085 0.000 2.335 480 Y HA 0.613 5.163 4.550 -0.000 0.000 0.338 480 Y C 0.511 176.305 175.900 -0.175 0.000 0.977 480 Y CA -0.849 57.188 58.100 -0.105 0.000 1.114 480 Y CB 2.148 40.520 38.460 -0.146 0.000 1.182 480 Y HN 0.505 nan 8.280 nan 0.000 0.463 481 T N 1.007 115.572 114.554 0.018 0.000 2.906 481 T HA 0.742 5.092 4.350 -0.000 0.000 0.295 481 T C -1.406 173.226 174.700 -0.114 0.000 1.075 481 T CA -0.858 61.176 62.100 -0.109 0.000 1.005 481 T CB 2.191 71.025 68.868 -0.057 0.000 1.136 481 T HN 0.395 nan 8.240 nan 0.000 0.498 482 L N 1.314 122.349 121.223 -0.313 0.000 2.362 482 L HA 0.783 5.123 4.340 -0.000 0.000 0.271 482 L C -1.337 175.273 176.870 -0.433 0.000 1.002 482 L CA -0.268 54.450 54.840 -0.203 0.000 0.818 482 L CB 1.601 43.568 42.059 -0.154 0.000 1.298 482 L HN 0.931 nan 8.230 nan 0.000 0.420 483 H N 0.565 119.434 119.070 -0.334 0.000 2.985 483 H HA 0.618 5.174 4.556 -0.000 0.000 0.360 483 H C -1.188 173.910 175.328 -0.384 0.000 1.221 483 H CA -0.690 55.066 56.048 -0.486 0.000 1.121 483 H CB 1.961 31.127 29.762 -0.994 0.000 1.854 483 H HN 0.490 nan 8.280 nan 0.000 0.551 484 S N 0.028 115.657 115.700 -0.118 0.000 2.451 484 S HA 0.256 4.726 4.470 -0.000 0.000 0.301 484 S C 0.526 175.041 174.600 -0.143 0.000 1.116 484 S CA -0.544 57.603 58.200 -0.088 0.000 1.093 484 S CB 0.953 64.142 63.200 -0.019 0.000 1.017 484 S HN 0.632 nan 8.310 nan 0.000 0.482 485 S N 3.318 118.923 115.700 -0.158 0.000 2.402 485 S HA -0.079 4.391 4.470 -0.000 0.000 0.229 485 S C 1.911 176.506 174.600 -0.007 0.000 1.021 485 S CA 1.217 59.424 58.200 0.012 0.000 0.974 485 S CB -0.284 62.940 63.200 0.040 0.000 0.800 485 S HN 0.680 nan 8.310 nan 0.000 0.484 486 V N 2.160 122.043 119.914 -0.053 0.000 2.295 486 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 486 V C 1.127 177.221 176.094 -0.000 0.000 1.049 486 V CA 1.799 64.094 62.300 -0.008 0.000 1.024 486 V CB -0.760 31.052 31.823 -0.018 0.000 0.648 486 V HN 0.477 nan 8.190 nan 0.000 0.447 487 N N -1.271 117.423 118.700 -0.010 0.000 2.204 487 N HA 0.138 4.878 4.740 -0.000 0.000 0.219 487 N C -0.442 175.066 175.510 -0.003 0.000 1.151 487 N CA -0.001 53.046 53.050 -0.004 0.000 0.867 487 N CB 0.463 38.951 38.487 0.001 0.000 1.043 487 N HN 0.261 nan 8.380 nan 0.000 0.516 488 D N 1.239 121.643 120.400 0.006 0.000 2.699 488 D HA -0.185 4.455 4.640 -0.000 0.000 0.239 488 D C -0.317 176.000 176.300 0.029 0.000 1.136 488 D CA 1.062 55.083 54.000 0.035 0.000 0.668 488 D CB -0.345 40.477 40.800 0.037 0.000 1.060 488 D HN 0.382 nan 8.370 nan 0.000 0.429 489 K N 0.178 120.587 120.400 0.014 0.000 2.118 489 K HA 0.474 4.794 4.320 -0.000 0.000 0.267 489 K C 0.628 177.237 176.600 0.016 0.000 0.991 489 K CA -0.258 56.039 56.287 0.016 0.000 0.916 489 K CB 1.126 33.621 32.500 -0.008 0.000 1.041 489 K HN 0.107 nan 8.250 nan 0.000 0.455 490 G N 3.044 111.834 108.800 -0.017 0.000 2.398 490 G HA2 0.180 4.140 3.960 -0.000 0.000 0.246 490 G HA3 0.180 4.140 3.960 -0.000 0.000 0.246 490 G C 0.682 175.454 174.900 -0.213 0.000 1.289 490 G CA -0.308 44.673 45.100 -0.199 0.000 0.869 490 G HN 0.634 nan 8.290 nan 0.000 0.543 491 L N 1.311 122.348 121.223 -0.310 0.000 2.269 491 L HA 0.390 4.730 4.340 -0.000 0.000 0.200 491 L C 1.467 178.244 176.870 -0.155 0.000 1.069 491 L CA 0.591 55.325 54.840 -0.175 0.000 0.804 491 L CB 0.099 42.077 42.059 -0.136 0.000 0.987 491 L HN 0.469 nan 8.230 nan 0.000 0.468 492 R N -2.135 118.239 120.500 -0.211 0.000 2.741 492 R HA 0.478 4.818 4.340 -0.000 0.000 0.274 492 R C -1.532 174.641 176.300 -0.211 0.000 1.029 492 R CA -0.730 55.270 56.100 -0.166 0.000 0.880 492 R CB 2.259 32.475 30.300 -0.140 0.000 1.264 492 R HN -0.325 nan 8.270 nan 0.000 0.465 493 V N 2.469 122.282 119.914 -0.169 0.000 2.539 493 V HA 0.288 4.408 4.120 -0.000 0.000 0.292 493 V C 0.660 176.618 176.094 -0.227 0.000 1.045 493 V CA -0.268 61.931 62.300 -0.170 0.000 0.945 493 V CB 1.562 33.319 31.823 -0.110 0.000 0.993 493 V HN 0.609 nan 8.190 nan 0.000 0.464 494 L N 1.893 122.927 121.223 -0.316 0.000 2.362 494 L HA 0.402 4.742 4.340 -0.000 0.000 0.204 494 L C 0.484 177.091 176.870 -0.438 0.000 1.060 494 L CA 0.468 54.958 54.840 -0.584 0.000 0.827 494 L CB 0.358 41.772 42.059 -1.076 0.000 1.027 494 L HN 0.647 nan 8.230 nan 0.000 0.474 495 E N 0.048 120.109 120.200 -0.232 0.000 2.311 495 E HA 0.137 4.487 4.350 -0.000 0.000 0.281 495 E C -1.236 175.370 176.600 0.010 0.000 0.905 495 E CA -0.375 55.966 56.400 -0.098 0.000 0.778 495 E CB 1.358 30.962 29.700 -0.159 0.000 1.240 495 E HN 0.209 nan 8.360 nan 0.000 0.410 496 D N 2.559 122.959 120.400 -0.001 0.000 2.469 496 D HA 0.181 4.821 4.640 -0.000 0.000 0.213 496 D C -0.236 176.062 176.300 -0.003 0.000 1.135 496 D CA -0.249 53.754 54.000 0.005 0.000 0.834 496 D CB 0.104 40.892 40.800 -0.020 0.000 1.009 496 D HN 0.401 nan 8.370 nan 0.000 0.507 497 N N 0.183 118.888 118.700 0.008 0.000 2.747 497 N HA -0.212 4.528 4.740 -0.000 0.000 0.249 497 N C 1.002 176.506 175.510 -0.010 0.000 1.107 497 N CA 0.929 53.981 53.050 0.002 0.000 0.707 497 N CB -1.478 37.001 38.487 -0.013 0.000 1.054 497 N HN 0.476 nan 8.380 nan 0.000 0.555 498 S N -0.937 114.760 115.700 -0.005 0.000 2.368 498 S HA -0.067 4.403 4.470 -0.000 0.000 0.225 498 S C 2.144 176.751 174.600 0.012 0.000 1.030 498 S CA 1.128 59.325 58.200 -0.004 0.000 0.999 498 S CB -0.272 62.927 63.200 -0.002 0.000 0.844 498 S HN 0.516 nan 8.310 nan 0.000 0.459 499 A N 2.297 125.132 122.820 0.024 0.000 1.892 499 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 499 A C 2.307 179.925 177.584 0.057 0.000 1.188 499 A CA 1.663 53.724 52.037 0.041 0.000 0.631 499 A CB -1.021 18.008 19.000 0.047 0.000 0.822 499 A HN 0.532 nan 8.150 nan 0.000 0.447 500 L N -0.735 120.523 121.223 0.058 0.000 2.141 500 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 500 L C 2.118 179.012 176.870 0.041 0.000 1.094 500 L CA 2.172 57.060 54.840 0.081 0.000 0.763 500 L CB -0.593 41.506 42.059 0.066 0.000 0.908 500 L HN 0.426 nan 8.230 nan 0.000 0.437 501 D N 0.084 120.488 120.400 0.006 0.000 2.117 501 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 501 D C 2.158 178.462 176.300 0.006 0.000 0.987 501 D CA 1.228 55.218 54.000 -0.016 0.000 0.829 501 D CB 0.259 41.043 40.800 -0.028 0.000 0.961 501 D HN 0.206 nan 8.370 nan 0.000 0.460 502 K N -0.387 120.028 120.400 0.025 0.000 1.984 502 K HA -0.064 4.256 4.320 -0.000 0.000 0.209 502 K C 2.409 179.040 176.600 0.052 0.000 1.046 502 K CA 0.735 57.043 56.287 0.034 0.000 0.934 502 K CB -0.241 32.282 32.500 0.037 0.000 0.717 502 K HN 0.201 nan 8.250 nan 0.000 0.438 503 M N 1.035 120.686 119.600 0.086 0.000 2.088 503 M HA -0.245 4.235 4.480 -0.000 0.000 0.256 503 M C 2.207 178.546 176.300 0.064 0.000 1.071 503 M CA 1.760 57.142 55.300 0.136 0.000 1.097 503 M CB -0.509 32.245 32.600 0.256 0.000 1.315 503 M HN 0.151 nan 8.290 nan 0.000 0.406 504 L N -0.584 120.638 121.223 -0.002 0.000 2.265 504 L HA -0.222 4.118 4.340 -0.000 0.000 0.215 504 L C 2.336 179.176 176.870 -0.049 0.000 1.117 504 L CA 0.996 55.779 54.840 -0.094 0.000 0.782 504 L CB -0.627 41.389 42.059 -0.072 0.000 0.914 504 L HN 0.435 nan 8.230 nan 0.000 0.441 505 Q N 0.010 119.804 119.800 -0.010 0.000 2.226 505 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 505 Q C 1.174 177.181 176.000 0.012 0.000 0.975 505 Q CA 1.093 56.897 55.803 0.002 0.000 0.866 505 Q CB -0.016 28.729 28.738 0.012 0.000 0.915 505 Q HN 0.486 nan 8.270 nan 0.000 0.440 506 N N 0.001 118.714 118.700 0.022 0.000 2.434 506 N HA 0.017 4.757 4.740 -0.000 0.000 0.196 506 N C -0.126 175.407 175.510 0.038 0.000 1.183 506 N CA 0.184 53.259 53.050 0.042 0.000 0.849 506 N CB 0.621 39.151 38.487 0.072 0.000 0.992 506 N HN 0.105 nan 8.380 nan 0.000 0.460 507 V N -1.540 118.372 119.914 -0.003 0.000 3.130 507 V HA 0.385 4.505 4.120 -0.000 0.000 0.310 507 V C -1.160 174.929 176.094 -0.008 0.000 1.158 507 V CA -0.982 61.321 62.300 0.005 0.000 1.029 507 V CB 2.327 34.129 31.823 -0.035 0.000 1.057 507 V HN -0.067 nan 8.190 nan 0.000 0.436 508 Q N 4.382 124.187 119.800 0.008 0.000 2.566 508 Q HA 0.422 4.762 4.340 -0.000 0.000 0.221 508 Q C -0.534 175.427 176.000 -0.065 0.000 1.195 508 Q CA -0.369 55.405 55.803 -0.048 0.000 0.967 508 Q CB 0.825 29.544 28.738 -0.032 0.000 1.337 508 Q HN 0.634 nan 8.270 nan 0.000 0.553 509 M N 2.994 122.541 119.600 -0.088 0.000 2.233 509 M HA 0.316 4.796 4.480 -0.000 0.000 0.350 509 M C -2.051 174.169 176.300 -0.133 0.000 1.176 509 M CA -2.479 52.758 55.300 -0.106 0.000 1.150 509 M CB -0.234 32.310 32.600 -0.093 0.000 1.530 509 M HN 0.254 nan 8.290 nan 0.000 0.459 510 P HA 0.195 nan 4.420 nan 0.000 0.274 510 P C -0.595 176.608 177.300 -0.161 0.000 1.260 510 P CA -0.380 62.617 63.100 -0.173 0.000 0.793 510 P CB 0.385 31.966 31.700 -0.199 0.000 1.048 511 S N -1.380 114.214 115.700 -0.178 0.000 2.638 511 S HA 0.575 5.045 4.470 -0.000 0.000 0.302 511 S C -0.751 173.750 174.600 -0.166 0.000 1.096 511 S CA -0.877 57.237 58.200 -0.143 0.000 0.953 511 S CB 1.718 64.842 63.200 -0.126 0.000 1.107 511 S HN 0.387 nan 8.310 nan 0.000 0.503 512 K N 1.095 121.428 120.400 -0.112 0.000 2.265 512 K HA 0.375 4.695 4.320 -0.000 0.000 0.267 512 K C -0.776 175.784 176.600 -0.066 0.000 0.994 512 K CA -0.528 55.703 56.287 -0.094 0.000 0.860 512 K CB 0.943 33.408 32.500 -0.059 0.000 1.099 512 K HN 0.701 nan 8.250 nan 0.000 0.448 513 K N 5.225 125.582 120.400 -0.071 0.000 2.138 513 K HA 0.370 4.690 4.320 -0.000 0.000 0.263 513 K C -1.401 175.223 176.600 0.039 0.000 0.965 513 K CA -0.761 55.514 56.287 -0.020 0.000 0.868 513 K CB 0.932 33.414 32.500 -0.030 0.000 1.083 513 K HN 0.519 nan 8.250 nan 0.000 0.443 514 L N 3.995 125.241 121.223 0.038 0.000 2.439 514 L HA 0.456 4.796 4.340 -0.000 0.000 0.270 514 L C -1.576 175.329 176.870 0.059 0.000 0.972 514 L CA -0.174 54.708 54.840 0.069 0.000 0.836 514 L CB 1.686 43.821 42.059 0.128 0.000 1.255 514 L HN 0.923 nan 8.230 nan 0.000 0.404 515 D N 3.007 123.327 120.400 -0.134 0.000 3.213 515 D HA 0.492 5.131 4.640 -0.000 0.000 0.357 515 D C -1.692 174.234 176.300 -0.624 0.000 1.446 515 D CA 0.140 53.928 54.000 -0.354 0.000 0.893 515 D CB 1.689 42.216 40.800 -0.454 0.000 1.466 515 D HN 0.258 nan 8.370 