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 2oqi_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 IKQcFS 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 0.000 174.653 174.600 0.089 0.000 1.055 39 S CA 0.000 58.263 58.200 0.106 0.000 1.107 39 S CB 0.000 63.286 63.200 0.143 0.000 0.593 40 R N 1.500 122.045 120.500 0.076 0.000 2.770 40 R HA -0.179 4.162 4.340 0.002 0.000 0.309 40 R C 0.631 176.979 176.300 0.080 0.000 0.534 40 R CA 1.803 57.947 56.100 0.073 0.000 1.085 40 R CB -1.164 29.180 30.300 0.073 0.000 0.541 40 R HN 0.787 nan 8.270 nan 0.000 0.498 41 K N 0.173 120.627 120.400 0.090 0.000 2.261 41 K HA 0.473 4.794 4.320 0.002 0.000 0.242 41 K C -0.588 176.078 176.600 0.111 0.000 1.083 41 K CA -0.265 56.083 56.287 0.101 0.000 0.880 41 K CB 1.545 34.112 32.500 0.111 0.000 1.353 41 K HN 0.762 nan 8.250 nan 0.000 0.486 42 T N -2.821 111.810 114.554 0.129 0.000 2.938 42 T HA 0.321 4.672 4.350 0.002 0.000 0.285 42 T C -0.646 174.196 174.700 0.237 0.000 1.028 42 T CA -0.642 61.551 62.100 0.154 0.000 1.005 42 T CB 0.557 69.506 68.868 0.134 0.000 1.157 42 T HN 0.431 nan 8.240 nan 0.000 0.550 43 Y N 2.901 123.285 120.300 0.140 0.000 2.624 43 Y HA 0.346 4.897 4.550 0.002 0.000 0.354 43 Y C 1.112 177.176 175.900 0.274 0.000 1.051 43 Y CA -0.351 57.877 58.100 0.214 0.000 1.377 43 Y CB -0.527 38.025 38.460 0.154 0.000 1.168 43 Y HN 0.993 nan 8.280 nan 0.000 0.525 44 T N 2.018 116.573 114.554 0.001 0.000 2.788 44 T HA 0.092 4.444 4.350 0.002 0.000 0.280 44 T C 1.066 175.620 174.700 -0.243 0.000 0.984 44 T CA -0.615 61.497 62.100 0.021 0.000 0.972 44 T CB 1.004 69.856 68.868 -0.026 0.000 1.039 44 T HN 0.644 nan 8.240 nan 0.000 0.530 45 L N 0.811 121.705 121.223 -0.549 0.000 2.056 45 L HA 0.045 4.386 4.340 0.002 0.000 0.207 45 L C 2.622 179.313 176.870 -0.298 0.000 1.078 45 L CA 2.088 56.485 54.840 -0.738 0.000 0.749 45 L CB -1.539 39.951 42.059 -0.949 0.000 0.901 45 L HN 0.948 nan 8.230 nan 0.000 0.433 46 T N -0.495 113.914 114.554 -0.241 0.000 2.833 46 T HA -0.150 4.201 4.350 0.002 0.000 0.269 46 T C 1.458 176.042 174.700 -0.193 0.000 1.054 46 T CA 1.412 63.408 62.100 -0.173 0.000 1.135 46 T CB -0.363 68.428 68.868 -0.128 0.000 0.869 46 T HN 0.396 nan 8.240 nan 0.000 0.466 47 D N 0.115 120.355 120.400 -0.267 0.000 2.144 47 D HA -0.075 4.566 4.640 0.002 0.000 0.199 47 D C 1.711 177.870 176.300 -0.234 0.000 0.984 47 D CA 0.935 54.731 54.000 -0.340 0.000 0.834 47 D CB -0.310 40.163 40.800 -0.545 0.000 0.955 47 D HN 0.426 nan 8.370 nan 0.000 0.465 48 Y N 1.400 121.489 120.300 -0.352 0.000 2.184 48 Y HA -0.057 4.493 4.550 0.002 0.000 0.290 48 Y C 2.122 178.014 175.900 -0.013 0.000 1.129 48 Y CA 1.150 59.219 58.100 -0.050 0.000 1.144 48 Y CB -0.500 37.986 38.460 0.044 0.000 0.995 48 Y HN -0.112 nan 8.280 nan 0.000 0.513 49 L N -0.182 120.860 121.223 -0.301 0.000 2.109 49 L HA -0.124 4.217 4.340 0.002 0.000 0.207 49 L C 1.911 178.670 176.870 -0.186 0.000 1.086 49 L CA 1.154 55.796 54.840 -0.329 0.000 0.760 49 L CB -0.412 41.526 42.059 -0.201 0.000 0.910 49 L HN 0.008 nan 8.230 nan 0.000 0.437 50 K N 0.007 120.319 120.400 -0.146 0.000 2.404 50 K HA 0.043 4.364 4.320 0.002 0.000 0.194 50 K C 0.140 176.683 176.600 -0.094 0.000 1.023 50 K CA -0.053 56.170 56.287 -0.107 0.000 1.094 50 K CB -0.555 31.883 32.500 -0.103 0.000 0.841 50 K HN 0.285 nan 8.250 nan 0.000 0.523 51 N N 1.549 120.199 118.700 -0.084 0.000 2.714 51 N HA -0.221 4.520 4.740 0.002 0.000 0.253 51 N C 0.349 175.832 175.510 -0.045 0.000 1.024 51 N CA 0.431 53.471 53.050 -0.018 0.000 0.726 51 N CB -0.374 38.106 38.487 -0.011 0.000 0.908 51 N HN 0.328 nan 8.380 nan 0.000 0.542 52 T N -2.785 111.676 114.554 -0.155 0.000 2.995 52 T HA -0.103 4.248 4.350 0.002 0.000 0.269 52 T C 0.423 174.917 174.700 -0.344 0.000 1.091 52 T CA 1.004 62.917 62.100 -0.312 0.000 1.128 52 T CB -0.089 68.467 68.868 -0.520 0.000 0.891 52 T HN 0.338 nan 8.240 nan 0.000 0.492 53 Y N 1.764 122.152 120.300 0.146 0.000 2.587 53 Y HA 0.631 5.182 4.550 0.002 0.000 0.328 53 Y C 0.308 176.310 175.900 0.171 0.000 0.980 53 Y CA -2.106 56.102 58.100 0.181 0.000 1.272 53 Y CB 0.610 39.237 38.460 0.279 0.000 1.094 53 Y HN -0.022 nan 8.280 nan 0.000 0.503 54 R N 3.007 123.651 120.500 0.239 0.000 2.234 54 R HA 0.412 4.753 4.340 0.002 0.000 0.324 54 R C -0.915 175.494 176.300 0.182 0.000 1.054 54 R CA -0.189 56.016 56.100 0.176 0.000 0.912 54 R CB 0.263 30.628 30.300 0.109 0.000 1.030 54 R HN 0.715 nan 8.270 nan 0.000 0.455 55 L N 4.646 125.981 121.223 0.186 0.000 2.416 55 L HA 0.193 4.534 4.340 0.002 0.000 0.272 55 L C 0.434 177.391 176.870 0.147 0.000 1.161 55 L CA 0.209 55.162 54.840 0.189 0.000 0.845 55 L CB 0.777 42.964 42.059 0.214 0.000 1.119 55 L HN 0.552 nan 8.230 nan 0.000 0.464 56 K N 3.910 124.396 120.400 0.143 0.000 2.143 56 K HA 0.613 4.934 4.320 0.002 0.000 0.272 56 K C -0.628 176.031 176.600 0.098 0.000 1.001 56 K CA -0.486 55.864 56.287 0.105 0.000 0.915 56 K CB 1.387 33.947 32.500 0.100 0.000 1.047 56 K HN 0.416 nan 8.250 nan 0.000 0.458 57 L N 1.221 122.430 121.223 -0.023 0.000 2.216 57 L HA 0.533 4.875 4.340 0.002 0.000 0.260 57 L C -1.038 175.592 176.870 -0.400 0.000 1.036 57 L CA -1.159 53.535 54.840 -0.243 0.000 0.914 57 L CB 0.800 42.796 42.059 -0.105 0.000 1.501 57 L HN 0.558 nan 8.230 nan 0.000 0.485 58 Y N 0.165 120.007 