nan 0.000 0.541 516 F N -0.197 119.372 119.950 -0.635 0.000 2.662 516 F HA 0.735 5.262 4.527 -0.000 0.000 0.312 516 F C -0.994 174.793 175.800 -0.021 0.000 1.113 516 F CA -1.025 56.659 58.000 -0.526 0.000 0.951 516 F CB 0.794 39.025 39.000 -1.281 0.000 1.344 516 F HN 0.300 nan 8.300 nan 0.000 0.462 517 I N 0.451 121.316 120.570 0.492 0.000 3.108 517 I HA 0.655 4.825 4.170 -0.000 0.000 0.312 517 I C -1.223 175.126 176.117 0.386 0.000 1.095 517 I CA -1.307 60.236 61.300 0.405 0.000 1.000 517 I CB 2.280 40.481 38.000 0.336 0.000 1.229 517 I HN 0.408 nan 8.210 nan 0.000 0.454 518 I N 3.711 124.444 120.570 0.272 0.000 2.377 518 I HA 0.507 4.677 4.170 -0.000 0.000 0.293 518 I C -0.629 175.622 176.117 0.224 0.000 0.987 518 I CA -0.623 60.812 61.300 0.226 0.000 1.185 518 I CB 1.321 39.410 38.000 0.147 0.000 1.341 518 I HN 0.377 nan 8.210 nan 0.000 0.455 519 L N 6.137 127.549 121.223 0.314 0.000 2.385 519 L HA 0.465 4.805 4.340 -0.000 0.000 0.273 519 L C 0.342 177.344 176.870 0.221 0.000 0.990 519 L CA -0.348 54.637 54.840 0.240 0.000 0.821 519 L CB 1.124 43.333 42.059 0.249 0.000 1.279 519 L HN 0.434 nan 8.230 nan 0.000 0.412 520 N N 2.952 121.724 118.700 0.119 0.000 2.701 520 N HA -0.269 4.471 4.740 -0.000 0.000 0.252 520 N C 0.633 176.191 175.510 0.079 0.000 1.002 520 N CA 1.463 54.564 53.050 0.084 0.000 0.758 520 N CB -0.640 37.889 38.487 0.070 0.000 0.937 520 N HN 0.850 nan 8.380 nan 0.000 0.538 521 E N -4.491 115.753 120.200 0.072 0.000 4.233 521 E HA -0.185 4.165 4.350 -0.000 0.000 0.400 521 E C -0.647 175.958 176.600 0.008 0.000 0.563 521 E CA 1.321 57.744 56.400 0.038 0.000 1.422 521 E CB -0.939 28.774 29.700 0.021 0.000 1.876 521 E HN 0.438 nan 8.360 nan 0.000 0.364 522 T N 0.410 114.977 114.554 0.021 0.000 2.932 522 T HA 0.433 4.783 4.350 -0.000 0.000 0.289 522 T C -0.390 174.179 174.700 -0.219 0.000 1.039 522 T CA -0.686 61.321 62.100 -0.154 0.000 1.024 522 T CB 1.785 70.471 68.868 -0.303 0.000 1.090 522 T HN -0.035 nan 8.240 nan 0.000 0.496 523 K N 1.327 121.481 120.400 -0.409 0.000 2.276 523 K HA 0.469 4.789 4.320 -0.000 0.000 0.283 523 K C -1.270 174.995 176.600 -0.558 0.000 1.044 523 K CA -0.067 55.959 56.287 -0.435 0.000 0.944 523 K CB 0.473 32.601 32.500 -0.620 0.000 1.012 523 K HN 0.386 nan 8.250 nan 0.000 0.472 524 F N 1.846 121.823 119.950 0.045 0.000 2.557 524 F HA 0.281 4.808 4.527 0.000 0.000 0.316 524 F C -0.644 175.268 175.800 0.186 0.000 1.141 524 F CA -0.833 57.253 58.000 0.143 0.000 0.922 524 F CB 0.998 40.148 39.000 0.251 0.000 1.194 524 F HN 0.451 nan 8.300 nan 0.000 0.443 525 W N 3.716 125.199 121.300 0.304 0.000 2.251 525 W HA 0.493 5.153 4.660 -0.000 0.000 0.329 525 W C -0.513 176.215 176.519 0.348 0.000 1.234 525 W CA -0.443 57.064 57.345 0.270 0.000 1.228 525 W CB 0.461 30.013 29.460 0.154 0.000 1.135 525 W HN 0.465 nan 8.180 nan 0.000 0.576 526 Y N -0.446 120.223 120.300 0.615 0.000 2.615 526 Y HA 0.626 5.176 4.550 -0.000 0.000 0.341 526 Y C -0.780 175.381 175.900 0.435 0.000 1.089 526 Y CA -1.832 56.626 58.100 0.596 0.000 1.049 526 Y CB 1.067 40.031 38.460 0.840 0.000 1.296 526 Y HN 0.562 nan 8.280 nan 0.000 0.470 527 Q N 2.167 122.289 119.800 0.536 0.000 2.399 527 Q HA 0.735 5.075 4.340 -0.000 0.000 0.276 527 Q C -1.600 174.601 176.000 0.335 0.000 1.098 527 Q CA -1.194 54.806 55.803 0.329 0.000 0.827 527 Q CB 3.228 32.080 28.738 0.188 0.000 1.386 527 Q HN 0.873 nan 8.270 nan 0.000 0.443 528 M N 2.314 122.024 119.600 0.183 0.000 2.263 528 M HA 0.474 4.954 4.480 -0.000 0.000 0.295 528 M C -1.333 174.918 176.300 -0.082 0.000 1.028 528 M CA -0.576 54.732 55.300 0.014 0.000 0.921 528 M CB 2.274 34.844 32.600 -0.050 0.000 1.601 528 M HN 0.625 nan 8.290 nan 0.000 0.440 529 I N 4.936 125.439 120.570 -0.111 0.000 2.342 529 I HA 0.368 4.538 4.170 -0.000 0.000 0.291 529 I C -0.915 175.043 176.117 -0.265 0.000 1.010 529 I CA -0.524 60.675 61.300 -0.168 0.000 1.308 529 I CB 0.850 38.771 38.000 -0.131 0.000 1.400 529 I HN 0.544 nan 8.210 nan 0.000 0.488 530 L N 8.366 129.376 121.223 -0.355 0.000 2.341 530 L HA 0.491 4.831 4.340 -0.000 0.000 0.278 530 L C -2.362 174.282 176.870 -0.378 0.000 1.005 530 L CA -2.023 52.490 54.840 -0.545 0.000 0.818 530 L CB 1.656 43.181 42.059 -0.889 0.000 1.259 530 L HN 0.270 nan 8.230 nan 0.000 0.418 531 P HA 0.019 nan 4.420 nan 0.000 0.267 531 P C -2.449 174.797 177.300 -0.090 0.000 1.201 531 P CA -0.630 62.386 63.100 -0.140 0.000 0.775 531 P CB -0.226 31.456 31.700 -0.030 0.000 0.854 532 P HA 0.044 nan 4.420 nan 0.000 0.274 532 P C -0.317 176.936 177.300 -0.077 0.000 1.246 532 P CA 0.000 62.989 63.100 -0.186 0.000 0.795 532 P CB -0.032 31.477 31.700 -0.319 0.000 1.006 533 H N -3.092 116.019 119.070 0.069 0.000 2.731 533 H HA -0.238 4.318 4.556 -0.000 0.000 0.305 533 H C 0.271 175.671 175.328 0.120 0.000 1.132 533 H CA -0.252 55.841 56.048 0.075 0.000 1.148 533 H CB -2.127 27.671 29.762 0.059 0.000 1.379 533 H HN 0.292 nan 8.280 nan 0.000 0.398 534 F N 2.131 122.087 119.950 0.010 0.000 2.650 534 F HA 0.120 4.647 4.527 -0.000 0.000 0.355 534 F C 0.593 176.403 175.800 0.015 0.000 1.163 534 F CA 0.457 58.420 58.000 -0.062 0.000 1.374 534 F CB 0.558 39.426 39.000 -0.220 0.000 1.065 534 F HN 0.302 nan 8.300 nan 0.000 0.616 535 D N 4.244 124.230 120.400 -0.689 0.000 2.470 535 D HA 0.110 4.750 4.640 -0.000 0.000 0.233 535 D C -0.087 175.818 176.300 -0.658 0.000 1.372 535 D CA -0.560 53.115 54.000 -0.542 0.000 0.994 535 D CB 0.808 41.512 40.800 -0.159 0.000 1.377 535 D HN 0.611 nan 8.370 nan 0.000 0.586 536 K N 1.446 121.420 120.400 -0.709 0.000 2.633 536 K HA -0.056 4.264 4.320 -0.000 0.000 0.193 536 K C 0.710 177.291 176.600 -0.032 0.000 1.033 536 K CA 0.994 57.066 56.287 -0.357 0.000 0.980 536 K CB -0.138 32.273 32.500 -0.149 0.000 0.800 536 K HN 0.178 nan 8.250 nan 0.000 0.493 537 S N -0.465 115.191 115.700 -0.073 0.000 2.524 537 S HA 0.145 4.615 4.470 -0.000 0.000 0.215 537 S C 0.209 174.789 174.600 -0.034 0.000 0.986 537 S CA -0.571 57.614 58.200 -0.024 0.000 0.911 537 S CB 0.187 63.364 63.200 -0.038 0.000 0.805 537 S HN 0.209 nan 8.310 nan 0.000 0.501 538 K N 1.367 121.731 120.400 -0.060 0.000 2.087 538 K HA 0.444 4.764 4.320 -0.000 0.000 0.255 538 K C -0.679 175.861 176.600 -0.099 0.000 0.988 538 K CA -0.467 55.731 56.287 -0.149 0.000 0.915 538 K CB 0.906 33.222 32.500 -0.307 0.000 1.043 538 K HN 0.097 nan 8.250 nan 0.000 0.457 539 K N 2.540 122.825 120.400 -0.192 0.000 2.339 539 K HA 0.251 4.571 4.320 -0.000 0.000 0.264 539 K C -1.228 175.267 176.600 -0.175 0.000 0.986 539 K CA -0.544 55.705 56.287 -0.064 0.000 0.866 539 K CB 0.879 33.346 32.500 -0.055 0.000 1.103 539 K HN 0.374 nan 8.250 nan 0.000 0.441 540 Y N 2.902 123.246 120.300 0.073 0.000 2.387 540 Y HA 0.265 4.815 4.550 -0.000 0.000 0.330 540 Y C -1.919 173.948 175.900 -0.056 0.000 1.133 540 Y CA -2.715 55.406 58.100 0.036 0.000 1.152 540 Y CB 0.560 39.101 38.460 0.136 0.000 1.215 540 Y HN 0.470 nan 8.280 nan 0.000 0.466 541 P HA 0.125 nan 4.420 nan 0.000 0.271 541 P C -1.009 176.231 177.300 -0.100 0.000 1.218 541 P CA -0.135 62.772 63.100 -0.321 0.000 0.780 541 P CB 1.418 32.666 31.700 -0.754 0.000 0.901 542 L N 3.237 124.417 121.223 -0.072 0.000 2.341 542 L HA 0.457 4.797 4.340 -0.000 0.000 0.278 542 L C -0.502 176.545 176.870 0.295 0.000 1.005 542 L CA -0.988 53.913 54.840 0.101 0.000 0.818 542 L CB 1.256 43.362 42.059 0.078 0.000 1.259 542 L HN 0.271 nan 8.230 nan 0.000 0.418 543 L N 5.509 126.908 121.223 0.292 0.000 2.282 543 L HA 0.433 4.773 4.340 -0.000 0.000 0.288 543 L C -0.990 176.090 176.870 0.350 0.000 1.033 543 L CA -0.826 54.229 54.840 0.358 0.000 0.807 543 L CB 1.660 43.867 42.059 0.247 0.000 1.209 543 L HN 0.587 nan 8.230 nan 0.000 0.423 544 L N 5.353 126.834 121.223 0.430 0.000 2.265 544 L HA 0.357 4.697 4.340 -0.000 0.000 0.289 544 L C -0.453 176.650 176.870 0.388 0.000 1.033 544 L CA -0.045 55.035 54.840 0.400 0.000 0.814 544 L CB 1.067 43.402 42.059 0.460 0.000 1.203 544 L HN 0.483 nan 8.230 nan 0.000 0.423 545 D N 4.896 125.514 120.400 0.363 0.000 2.396 545 D HA 0.209 4.849 4.640 -0.000 0.000 0.225 545 D C -1.050 175.342 176.300 0.154 0.000 1.121 545 D CA -0.050 54.106 54.000 0.261 0.000 0.853 545 D CB 1.410 42.455 40.800 0.409 0.000 1.043 545 D HN 0.361 nan 8.370 nan 0.000 0.500 546 V N 5.427 125.363 119.914 0.036 0.000 2.513 546 V HA 0.410 4.530 4.120 -0.000 0.000 0.299 546 V C -0.802 175.384 176.094 0.153 0.000 1.035 546 V CA -0.422 61.954 62.300 0.128 0.000 0.889 546 V CB 1.598 33.487 31.823 0.111 0.000 0.988 546 V HN 0.606 nan 8.190 nan 0.000 0.440 547 Y N 5.818 126.187 120.300 0.116 0.000 2.624 547 Y HA 0.559 5.109 4.550 -0.000 0.000 0.260 547 Y C 1.746 177.791 175.900 0.243 0.000 1.090 547 Y CA 1.608 59.802 58.100 0.157 0.000 1.347 547 Y CB 0.093 38.631 38.460 0.130 0.000 1.349 547 Y HN 1.182 nan 8.280 nan 0.000 0.502 548 A N 0.421 123.389 122.820 0.247 0.000 3.021 548 A HA -0.158 4.162 4.320 -0.000 0.000 0.257 548 A C 1.065 178.605 177.584 -0.072 0.000 1.277 548 A CA 0.806 52.932 52.037 0.150 0.000 1.012 548 A CB -2.568 16.555 19.000 0.205 0.000 1.147 548 A HN 0.953 nan 8.150 nan 0.000 0.861 549 G N -0.602 107.956 108.800 -0.404 0.000 2.664 549 G HA2 0.437 4.397 3.960 -0.000 0.000 0.242 549 G HA3 0.437 4.397 3.960 -0.000 0.000 0.242 549 G C -2.101 172.600 174.900 -0.331 0.000 1.225 549 G CA -0.415 44.178 45.100 -0.845 0.000 0.849 549 G HN 0.330 nan 8.290 nan 0.000 0.581 550 P HA 0.074 nan 4.420 nan 0.000 0.263 550 P C 0.640 177.767 177.300 -0.288 0.000 1.195 550 P CA -0.006 62.838 63.100 -0.426 0.000 0.762 550 P CB 0.663 31.770 31.700 -0.989 0.000 0.799 551 C N 2.452 121.646 119.300 -0.177 0.000 4.358 551 C HA -0.151 4.309 4.460 -0.000 0.000 0.287 551 C C 0.941 175.937 174.990 0.010 0.000 1.414 551 C CA 1.256 60.143 59.018 -0.219 0.000 1.949 551 C CB -2.681 24.795 27.740 -0.441 0.000 1.274 551 C HN 0.758 nan 8.230 nan 0.000 0.793 552 S N -0.133 115.643 115.700 0.126 0.000 2.652 552 S HA 0.604 5.074 4.470 -0.000 0.000 0.270 552 S C -0.602 174.161 174.600 0.272 0.000 1.243 552 S CA -0.210 58.155 58.200 0.275 0.000 0.999 552 S CB 1.762 65.195 63.200 0.389 0.000 0.973 552 S HN 0.746 nan 8.310 nan 0.000 0.544 553 Q N -0.083 119.903 