120.300 -0.763 0.000 2.412 58 Y HA 0.288 4.839 4.550 0.002 0.000 0.339 58 Y C -0.965 174.782 175.900 -0.255 0.000 1.151 58 Y CA -0.529 57.312 58.100 -0.432 0.000 1.355 58 Y CB 1.251 39.309 38.460 -0.670 0.000 1.120 58 Y HN 0.376 nan 8.280 nan 0.000 0.529 59 S N 6.137 121.738 115.700 -0.165 0.000 2.399 59 S HA 0.579 5.050 4.470 0.002 0.000 0.301 59 S C -0.626 173.903 174.600 -0.118 0.000 1.093 59 S CA -0.549 57.586 58.200 -0.108 0.000 1.077 59 S CB -0.094 63.039 63.200 -0.112 0.000 0.980 59 S HN 0.540 nan 8.310 nan 0.000 0.494 60 L N 1.061 122.209 121.223 -0.125 0.000 2.303 60 L HA 0.805 5.146 4.340 0.002 0.000 0.266 60 L C -0.136 176.623 176.870 -0.184 0.000 1.011 60 L CA -0.840 53.877 54.840 -0.205 0.000 0.818 60 L CB 0.798 42.448 42.059 -0.682 0.000 1.326 60 L HN 0.276 nan 8.230 nan 0.000 0.435 61 R N 1.013 121.439 120.500 -0.123 0.000 2.467 61 R HA 0.271 4.612 4.340 0.002 0.000 0.299 61 R C -1.824 174.504 176.300 0.046 0.000 1.120 61 R CA -0.502 55.590 56.100 -0.015 0.000 0.940 61 R CB 0.703 31.035 30.300 0.054 0.000 1.161 61 R HN 0.861 nan 8.270 nan 0.000 0.506 62 W N 5.460 126.868 121.300 0.181 0.000 2.417 62 W HA 0.020 4.681 4.660 0.002 0.000 0.332 62 W C 1.807 178.411 176.519 0.142 0.000 1.413 62 W CA -0.239 57.225 57.345 0.198 0.000 1.299 62 W CB 0.443 30.015 29.460 0.187 0.000 1.304 62 W HN 0.551 nan 8.180 nan 0.000 0.565 63 I N 0.806 121.594 120.570 0.363 0.000 4.082 63 I HA 0.323 4.494 4.170 0.002 0.000 0.337 63 I C 0.613 176.857 176.117 0.211 0.000 1.352 63 I CA -0.100 61.317 61.300 0.196 0.000 1.097 63 I CB -0.326 37.697 38.000 0.039 0.000 1.048 63 I HN 0.294 nan 8.210 nan 0.000 0.393 64 S N -0.161 115.728 115.700 0.314 0.000 2.761 64 S HA 0.240 4.712 4.470 0.002 0.000 0.290 64 S C -0.408 174.343 174.600 0.252 0.000 1.222 64 S CA -0.094 58.273 58.200 0.279 0.000 0.954 64 S CB 1.387 64.774 63.200 0.311 0.000 1.281 64 S HN 0.111 nan 8.310 nan 0.000 0.527 65 D N -0.953 119.572 120.400 0.208 0.000 2.363 65 D HA 0.341 4.982 4.640 0.002 0.000 0.214 65 D C 0.560 176.605 176.300 -0.426 0.000 1.093 65 D CA 0.349 54.237 54.000 -0.187 0.000 0.837 65 D CB 0.031 40.659 40.800 -0.288 0.000 0.948 65 D HN 0.582 nan 8.370 nan 0.000 0.507 66 H N -1.719 117.516 119.070 0.274 0.000 3.734 66 H HA 0.439 4.996 4.556 0.002 0.000 0.253 66 H C -0.201 175.279 175.328 0.254 0.000 1.072 66 H CA -0.232 56.001 56.048 0.307 0.000 1.147 66 H CB 0.581 30.465 29.762 0.204 0.000 1.495 66 H HN -0.004 nan 8.280 nan 0.000 0.588 67 E N 0.637 121.093 120.200 0.426 0.000 2.343 67 E HA 0.440 4.791 4.350 0.002 0.000 0.270 67 E C -1.449 175.361 176.600 0.350 0.000 0.895 67 E CA -1.284 55.262 56.400 0.243 0.000 0.767 67 E CB 2.890 32.642 29.700 0.087 0.000 1.248 67 E HN 0.204 nan 8.360 nan 0.000 0.440 68 Y N -0.769 119.582 120.300 0.084 0.000 2.581 68 Y HA 0.630 5.182 4.550 0.002 0.000 0.345 68 Y C -1.560 174.296 175.900 -0.074 0.000 1.036 68 Y CA -1.449 56.561 58.100 -0.150 0.000 1.042 68 Y CB 0.828 38.767 38.460 -0.869 0.000 1.289 68 Y HN 0.349 nan 8.280 nan 0.000 0.471 69 L N 3.189 124.517 121.223 0.175 0.000 2.282 69 L HA 0.336 4.678 4.340 0.002 0.000 0.288 69 L C -1.301 175.745 176.870 0.293 0.000 1.033 69 L CA -0.860 54.056 54.840 0.127 0.000 0.807 69 L CB 1.113 43.145 42.059 -0.045 0.000 1.209 69 L HN 0.744 nan 8.230 nan 0.000 0.423 70 Y N 4.401 124.828 120.300 0.212 0.000 2.587 70 Y HA 0.286 4.837 4.550 0.002 0.000 0.328 70 Y C -0.135 175.782 175.900 0.028 0.000 0.980 70 Y CA -1.121 57.027 58.100 0.080 0.000 1.272 70 Y CB 0.535 39.055 38.460 0.100 0.000 1.094 70 Y HN 0.411 nan 8.280 nan 0.000 0.503 71 K N 5.390 125.552 120.400 -0.396 0.000 2.416 71 K HA 0.114 4.435 4.320 0.002 0.000 0.283 71 K C -0.222 176.030 176.600 -0.579 0.000 1.037 71 K CA 0.068 56.142 56.287 -0.355 0.000 0.995 71 K CB 0.794 33.161 32.500 -0.222 0.000 0.938 71 K HN 0.715 nan 8.250 nan 0.000 0.475 72 Q N 1.229 120.844 119.800 -0.308 0.000 2.385 72 Q HA 0.091 4.432 4.340 0.002 0.000 0.262 72 Q C 0.842 176.766 176.000 -0.125 0.000 1.050 72 Q CA -0.641 55.017 55.803 -0.241 0.000 0.903 72 Q CB 1.422 30.112 28.738 -0.080 0.000 1.325 72 Q HN 0.588 nan 8.270 nan 0.000 0.485 73 E N 0.349 120.504 120.200 -0.075 0.000 2.038 73 E HA -0.226 4.125 4.350 0.002 0.000 0.195 73 E C 1.136 177.738 176.600 0.003 0.000 1.000 73 E CA 1.359 57.741 56.400 -0.030 0.000 0.803 73 E CB 0.227 29.918 29.700 -0.016 0.000 0.750 73 E HN 0.454 nan 8.360 nan 0.000 0.448 74 N N 0.608 119.310 118.700 0.003 0.000 2.131 74 N HA -0.062 4.679 4.740 0.002 0.000 0.190 74 N C 0.533 176.054 175.510 0.018 0.000 1.055 74 N CA 0.949 54.010 53.050 0.019 0.000 0.853 74 N CB -0.181 38.312 38.487 0.010 0.000 1.035 74 N HN 0.173 nan 8.380 nan 0.000 0.440 75 N N 0.363 119.060 118.700 -0.006 0.000 2.563 75 N HA 0.442 5.184 4.740 0.002 0.000 0.288 75 N C -0.737 174.748 175.510 -0.042 0.000 1.246 75 N CA -0.495 52.540 53.050 -0.025 0.000 0.946 75 N CB 1.173 39.646 38.487 -0.024 0.000 1.213 75 N HN 0.032 nan 8.380 nan 0.000 0.578 76 I N 0.477 121.023 120.570 -0.041 0.000 2.362 76 I HA 0.301 4.472 4.170 0.002 0.000 0.289 76 I C -0.329 175.834 176.117 0.078 0.000 0.994 76 I CA -0.699 60.595 61.300 -0.010 0.000 1.158 76 I CB 0.897 38.883 38.000 -0.024 0.000 1.315 76 I HN 0.228 nan 8.210 nan 0.000 0.451 77 L N 6.071 127.361 121.223 0.112 0.000 2.416 77 L HA 0.634 4.975 4.340 