119.800 0.310 0.000 2.295 553 Q HA 0.349 4.689 4.340 -0.000 0.000 0.259 553 Q C -0.697 175.427 176.000 0.207 0.000 0.966 553 Q CA -0.608 55.364 55.803 0.282 0.000 0.763 553 Q CB 0.995 29.958 28.738 0.376 0.000 1.283 553 Q HN 0.599 nan 8.270 nan 0.000 0.445 554 K N 1.218 121.738 120.400 0.201 0.000 2.353 554 K HA 0.342 4.662 4.320 -0.000 0.000 0.195 554 K C -0.429 176.277 176.600 0.176 0.000 1.031 554 K CA 0.339 56.735 56.287 0.182 0.000 1.079 554 K CB 1.430 34.063 32.500 0.222 0.000 0.857 554 K HN 0.535 nan 8.250 nan 0.000 0.535 555 A N 2.561 125.494 122.820 0.189 0.000 2.273 555 A HA 0.498 4.818 4.320 -0.000 0.000 0.315 555 A C -0.829 176.830 177.584 0.125 0.000 1.256 555 A CA -0.533 51.619 52.037 0.193 0.000 0.851 555 A CB 0.470 19.645 19.000 0.291 0.000 1.172 555 A HN 0.242 nan 8.150 nan 0.000 0.508 556 D N -0.129 120.320 120.400 0.082 0.000 2.838 556 D HA 0.384 5.024 4.640 -0.000 0.000 0.334 556 D C 0.198 176.521 176.300 0.038 0.000 1.315 556 D CA 0.337 54.370 54.000 0.055 0.000 0.917 556 D CB 0.232 41.074 40.800 0.070 0.000 1.435 556 D HN 0.257 nan 8.370 nan 0.000 0.517 557 T N -2.180 112.417 114.554 0.072 0.000 3.223 557 T HA 0.378 4.728 4.350 -0.000 0.000 0.259 557 T C 0.567 175.255 174.700 -0.019 0.000 1.015 557 T CA -0.073 62.058 62.100 0.052 0.000 0.908 557 T CB -0.865 68.063 68.868 0.101 0.000 1.054 557 T HN 0.624 nan 8.240 nan 0.000 0.567 558 V N 0.257 120.074 119.914 -0.162 0.000 2.785 558 V HA 0.686 4.806 4.120 -0.000 0.000 0.300 558 V C -0.298 175.763 176.094 -0.054 0.000 1.062 558 V CA -1.421 60.765 62.300 -0.190 0.000 1.029 558 V CB 0.904 32.463 31.823 -0.440 0.000 1.024 558 V HN 0.382 nan 8.190 nan 0.000 0.477 559 F N 6.184 126.050 119.950 -0.141 0.000 2.444 559 F HA 0.635 5.162 4.527 -0.000 0.000 0.360 559 F C 0.480 176.228 175.800 -0.087 0.000 1.106 559 F CA -0.192 57.747 58.000 -0.101 0.000 1.170 559 F CB 0.233 39.181 39.000 -0.086 0.000 1.113 559 F HN 0.610 nan 8.300 nan 0.000 0.521 560 R N 6.519 126.653 120.500 -0.610 0.000 2.744 560 R HA 0.558 4.898 4.340 -0.000 0.000 0.279 560 R C -1.597 174.329 176.300 -0.623 0.000 0.977 560 R CA -1.154 54.689 56.100 -0.428 0.000 0.906 560 R CB 2.236 32.405 30.300 -0.219 0.000 1.197 560 R HN 0.638 nan 8.270 nan 0.000 0.463 561 L N 3.667 124.688 121.223 -0.336 0.000 2.295 561 L HA 0.441 4.781 4.340 -0.000 0.000 0.281 561 L C -0.148 176.682 176.870 -0.067 0.000 1.018 561 L CA -0.215 54.467 54.840 -0.263 0.000 0.841 561 L CB 0.633 42.669 42.059 -0.037 0.000 1.218 561 L HN 0.848 nan 8.230 nan 0.000 0.424 562 N N -0.149 118.433 118.700 -0.198 0.000 3.449 562 N HA 0.120 4.860 4.740 -0.000 0.000 0.312 562 N C 0.098 175.243 175.510 -0.609 0.000 1.582 562 N CA -0.908 51.935 53.050 -0.345 0.000 0.850 562 N CB 0.514 38.941 38.487 -0.101 0.000 1.822 562 N HN 0.306 nan 8.380 nan 0.000 0.577 563 W N 0.902 121.629 121.300 -0.956 0.000 2.321 563 W HA -0.038 4.622 4.660 -0.000 0.000 0.306 563 W C 2.334 178.792 176.519 -0.101 0.000 1.217 563 W CA 2.665 59.684 57.345 -0.544 0.000 1.257 563 W CB -0.924 28.460 29.460 -0.126 0.000 1.145 563 W HN 0.720 nan 8.180 nan 0.000 0.509 564 A N -0.792 122.023 122.820 -0.009 0.000 1.933 564 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 564 A C 1.964 179.450 177.584 -0.163 0.000 1.175 564 A CA 2.457 54.423 52.037 -0.119 0.000 0.628 564 A CB -1.296 17.697 19.000 -0.011 0.000 0.814 564 A HN 0.276 nan 8.150 nan 0.000 0.444 565 T N -1.129 113.326 114.554 -0.164 0.000 2.699 565 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 565 T C 1.783 176.484 174.700 0.001 0.000 1.036 565 T CA 1.884 63.852 62.100 -0.221 0.000 1.147 565 T CB -0.479 68.074 68.868 -0.526 0.000 0.862 565 T HN 0.704 nan 8.240 nan 0.000 0.446 566 Y N 1.840 122.185 120.300 0.076 0.000 2.163 566 Y HA 0.010 4.560 4.550 -0.000 0.000 0.288 566 Y C 1.956 177.828 175.900 -0.047 0.000 1.136 566 Y CA 0.842 59.038 58.100 0.160 0.000 1.147 566 Y CB -0.697 37.855 38.460 0.154 0.000 0.987 566 Y HN 0.109 nan 8.280 nan 0.000 0.509 567 L N 0.529 121.372 121.223 -0.632 0.000 1.990 567 L HA -0.271 4.069 4.340 -0.000 0.000 0.213 567 L C 2.885 179.495 176.870 -0.433 0.000 1.072 567 L CA 1.643 56.025 54.840 -0.764 0.000 0.755 567 L CB -1.138 40.524 42.059 -0.662 0.000 0.889 567 L HN 0.401 nan 8.230 nan 0.000 0.432 568 A N -1.267 121.388 122.820 -0.274 0.000 1.898 568 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 568 A C 2.526 180.034 177.584 -0.125 0.000 1.181 568 A CA 1.996 53.925 52.037 -0.180 0.000 0.620 568 A CB -0.635 18.255 19.000 -0.184 0.000 0.819 568 A HN 0.388 nan 8.150 nan 0.000 0.442 569 S N -1.552 114.093 115.700 -0.092 0.000 2.395 569 S HA -0.077 4.393 4.470 -0.000 0.000 0.225 569 S C 1.870 176.476 174.600 0.011 0.000 1.027 569 S CA 2.018 60.212 58.200 -0.010 0.000 0.965 569 S CB -0.276 62.978 63.200 0.091 0.000 0.812 569 S HN 0.567 nan 8.310 nan 0.000 0.482 570 T N 1.022 115.544 114.554 -0.053 0.000 3.046 570 T HA 0.210 4.560 4.350 -0.000 0.000 0.242 570 T C 1.097 175.748 174.700 -0.082 0.000 1.018 570 T CA 0.345 62.433 62.100 -0.020 0.000 1.131 570 T CB -0.001 68.924 68.868 0.096 0.000 0.904 570 T HN 0.297 nan 8.240 nan 0.000 0.459 571 E N 1.680 121.744 120.200 -0.226 0.000 2.476 571 E HA 0.185 4.535 4.350 -0.000 0.000 0.196 571 E C -0.056 176.521 176.600 -0.039 0.000 1.029 571 E CA -0.146 56.170 56.400 -0.139 0.000 0.896 571 E CB -0.113 29.450 29.700 -0.227 0.000 1.012 571 E HN 0.347 nan 8.360 nan 0.000 0.475 572 N N 0.997 119.691 118.700 -0.009 0.000 2.716 572 N HA -0.214 4.526 4.740 -0.000 0.000 0.250 572 N C -0.457 175.140 175.510 0.145 0.000 1.033 572 N CA 0.758 53.875 53.050 0.111 0.000 0.727 572 N CB -1.479 37.135 38.487 0.212 0.000 0.950 572 N HN 0.316 nan 8.380 nan 0.000 0.541 573 I N 0.788 121.369 120.570 0.019 0.000 2.412 573 I HA 0.356 4.526 4.170 -0.000 0.000 0.296 573 I C 0.945 177.044 176.117 -0.031 0.000 0.987 573 I CA -0.666 60.660 61.300 0.042 0.000 1.180 573 I CB 1.507 39.524 38.000 0.028 0.000 1.340 573 I HN -0.050 nan 8.210 nan 0.000 0.455 574 I N 6.197 126.761 120.570 -0.009 0.000 2.325 574 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 574 I C -0.478 175.615 176.117 -0.039 0.000 1.019 574 I CA -0.500 60.744 61.300 -0.094 0.000 1.302 574 I CB 1.256 39.209 38.000 -0.079 0.000 1.401 574 I HN 0.204 nan 8.210 nan 0.000 0.485 575 V N 7.259 127.137 119.914 -0.060 0.000 2.318 575 V HA 0.446 4.566 4.120 -0.000 0.000 0.271 575 V C 0.541 176.652 176.094 0.029 0.000 1.030 575 V CA -0.465 61.849 62.300 0.022 0.000 0.844 575 V CB 1.000 32.836 31.823 0.021 0.000 1.015 575 V HN 0.819 nan 8.190 nan 0.000 0.460 576 A N 4.350 127.194 122.820 0.040 0.000 2.293 576 A HA 0.879 5.199 4.320 -0.000 0.000 0.302 576 A C 0.151 177.872 177.584 0.229 0.000 1.119 576 A CA -0.337 51.717 52.037 0.028 0.000 0.823 576 A CB 1.047 19.876 19.000 -0.286 0.000 1.097 576 A HN 0.689 nan 8.150 nan 0.000 0.491 577 S N -0.279 115.610 115.700 0.315 0.000 2.569 577 S HA 0.764 5.234 4.470 -0.000 0.000 0.280 577 S C -1.345 173.599 174.600 0.573 0.000 1.111 577 S CA -0.311 58.124 58.200 0.392 0.000 0.887 577 S CB 1.368 64.747 63.200 0.299 0.000 1.095 577 S HN 0.802 nan 8.310 nan 0.000 0.476 578 F N 1.413 121.588 119.950 0.374 0.000 2.591 578 F HA 0.509 5.035 4.527 -0.000 0.000 0.309 578 F C -1.748 174.257 175.800 0.341 0.000 1.098 578 F CA -0.715 57.535 58.000 0.416 0.000 0.937 578 F CB 1.595 40.836 39.000 0.401 0.000 1.250 578 F HN 0.388 nan 8.300 nan 0.000 0.447 579 D N 4.042 124.082 120.400 -0.601 0.000 2.473 579 D HA 0.397 5.037 4.640 -0.000 0.000 0.226 579 D C 0.301 176.249 176.300 -0.586 0.000 1.089 579 D CA 0.142 53.938 54.000 -0.340 0.000 0.883 579 D CB 1.377 42.198 40.800 0.035 0.000 1.029 579 D HN 0.789 nan 8.370 nan 0.000 0.517 580 G N 1.236 109.797 108.800 -0.399 0.000 2.583 580 G HA2 0.340 4.300 3.960 -0.000 0.000 0.280 580 G HA3 0.340 4.300 3.960 -0.000 0.000 0.280 580 G C 0.343 175.241 174.900 -0.002 0.000 1.376 580 G CA -0.678 44.258 45.100 -0.274 0.000 1.043 580 G HN 0.287 nan 8.290 nan 0.000 0.538 581 R N -1.406 119.086 120.500 -0.013 0.000 2.873 581 R HA 0.287 4.627 4.340 -0.000 0.000 0.267 581 R C 1.665 178.043 176.300 0.130 0.000 1.009 581 R CA 1.565 57.742 56.100 0.129 0.000 1.152 581 R CB -0.027 30.323 30.300 0.083 0.000 1.047 581 R HN 1.107 nan 8.270 nan 0.000 0.470 582 G N 0.186 109.059 108.800 0.122 0.000 2.302 582 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.263 582 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.263 582 G C 0.167 175.089 174.900 0.037 0.000 0.995 582 G CA 0.700 45.851 45.100 0.085 0.000 0.622 582 G HN 0.776 nan 8.290 nan 0.000 0.538 583 S N 0.380 116.118 115.700 0.063 0.000 2.584 583 S HA 0.605 5.075 4.470 -0.000 0.000 0.270 583 S C 0.895 175.492 174.600 -0.005 0.000 1.346 583 S CA 0.359 58.594 58.200 0.058 0.000 1.018 583 S CB 1.709 64.971 63.200 0.103 0.000 0.899 583 S HN 1.627 nan 8.310 nan 0.000 0.542 584 G N -0.453 108.315 108.800 -0.054 0.000 2.522 584 G HA2 0.481 4.441 3.960 -0.000 0.000 0.304 584 G HA3 0.481 4.441 3.960 -0.000 0.000 0.304 584 G C -0.834 173.977 174.900 -0.149 0.000 1.210 584 G CA -0.896 44.014 45.100 -0.315 0.000 0.960 584 G HN 0.985 nan 8.290 nan 0.000 0.497 585 Y N -2.476 117.833 120.300 0.015 0.000 4.879 585 Y HA -0.210 4.340 4.550 -0.000 0.000 0.247 585 Y C 1.513 177.430 175.900 0.029 0.000 0.985 585 Y CA 1.033 59.149 58.100 0.027 0.000 2.000 585 Y CB -2.032 36.461 38.460 0.054 0.000 1.519 585 Y HN 0.573 nan 8.280 nan 0.000 0.613 586 Q N 0.048 119.886 119.800 0.065 0.000 2.118 586 Q HA 0.516 4.856 4.340 -0.000 0.000 0.219 586 Q C 1.022 176.927 176.000 -0.159 0.000 0.794 586 Q CA 0.256 56.101 55.803 0.069 0.000 1.035 586 Q CB 1.708 30.490 28.738 0.073 0.000 1.177 586 Q HN 0.556 nan 8.270 nan 0.000 0.478 587 G N 0.873 109.449 108.800 -0.373 0.000 2.663 587 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.686 587 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.686 587 G C -0.539 174.011 174.900 -0.582 0.000 1.288 587 G CA -0.478 44.152 45.100 -0.782 0.000 0.836 587 G HN 0.107 nan 8.290 nan 0.000 0.584 588 D N -0.197 119.831 120.400 -0.620 0.000 2.224 588 D HA -0.037 4.603 4.640 -0.000 0.000 0.205 588 D C 2.175 178.234 176.300 -0.402 0.000 0.965 588 D CA 1.199 54.818 54.000 -0.634 0.000 0.852 588 D CB 0.028 40.439 40.800 -0.648 0.000 0.947 588 D HN 0.562 nan 8.370 nan 0.000 0.494 589 K N 0.469 120.688 120.400 -0.302 0.000 2.147 589 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 589 K C 1.871 178.403 176.600 -0.114 0.000 1.049 589 K CA 0.762 56.950 56.287 -0.164 0.000 0.936 589 K CB 0.050 32.475 32.500 -0.125 0.000 0.722 589 K HN 0.135 nan 8.250 nan 0.000 0.446 590 I N 0.030 120.519 120.570 -0.134 0.000 2.731 590 I HA -0.133 4.037 4.170 -0.000 0.000 0.260 590 I C 2.452 178.550 176.117 -0.031 0.000 1.138 590 I CA 0.274 61.562 61.300 -0.019 0.000 1.461 590 I CB 0.024 38.036 38.000 0.021 0.000 1.128 590 I HN 0.217 nan 8.210 nan 0.000 0.438 591 M N 0.180 119.688 119.600 -0.154 0.000 2.099 591 M HA -0.219 4.261 4.480 -0.000 0.000 0.262 591 M C 1.760 178.021 176.300 -0.065 0.000 1.067 591 M CA 2.030 57.236 55.300 -0.157 0.000 1.124 591 M CB -0.258 32.147 32.600 -0.324 0.000 1.353 591 M HN 0.253 nan 8.290 nan 0.000 0.410 592 H N -0.746 118.227 119.070 -0.162 0.000 2.543 592 H HA 0.205 4.761 4.556 -0.000 0.000 0.269 592 H C 1.682 177.012 175.328 0.004 0.000 1.005 592 H CA 0.146 56.096 56.048 -0.163 0.000 1.146 592 H CB 0.155 29.733 29.762 -0.306 0.000 1.353 592 H HN 0.506 nan 8.280 nan 0.000 0.595 593 A N 0.609 123.508 122.820 0.133 0.000 2.172 593 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 593 A C 1.814 179.563 177.584 0.276 0.000 1.154 593 A CA 0.952 53.070 52.037 0.135 0.000 0.701 593 A CB -0.217 18.803 19.000 0.034 0.000 0.789 593 A HN 0.348 nan 8.150 nan 0.000 0.465 594 I N -0.422 120.307 120.570 0.267 0.000 3.883 594 I HA 0.075 4.245 4.170 -0.000 0.000 0.326 594 I C 0.524 176.748 176.117 0.179 0.000 1.283 594 I CA -0.286 61.159 61.300 0.241 0.000 1.161 594 I CB -0.281 37.830 38.000 0.184 0.000 1.012 594 I HN 0.244 nan 8.210 nan 0.000 0.421 595 N N 2.010 120.851 118.700 0.236 0.000 2.294 595 N HA -0.135 4.605 4.740 -0.000 0.000 0.263 595 N C 0.573 176.119 175.510 0.060 0.000 1.281 595 N CA 0.820 54.004 53.050 0.223 0.000 0.846 595 N CB 0.117 38.678 38.487 0.124 0.000 1.061 595 N HN 0.180 nan 8.380 nan 0.000 0.478 596 R N 0.537 121.047 120.500 0.017 0.000 4.000 596 R HA -0.248 4.092 4.340 -0.000 0.000 0.362 596 R C -0.520 175.584 176.300 -0.327 0.000 1.183 596 R CA 1.283 57.317 56.100 -0.110 0.000 1.011 596 R CB -1.273 28.987 30.300 -0.067 0.000 1.501 596 R HN 0.673 nan 8.270 nan 0.000 0.553 597 R N 0.558 120.872 120.500 -0.310 0.000 2.638 597 R HA 0.305 4.645 4.340 -0.000 0.000 0.261 597 R C -0.515 175.684 176.300 -0.170 0.000 1.515 597 R CA -0.417 55.325 56.100 -0.597 0.000 1.623 597 R CB 0.789 30.819 30.300 -0.450 0.000 1.347 597 R HN -0.018 nan 8.270 nan 0.000 0.705 598 L N 0.314 121.559 121.223 0.036 0.000 2.439 598 L HA 0.343 4.683 4.340 -0.000 0.000 0.269 598 L C 1.301 178.431 176.870 0.434 0.000 1.179 598 L CA 0.404 55.354 54.840 0.184 0.000 0.828 598 L CB 0.801 42.804 42.059 -0.093 0.000 1.106 598 L HN 0.777 nan 8.230 nan 0.000 0.467 599 G N 1.345 110.423 108.800 0.463 0.000 2.198 599 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.257 599 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.257 599 G C 0.238 175.233 174.900 0.158 0.000 1.042 599 G CA 0.463 45.782 45.100 0.365 0.000 0.791 599 G HN 0.730 nan 8.290 nan 0.000 0.502 600 T N -1.707 112.907 114.554 0.101 0.000 2.638 600 T HA 0.493 4.843 4.350 -0.000 0.000 0.169 600 T C 1.695 176.361 174.700 -0.057 0.000 0.790 600 T CA 0.779 62.822 62.100 -0.095 0.000 1.151 600 T CB 0.009 68.693 68.868 -0.306 0.000 2.581 600 T HN 0.054 nan 8.240 nan 0.000 0.391 601 F N 2.827 122.827 119.950 0.084 0.000 2.234 601 F HA 0.076 4.603 4.527 0.000 0.000 0.299 601 F C 2.599 178.440 175.800 0.069 0.000 1.087 601 F CA 1.031 59.068 58.000 0.061 0.000 1.340 601 F CB -0.500 38.533 39.000 0.054 0.000 1.031 601 F HN 0.430 nan 8.300 nan 0.000 0.500 602 E N 0.618 120.982 120.200 0.274 0.000 2.204 602 E HA -0.134 4.215 4.350 -0.000 0.000 0.195 602 E C 2.026 178.738 176.600 0.186 0.000 0.990 602 E CA 1.517 58.049 56.400 0.220 0.000 0.821 602 E CB -0.905 28.930 29.700 0.224 0.000 0.750 602 E HN 0.303 nan 8.360 nan 0.000 0.477 603 V N 1.580 121.579 119.914 0.141 0.000 2.446 603 V HA -0.158 3.962 4.120 -0.000 0.000 0.244 603 V C 2.250 178.391 176.094 0.077 0.000 1.039 603 V CA 1.843 64.186 62.300 0.072 0.000 1.045 603 V CB -0.433 31.387 31.823 -0.005 0.000 0.681 603 V HN 0.213 nan 8.190 nan 0.000 0.459 604 E N 0.281 120.539 120.200 0.097 0.000 2.077 604 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 604 E C 1.853 178.496 176.600 0.072 0.000 0.989 604 E CA 1.467 57.919 56.400 0.086 0.000 0.800 604 E CB -0.240 29.535 29.700 0.126 0.000 0.746 604 E HN 0.532 nan 8.360 nan 0.000 0.452 605 D N 0.670 121.134 120.400 0.107 0.000 2.182 605 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 605 D C 1.986 178.321 176.300 0.058 0.000 0.986 605 D CA 0.911 54.960 54.000 0.081 0.000 0.847 605 D CB -0.096 40.790 40.800 0.144 0.000 0.942 605 D HN 0.136 nan 8.370 nan 0.000 0.467 606 Q N -0.127 119.758 119.800 0.141 0.000 2.137 606 Q HA 0.021 4.361 4.340 -0.000 0.000 0.198 606 Q C 2.577 178.623 176.000 0.077 0.000 0.960 606 Q CA 0.302 56.197 55.803 0.154 0.000 0.847 606 Q CB 0.022 28.885 28.738 0.210 0.000 0.915 606 Q HN 0.406 nan 8.270 nan 0.000 0.448 607 I N 1.033 121.664 120.570 0.102 0.000 2.179 607 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 607 I C 2.433 178.510 176.117 -0.067 0.000 1.088 607 I CA 1.317 62.690 61.300 0.122 0.000 1.357 607 I CB -0.151 37.910 38.000 0.101 0.000 1.051 607 I HN 0.153 nan 8.210 nan 0.000 0.409 608 E N 1.398 121.518 120.200 -0.133 0.000 2.110 608 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 608 E C 2.036 178.372 176.600 -0.439 0.000 0.988 608 E CA 1.677 57.939 56.400 -0.230 0.000 0.804 608 E CB -0.174 29.414 29.700 -0.186 0.000 0.745 608 E HN 0.434 nan 8.360 nan 0.000 0.458 609 A N 0.614 123.032 122.820 -0.669 0.000 1.930 609 A HA 0.059 4.379 4.320 -0.000 0.000 0.217 609 A C 2.421 179.317 177.584 -1.146 0.000 1.175 609 A CA 1.774 53.121 52.037 -1.150 0.000 0.627 609 A CB -0.873 17.098 19.000 -1.715 0.000 0.815 609 A HN 0.382 nan 8.150 nan 0.000 0.443 610 A N -0.042 122.489 122.820 -0.482 0.000 1.877 610 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 610 A C 2.247 179.667 177.584 -0.273 0.000 1.186 610 A CA 1.455 53.386 52.037 -0.176 0.000 0.620 610 A CB -0.511 18.438 19.000 -0.086 0.000 0.822 610 A HN 0.515 nan 8.150 nan 0.000 0.443 611 R N -0.636 119.677 120.500 -0.311 0.000 2.096 611 R HA -0.197 4.143 4.340 -0.000 0.000 0.240 611 R C 2.493 178.633 176.300 -0.266 0.000 1.139 611 R CA 1.900 57.847 56.100 -0.256 0.000 0.952 611 R CB -0.445 29.723 30.300 -0.219 0.000 0.854 611 R HN 0.685 nan 8.270 nan 0.000 0.436 612 Q N -0.577 118.988 119.800 -0.392 0.000 2.124 612 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 612 Q C 1.974 177.796 176.000 -0.296 0.000 0.977 612 Q CA 1.315 56.897 55.803 -0.369 0.000 0.850 612 Q CB -0.078 28.391 28.738 -0.449 0.000 0.901 612 Q HN 0.261 nan 8.270 nan 0.000 0.429 613 F N 0.381 120.180 119.950 -0.251 0.000 2.171 613 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 613 F C 2.551 178.191 175.800 -0.266 0.000 1.090 613 F CA 0.728 58.565 58.000 -0.272 0.000 1.293 613 F CB -0.815 38.050 39.000 -0.225 0.000 1.013 613 F HN -0.073 nan 8.300 nan 0.000 0.486 614 S N -0.387 115.281 115.700 -0.054 0.000 2.400 614 S HA -0.154 4.316 4.470 -0.000 0.000 0.232 614 S C 1.624 176.143 174.600 -0.135 0.000 1.025 614 S CA 0.974 59.108 58.200 -0.110 0.000 0.993 614 S CB -0.302 62.819 63.200 -0.132 0.000 0.808 614 S HN 0.312 nan 8.310 nan 0.000 0.478 615 K N 0.546 120.864 120.400 -0.137 0.000 2.589 615 K HA 0.189 4.509 4.320 -0.000 0.000 0.204 615 K C -0.214 176.296 176.600 -0.150 0.000 1.029 615 K CA 0.202 56.413 56.287 -0.126 0.000 1.177 615 K CB -0.171 32.263 32.500 -0.110 0.000 0.902 615 K HN 0.399 nan 8.250 nan 0.000 0.501 616 M N -0.728 118.731 119.600 -0.235 0.000 2.423 616 M HA 0.185 4.665 4.480 -0.000 0.000 0.335 616 M C 1.146 177.215 176.300 -0.384 0.000 1.177 616 M CA -0.296 54.760 55.300 -0.408 0.000 1.038 616 M CB 1.751 33.890 32.600 -0.768 0.000 1.641 616 M HN 0.073 nan 8.290 nan 0.000 0.455 617 G N 1.359 110.003 108.800 -0.260 0.000 3.210 617 G HA2 0.122 4.082 3.960 -0.000 0.000 0.220 617 G HA3 0.122 4.082 3.960 -0.000 0.000 0.220 617 G C 0.282 175.201 174.900 0.032 0.000 1.200 617 G CA 0.034 45.086 45.100 -0.079 0.000 0.834 617 G HN 0.755 nan 8.290 nan 0.000 0.524 618 F N -0.985 119.016 119.950 0.085 0.000 2.781 618 F HA 0.480 5.007 4.527 -0.000 0.000 0.322 618 F C -0.196 175.735 175.800 0.218 0.000 1.108 618 F CA -1.493 56.599 58.000 0.154 0.000 1.179 618 F CB 0.012 39.133 39.000 0.202 0.000 1.072 618 F HN 0.006 nan 8.300 nan 0.000 0.545 619 V N 1.206 121.117 119.914 -0.004 0.000 2.487 619 V HA 0.557 4.677 4.120 -0.000 0.000 0.298 619 V C -0.902 175.174 176.094 -0.030 0.000 1.028 619 V CA -0.638 61.690 62.300 0.048 0.000 0.860 619 V CB 1.489 33.288 31.823 -0.039 0.000 0.991 619 V HN 0.282 nan 8.190 nan 0.000 0.427 620 D N 4.218 124.597 120.400 -0.035 0.000 2.277 620 D HA 0.163 4.803 4.640 -0.000 0.000 0.249 620 D C 0.825 177.067 176.300 -0.096 0.000 1.134 620 D CA 0.047 54.001 54.000 -0.077 0.000 0.863 620 D CB 1.159 41.903 40.800 -0.093 0.000 1.143 620 D HN 0.836 nan 8.370 nan 0.000 0.458 621 N N 2.273 120.919 118.700 -0.090 0.000 2.461 621 N HA -0.061 4.679 4.740 -0.000 0.000 0.188 621 N C 0.704 176.162 175.510 -0.085 0.000 1.134 621 N CA -0.220 52.772 53.050 -0.097 0.000 0.878 621 N CB 0.216 38.644 38.487 -0.099 0.000 0.972 621 N HN 0.316 nan 8.380 nan 0.000 0.456 622 K N 0.566 120.918 120.400 -0.080 0.000 2.314 622 K HA 0.123 4.443 4.320 -0.000 0.000 0.198 622 K C 0.470 177.037 176.600 -0.055 0.000 1.045 622 K CA 0.427 56.681 56.287 -0.055 0.000 0.988 622 K CB 0.348 32.818 32.500 -0.050 0.000 0.783 622 K HN 0.170 nan 8.250 nan 0.000 0.484 623 R N 1.349 121.760 120.500 -0.148 0.000 2.983 623 R HA 0.341 4.681 4.340 -0.000 0.000 0.300 623 R C -0.814 175.322 176.300 -0.273 0.000 1.367 623 R CA -0.126 55.795 56.100 -0.297 0.000 1.564 623 R CB 0.433 