0.002 0.000 0.263 77 L C -0.389 176.529 176.870 0.079 0.000 1.065 77 L CA -0.971 53.922 54.840 0.088 0.000 0.798 77 L CB 1.966 44.080 42.059 0.092 0.000 1.267 77 L HN 0.294 nan 8.230 nan 0.000 0.467 78 V N 0.721 120.582 119.914 -0.089 0.000 2.577 78 V HA 0.493 4.614 4.120 0.002 0.000 0.303 78 V C -1.264 174.642 176.094 -0.314 0.000 1.042 78 V CA -0.274 61.946 62.300 -0.132 0.000 0.872 78 V CB 1.725 33.469 31.823 -0.132 0.000 0.998 78 V HN 0.427 nan 8.190 nan 0.000 0.423 79 F N 4.835 124.513 119.950 -0.453 0.000 2.492 79 F HA 0.515 5.043 4.527 0.002 0.000 0.327 79 F C 0.587 176.084 175.800 -0.505 0.000 1.079 79 F CA -0.541 57.118 58.000 -0.569 0.000 0.967 79 F CB 1.829 40.221 39.000 -1.013 0.000 1.169 79 F HN 0.473 nan 8.300 nan 0.000 0.472 80 N N 2.299 120.930 118.700 -0.115 0.000 2.645 80 N HA 0.191 4.932 4.740 0.002 0.000 0.233 80 N C 0.757 176.180 175.510 -0.144 0.000 1.058 80 N CA 0.156 53.159 53.050 -0.078 0.000 0.942 80 N CB 1.345 39.846 38.487 0.023 0.000 1.210 80 N HN 0.856 nan 8.380 nan 0.000 0.512 81 A N 3.340 126.032 122.820 -0.214 0.000 1.985 81 A HA -0.293 4.028 4.320 0.002 0.000 0.223 81 A C 1.957 179.192 177.584 -0.582 0.000 1.189 81 A CA 2.204 54.006 52.037 -0.391 0.000 0.658 81 A CB -0.461 18.096 19.000 -0.738 0.000 0.820 81 A HN 0.790 nan 8.150 nan 0.000 0.464 82 E N -1.309 118.535 120.200 -0.593 0.000 2.006 82 E HA -0.167 4.184 4.350 0.002 0.000 0.192 82 E C 1.709 177.997 176.600 -0.519 0.000 0.993 82 E CA 1.935 57.992 56.400 -0.571 0.000 0.808 82 E CB -0.411 28.823 29.700 -0.777 0.000 0.764 82 E HN 0.692 nan 8.360 nan 0.000 0.449 83 Y N -1.565 118.721 120.300 -0.024 0.000 2.436 83 Y HA 0.352 4.903 4.550 0.002 0.000 0.288 83 Y C 1.898 177.794 175.900 -0.007 0.000 1.112 83 Y CA 0.555 58.648 58.100 -0.011 0.000 1.220 83 Y CB 0.316 38.773 38.460 -0.005 0.000 1.073 83 Y HN 0.319 nan 8.280 nan 0.000 0.552 84 G N 0.122 108.982 108.800 0.100 0.000 2.213 84 G HA2 -0.297 3.664 3.960 0.002 0.000 0.226 84 G HA3 -0.297 3.664 3.960 0.002 0.000 0.226 84 G C 0.112 175.096 174.900 0.139 0.000 0.992 84 G CA -0.064 45.119 45.100 0.138 0.000 0.632 84 G HN 0.453 nan 8.290 nan 0.000 0.511 85 N N 1.175 119.928 118.700 0.089 0.000 2.329 85 N HA 0.357 5.098 4.740 0.002 0.000 0.237 85 N C 0.107 175.523 175.510 -0.157 0.000 1.258 85 N CA 1.202 54.245 53.050 -0.011 0.000 0.866 85 N CB 0.945 39.436 38.487 0.006 0.000 1.102 85 N HN 1.208 nan 8.380 nan 0.000 0.440 86 S N -0.738 114.782 115.700 -0.301 0.000 2.618 86 S HA 0.765 5.236 4.470 0.002 0.000 0.277 86 S C -1.085 173.312 174.600 -0.339 0.000 1.138 86 S CA -0.904 56.954 58.200 -0.571 0.000 0.844 86 S CB 1.623 64.053 63.200 -1.284 0.000 1.127 86 S HN 0.667 nan 8.310 nan 0.000 0.474 87 S N 0.334 115.853 115.700 -0.300 0.000 2.564 87 S HA 0.547 5.018 4.470 0.002 0.000 0.274 87 S C -0.856 173.682 174.600 -0.102 0.000 1.124 87 S CA -0.826 57.283 58.200 -0.151 0.000 0.869 87 S CB 1.558 64.709 63.200 -0.083 0.000 1.105 87 S HN 0.783 nan 8.310 nan 0.000 0.472 88 V N 3.108 122.988 119.914 -0.057 0.000 2.485 88 V HA 0.092 4.214 4.120 0.002 0.000 0.287 88 V C 0.745 176.871 176.094 0.054 0.000 1.022 88 V CA 0.316 62.608 62.300 -0.013 0.000 1.067 88 V CB -0.223 31.578 31.823 -0.036 0.000 0.967 88 V HN 0.969 nan 8.190 nan 0.000 0.479 89 F N 6.115 126.016 119.950 -0.081 0.000 2.187 89 F HA 0.151 4.679 4.527 0.002 0.000 0.295 89 F C 0.672 176.434 175.800 -0.063 0.000 1.091 89 F CA 0.623 58.582 58.000 -0.067 0.000 1.308 89 F CB 0.528 39.494 39.000 -0.056 0.000 1.030 89 F HN 0.391 nan 8.300 nan 0.000 0.487 90 L N -0.052 121.113 121.223 -0.097 0.000 2.588 90 L HA 0.445 4.786 4.340 0.002 0.000 0.263 90 L C -1.120 175.668 176.870 -0.137 0.000 0.935 90 L CA -1.001 53.720 54.840 -0.198 0.000 0.891 90 L CB 0.567 42.479 42.059 -0.244 0.000 1.318 90 L HN -0.196 nan 8.230 nan 0.000 0.409 91 E N 2.258 122.364 120.200 -0.157 0.000 2.452 91 E HA 0.073 4.424 4.350 0.002 0.000 0.261 91 E C 1.506 178.034 176.600 -0.120 0.000 0.987 91 E CA 0.931 57.255 56.400 -0.127 0.000 0.926 91 E CB 0.804 30.423 29.700 -0.135 0.000 0.934 91 E HN 0.788 nan 8.360 nan 0.000 0.452 92 N N 1.377 120.042 118.700 -0.058 0.000 2.205 92 N HA -0.242 4.499 4.740 0.002 0.000 0.186 92 N C 1.182 176.683 175.510 -0.015 0.000 1.015 92 N CA 1.274 54.319 53.050 -0.008 0.000 0.862 92 N CB -0.120 38.372 38.487 0.007 0.000 0.986 92 N HN 0.386 nan 8.380 nan 0.000 0.429 93 S N 0.313 115.976 115.700 -0.063 0.000 2.428 93 S HA -0.058 4.413 4.470 0.002 0.000 0.230 93 S C 1.845 176.350 174.600 -0.159 0.000 1.014 93 S CA 1.089 59.246 58.200 -0.072 0.000 0.957 93 S CB -0.753 62.407 63.200 -0.067 0.000 0.784 93 S HN 0.279 nan 8.310 nan 0.000 0.499 94 T N 1.794 116.165 114.554 -0.306 0.000 2.736 94 T HA -0.171 4.180 4.350 0.002 0.000 0.265 94 T C 0.439 174.646 174.700 -0.822 0.000 1.031 94 T CA 1.764 63.480 62.100 -0.640 0.000 1.155 94 T CB -0.575 67.688 68.868 -1.008 0.000 0.849 94 T HN 0.591 nan 8.240 nan 0.000 0.471 95 F N 0.685 120.575 119.950 -0.101 0.000 2.791 95 F HA 0.330 4.858 4.527 0.002 0.000 0.308 95 F C 1.206 177.016 175.800 0.017 0.000 1.138 95 F CA -1.332 56.624 58.000 -0.074 0.000 1.294 95 F CB 0.018 38.934 39.000 -0.141 0.000 0.975 95 F HN -0.048 nan 8.300 nan 0.000 0.512 96 D N 1.181 121.635 120.400 0.091 0.000 2.106 96 D HA -0.210 4.431 4.640 0.002 0.000 0.191 96 D C 1.396 177.750 