30.304 30.300 -0.715 0.000 1.314 623 R HN 0.008 nan 8.270 nan 0.000 0.622 624 I N 1.427 122.021 120.570 0.039 0.000 2.330 624 I HA 0.436 4.606 4.170 -0.000 0.000 0.289 624 I C 0.154 176.572 176.117 0.502 0.000 1.001 624 I CA -0.545 60.875 61.300 0.199 0.000 1.193 624 I CB 1.599 39.595 38.000 -0.006 0.000 1.345 624 I HN 0.294 nan 8.210 nan 0.000 0.461 625 A N 7.622 130.858 122.820 0.693 0.000 2.386 625 A HA 0.893 5.213 4.320 -0.000 0.000 0.308 625 A C -0.988 176.925 177.584 0.548 0.000 1.128 625 A CA -0.642 51.763 52.037 0.613 0.000 0.789 625 A CB 2.047 21.279 19.000 0.386 0.000 1.325 625 A HN 0.733 nan 8.150 nan 0.000 0.437 626 I N 1.097 121.871 120.570 0.341 0.000 2.656 626 I HA 0.688 4.858 4.170 -0.000 0.000 0.292 626 I C -1.694 174.627 176.117 0.340 0.000 1.144 626 I CA -0.672 60.761 61.300 0.222 0.000 1.038 626 I CB 1.558 39.379 38.000 -0.298 0.000 1.244 626 I HN 0.940 nan 8.210 nan 0.000 0.420 627 W N 7.106 128.496 121.300 0.150 0.000 3.032 627 W HA 0.907 5.567 4.660 -0.000 0.000 0.341 627 W C -1.396 175.239 176.519 0.193 0.000 1.202 627 W CA -1.422 56.022 57.345 0.166 0.000 1.132 627 W CB 1.015 30.619 29.460 0.239 0.000 1.465 627 W HN 0.814 nan 8.180 nan 0.000 0.576 628 G N 0.213 108.786 108.800 -0.379 0.000 2.556 628 G HA2 0.357 4.317 3.960 -0.000 0.000 0.294 628 G HA3 0.357 4.317 3.960 -0.000 0.000 0.294 628 G C -2.624 172.147 174.900 -0.215 0.000 1.516 628 G CA -0.841 43.936 45.100 -0.537 0.000 0.824 628 G HN 0.611 nan 8.290 nan 0.000 0.535 629 W N 1.581 122.707 121.300 -0.291 0.000 2.570 629 W HA 0.595 5.255 4.660 -0.000 0.000 0.337 629 W C 0.953 177.489 176.519 0.027 0.000 1.067 629 W CA 0.776 58.057 57.345 -0.105 0.000 1.229 629 W CB 1.873 31.283 29.460 -0.083 0.000 1.355 629 W HN 1.143 nan 8.180 nan 0.000 0.555 630 S N 2.071 117.942 115.700 0.286 0.000 4.064 630 S HA -0.426 4.044 4.470 -0.000 0.000 0.625 630 S C 1.109 175.802 174.600 0.156 0.000 2.010 630 S CA 1.640 60.039 58.200 0.331 0.000 4.186 630 S CB -1.821 61.735 63.200 0.593 0.000 0.211 630 S HN 0.698 nan 8.310 nan 0.000 0.605 631 Y N 2.211 122.518 120.300 0.011 0.000 2.193 631 Y HA -0.011 4.539 4.550 -0.000 0.000 0.285 631 Y C 2.355 178.164 175.900 -0.152 0.000 1.166 631 Y CA 2.677 60.686 58.100 -0.151 0.000 1.181 631 Y CB -1.050 37.162 38.460 -0.413 0.000 0.976 631 Y HN 0.539 nan 8.280 nan 0.000 0.520 632 G N -1.124 107.668 108.800 -0.012 0.000 2.509 632 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 632 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 632 G C 1.799 176.694 174.900 -0.009 0.000 1.124 632 G CA 0.687 45.800 45.100 0.022 0.000 0.776 632 G HN 0.590 nan 8.290 nan 0.000 0.547 633 G N -0.336 108.464 108.800 0.000 0.000 2.453 633 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.215 633 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.215 633 G C 1.521 176.399 174.900 -0.036 0.000 1.147 633 G CA 0.810 45.896 45.100 -0.024 0.000 0.802 633 G HN 0.389 nan 8.290 nan 0.000 0.535 634 Y N 1.445 121.608 120.300 -0.228 0.000 2.181 634 Y HA -0.094 4.456 4.550 -0.000 0.000 0.288 634 Y C 2.600 178.363 175.900 -0.227 0.000 1.146 634 Y CA 1.421 59.331 58.100 -0.317 0.000 1.164 634 Y CB -0.332 37.764 38.460 -0.606 0.000 0.982 634 Y HN 0.024 nan 8.280 nan 0.000 0.515 635 V N -0.502 119.206 119.914 -0.344 0.000 2.548 635 V HA -0.249 3.871 4.120 -0.000 0.000 0.249 635 V C 2.244 178.193 176.094 -0.242 0.000 1.055 635 V CA 2.296 64.403 62.300 -0.322 0.000 1.065 635 V CB -0.875 30.930 31.823 -0.031 0.000 0.681 635 V HN 0.469 nan 8.190 nan 0.000 0.462 636 T N -0.818 113.646 114.554 -0.149 0.000 2.867 636 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 636 T C 2.150 176.794 174.700 -0.094 0.000 1.057 636 T CA 1.755 63.792 62.100 -0.104 0.000 1.136 636 T CB -0.105 68.760 68.868 -0.005 0.000 0.874 636 T HN 0.438 nan 8.240 nan 0.000 0.466 637 S N 0.604 116.262 115.700 -0.070 0.000 2.377 637 S HA 0.058 4.528 4.470 -0.000 0.000 0.223 637 S C 2.122 176.642 174.600 -0.133 0.000 1.030 637 S CA 0.649 58.861 58.200 0.019 0.000 0.970 637 S CB -0.156 63.086 63.200 0.068 0.000 0.830 637 S HN 0.303 nan 8.310 nan 0.000 0.473 638 M N 0.977 120.392 119.600 -0.309 0.000 2.067 638 M HA -0.055 4.425 4.480 -0.000 0.000 0.260 638 M C 2.228 178.364 176.300 -0.273 0.000 1.069 638 M CA 1.216 56.319 55.300 -0.330 0.000 1.117 638 M CB -1.592 30.701 32.600 -0.512 0.000 1.334 638 M HN 0.156 nan 8.290 nan 0.000 0.407 639 V N 1.074 120.834 119.914 -0.257 0.000 2.252 639 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 639 V C 2.616 178.538 176.094 -0.288 0.000 1.056 639 V CA 1.733 63.900 62.300 -0.222 0.000 1.022 639 V CB -0.822 30.836 31.823 -0.276 0.000 0.641 639 V HN 0.446 nan 8.190 nan 0.000 0.445 640 L N 0.233 121.215 121.223 -0.402 0.000 2.263 640 L HA -0.154 4.186 4.340 -0.000 0.000 0.216 640 L C 2.057 178.372 176.870 -0.925 0.000 1.111 640 L CA 1.556 56.049 54.840 -0.579 0.000 0.773 640 L CB -0.735 40.945 42.059 -0.632 0.000 0.906 640 L HN 0.538 nan 8.230 nan 0.000 0.439 641 G N -1.838 106.450 108.800 -0.853 0.000 3.393 641 G HA2 0.027 3.987 3.960 -0.000 0.000 0.255 641 G HA3 0.027 3.987 3.960 -0.000 0.000 0.255 641 G C 1.338 176.055 174.900 -0.305 0.000 1.097 641 G CA 0.521 45.190 45.100 -0.718 0.000 0.780 641 G HN 0.411 nan 8.290 nan 0.000 0.540 642 S N -0.921 114.635 115.700 -0.239 0.000 2.501 642 S HA 0.324 4.794 4.470 -0.000 0.000 0.220 642 S C 1.984 176.532 174.600 -0.087 0.000 0.997 642 S CA 1.038 59.164 58.200 -0.123 0.000 0.919 642 S CB 0.068 63.222 63.200 -0.076 0.000 0.778 642 S HN 1.329 nan 8.310 nan 0.000 0.523 643 G N 1.513 110.252 108.800 -0.102 0.000 2.176 643 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.253 643 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.253 643 G C 1.157 176.039 174.900 -0.029 0.000 0.979 643 G CA 1.035 46.099 45.100 -0.061 0.000 0.641 643 G HN 1.244 nan 8.290 nan 0.000 0.530 644 S N -0.006 115.687 115.700 -0.011 0.000 2.381 644 S HA 0.128 4.598 4.470 -0.000 0.000 0.230 644 S C 2.803 177.393 174.600 -0.016 0.000 1.052 644 S CA 2.426 60.626 58.200 -0.001 0.000 1.068 644 S CB -0.657 62.569 63.200 0.043 0.000 0.918 644 S HN 2.577 nan 8.310 nan 0.000 0.448 645 G N -0.740 108.060 108.800 -0.001 0.000 2.176 645 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.253 645 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.253 645 G C 0.703 175.570 174.900 -0.055 0.000 0.979 645 G CA 0.371 45.462 45.100 -0.015 0.000 0.641 645 G HN 0.832 nan 8.290 nan 0.000 0.530 646 V N -0.410 119.441 119.914 -0.105 0.000 2.719 646 V HA 0.289 4.409 4.120 -0.000 0.000 0.252 646 V C 1.120 176.930 176.094 -0.473 0.000 1.065 646 V CA 1.409 63.492 62.300 -0.362 0.000 1.086 646 V CB -0.359 31.119 31.823 -0.575 0.000 0.700 646 V HN 0.319 nan 8.190 nan 0.000 0.467 647 F N -0.393 119.573 119.950 0.027 0.000 2.450 647 F HA 0.418 4.945 4.527 -0.000 0.000 0.332 647 F C 1.042 176.893 175.800 0.085 0.000 1.093 647 F CA -0.664 57.381 58.000 0.075 0.000 1.003 647 F CB 1.607 40.659 39.000 0.086 0.000 1.151 647 F HN -0.287 nan 8.300 nan 0.000 0.474 648 K N 1.178 121.760 120.400 0.303 0.000 2.128 648 K HA 0.158 4.478 4.320 -0.000 0.000 0.202 648 K C -0.194 176.555 176.600 0.248 0.000 1.050 648 K CA 0.894 57.317 56.287 0.227 0.000 0.966 648 K CB 0.292 32.931 32.500 0.233 0.000 0.759 648 K HN 0.798 nan 8.250 nan 0.000 0.454 649 c N -2.638 116.150 118.600 0.313 0.000 3.321 649 c HA 0.894 5.464 4.570 -0.000 0.000 0.329 649 c C -0.135 174.172 174.090 0.361 0.000 1.394 649 c CA -0.609 55.916 56.329 0.327 0.000 1.291 649 c CB 1.048 43.721 42.510 0.272 0.000 1.606 649 c HN 0.380 nan 8.230 nan 0.000 0.463 650 G N -0.237 108.815 108.800 0.419 0.000 2.649 650 G HA2 0.773 4.733 3.960 -0.000 0.000 0.290 650 G HA3 0.773 4.733 3.960 -0.000 0.000 0.290 650 G C -2.069 173.019 174.900 0.313 0.000 1.426 650 G CA -0.767 44.550 45.100 0.360 0.000 0.794 650 G HN 1.007 nan 8.290 nan 0.000 0.483 651 I N 0.446 121.162 120.570 0.245 0.000 2.499 651 I HA 0.619 4.789 4.170 -0.000 0.000 0.288 651 I C 0.005 176.202 176.117 0.134 0.000 1.048 651 I CA -0.946 60.382 61.300 0.048 0.000 1.062 651 I CB 2.285 40.310 38.000 0.042 0.000 1.238 651 I HN 0.670 nan 8.210 nan 0.000 0.426 652 A N 6.255 129.061 122.820 -0.023 0.000 2.318 652 A HA 0.827 5.147 4.320 -0.000 0.000 0.317 652 A C -0.915 176.564 177.584 -0.176 0.000 1.159 652 A CA -0.528 51.499 52.037 -0.017 0.000 0.799 652 A CB 1.363 20.417 19.000 0.090 0.000 1.194 652 A HN 0.425 nan 8.150 nan 0.000 0.479 653 V N 1.895 121.642 119.914 -0.278 0.000 2.448 653 V HA 0.598 4.718 4.120 -0.000 0.000 0.295 653 V C 0.839 176.555 176.094 -0.631 0.000 1.025 653 V CA 0.272 62.220 62.300 -0.588 0.000 0.859 653 V CB 0.903 32.069 31.823 -1.095 0.000 0.988 653 V HN 2.186 nan 8.190 nan 0.000 0.431 654 A N 5.562 128.010 122.820 -0.620 0.000 2.415 654 A HA -0.097 4.223 4.320 -0.000 0.000 0.292 654 A C -1.947 175.486 177.584 -0.252 0.000 1.452 654 A CA 0.410 51.995 52.037 -0.754 0.000 0.750 654 A CB -1.500 17.141 19.000 -0.599 0.000 1.099 654 A HN 0.596 nan 8.150 nan 0.000 0.391 655 P HA 0.473 nan 4.420 nan 0.000 0.284 655 P C 0.225 177.491 177.300 -0.057 0.000 1.258 655 P CA -0.317 62.759 63.100 -0.039 0.000 0.824 655 P CB 1.400 33.093 31.700 -0.011 0.000 1.038 656 V N 2.154 121.925 119.914 -0.239 0.000 2.811 656 V HA 0.085 4.205 4.120 -0.000 0.000 0.302 656 V C 1.672 177.575 176.094 -0.318 0.000 1.063 656 V CA 1.021 63.035 62.300 -0.477 0.000 1.088 656 V CB 0.680 31.773 31.823 -1.216 0.000 0.982 656 V HN 0.847 nan 8.190 nan 0.000 0.485 657 S N 2.778 118.301 115.700 -0.296 0.000 2.628 657 S HA 0.327 4.797 4.470 -0.000 0.000 0.246 657 S C 0.469 174.885 174.600 -0.307 0.000 1.062 657 S CA -0.411 57.687 58.200 -0.170 0.000 1.028 657 S CB 0.355 63.516 63.200 -0.065 0.000 0.985 657 S HN 0.688 nan 8.310 nan 0.000 0.551 658 R N -0.534 119.658 120.500 -0.514 0.000 2.658 658 R HA 0.268 4.608 4.340 -0.000 0.000 0.287 658 R C -1.057 174.956 176.300 -0.478 0.000 1.209 658 R CA -0.557 55.214 56.100 -0.548 0.000 1.046 658 R CB 0.275 30.051 30.300 -0.874 0.000 1.247 658 R HN 0.271 nan 8.270 nan 0.000 0.405 659 W N 2.178 123.392 121.300 -0.144 0.000 2.364 659 W HA -0.146 4.514 4.660 0.000 0.000 0.281 659 W C 1.332 177.978 176.519 0.212 0.000 1.219 659 W CA 0.940 58.299 57.345 0.022 0.000 1.220 659 W CB 0.284 29.696 29.460 -0.080 0.000 1.127 659 W HN 0.670 nan 8.180 nan 0.000 0.556 660 E N -0.954 119.427 120.200 0.301 0.000 2.331 660 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 660 E C 1.337 178.095 176.600 0.264 0.000 1.008 660 E CA 0.891 57.411 56.400 0.199 0.000 0.843 660 E CB -0.285 29.422 29.700 0.011 0.000 0.761 660 E HN 0.395 nan 8.360 nan 0.000 0.507 661 Y N -1.500 118.892 120.300 0.154 0.000 2.517 661 Y HA 0.055 4.605 4.550 0.000 0.000 0.281 661 Y C 0.760 176.749 175.900 0.147 0.000 1.125 661 Y CA -0.298 57.856 58.100 0.091 0.000 1.283 661 Y CB -0.451 38.008 38.460 -0.003 0.000 1.042 661 Y HN 0.018 nan 8.280 nan 0.000 0.547 662 Y N 1.929 122.386 120.300 0.261 0.000 2.392 662 Y HA 0.304 4.854 4.550 -0.000 0.000 0.323 662 Y C 0.272 176.394 175.900 0.371 0.000 1.291 662 Y CA -2.146 56.109 58.100 0.258 0.000 1.345 662 Y CB 0.387 39.036 38.460 0.316 0.000 1.320 662 Y HN 0.181 nan 8.280 nan 0.000 0.518 663 D N -0.491 119.633 120.400 -0.460 0.000 2.362 663 D HA 0.107 4.747 4.640 -0.000 0.000 0.242 663 D C 0.997 177.284 176.300 -0.022 0.000 1.132 663 D CA 0.340 54.202 54.000 -0.229 0.000 0.907 663 D CB 0.925 41.362 40.800 -0.606 0.000 1.195 663 D HN 0.496 nan 8.370 nan 0.000 0.429 664 S N 1.142 116.844 115.700 0.004 0.000 2.359 664 S HA -0.254 4.216 4.470 -0.000 0.000 0.223 664 S C 1.963 176.586 174.600 0.039 0.000 1.039 664 S CA 1.323 59.565 58.200 0.068 0.000 1.042 664 S CB -1.111 62.134 63.200 0.074 0.000 0.915 664 S HN 0.433 nan 8.310 nan 0.000 0.439 665 V N 0.751 120.629 119.914 -0.060 0.000 2.332 665 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 665 V C 2.345 178.349 176.094 -0.150 0.000 1.055 665 V CA 2.309 64.487 62.300 -0.204 0.000 1.038 665 V CB -1.038 30.512 31.823 -0.455 0.000 0.651 665 V HN 0.680 nan 8.190 nan 0.000 0.450 666 Y N 0.728 120.955 120.300 -0.122 0.000 2.347 666 Y HA -0.081 4.469 4.550 0.000 0.000 0.294 666 Y C 2.517 178.382 175.900 -0.057 0.000 1.117 666 Y CA 1.783 59.860 58.100 -0.039 0.000 1.184 666 Y CB -0.289 38.332 38.460 0.267 0.000 1.047 666 Y HN 0.205 nan 8.280 nan 0.000 0.546 667 T N 0.318 115.039 114.554 0.278 0.000 2.698 667 T HA -0.129 4.221 4.350 -0.000 0.000 0.260 667 T C 1.510 176.170 174.700 -0.067 0.000 1.044 667 T CA 1.770 63.998 62.100 0.213 0.000 1.149 667 T CB -0.216 68.918 68.868 0.443 0.000 0.864 667 T HN 0.369 nan 8.240 nan 0.000 0.419 668 E N 0.817 121.017 120.200 -0.000 0.000 2.204 668 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 668 E C 2.265 178.740 176.600 -0.208 0.000 0.990 668 E CA 0.545 56.937 56.400 -0.013 0.000 0.821 668 E CB -0.127 29.612 29.700 0.065 0.000 0.750 668 E HN 0.283 nan 8.360 nan 0.000 0.477 669 R N -0.001 120.220 120.500 -0.465 0.000 2.117 669 R HA -0.199 4.141 4.340 -0.000 0.000 0.243 669 R C 1.081 176.858 176.300 -0.873 0.000 1.143 669 R CA 1.607 57.245 56.100 -0.769 0.000 0.968 669 R CB 0.008 29.532 30.300 -1.293 0.000 0.863 669 R HN 0.262 nan 8.270 nan 0.000 0.444 670 Y N -2.839 117.174 120.300 -0.478 0.000 2.483 670 Y HA 0.251 4.801 4.550 -0.000 0.000 0.258 670 Y C 1.509 177.225 175.900 -0.306 0.000 1.083 670 Y CA -0.151 57.670 58.100 -0.465 0.000 1.283 670 Y CB 0.497 38.559 38.460 -0.664 0.000 1.178 670 Y HN -0.044 nan 8.280 nan 0.000 0.515 671 M N -0.345 119.140 119.600 -0.191 0.000 2.308 671 M HA 0.375 4.855 4.480 -0.000 0.000 0.269 671 M C 1.178 177.483 176.300 0.008 0.000 1.040 671 M CA 0.717 55.890 55.300 -0.211 0.000 1.024 671 M CB -0.364 31.896 32.600 -0.565 0.000 1.465 671 M HN 0.356 nan 8.290 nan 0.000 0.517 672 G N 1.895 110.715 108.800 0.034 0.000 2.569 672 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.259 672 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.259 672 G C -0.410 174.618 174.900 0.213 0.000 1.263 672 G CA -0.545 44.616 45.100 0.102 0.000 0.928 672 G HN 0.368 nan 8.290 nan 0.000 0.572 673 L N 2.203 123.530 121.223 0.174 0.000 2.322 673 L HA 0.473 4.813 4.340 -0.000 0.000 0.279 673 L C -1.623 175.279 176.870 0.053 0.000 1.036 673 L CA -1.893 53.016 54.840 0.116 0.000 0.807 673 L CB 2.270 44.353 42.059 0.040 0.000 1.226 673 L HN 0.449 nan 8.230 nan 0.000 0.433 674 P HA 0.092 nan 4.420 nan 0.000 0.225 674 P C -0.790 176.366 177.300 -0.240 0.000 1.813 674 P CA -0.085 62.636 63.100 -0.630 0.000 1.013 674 P CB -0.278 30.756 31.700 -1.110 0.000 1.961 675 T N -1.438 113.063 114.554 -0.088 0.000 2.906 675 T HA 0.472 4.822 4.350 -0.000 0.000 0.295 675 T C -2.445 172.254 174.700 -0.003 0.000 1.075 675 T CA -2.381 59.692 62.100 -0.044 0.000 1.005 675 T CB 1.781 70.633 68.868 -0.026 0.000 1.136 675 T HN -0.266 nan 8.240 nan 0.000 0.498 676 P HA -0.044 nan 4.420 nan 0.000 0.217 676 P C 0.923 178.236 177.300 0.023 0.000 1.150 676 P CA 1.036 64.146 63.100 0.018 0.000 0.832 676 P CB -0.012 31.694 31.700 0.010 0.000 0.787 677 E N -1.319 118.890 120.200 0.015 0.000 2.418 677 E HA -0.101 4.249 4.350 -0.000 0.000 0.197 677 E C 1.137 177.753 176.600 0.026 0.000 1.026 677 E CA 0.640 57.050 56.400 0.017 0.000 0.862 677 E CB -0.200 29.505 29.700 0.008 0.000 0.799 677 E HN 0.306 nan 8.360 nan 0.000 0.518 678 D N -0.065 120.357 120.400 0.037 0.000 3.112 678 D HA 0.071 4.711 4.640 -0.000 0.000 0.212 678 D C 0.247 176.602 176.300 0.092 0.000 1.376 678 D CA -0.028 54.006 54.000 0.057 0.000 1.411 678 D CB 0.033 40.867 40.800 0.057 0.000 0.965 678 D HN -0.047 nan 8.370 nan 0.000 0.192 679 N N 0.619 119.408 118.700 0.149 0.000 2.291 679 N HA 0.121 4.861 4.740 -0.000 0.000 0.244 679 N C 1.411 177.131 175.510 0.349 0.000 1.216 679 N CA -0.119 53.069 53.050 0.229 0.000 0.879 679 N CB 0.800 39.432 38.487 0.243 0.000 1.167 679 N HN 0.119 nan 8.380 nan 0.000 0.515 680 L N 0.732 122.075 121.223 0.199 0.000 2.021 680 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 680 L C 1.351 178.344 176.870 0.206 0.000 1.074 680 L CA 1.854 56.785 54.840 0.153 0.000 0.760 680 L CB -0.343 41.738 42.059 0.037 0.000 0.889 680 L HN 0.286 nan 8.230 nan 0.000 0.433 681 D N -1.251 119.243 120.400 0.156 0.000 2.133 681 D HA -0.289 4.351 4.640 -0.000 0.000 0.192 681 D C 2.011 178.400 176.300 0.149 0.000 1.001 681 D CA 1.587 55.664 54.000 0.128 0.000 0.844 681 D CB -0.364 40.499 40.800 0.106 0.000 0.944 681 D HN 0.511 nan 8.370 nan 0.000 0.447 682 H N -0.830 118.309 119.070 0.116 0.000 2.470 682 H HA -0.073 4.483 4.556 0.000 0.000 0.289 682 H C 1.810 177.199 175.328 0.101 0.000 1.033 682 H CA 0.715 56.806 56.048 0.072 0.000 1.331 682 H CB -0.027 29.743 29.762 0.013 0.000 1.414 682 H HN 0.214 nan 8.280 nan 0.000 0.545 683 Y N 1.002 121.320 120.300 0.031 0.000 2.181 683 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 683 Y C 2.756 178.635 175.900 -0.036 0.000 1.146 683 Y CA 1.563 59.684 58.100 0.035 0.000 1.164 683 Y CB 0.078 38.580 38.460 0.069 0.000 0.982 683 Y HN 0.093 nan 8.280 nan 0.000 0.515 684 R N -0.023 120.562 120.500 0.141 0.000 2.115 684 R HA -0.059 4.281 4.340 -0.000 0.000 0.226 684 R C 1.489 177.780 176.300 -0.015 0.000 1.100 684 R CA 1.130 57.258 56.100 0.046 0.000 0.980 684 R CB -0.240 30.084 30.300 0.042 0.000 0.875 684 R HN 0.248 nan 8.270 nan 0.000 0.445 685 N N -0.763 117.899 118.700 -0.064 0.000 2.422 685 N HA -0.036 4.704 4.740 -0.000 0.000 0.181 685 N C 0.136 175.559 175.510 -0.144 0.000 1.080 685 N CA 0.875 53.871 53.050 -0.091 0.000 0.893 685 N CB 0.437 38.884 38.487 -0.066 0.000 0.973 685 N HN 0.138 nan 8.380 nan 0.000 0.456 686 S N -0.874 114.701 115.700 -0.209 0.000 2.526 686 S HA 0.158 4.628 4.470 -0.000 0.000 0.245 686 S C 0.467 175.102 174.600 0.057 0.000 1.103 686 S CA -0.776 57.358 58.200 -0.110 0.000 1.095 686 S CB -0.521 62.528 63.200 -0.252 0.000 0.826 686 S HN 0.180 nan 8.310 nan 0.000 0.468 687 T N -2.140 112.412 114.554 -0.002 0.000 2.927 687 T HA 0.536 4.886 4.350 -0.000 0.000 0.281 687 T C 1.269 175.972 174.700 0.005 0.000 0.998 687 T CA -0.658 61.433 62.100 -0.014 0.000 1.019 687 T CB 1.264 70.088 68.868 -0.075 0.000 1.061 687 T HN -0.034 nan 8.240 nan 0.000 0.518 688 V N 1.230 121.143 119.914 -0.002 0.000 2.453 688 V HA -0.101 4.019 4.120 -0.000 0.000 0.247 688 V C 2.652 178.724 176.094 -0.037 0.000 1.048 688 V CA 1.549 63.839 62.300 -0.018 0.000 1.049 688 V CB -0.941 30.857 31.823 -0.041 0.000 0.672 688 V HN 0.815 nan 8.190 nan 0.000 0.457 689 M N 1.144 120.703 119.600 -0.069 0.000 2.195 689 M HA -0.178 4.302 4.480 -0.000 0.000 0.260 689 M C 2.282 178.558 176.300 -0.041 0.000 1.066 689 M CA 2.181 57.435 55.300 -0.077 0.000 1.089 689 M CB -0.968 31.594 32.600 -0.064 0.000 1.377 689 M HN 0.530 nan 8.290 nan 0.000 0.411 690 S N -0.556 115.130 115.700 -0.024 0.000 2.474 690 S HA -0.053 4.417 4.470 -0.000 0.000 0.235 690 S C 1.759 176.362 174.600 0.006 0.000 0.997 690 S CA 0.675 58.868 58.200 -0.012 0.000 0.949 690 S CB -0.402 62.789 63.200 -0.016 0.000 0.766 690 S HN 0.542 nan 8.310 nan 0.000 0.517 691 R N 0.474 120.992 120.500 0.031 0.000 2.397 691 R HA 0.455 4.795 4.340 -0.000 0.000 0.241 691 R C 2.191 178.585 176.300 0.156 0.000 0.914 691 R CA 0.428 56.564 56.100 0.061 0.000 1.071 691 R CB -0.226 30.096 30.300 0.037 0.000 1.116 691 R HN 0.434 nan 8.270 nan 0.000 0.524 692 A N 2.156 125.039 122.820 0.106 0.000 1.940 692 A HA -0.261 4.059 4.320 -0.000 0.000 0.221 692 A C 1.779 179.449 177.584 0.144 0.000 1.190 692 A CA 1.633 53.720 52.037 0.084 0.000 0.647 692 A CB -0.246 18.719 19.000 -0.059 0.000 0.821 692 A HN 0.280 nan 8.150 nan 0.000 0.457 693 E N -0.119 120.133 120.200 0.085 0.000 2.209 693 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 693 E C 1.134 177.781 176.600 0.078 0.000 0.993 693 E CA 1.021 57.463 56.400 0.070 0.000 0.819 693 E CB -0.382 29.341 29.700 0.040 0.000 0.745 693 E HN 0.644 nan 8.360 nan 0.000 0.477 694 N N 0.054 118.797 118.700 0.071 0.000 2.463 694 N HA -0.015 4.725 4.740 -0.000 0.000 0.181 694 N C 1.193 176.690 175.510 -0.022 0.000 1.078 694 N CA 0.253 53.297 53.050 -0.010 0.000 0.902 694 N CB -0.095 38.334 38.487 -0.096 0.000 0.970 694 N HN 0.128 nan 8.380 nan 0.000 0.451 695 F N 2.204 122.109 119.950 -0.076 0.000 2.546 695 F HA -0.046 4.481 4.527 0.000 0.000 0.298 695 F C 2.091 177.894 