176.300 0.090 0.000 0.997 96 D CA 1.642 55.687 54.000 0.075 0.000 0.834 96 D CB -0.153 40.659 40.800 0.020 0.000 0.956 96 D HN 0.538 nan 8.370 nan 0.000 0.448 97 E N -0.006 120.247 120.200 0.088 0.000 2.411 97 E HA 0.037 4.388 4.350 0.002 0.000 0.228 97 E C 0.648 177.314 176.600 0.111 0.000 1.169 97 E CA -0.429 56.009 56.400 0.064 0.000 1.421 97 E CB -0.407 29.308 29.700 0.026 0.000 1.333 97 E HN 0.101 nan 8.360 nan 0.000 0.434 98 F N 2.073 122.028 119.950 0.008 0.000 2.661 98 F HA 0.214 4.742 4.527 0.002 0.000 0.298 98 F C 1.546 177.278 175.800 -0.113 0.000 1.137 98 F CA 0.919 58.913 58.000 -0.010 0.000 1.454 98 F CB -0.023 38.976 39.000 -0.002 0.000 1.103 98 F HN 0.350 nan 8.300 nan 0.000 0.577 99 G N 1.004 109.637 108.800 -0.277 0.000 2.225 99 G HA2 -0.274 3.687 3.960 0.002 0.000 0.267 99 G HA3 -0.274 3.687 3.960 0.002 0.000 0.267 99 G C -0.205 174.182 174.900 -0.855 0.000 1.024 99 G CA 0.623 45.421 45.100 -0.503 0.000 0.784 99 G HN 0.607 nan 8.290 nan 0.000 0.507 100 H N -1.231 117.587 119.070 -0.420 0.000 3.123 100 H HA 0.409 4.966 4.556 0.002 0.000 0.346 100 H C -0.514 174.781 175.328 -0.056 0.000 1.138 100 H CA -0.159 55.670 56.048 -0.365 0.000 1.273 100 H CB 1.297 30.515 29.762 -0.908 0.000 1.926 100 H HN 0.251 nan 8.280 nan 0.000 0.524 101 S N 2.609 118.381 115.700 0.120 0.000 2.531 101 S HA 0.331 4.802 4.470 0.002 0.000 0.279 101 S C 0.232 174.888 174.600 0.093 0.000 1.305 101 S CA -0.532 57.720 58.200 0.087 0.000 1.058 101 S CB -0.247 62.986 63.200 0.054 0.000 0.899 101 S HN 0.397 nan 8.310 nan 0.000 0.493 102 I N 6.055 126.619 120.570 -0.010 0.000 2.330 102 I HA 0.243 4.414 4.170 0.002 0.000 0.286 102 I C 1.286 177.259 176.117 -0.240 0.000 1.025 102 I CA -0.512 60.691 61.300 -0.161 0.000 1.197 102 I CB 1.038 38.768 38.000 -0.449 0.000 1.358 102 I HN 0.769 nan 8.210 nan 0.000 0.467 103 N N 4.034 122.619 118.700 -0.192 0.000 2.412 103 N HA 0.022 4.763 4.740 0.002 0.000 0.184 103 N C -0.245 175.117 175.510 -0.247 0.000 1.101 103 N CA 0.310 53.230 53.050 -0.217 0.000 0.881 103 N CB 0.654 38.992 38.487 -0.248 0.000 0.969 103 N HN 0.494 nan 8.380 nan 0.000 0.459 104 D N -0.854 119.367 120.400 -0.300 0.000 2.745 104 D HA 0.290 4.931 4.640 0.002 0.000 0.221 104 D C -1.610 174.573 176.300 -0.194 0.000 1.237 104 D CA -0.434 53.449 54.000 -0.194 0.000 0.781 104 D CB 1.166 41.932 40.800 -0.056 0.000 1.575 104 D HN -0.070 nan 8.370 nan 0.000 0.482 105 Y N 0.105 120.432 120.300 0.045 0.000 2.567 105 Y HA 0.651 5.202 4.550 0.002 0.000 0.333 105 Y C 0.460 176.455 175.900 0.158 0.000 1.106 105 Y CA -0.841 57.310 58.100 0.084 0.000 1.157 105 Y CB 2.176 40.683 38.460 0.078 0.000 1.277 105 Y HN 0.152 nan 8.280 nan 0.000 0.490 106 S N 1.668 117.617 115.700 0.414 0.000 2.653 106 S HA 0.496 4.968 4.470 0.002 0.000 0.268 106 S C -1.465 173.420 174.600 0.475 0.000 1.153 106 S CA -0.480 57.966 58.200 0.410 0.000 1.036 106 S CB -0.029 63.416 63.200 0.408 0.000 1.103 106 S HN 0.574 nan 8.310 nan 0.000 0.466 107 I N 4.633 125.371 120.570 0.281 0.000 2.342 107 I HA 0.270 4.441 4.170 0.002 0.000 0.291 107 I C 0.992 176.964 176.117 -0.241 0.000 1.010 107 I CA -0.342 61.031 61.300 0.122 0.000 1.308 107 I CB 1.646 39.734 38.000 0.147 0.000 1.400 107 I HN 0.780 nan 8.210 nan 0.000 0.488 108 S N 8.059 123.329 115.700 -0.716 0.000 2.558 108 S HA 0.100 4.571 4.470 0.002 0.000 0.287 108 S C -1.471 172.857 174.600 -0.452 0.000 1.321 108 S CA -0.894 56.560 58.200 -1.245 0.000 1.048 108 S CB 0.352 62.794 63.200 -1.264 0.000 0.844 108 S HN 0.558 nan 8.310 nan 0.000 0.512 109 P HA 0.065 nan 4.420 nan 0.000 0.251 109 P C -0.018 177.235 177.300 -0.078 0.000 1.251 109 P CA 0.528 63.562 63.100 -0.110 0.000 0.763 109 P CB 0.038 31.701 31.700 -0.062 0.000 1.067 110 D N -0.557 119.779 120.400 -0.107 0.000 2.338 110 D HA 0.122 4.763 4.640 0.002 0.000 0.208 110 D C 1.848 178.141 176.300 -0.011 0.000 0.997 110 D CA 1.302 55.292 54.000 -0.016 0.000 0.880 110 D CB -0.091 40.766 40.800 0.094 0.000 0.980 110 D HN 0.143 nan 8.370 nan 0.000 0.509 111 G N 0.745 109.530 108.800 -0.025 0.000 2.234 111 G HA2 -0.390 3.571 3.960 0.002 0.000 0.260 111 G HA3 -0.390 3.571 3.960 0.002 0.000 0.260 111 G C 1.145 176.056 174.900 0.019 0.000 0.987 111 G CA 0.673 45.823 45.100 0.084 0.000 0.625 111 G HN 0.407 nan 8.290 nan 0.000 0.532 112 Q N -1.214 118.512 119.800 -0.123 0.000 2.311 112 Q HA 0.327 4.668 4.340 0.002 0.000 0.203 112 Q C 0.201 175.680 176.000 -0.869 0.000 0.954 112 Q CA 0.750 56.277 55.803 -0.460 0.000 0.885 112 Q CB 0.199 28.673 28.738 -0.441 0.000 0.963 112 Q HN 0.587 nan 8.270 nan 0.000 0.471 113 F N -0.793 119.085 119.950 -0.119 0.000 2.626 113 F HA 0.493 5.021 4.527 0.002 0.000 0.311 113 F C -0.661 175.191 175.800 0.087 0.000 1.088 113 F CA -1.060 56.924 58.000 -0.025 0.000 0.949 113 F CB 1.578 40.588 39.000 0.016 0.000 1.322 113 F HN -0.264 nan 8.300 nan 0.000 0.461 114 I N 3.077 123.945 120.570 0.496 0.000 2.439 114 I HA 0.311 4.482 4.170 0.002 0.000 0.285 114 I C -1.317 175.119 176.117 0.532 0.000 1.021 114 I CA -0.789 60.803 61.300 0.487 0.000 1.091 114 I CB 1.848 40.114 38.000 0.444 0.000 1.242 114 I HN 0.288 nan 8.210 nan 0.000 0.439 115 L N 7.535 129.110 121.223 0.587 0.000 2.331 115 L HA 0.423 4.764 4.340 0.002 0.000 0.278 115 L C -0.644 176.395 176.870 0.282 0.000 1.106 115 L CA 0.155 55.236 