175.800 0.004 0.000 1.120 695 F CA 0.656 58.602 58.000 -0.090 0.000 1.456 695 F CB 0.026 38.910 39.000 -0.193 0.000 1.088 695 F HN 0.105 nan 8.300 nan 0.000 0.572 696 K N 0.052 120.554 120.400 0.170 0.000 2.209 696 K HA -0.191 4.129 4.320 -0.000 0.000 0.204 696 K C 1.354 178.016 176.600 0.103 0.000 1.048 696 K CA 1.331 57.700 56.287 0.136 0.000 0.940 696 K CB -0.600 31.960 32.500 0.101 0.000 0.729 696 K HN 0.355 nan 8.250 nan 0.000 0.451 697 Q N 1.374 121.213 119.800 0.065 0.000 2.472 697 Q HA 0.019 4.359 4.340 -0.000 0.000 0.208 697 Q C 0.605 176.648 176.000 0.071 0.000 0.958 697 Q CA 0.545 56.377 55.803 0.049 0.000 0.932 697 Q CB 0.145 28.890 28.738 0.011 0.000 1.007 697 Q HN 0.360 nan 8.270 nan 0.000 0.508 698 V N -3.184 116.792 119.914 0.103 0.000 3.130 698 V HA 0.457 4.577 4.120 -0.000 0.000 0.310 698 V C -1.064 175.173 176.094 0.239 0.000 1.158 698 V CA -1.325 61.061 62.300 0.145 0.000 1.029 698 V CB 2.287 34.157 31.823 0.078 0.000 1.057 698 V HN -0.061 nan 8.190 nan 0.000 0.436 699 E N 1.439 121.805 120.200 0.278 0.000 2.115 699 E HA 0.451 4.801 4.350 -0.000 0.000 0.282 699 E C -1.909 175.029 176.600 0.563 0.000 0.987 699 E CA -0.375 56.241 56.400 0.359 0.000 0.797 699 E CB 1.712 31.548 29.700 0.226 0.000 1.086 699 E HN 0.686 nan 8.360 nan 0.000 0.397 700 Y N 3.699 124.247 120.300 0.415 0.000 2.350 700 Y HA 0.402 4.952 4.550 -0.000 0.000 0.338 700 Y C -1.622 174.403 175.900 0.209 0.000 0.961 700 Y CA -1.448 56.852 58.100 0.334 0.000 1.100 700 Y CB 0.984 39.665 38.460 0.368 0.000 1.179 700 Y HN 0.410 nan 8.280 nan 0.000 0.454 701 L N 7.854 128.855 121.223 -0.370 0.000 2.305 701 L HA 0.616 4.956 4.340 -0.000 0.000 0.284 701 L C -2.062 174.388 176.870 -0.699 0.000 1.013 701 L CA -0.827 53.656 54.840 -0.594 0.000 0.819 701 L CB 1.277 42.653 42.059 -1.139 0.000 1.227 701 L HN 0.650 nan 8.230 nan 0.000 0.417 702 L N 6.849 127.753 121.223 -0.531 0.000 2.298 702 L HA 0.687 5.027 4.340 -0.000 0.000 0.284 702 L C -1.145 175.623 176.870 -0.170 0.000 1.013 702 L CA -0.038 54.533 54.840 -0.447 0.000 0.824 702 L CB 1.072 42.896 42.059 -0.391 0.000 1.221 702 L HN 0.599 nan 8.230 nan 0.000 0.418 703 I N 4.470 124.947 120.570 -0.156 0.000 2.509 703 I HA 0.513 4.683 4.170 -0.000 0.000 0.293 703 I C -0.988 175.122 176.117 -0.011 0.000 1.020 703 I CA -0.659 60.611 61.300 -0.050 0.000 1.088 703 I CB 1.923 39.850 38.000 -0.120 0.000 1.267 703 I HN 0.661 nan 8.210 nan 0.000 0.430 704 H N 2.219 121.354 119.070 0.109 0.000 3.087 704 H HA 0.490 5.046 4.556 -0.000 0.000 0.348 704 H C -0.349 175.217 175.328 0.397 0.000 1.092 704 H CA -0.563 55.596 56.048 0.184 0.000 1.285 704 H CB 1.833 31.659 29.762 0.106 0.000 1.875 704 H HN 0.784 nan 8.280 nan 0.000 0.512 705 G N 0.999 110.113 108.800 0.524 0.000 2.444 705 G HA2 0.221 4.181 3.960 -0.000 0.000 0.268 705 G HA3 0.221 4.181 3.960 -0.000 0.000 0.268 705 G C 1.063 176.240 174.900 0.461 0.000 1.203 705 G CA 0.103 45.487 45.100 0.474 0.000 0.835 705 G HN 0.740 nan 8.290 nan 0.000 0.543 706 T N -1.020 113.665 114.554 0.218 0.000 3.055 706 T HA 0.128 4.478 4.350 -0.000 0.000 0.265 706 T C 1.715 176.416 174.700 0.001 0.000 1.111 706 T CA 1.102 63.162 62.100 -0.067 0.000 1.118 706 T CB 0.232 68.999 68.868 -0.168 0.000 0.909 706 T HN 0.655 nan 8.240 nan 0.000 0.501 707 A N 1.216 124.109 122.820 0.122 0.000 2.507 707 A HA 0.276 4.596 4.320 -0.000 0.000 0.270 707 A C 0.556 178.115 177.584 -0.042 0.000 1.318 707 A CA -0.489 51.597 52.037 0.081 0.000 0.924 707 A CB -0.340 18.952 19.000 0.487 0.000 1.061 707 A HN 0.345 nan 8.150 nan 0.000 0.516 708 D N 1.881 122.307 120.400 0.044 0.000 2.356 708 D HA -0.060 4.580 4.640 -0.000 0.000 0.272 708 D C 0.315 176.615 176.300 0.000 0.000 1.337 708 D CA 0.342 54.444 54.000 0.169 0.000 0.970 708 D CB 0.462 41.505 40.800 0.405 0.000 1.092 708 D HN 0.587 nan 8.370 nan 0.000 0.516 709 D N 2.149 122.594 120.400 0.076 0.000 2.349 709 D HA -0.133 4.507 4.640 -0.000 0.000 0.224 709 D C 0.855 177.240 176.300 0.141 0.000 1.029 709 D CA -0.063 53.972 54.000 0.059 0.000 0.879 709 D CB 0.447 41.244 40.800 -0.005 0.000 0.906 709 D HN 0.233 nan 8.370 nan 0.000 0.528 710 N N 0.612 119.426 118.700 0.190 0.000 2.652 710 N HA -0.041 4.699 4.740 -0.000 0.000 0.226 710 N C -0.175 175.312 175.510 -0.039 0.000 1.023 710 N CA 0.384 53.581 53.050 0.245 0.000 1.126 710 N CB 0.519 39.157 38.487 0.252 0.000 1.476 710 N HN -0.119 nan 8.380 nan 0.000 0.537 711 V N 3.363 123.203 119.914 -0.122 0.000 2.320 711 V HA 0.238 4.358 4.120 -0.000 0.000 0.265 711 V C -0.400 175.721 176.094 0.044 0.000 1.048 711 V CA -0.463 61.802 62.300 -0.057 0.000 0.865 711 V CB -0.467 31.337 31.823 -0.030 0.000 1.043 711 V HN 0.295 nan 8.190 nan 0.000 0.474 712 H N 3.083 122.158 119.070 0.007 0.000 2.852 712 H HA 0.007 4.563 4.556 -0.000 0.000 0.362 712 H C 0.781 175.992 175.328 -0.194 0.000 1.122 712 H CA -0.042 55.945 56.048 -0.102 0.000 1.419 712 H CB 0.726 30.331 29.762 -0.261 0.000 1.401 712 H HN 0.600 nan 8.280 nan 0.000 0.609 713 F N 1.752 121.548 119.950 -0.257 0.000 2.154 713 F HA -0.286 4.241 4.527 0.000 0.000 0.301 713 F C 2.611 178.122 175.800 -0.481 0.000 1.087 713 F CA 1.832 59.468 58.000 -0.606 0.000 1.274 713 F CB -0.228 38.602 39.000 -0.284 0.000 1.009 713 F HN 0.682 nan 8.300 nan 0.000 0.485 714 Q N 0.129 119.796 119.800 -0.222 0.000 2.217 714 Q HA -0.299 4.041 4.340 -0.000 0.000 0.209 714 Q C 1.904 177.662 176.000 -0.402 0.000 0.988 714 Q CA 2.109 57.727 55.803 -0.308 0.000 0.878 714 Q CB -0.386 28.145 28.738 -0.345 0.000 0.909 714 Q HN 0.608 nan 8.270 nan 0.000 0.424 715 Q N -0.112 119.479 119.800 -0.348 0.000 2.046 715 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 715 Q C 2.312 178.185 176.000 -0.211 0.000 0.975 715 Q CA 1.623 57.350 55.803 -0.126 0.000 0.836 715 Q CB -0.105 28.634 28.738 0.001 0.000 0.896 715 Q HN 0.340 nan 8.270 nan 0.000 0.428 716 S N 0.944 116.386 115.700 -0.430 0.000 2.383 716 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 716 S C 2.085 176.423 174.600 -0.436 0.000 1.026 716 S CA 0.833 58.793 58.200 -0.400 0.000 0.981 716 S CB -0.194 62.732 63.200 -0.457 0.000 0.818 716 S HN 0.480 nan 8.310 nan 0.000 0.472 717 A N 1.406 123.854 122.820 -0.620 0.000 1.948 717 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 717 A C 2.124 179.605 177.584 -0.172 0.000 1.177 717 A CA 1.324 53.159 52.037 -0.337 0.000 0.636 717 A CB -0.468 18.402 19.000 -0.217 0.000 0.815 717 A HN 0.408 nan 8.150 nan 0.000 0.449 718 Q N -0.626 119.080 119.800 -0.156 0.000 2.187 718 Q HA 0.011 4.351 4.340 -0.000 0.000 0.199 718 Q C 2.133 178.075 176.000 -0.097 0.000 0.957 718 Q CA 0.971 56.736 55.803 -0.062 0.000 0.857 718 Q CB -0.305 28.472 28.738 0.064 0.000 0.929 718 Q HN 0.788 nan 8.270 nan 0.000 0.453 719 I N 1.204 121.686 120.570 -0.146 0.000 2.179 719 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 719 I C 2.511 178.454 176.117 -0.290 0.000 1.088 719 I CA 1.520 62.690 61.300 -0.217 0.000 1.357 719 I CB -0.381 37.487 38.000 -0.219 0.000 1.051 719 I HN 0.176 nan 8.210 nan 0.000 0.409 720 S N 0.535 116.095 115.700 -0.232 0.000 2.423 720 S HA -0.228 4.242 4.470 -0.000 0.000 0.231 720 S C 2.016 176.585 174.600 -0.052 0.000 1.014 720 S CA 1.129 59.217 58.200 -0.188 0.000 0.965 720 S CB -0.315 62.945 63.200 0.101 0.000 0.785 720 S HN 0.413 nan 8.310 nan 0.000 0.495 721 K N 1.271 121.640 120.400 -0.051 0.000 2.116 721 K HA 0.174 4.494 4.320 -0.000 0.000 0.203 721 K C 2.313 178.896 176.600 -0.028 0.000 1.052 721 K CA 0.856 57.139 56.287 -0.006 0.000 0.952 721 K CB -0.544 31.952 32.500 -0.007 0.000 0.729 721 K HN 0.423 nan 8.250 nan 0.000 0.446 722 A N 1.516 124.287 122.820 -0.081 0.000 1.902 722 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 722 A C 2.074 179.601 177.584 -0.095 0.000 1.181 722 A CA 1.149 53.135 52.037 -0.084 0.000 0.623 722 A CB -0.586 18.348 19.000 -0.110 0.000 0.818 722 A HN 0.296 nan 8.150 nan 0.000 0.443 723 L N -0.676 120.439 121.223 -0.180 0.000 2.046 723 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 723 L C 2.530 179.428 176.870 0.046 0.000 1.077 723 L CA 1.130 55.878 54.840 -0.152 0.000 0.747 723 L CB -0.666 41.127 42.059 -0.445 0.000 0.896 723 L HN 0.248 nan 8.230 nan 0.000 0.432 724 V N -0.261 119.714 119.914 0.102 0.000 2.307 724 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 724 V C 2.105 178.243 176.094 0.074 0.000 1.045 724 V CA 1.852 64.236 62.300 0.141 0.000 1.024 724 V CB -0.470 31.436 31.823 0.139 0.000 0.651 724 V HN 0.405 nan 8.190 nan 0.000 0.449 725 D N -0.419 120.005 120.400 0.041 0.000 2.182 725 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 725 D C 1.809 178.127 176.300 0.030 0.000 0.986 725 D CA 1.185 55.202 54.000 0.028 0.000 0.847 725 D CB -0.058 40.749 40.800 0.012 0.000 0.942 725 D HN 0.331 nan 8.370 nan 0.000 0.467 726 V N -0.881 119.051 119.914 0.030 0.000 3.647 726 V HA 0.228 4.348 4.120 -0.000 0.000 0.279 726 V C 1.182 177.307 176.094 0.052 0.000 1.314 726 V CA 0.847 63.167 62.300 0.033 0.000 1.125 726 V CB 0.233 32.069 31.823 0.021 0.000 0.907 726 V HN 0.391 nan 8.190 nan 0.000 0.434 727 G N 0.553 109.394 108.800 0.068 0.000 2.160 727 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 727 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 727 G C 0.063 175.028 174.900 0.109 0.000 1.022 727 G CA 0.281 45.430 45.100 0.081 0.000 0.741 727 G HN 0.458 nan 8.290 nan 0.000 0.508 728 V N 0.440 120.440 119.914 0.143 0.000 2.465 728 V HA 0.499 4.619 4.120 -0.000 0.000 0.279 728 V C 0.469 176.748 176.094 0.308 0.000 1.045 728 V CA -0.320 62.096 62.300 0.192 0.000 0.938 728 V CB 1.767 33.693 31.823 0.172 0.000 0.986 728 V HN 0.421 nan 8.190 nan 0.000 0.467 729 D N 3.632 124.187 120.400 0.257 0.000 2.255 729 D HA 0.631 5.271 4.640 -0.000 0.000 0.249 729 D C -0.662 175.846 176.300 0.347 0.000 1.078 729 D CA 0.054 54.184 54.000 0.218 0.000 0.896 729 D CB 0.863 41.729 40.800 0.110 0.000 1.194 729 D HN 0.364 nan 8.370 nan 0.000 0.429 730 F N -0.384 119.640 119.950 0.123 0.000 2.773 730 F HA 0.438 4.965 4.527 0.000 0.000 0.314 730 F C -1.521 174.344 175.800 0.108 0.000 1.160 730 F CA -1.096 57.005 58.000 0.168 0.000 0.920 730 F CB 0.744 39.880 39.000 0.227 0.000 1.323 