54.840 0.403 0.000 0.824 115 L CB 0.703 42.943 42.059 0.302 0.000 1.142 115 L HN 0.442 nan 8.230 nan 0.000 0.443 116 L N 5.100 126.426 121.223 0.171 0.000 2.298 116 L HA 0.474 4.815 4.340 0.002 0.000 0.284 116 L C -0.109 176.784 176.870 0.037 0.000 1.013 116 L CA -0.437 54.385 54.840 -0.029 0.000 0.824 116 L CB 1.499 43.351 42.059 -0.346 0.000 1.221 116 L HN 0.599 nan 8.230 nan 0.000 0.418 117 E N 4.189 124.347 120.200 -0.069 0.000 2.174 117 E HA 0.450 4.801 4.350 0.002 0.000 0.282 117 E C -1.603 174.908 176.600 -0.148 0.000 0.992 117 E CA -0.481 55.750 56.400 -0.281 0.000 0.803 117 E CB 1.094 30.709 29.700 -0.142 0.000 1.090 117 E HN 0.452 nan 8.360 nan 0.000 0.396 118 Y N 1.553 121.651 120.300 -0.337 0.000 2.689 118 Y HA 0.433 4.984 4.550 0.002 0.000 0.333 118 Y C -0.217 175.566 175.900 -0.195 0.000 1.190 118 Y CA -1.538 56.445 58.100 -0.194 0.000 1.063 118 Y CB 0.566 38.966 38.460 -0.101 0.000 1.294 118 Y HN 0.530 nan 8.280 nan 0.000 0.466 119 N N -0.528 118.180 118.700 0.014 0.000 2.735 119 N HA -0.297 4.444 4.740 0.002 0.000 0.248 119 N C -0.973 174.496 175.510 -0.067 0.000 1.083 119 N CA 0.991 54.010 53.050 -0.051 0.000 0.703 119 N CB -1.665 36.714 38.487 -0.179 0.000 1.005 119 N HN 0.866 nan 8.380 nan 0.000 0.550 120 Y N 0.423 120.637 120.300 -0.143 0.000 2.632 120 Y HA 0.240 4.791 4.550 0.002 0.000 0.329 120 Y C 0.116 175.964 175.900 -0.087 0.000 1.174 120 Y CA 0.156 58.165 58.100 -0.152 0.000 1.469 120 Y CB 0.686 39.009 38.460 -0.229 0.000 1.242 120 Y HN -0.002 nan 8.280 nan 0.000 0.540 121 V N 8.383 127.936 119.914 -0.603 0.000 2.385 121 V HA 0.165 4.286 4.120 0.002 0.000 0.277 121 V C -0.202 175.524 176.094 -0.613 0.000 1.012 121 V CA -1.303 60.718 62.300 -0.465 0.000 0.832 121 V CB 0.961 32.646 31.823 -0.231 0.000 1.028 121 V HN 0.773 nan 8.190 nan 0.000 0.436 122 K N 3.499 123.458 120.400 -0.736 0.000 2.469 122 K HA 0.148 4.469 4.320 0.002 0.000 0.274 122 K C 0.442 176.883 176.600 -0.266 0.000 0.983 122 K CA 0.503 56.533 56.287 -0.428 0.000 0.974 122 K CB 1.109 33.548 32.500 -0.103 0.000 0.913 122 K HN 0.764 nan 8.250 nan 0.000 0.493 123 Q N 2.649 122.301 119.800 -0.247 0.000 2.898 123 Q HA 0.208 4.549 4.340 0.002 0.000 0.212 123 Q C -0.227 175.634 176.000 -0.233 0.000 1.077 123 Q CA -0.551 54.944 55.803 -0.514 0.000 0.387 123 Q CB 0.198 28.445 28.738 -0.818 0.000 4.985 123 Q HN 0.728 nan 8.270 nan 0.000 0.324 124 W N 0.379 121.707 121.300 0.047 0.000 1.940 124 W HA 0.313 4.974 4.660 0.002 0.000 0.516 124 W C 1.613 178.159 176.519 0.044 0.000 2.058 124 W CA -0.552 56.858 57.345 0.108 0.000 2.332 124 W CB 0.036 29.553 29.460 0.095 0.000 1.870 124 W HN 0.429 nan 8.180 nan 0.000 0.766 125 R N -0.497 120.170 120.500 0.278 0.000 2.139 125 R HA -0.189 4.152 4.340 0.002 0.000 0.243 125 R C 1.570 177.737 176.300 -0.222 0.000 1.145 125 R CA 2.105 58.179 56.100 -0.043 0.000 0.976 125 R CB -0.450 29.710 30.300 -0.233 0.000 0.866 125 R HN 0.488 nan 8.270 nan 0.000 0.449 126 H N -1.450 117.722 119.070 0.171 0.000 2.735 126 H HA 0.222 4.779 4.556 0.002 0.000 0.250 126 H C 0.387 175.822 175.328 0.179 0.000 0.948 126 H CA 0.528 56.692 56.048 0.192 0.000 1.137 126 H CB 0.088 29.936 29.762 0.144 0.000 1.440 126 H HN 0.223 nan 8.280 nan 0.000 0.444 127 S N 1.425 117.147 115.700 0.036 0.000 2.585 127 S HA 0.342 4.813 4.470 0.002 0.000 0.273 127 S C -0.288 174.157 174.600 -0.257 0.000 1.339 127 S CA -0.349 57.514 58.200 -0.562 0.000 1.028 127 S CB 0.655 63.010 63.200 -1.408 0.000 0.906 127 S HN 0.471 nan 8.310 nan 0.000 0.528 128 Y N -2.515 117.601 120.300 -0.306 0.000 2.841 128 Y HA 0.572 5.124 4.550 0.002 0.000 0.373 128 Y C -0.958 174.914 175.900 -0.046 0.000 1.170 128 Y CA -0.829 57.129 58.100 -0.236 0.000 1.196 128 Y CB 0.313 38.629 38.460 -0.240 0.000 1.433 128 Y HN 0.949 nan 8.280 nan 0.000 0.479 129 T N 0.185 114.819 114.554 0.134 0.000 2.924 129 T HA 1.040 5.391 4.350 0.002 0.000 0.291 129 T C -0.462 174.350 174.700 0.187 0.000 1.045 129 T CA -0.112 62.073 62.100 0.142 0.000 1.015 129 T CB 1.820 70.706 68.868 0.031 0.000 1.103 129 T HN 1.964 nan 8.240 nan 0.000 0.496 130 A N 0.938 123.827 122.820 0.116 0.000 2.557 130 A HA 0.801 5.122 4.320 0.002 0.000 0.292 130 A C -0.639 176.697 177.584 -0.414 0.000 1.139 130 A CA -0.994 50.938 52.037 -0.176 0.000 0.665 130 A CB 1.048 19.898 19.000 -0.249 0.000 1.285 130 A HN 0.879 nan 8.150 nan 0.000 0.433 131 S N -0.723 114.477 115.700 -0.834 0.000 2.593 131 S HA 0.799 5.270 4.470 0.002 0.000 0.297 131 S C -1.553 172.324 174.600 -1.205 0.000 1.112 131 S CA -0.082 57.554 58.200 -0.940 0.000 1.043 131 S CB 0.710 63.085 63.200 -1.376 0.000 1.054 131 S HN 0.446 nan 8.310 nan 0.000 0.516 132 Y N 0.152 120.193 120.300 -0.431 0.000 2.492 132 Y HA 0.478 5.029 4.550 0.002 0.000 0.346 132 Y C -0.472 175.427 175.900 -0.001 0.000 0.997 132 Y CA -0.938 57.048 58.100 -0.189 0.000 1.025 132 Y CB 1.784 40.116 38.460 -0.214 0.000 1.263 132 Y HN 0.491 nan 8.280 nan 0.000 0.454 133 D N 2.781 123.353 120.400 0.287 0.000 2.738 133 D HA 0.519 5.160 4.640 0.002 0.000 0.237 133 D C -0.910 175.508 176.300 0.197 0.000 1.123 133 D CA -0.336 53.819 54.000 0.258 0.000 0.856 133 D CB 2.734 43.762 40.800 0.379 0.000 1.552 133 D HN 0.404 nan 8.370 nan 0.000 0.480 134 I N 1.978 122.664 120.570 0.193 0.000 2.354 134 I HA 0.224 4.395 4.170 0.002 0.000 0.292 