730 F HN 0.164 nan 8.300 nan 0.000 0.457 731 Q N 1.267 121.191 119.800 0.207 0.000 2.297 731 Q HA 0.859 5.199 4.340 -0.000 0.000 0.268 731 Q C -1.073 174.955 176.000 0.047 0.000 1.045 731 Q CA -1.178 54.637 55.803 0.019 0.000 0.861 731 Q CB 2.485 31.282 28.738 0.099 0.000 1.344 731 Q HN 1.052 nan 8.270 nan 0.000 0.452 732 A N 1.427 124.237 122.820 -0.016 0.000 2.572 732 A HA 0.805 5.125 4.320 -0.000 0.000 0.295 732 A C -1.536 176.017 177.584 -0.051 0.000 1.072 732 A CA -0.518 51.534 52.037 0.025 0.000 0.691 732 A CB 2.104 21.178 19.000 0.123 0.000 1.291 732 A HN 0.576 nan 8.150 nan 0.000 0.404 733 M N 1.301 120.858 119.600 -0.072 0.000 2.322 733 M HA 0.627 5.107 4.480 -0.000 0.000 0.285 733 M C -2.155 174.063 176.300 -0.137 0.000 1.119 733 M CA -1.099 54.018 55.300 -0.306 0.000 0.953 733 M CB 1.376 33.733 32.600 -0.404 0.000 1.701 733 M HN 0.982 nan 8.290 nan 0.000 0.479 734 W N 4.235 125.404 121.300 -0.218 0.000 2.639 734 W HA 0.785 5.445 4.660 -0.000 0.000 0.347 734 W C -2.124 174.190 176.519 -0.341 0.000 1.067 734 W CA -0.995 56.306 57.345 -0.074 0.000 1.218 734 W CB 0.392 29.838 29.460 -0.023 0.000 1.393 734 W HN 0.611 nan 8.180 nan 0.000 0.557 735 Y N 2.389 122.852 120.300 0.272 0.000 2.388 735 Y HA 0.315 4.865 4.550 0.000 0.000 0.328 735 Y C 0.600 176.633 175.900 0.222 0.000 0.963 735 Y CA -1.004 57.178 58.100 0.137 0.000 1.240 735 Y CB 1.423 39.913 38.460 0.050 0.000 1.118 735 Y HN 0.422 nan 8.280 nan 0.000 0.484 736 T N 4.489 119.235 114.554 0.320 0.000 2.866 736 T HA -0.043 4.307 4.350 -0.000 0.000 0.293 736 T C 0.208 174.987 174.700 0.131 0.000 1.005 736 T CA 0.822 63.033 62.100 0.184 0.000 1.162 736 T CB -0.146 68.766 68.868 0.074 0.000 0.968 736 T HN 0.735 nan 8.240 nan 0.000 0.530 737 D N 0.681 121.136 120.400 0.092 0.000 3.028 737 D HA -0.123 4.516 4.640 -0.000 0.000 0.207 737 D C 0.442 176.871 176.300 0.214 0.000 1.100 737 D CA 1.240 55.232 54.000 -0.013 0.000 0.995 737 D CB -0.362 40.256 40.800 -0.303 0.000 1.108 737 D HN 0.590 nan 8.370 nan 0.000 0.421 738 E N 0.456 120.802 120.200 0.244 0.000 2.280 738 E HA 0.408 4.758 4.350 -0.000 0.000 0.261 738 E C 0.790 177.572 176.600 0.302 0.000 1.088 738 E CA -0.256 56.305 56.400 0.268 0.000 0.915 738 E CB 1.305 31.149 29.700 0.241 0.000 1.141 738 E HN 0.323 nan 8.360 nan 0.000 0.433 739 D N -1.204 119.382 120.400 0.310 0.000 2.707 739 D HA 0.024 4.664 4.640 -0.000 0.000 0.223 739 D C 0.971 177.499 176.300 0.379 0.000 1.208 739 D CA -0.222 53.986 54.000 0.347 0.000 1.081 739 D CB -0.411 40.616 40.800 0.378 0.000 1.216 739 D HN 0.368 nan 8.370 nan 0.000 0.633 740 H N -1.509 117.731 119.070 0.282 0.000 2.521 740 H HA 0.242 4.798 4.556 -0.000 0.000 0.286 740 H C 1.664 177.212 175.328 0.365 0.000 1.034 740 H CA 1.736 57.965 56.048 0.302 0.000 1.278 740 H CB -0.170 29.755 29.762 0.272 0.000 1.386 740 H HN 0.471 nan 8.280 nan 0.000 0.567 741 G N -0.715 108.248 108.800 0.272 0.000 3.088 741 G HA2 0.079 4.038 3.960 -0.000 0.000 0.217 741 G HA3 0.079 4.038 3.960 -0.000 0.000 0.217 741 G C 0.497 175.555 174.900 0.263 0.000 1.159 741 G CA -0.015 45.171 45.100 0.143 0.000 0.760 741 G HN 0.424 nan 8.290 nan 0.000 0.550 742 I N 0.312 121.068 120.570 0.310 0.000 3.815 742 I HA -0.334 3.836 4.170 -0.000 0.000 0.126 742 I C 1.458 177.693 176.117 0.197 0.000 1.050 742 I CA 0.355 61.790 61.300 0.225 0.000 2.736 742 I CB -0.688 37.413 38.000 0.170 0.000 1.417 742 I HN 0.252 nan 8.210 nan 0.000 0.341 743 A N 1.478 124.391 122.820 0.155 0.000 2.545 743 A HA 0.372 4.692 4.320 -0.000 0.000 0.263 743 A C 1.006 178.632 177.584 0.070 0.000 1.202 743 A CA 0.432 52.532 52.037 0.105 0.000 0.959 743 A CB 0.228 19.256 19.000 0.045 0.000 1.124 743 A HN 0.560 nan 8.150 nan 0.000 0.543 744 S N -0.664 115.094 115.700 0.096 0.000 2.589 744 S HA 0.218 4.688 4.470 -0.000 0.000 0.265 744 S C 1.222 175.869 174.600 0.077 0.000 1.342 744 S CA 0.398 58.645 58.200 0.079 0.000 1.005 744 S CB 1.177 64.434 63.200 0.096 0.000 0.909 744 S HN 0.375 nan 8.310 nan 0.000 0.555 745 S N 0.964 116.695 115.700 0.051 0.000 2.370 745 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 745 S C 2.115 176.774 174.600 0.099 0.000 1.033 745 S CA 2.066 60.296 58.200 0.051 0.000 1.011 745 S CB -1.387 61.825 63.200 0.021 0.000 0.852 745 S HN 1.016 nan 8.310 nan 0.000 0.457 746 T N -0.647 113.959 114.554 0.087 0.000 2.896 746 T HA 0.234 4.584 4.350 -0.000 0.000 0.263 746 T C 1.908 176.678 174.700 0.118 0.000 1.050 746 T CA 1.106 63.265 62.100 0.100 0.000 1.140 746 T CB -0.701 68.216 68.868 0.081 0.000 0.877 746 T HN 0.374 nan 8.240 nan 0.000 0.457 747 A N 1.066 123.940 122.820 0.090 0.000 2.015 747 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 747 A C 2.140 179.702 177.584 -0.037 0.000 1.163 747 A CA 1.861 53.897 52.037 -0.002 0.000 0.646 747 A CB -1.092 17.876 19.000 -0.054 0.000 0.806 747 A HN 0.796 nan 8.150 nan 0.000 0.448 748 H N -0.504 118.566 119.070 -0.000 0.000 2.333 748 H HA -0.040 4.516 4.556 -0.000 0.000 0.302 748 H C 2.096 177.488 175.328 0.106 0.000 1.075 748 H CA 2.041 58.136 56.048 0.079 0.000 1.348 748 H CB -0.192 29.599 29.762 0.047 0.000 1.393 748 H HN 0.520 nan 8.280 nan 0.000 0.509 749 Q N -1.055 118.786 119.800 0.069 0.000 2.096 749 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 749 Q C 2.025 178.038 176.000 0.020 0.000 0.982 749 Q CA 1.904 57.699 55.803 -0.012 0.000 0.850 749 Q CB -0.130 28.638 28.738 0.051 0.000 0.901 749 Q HN 0.679 nan 8.270 nan 0.000 0.422 750 H N -0.045 119.019 119.070 -0.010 0.000 2.343 750 H HA 0.020 4.576 4.556 -0.000 0.000 0.303 750 H C 1.974 177.321 175.328 0.031 0.000 1.068 750 H CA 1.151 57.229 56.048 0.050 0.000 1.359 750 H CB 0.094 29.945 29.762 0.150 0.000 1.402 750 H HN 0.197 nan 8.280 nan 0.000 0.515 751 I N -0.096 120.499 120.570 0.042 0.000 2.286 751 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 751 I C 1.210 177.167 176.117 -0.267 0.000 1.115 751 I CA 1.433 62.666 61.300 -0.111 0.000 1.392 751 I CB -0.102 37.624 38.000 -0.457 0.000 1.065 751 I HN 0.357 nan 8.210 nan 0.000 0.418 752 Y N 0.725 120.841 120.300 -0.307 0.000 2.373 752 Y HA -0.167 4.383 4.550 -0.000 0.000 0.293 752 Y C 2.668 178.402 175.900 -0.276 0.000 1.129 752 Y CA 1.620 59.427 58.100 -0.488 0.000 1.226 752 Y CB -0.643 37.486 38.460 -0.551 0.000 1.000 752 Y HN 0.127 nan 8.280 nan 0.000 0.549 753 T N -1.373 113.140 114.554 -0.069 0.000 2.674 753 T HA -0.263 4.087 4.350 -0.000 0.000 0.265 753 T C 1.583 176.210 174.700 -0.123 0.000 1.039 753 T CA 1.991 64.015 62.100 -0.126 0.000 1.150 753 T CB -0.502 68.282 68.868 -0.140 0.000 0.864 753 T HN 0.410 nan 8.240 nan 0.000 0.427 754 H N 0.899 119.884 119.070 -0.142 0.000 2.319 754 H HA 0.046 4.602 4.556 -0.000 0.000 0.299 754 H C 2.162 177.487 175.328 -0.005 0.000 1.092 754 H CA 1.718 57.743 56.048 -0.038 0.000 1.302 754 H CB -0.315 29.442 29.762 -0.007 0.000 1.373 754 H HN 0.262 nan 8.280 nan 0.000 0.497 755 M N -0.755 118.791 119.600 -0.090 0.000 2.296 755 M HA -0.146 4.334 4.480 -0.000 0.000 0.265 755 M C 2.324 178.741 176.300 0.195 0.000 1.064 755 M CA 1.317 56.554 55.300 -0.104 0.000 1.109 755 M CB 0.050 32.353 32.600 -0.495 0.000 1.396 755 M HN 0.235 nan 8.290 nan 0.000 0.430 756 S N -0.688 115.144 115.700 0.220 0.000 2.355 756 S HA -0.131 4.339 4.470 -0.000 0.000 0.222 756 S C 1.677 176.342 174.600 0.109 0.000 1.031 756 S CA 0.914 59.300 58.200 0.309 0.000 0.993 756 S CB -0.523 62.844 63.200 0.279 0.000 0.859 756 S HN 0.471 nan 8.310 nan 0.000 0.453 757 H N -0.141 118.989 119.070 0.100 0.000 2.387 757 H HA -0.036 4.520 4.556 0.000 0.000 0.299 757 H C 1.818 177.150 175.328 0.008 0.000 1.099 757 H CA 1.162 57.226 56.048 0.027 0.000 1.315 757 H CB -0.563 29.181 29.762 -0.030 0.000 1.380 757 H HN 0.483 nan 8.280 nan 0.000 0.513 758 F N 0.182 120.114 119.950 -0.030 0.000 2.558 758 F HA 0.012 4.539 4.527 -0.000 0.000 0.298 758 F C 2.050 177.792 175.800 -0.096 0.000 1.119 758 F CA 0.286 58.235 58.000 -0.084 0.000 1.451 758 F CB -0.031 38.879 39.000 -0.149 0.000 1.091 758 F HN -0.060 nan 8.300 nan 0.000 0.563 759 I N 0.147 120.756 120.570 0.064 0.000 2.494 759 I HA -0.159 4.011 4.170 -0.000 0.000 0.250 759 I C 2.242 178.165 176.117 -0.323 0.000 1.112 759 I CA 0.779 61.948 61.300 -0.218 0.000 1.438 759 I CB -0.370 37.517 38.000 -0.188 0.000 1.111 759 I HN -0.114 nan 8.210 nan 0.000 0.431 760 K N 0.528 120.870 120.400 -0.097 0.000 2.009 760 K HA -0.294 4.026 4.320 -0.000 0.000 0.210 760 K C 2.122 178.713 176.600 -0.016 0.000 1.049 760 K CA 2.196 58.480 56.287 -0.005 0.000 0.929 760 K CB -0.417 32.125 32.500 0.070 0.000 0.714 760 K HN 0.421 nan 8.250 nan 0.000 0.440 761 Q N 0.872 120.632 119.800 -0.065 0.000 2.096 761 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 761 Q C 2.224 178.153 176.000 -0.118 0.000 0.982 761 Q CA 2.040 57.793 55.803 -0.084 0.000 0.850 761 Q CB -1.207 27.462 28.738 -0.114 0.000 0.901 761 Q HN 0.344 nan 8.270 nan 0.000 0.422 762 c N -0.536 117.899 118.600 -0.275 0.000 2.419 762 c HA 0.027 4.597 4.570 -0.000 0.000 0.283 762 c C 1.092 175.275 174.090 0.155 0.000 1.373 762 c CA 0.264 56.466 56.329 -0.211 0.000 1.781 762 c CB -1.223 41.018 42.510 -0.448 0.000 1.886 762 c HN 0.614 nan 8.230 nan 0.000 0.520 763 F N 1.320 121.236 119.950 -0.057 0.000 2.647 763 F HA 0.280 4.807 4.527 0.000 0.000 0.300 763 F C 1.462 177.248 175.800 -0.024 0.000 1.106 763 F CA -0.169 57.815 58.000 -0.026 0.000 1.313 763 F CB -1.160 37.832 39.000 -0.014 0.000 1.007 763 F HN 0.150 nan 8.300 nan 0.000 0.536 764 S N 1.072 116.854 115.700 0.136 0.000 3.614 764 S HA -0.222 4.248 4.470 -0.000 0.000 0.360 764 S C -0.007 174.632 174.600 0.065 0.000 1.023 764 S CA 0.245 58.486 58.200 0.068 0.000 1.114 764 S CB -2.083 61.144 63.200 0.045 0.000 0.907 764 S HN 0.266 nan 8.310 nan 0.000 0.470 765 L N 1.002 122.275 121.223 0.083 0.000 2.265 765 L HA 0.449 4.789 4.340 -0.000 0.000 0.289 765 L C -1.587 175.320 176.870 0.062 0.000 1.033 765 L CA -2.068 52.815 54.840 0.072 0.000 0.814 765 L CB 0.670 42.785 42.059 0.094 0.000 1.203 765 L HN 0.015 nan 8.230 nan 0.000 0.423 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.131 63.100 0.051 0.000 0.800 766 P CB 0.000 31.723 31.700 0.037 0.000 0.726