134 I C -0.783 175.543 176.117 0.349 0.000 0.989 134 I CA -0.955 60.503 61.300 0.262 0.000 1.188 134 I CB 1.189 39.306 38.000 0.196 0.000 1.342 134 I HN 0.236 nan 8.210 nan 0.000 0.457 135 Y N 5.845 126.302 120.300 0.261 0.000 2.331 135 Y HA 0.308 4.860 4.550 0.002 0.000 0.338 135 Y C -0.203 175.868 175.900 0.286 0.000 0.992 135 Y CA -0.781 57.472 58.100 0.255 0.000 1.121 135 Y CB 1.065 39.692 38.460 0.279 0.000 1.184 135 Y HN 0.480 nan 8.280 nan 0.000 0.469 136 D N 6.177 126.424 120.400 -0.254 0.000 2.325 136 D HA 0.106 4.747 4.640 0.002 0.000 0.251 136 D C 0.605 176.496 176.300 -0.682 0.000 1.196 136 D CA 0.228 54.025 54.000 -0.340 0.000 0.866 136 D CB 0.981 41.677 40.800 -0.173 0.000 1.101 136 D HN 0.868 nan 8.370 nan 0.000 0.476 137 L N 3.484 124.377 121.223 -0.551 0.000 2.478 137 L HA -0.067 4.274 4.340 0.002 0.000 0.223 137 L C 1.743 178.389 176.870 -0.373 0.000 1.140 137 L CA 0.097 54.683 54.840 -0.423 0.000 0.842 137 L CB -0.212 41.652 42.059 -0.325 0.000 0.953 137 L HN 0.331 nan 8.230 nan 0.000 0.452 138 N N 1.698 120.153 118.700 -0.409 0.000 2.093 138 N HA -0.149 4.592 4.740 0.002 0.000 0.191 138 N C 1.519 176.894 175.510 -0.225 0.000 1.062 138 N CA 1.340 54.219 53.050 -0.284 0.000 0.854 138 N CB -0.383 37.938 38.487 -0.276 0.000 1.043 138 N HN 0.378 nan 8.380 nan 0.000 0.438 139 K N 1.482 121.753 120.400 -0.215 0.000 2.525 139 K HA 0.141 4.462 4.320 0.002 0.000 0.192 139 K C -0.352 176.134 176.600 -0.190 0.000 1.029 139 K CA -0.005 56.188 56.287 -0.158 0.000 1.029 139 K CB -0.046 32.390 32.500 -0.107 0.000 0.814 139 K HN 0.122 nan 8.250 nan 0.000 0.503 140 R N 0.603 120.909 120.500 -0.324 0.000 3.301 140 R HA -0.213 4.129 4.340 0.002 0.000 0.249 140 R C -0.875 175.261 176.300 -0.273 0.000 0.964 140 R CA 0.623 56.482 56.100 -0.401 0.000 0.653 140 R CB -2.098 28.138 30.300 -0.107 0.000 1.043 140 R HN 0.439 nan 8.270 nan 0.000 0.454 141 Q N 0.314 119.905 119.800 -0.350 0.000 2.375 141 Q HA 0.536 4.877 4.340 0.002 0.000 0.271 141 Q C -0.715 175.306 176.000 0.036 0.000 1.074 141 Q CA -0.758 55.013 55.803 -0.054 0.000 0.808 141 Q CB 1.828 30.549 28.738 -0.028 0.000 1.327 141 Q HN 0.327 nan 8.270 nan 0.000 0.441 142 L N 4.131 125.511 121.223 0.262 0.000 2.313 142 L HA 0.354 4.695 4.340 0.002 0.000 0.282 142 L C -0.398 176.592 176.870 0.199 0.000 1.092 142 L CA -0.309 54.737 54.840 0.344 0.000 0.831 142 L CB 0.467 42.747 42.059 0.368 0.000 1.159 142 L HN 0.651 nan 8.230 nan 0.000 0.442 143 I N 3.591 124.270 120.570 0.182 0.000 2.533 143 I HA -0.039 4.132 4.170 0.002 0.000 0.284 143 I C 1.328 177.512 176.117 0.112 0.000 1.109 143 I CA 0.282 61.656 61.300 0.123 0.000 1.412 143 I CB 1.214 39.281 38.000 0.112 0.000 1.396 143 I HN 0.689 nan 8.210 nan 0.000 0.543 144 T N 1.029 115.630 114.554 0.079 0.000 2.971 144 T HA 0.123 4.474 4.350 0.002 0.000 0.252 144 T C 0.504 175.221 174.700 0.028 0.000 1.022 144 T CA -0.459 61.679 62.100 0.064 0.000 0.980 144 T CB 0.121 69.027 68.868 0.063 0.000 1.044 144 T HN 0.612 nan 8.240 nan 0.000 0.501 145 E N 1.774 121.984 120.200 0.017 0.000 2.283 145 E HA 0.209 4.560 4.350 0.002 0.000 0.267 145 E C -0.534 176.050 176.600 -0.027 0.000 1.045 145 E CA -0.638 55.758 56.400 -0.007 0.000 0.884 145 E CB 0.575 30.272 29.700 -0.005 0.000 1.106 145 E HN 0.126 nan 8.360 nan 0.000 0.408 146 E N 0.372 120.542 120.200 -0.050 0.000 2.202 146 E HA -0.261 4.090 4.350 0.002 0.000 0.214 146 E C 0.126 176.667 176.600 -0.098 0.000 1.303 146 E CA 1.044 57.397 56.400 -0.079 0.000 0.714 146 E CB -1.562 28.097 29.700 -0.068 0.000 1.130 146 E HN 0.644 nan 8.360 nan 0.000 0.356 147 R N -0.618 119.821 120.500 -0.101 0.000 2.726 147 R HA 0.480 4.821 4.340 0.002 0.000 0.272 147 R C 0.845 177.001 176.300 -0.241 0.000 1.097 147 R CA -0.618 55.411 56.100 -0.118 0.000 1.198 147 R CB 0.581 30.846 30.300 -0.058 0.000 1.114 147 R HN 0.046 nan 8.270 nan 0.000 0.550 148 I N 1.893 122.282 120.570 -0.302 0.000 2.692 148 I HA 0.112 4.283 4.170 0.002 0.000 0.284 148 I C -1.735 174.087 176.117 -0.492 0.000 1.159 148 I CA -2.039 58.922 61.300 -0.566 0.000 1.423 148 I CB 0.666 38.324 38.000 -0.570 0.000 1.380 148 I HN 0.510 nan 8.210 nan 0.000 0.580 149 P HA 0.067 nan 4.420 nan 0.000 0.270 149 P C -0.853 176.280 177.300 -0.279 0.000 1.223 149 P CA -0.282 62.448 63.100 -0.617 0.000 0.785 149 P CB 0.383 31.262 31.700 -1.368 0.000 0.923 150 N N 1.910 120.540 118.700 -0.118 0.000 2.408 150 N HA 0.082 4.824 4.740 0.002 0.000 0.260 150 N C 0.380 175.981 175.510 0.152 0.000 1.242 150 N CA -0.005 53.022 53.050 -0.037 0.000 0.959 150 N CB -0.209 38.259 38.487 -0.032 0.000 1.201 150 N HN 0.424 nan 8.380 nan 0.000 0.511 151 N N -1.268 117.481 118.700 0.082 0.000 2.741 151 N HA -0.154 4.587 4.740 0.002 0.000 0.250 151 N C -0.820 174.826 175.510 0.227 0.000 1.115 151 N CA 0.703 53.823 53.050 0.117 0.000 0.724 151 N CB -1.748 36.795 38.487 0.094 0.000 1.090 151 N HN 0.474 nan 8.380 nan 0.000 0.558 152 T N 0.939 115.650 114.554 0.261 0.000 2.870 152 T HA 0.110 4.461 4.350 0.002 0.000 0.300 152 T C 1.731 176.586 174.700 0.258 0.000 0.989 152 T CA 0.062 62.342 62.100 0.301 0.000 1.139 152 T CB 1.264 70.236 68.868 0.173 0.000 0.920 152 T HN 0.172 nan 8.240 nan 0.000 0.537 153 Q N 1.912 121.861 119.800 0.248 0.000 2.163 153 Q HA 0.117 4.458 4.340 0.002 0.000 0.198 153 Q C 0.219 176.409 176.000 0.316 0.000 0.954 153 Q CA 0.642 56.623 55.803 0.297 0.000 0.851 153 Q CB 0.599 29.499 28.738 0.270 0.000 0.928 153 Q HN 0.695 nan 8.270 nan 0.000 0.459 154 W N 0.125 121.407 121.300 -0.030 0.000 3.573 154 W HA 0.473 5.134 4.660 0.002 0.000 0.306 154 W C -2.220 174.223 176.519 -0.127 0.000 1.227 154 W CA -0.619 56.660 57.345 -0.110 0.000 1.212 154 W CB 1.276 30.608 29.460 -0.213 0.000 1.331 154 W HN -0.340 nan 8.180 nan 0.000 0.524 155 V N 3.655 122.947 119.914 -1.036 0.000 2.876 155 V HA 0.772 4.893 4.120 0.002 0.000 0.312 155 V C -0.407 175.110 176.094 -0.961 0.000 1.085 155 V CA -0.652 61.147 62.300 -0.836 0.000 0.945 155 V CB 1.852 33.050 31.823 -1.041 0.000 1.017 155 V HN 0.501 nan 8.190 nan 0.000 0.428 156 T N 2.383 116.663 114.554 -0.457 0.000 3.159 156 T HA 0.454 4.805 4.350 0.002 0.000 0.343 156 T C -1.570 173.160 174.700 0.049 0.000 1.364 156 T CA -0.386 61.620 62.100 -0.157 0.000 1.102 156 T CB 0.683 69.695 68.868 0.240 0.000 1.263 156 T HN 0.519 nan 8.240 nan 0.000 0.477 157 W N 2.963 124.313 121.300 0.083 0.000 2.086 157 W HA 0.505 5.166 4.660 0.002 0.000 0.355 157 W C 1.298 177.646 176.519 -0.285 0.000 1.313 157 W CA -0.431 56.898 57.345 -0.026 0.000 1.358 157 W CB 0.551 29.998 29.460 -0.022 0.000 1.166 157 W HN 0.784 nan 8.180 nan 0.000 0.630 158 S N 0.459 115.895 115.700 -0.441 0.000 2.645 158 S HA 0.261 4.732 4.470 0.002 0.000 0.266 158 S C -1.890 172.445 174.600 -0.442 0.000 1.258 158 S CA -1.015 56.402 58.200 -1.305 0.000 0.990 158 S CB 1.100 63.441 63.200 -1.431 0.000 0.967 158 S HN 0.257 nan 8.310 nan 0.000 0.556 159 P HA 0.002 nan 4.420 nan 0.000 0.223 159 P C 1.242 178.500 177.300 -0.071 0.000 1.151 159 P CA 0.826 63.881 63.100 -0.076 0.000 0.787 159 P CB -0.093 31.604 31.700 -0.005 0.000 0.788 160 V N -5.487 114.343 119.914 -0.140 0.000 3.029 160 V HA 0.451 4.572 4.120 0.002 0.000 0.230 160 V C 1.568 177.590 176.094 -0.119 0.000 1.254 160 V CA 0.899 63.139 62.300 -0.099 0.000 1.276 160 V CB -0.950 30.822 31.823 -0.085 0.000 1.080 160 V HN 0.028 nan 8.190 nan 0.000 0.495 161 G N 1.534 110.223 108.800 -0.185 0.000 3.224 161 G HA2 0.220 4.181 3.960 0.002 0.000 0.161 161 G HA3 0.220 4.181 3.960 0.002 0.000 0.161 161 G C 0.681 175.495 174.900 -0.143 0.000 1.872 161 G CA 0.589 45.554 45.100 -0.225 0.000 1.012 161 G HN 1.000 nan 8.290 nan 0.000 0.504 162 H N -0.997 118.090 119.070 0.028 0.000 3.064 162 H HA 0.414 4.971 4.556 0.002 0.000 0.232 162 H C -0.348 175.176 175.328 0.327 0.000 1.308 162 H CA -0.502 55.623 56.048 0.129 0.000 1.010 162 H CB -0.180 29.658 29.762 0.127 0.000 2.408 162 H HN 0.146 nan 8.280 nan 0.000 0.599 163 K N 1.611 122.123 120.400 0.187 0.000 2.168 163 K HA 0.524 4.845 4.320 0.002 0.000 0.258 163 K C -0.433 176.297 176.600 0.217 0.000 1.010 163 K CA -0.469 55.900 56.287 0.137 0.000 0.929 163 K CB 1.688 34.112 32.500 -0.126 0.000 0.998 163 K HN 0.169 nan 8.250 nan 0.000 0.479 164 L N 0.876 122.223 121.223 0.207 0.000 2.422 164 L HA 0.580 4.921 4.340 0.002 0.000 0.264 164 L C -1.097 175.933 176.870 0.268 0.000 0.984 164 L CA -0.934 53.961 54.840 0.092 0.000 0.819 164 L CB 2.191 44.152 42.059 -0.163 0.000 1.330 164 L HN 0.694 nan 8.230 nan 0.000 0.410 165 A N 2.643 125.604 122.820 0.235 0.000 2.359 165 A HA 0.803 5.125 4.320 0.002 0.000 0.303 165 A C -1.588 176.014 177.584 0.029 0.000 1.066 165 A CA -0.382 51.693 52.037 0.063 0.000 0.730 165 A CB 1.135 20.112 19.000 -0.039 0.000 1.211 165 A HN 0.637 nan 8.150 nan 0.000 0.439 166 Y N -0.212 120.062 120.300 -0.042 0.000 2.581 166 Y HA 0.807 5.358 4.550 0.002 0.000 0.345 166 Y C -1.113 174.825 175.900 0.063 0.000 1.036 166 Y CA -1.710 56.354 58.100 -0.059 0.000 1.042 166 Y CB 1.134 39.497 38.460 -0.161 0.000 1.289 166 Y HN 0.382 nan 8.280 nan 0.000 0.471 167 V N 1.997 122.087 119.914 0.294 0.000 2.495 167 V HA 0.400 4.521 4.120 0.002 0.000 0.298 167 V C -1.514 174.835 176.094 0.424 0.000 1.031 167 V CA -0.679 61.764 62.300 0.238 0.000 0.871 167 V CB 1.457 33.309 31.823 0.048 0.000 0.988 167 V HN 0.892 nan 8.190 nan 0.000 0.432 168 W N 5.385 126.821 121.300 0.227 0.000 3.036 168 W HA 0.469 5.130 4.660 0.002 0.000 0.337 168 W C 0.059 176.651 176.519 0.122 0.000 1.055 168 W CA -0.535 56.898 57.345 0.147 0.000 1.248 168 W CB 1.100 30.611 29.460 0.086 0.000 1.335 168 W HN 0.784 nan 8.180 nan 0.000 0.446 169 N N 5.792 124.201 118.700 -0.486 0.000 2.783 169 N HA -0.307 4.434 4.740 0.002 0.000 0.247 169 N C 0.129 175.511 175.510 -0.213 0.000 1.089 169 N CA 0.943 53.686 53.050 -0.512 0.000 0.690 169 N CB -1.203 36.795 38.487 -0.815 0.000 0.991 169 N HN 0.899 nan 8.380 nan 0.000 0.552 170 N N -1.529 117.101 118.700 -0.118 0.000 2.753 170 N HA -0.182 4.559 4.740 0.002 0.000 0.251 170 N C -1.185 174.257 175.510 -0.113 0.000 1.097 170 N CA 1.137 54.131 53.050 -0.094 0.000 0.786 170 N CB -0.365 38.024 38.487 -0.162 0.000 1.137 170 N HN 0.447 nan 8.380 nan 0.000 0.566 171 D N 0.408 120.764 120.400 -0.073 0.000 2.350 171 D HA 0.500 5.141 4.640 0.002 0.000 0.238 171 D C 0.138 176.264 176.300 -0.290 0.000 0.989 171 D CA -0.365 53.497 54.000 -0.230 0.000 0.921 171 D CB 1.585 42.215 40.800 -0.284 0.000 1.297 171 D HN 0.014 nan 8.370 nan 0.000 0.490 172 I N 1.798 122.004 120.570 -0.607 0.000 2.359 172 I HA 0.242 4.413 4.170 0.002 0.000 0.294 172 I C -0.775 174.813 176.117 -0.882 0.000 0.987 172 I CA -0.544 60.384 61.300 -0.620 0.000 1.225 172 I CB 0.616 38.182 38.000 -0.723 0.000 1.366 172 I HN 0.146 nan 8.210 nan 0.000 0.466 173 Y N 4.510 124.415 120.300 -0.658 0.000 2.499 173 Y HA 0.629 5.180 4.550 0.002 0.000 0.347 173 Y C -0.204 175.331 175.900 -0.609 0.000 0.987 173 Y CA -0.948 56.708 58.100 -0.741 0.000 1.044 173 Y CB 2.029 39.730 38.460 -1.264 0.000 1.245 173 Y HN 0.126 nan 8.280 nan 0.000 0.461 174 V N 2.547 122.368 119.914 -0.154 0.000 2.604 174 V HA 0.449 4.570 4.120 0.002 0.000 0.305 174 V C -0.746 175.464 176.094 0.193 0.000 1.043 174 V CA -1.323 60.986 62.300 0.013 0.000 0.888 174 V CB 2.015 33.851 31.823 0.021 0.000 0.995 174 V HN 0.628 nan 8.190 nan 0.000 0.429 175 K N 4.044 124.570 120.400 0.210 0.000 2.579 175 K HA 0.503 4.825 4.320 0.002 0.000 0.225 175 K C 0.734 177.466 176.600 0.220 0.000 0.992 175 K CA -0.381 56.032 56.287 0.211 0.000 1.018 175 K CB 1.008 33.596 32.500 0.146 0.000 1.249 175 K HN 0.618 nan 8.250 nan 0.000 0.489 176 I N 1.142 121.874 120.570 0.269 0.000 2.530 176 I HA -0.191 3.981 4.170 0.002 0.000 0.257 176 I C 0.289 176.532 176.117 0.210 0.000 1.179 176 I CA 1.376 62.807 61.300 0.219 0.000 1.440 176 I CB 0.145 38.275 38.000 0.217 0.000 1.087 176 I HN 0.449 nan 8.210 nan 0.000 0.440 177 E N -0.839 119.463 120.200 0.169 0.000 2.275 177 E HA 0.238 4.589 4.350 0.002 0.000 0.270 177 E C -1.921 174.668 176.600 -0.019 0.000 0.882 177 E CA -1.896 54.570 56.400 0.110 0.000 0.758 177 E CB 1.752 31.511 29.700 0.100 0.000 1.195 177 E HN -0.248 nan 8.360 nan 0.000 0.419 178 P HA -0.206 nan 4.420 nan 0.000 0.218 178 P C 0.796 178.029 177.300 -0.110 0.000 1.150 178 P CA 1.500 64.452 63.100 -0.247 0.000 0.841 178 P CB 0.321 31.629 31.700 -0.654 0.000 0.784 179 N N -2.067 116.590 118.700 -0.071 0.000 2.205 179 N HA 0.035 4.777 4.740 0.002 0.000 0.201 179 N C -0.002 175.498 175.510 -0.016 0.000 1.128 179 N CA 0.131 53.167 53.050 -0.023 0.000 0.867 179 N CB -0.114 38.376 38.487 0.006 0.000 0.996 179 N HN 0.057 nan 8.380 nan 0.000 0.503 180 L N 1.340 122.557 121.223 -0.011 0.000 2.399 180 L HA 0.554 4.895 4.340 0.002 0.000 0.265 180 L C -2.053 174.787 176.870 -0.050 0.000 1.089 180 L CA -2.073 52.758 54.840 -0.014 0.000 0.802 180 L CB 0.529 42.601 42.059 0.021 0.000 1.180 180 L HN -0.112 nan 8.230 nan 0.000 0.454 181 P HA 0.019 nan 4.420 nan 0.000 0.267 181 P C -0.479 176.698 177.300 -0.205 0.000 1.201 181 P CA 0.104 63.115 63.100 -0.147 0.000 0.775 181 P CB 0.535 32.129 31.700 -0.176 0.000 0.854 182 S N 1.429 117.041 115.700 -0.146 0.000 2.645 182 S HA 0.350 4.821 4.470 0.002 0.000 0.266 182 S C -1.097 173.387 174.600 -0.193 0.000 1.258 182 S CA -0.151 58.008 58.200 -0.069 0.000 0.990 182 S CB -0.054 63.183 63.200 0.061 0.000 0.967 182 S HN 0.213 nan 8.310 nan 0.000 0.556 183 Y N 1.369 121.684 120.300 0.025 0.000 2.326 183 Y HA 0.421 4.973 4.550 0.002 0.000 0.331 183 Y C 0.584 176.383 175.900 -0.169 0.000 0.962 183 Y CA -0.703 57.380 58.100 -0.028 0.000 1.167 183 Y CB 1.097 39.538 38.460 -0.032 0.000 1.148 183 Y HN 0.499 nan 8.280 nan 0.000 0.463 184 R N 4.118 124.554 120.500 -0.106 0.000 2.296 184 R HA 0.179 4.520 4.340 0.002 0.000 0.323 184 R C 0.298 176.291 176.300 -0.512 0.000 1.067 184 R CA 0.188 55.899 56.100 -0.649 0.000 0.946 184 R CB 0.574 30.247 30.300 -1.046 0.000 0.991 184 R HN 0.759 nan 8.270 nan 0.000 0.448 185 I N 1.125 121.308 120.570 -0.644 0.000 2.731 185 I HA -0.031 4.140 4.170 0.002 0.000 0.260 185 I C 1.319 177.176 176.117 -0.433 0.000 1.138 185 I CA 1.040 62.091 61.300 -0.416 0.000 1.461 185 I CB -0.260 37.467 38.000 -0.455 0.000 1.128 185 I HN 0.387 nan 8.210 nan 0.000 0.438 186 T N -1.448 112.680 114.554 -0.711 0.000 2.908 186 T HA 0.351 4.702 4.350 0.002 0.000 0.290 186 T C -0.948 173.330 174.700 -0.703 0.000 1.034 186 T CA -0.328 61.451 62.100 -0.535 0.000 1.010 186 T CB 1.225 69.763 68.868 -0.550 0.000 1.068 186 T HN 0.168 nan 8.240 nan 0.000 0.481 187 W N 1.000 122.177 121.300 -0.206 0.000 2.324 187 W HA 0.217 4.878 4.660 0.002 0.000 0.316 187 W C 1.917 178.375 176.519 -0.101 0.000 0.927 187 W CA -0.067 57.199 57.345 -0.131 0.000 1.438 187 W CB -0.052 29.352 29.460 -0.093 0.000 1.085 187 W HN 0.777 nan 8.180 nan 0.000 0.532 188 T N -2.288 112.299 114.554 0.055 0.000 3.107 188 T HA 0.288 4.639 4.350 0.002 0.000 0.249 188 T C 1.178 175.861 174.700 -0.028 0.000 1.096 188 T CA 0.208 62.321 62.100 0.022 0.000 1.012 188 T CB -0.200 68.674 68.868 0.009 0.000 0.977 188 T HN 0.014 nan 8.240 nan 0.000 0.527 189 G N 1.322 110.079 108.800 -0.071 0.000 2.305 189 G HA2 0.370 4.332 3.960 0.002 0.000 0.243 189 G HA3 0.370 4.332 3.960 0.002 0.000 0.243 189 G C -0.600 174.237 174.900 -0.105 0.000 1.288 189 G CA -0.501 44.535 45.100 -0.107 0.000 0.901 189 G HN 0.564 nan 8.290 nan 0.000 0.516 190 K N 2.098 122.410 120.400 -0.146 0.000 2.619 190 K HA 0.189 4.510 4.320 0.002 0.000 0.251 190 K C -0.057 176.420 176.600 -0.205 0.000 0.987 190 K CA -0.654 55.551 56.287 -0.136 0.000 0.844 190 K CB 1.337 33.787 32.500 -0.083 0.000 1.237 190 K HN 0.605 nan 8.250 nan 0.000 0.447 191 E N 3.307 123.397 120.200 -0.183 0.000 2.708 191 E HA -0.186 4.165 4.350 0.002 0.000 0.260 191 E C -0.502 176.002 176.600 -0.160 0.000 0.937 191 E CA 1.183 57.474 56.400 -0.181 0.000 0.953 191 E CB 0.269 29.898 29.700 -0.119 0.000 0.915 191 E HN 0.725 nan 8.360 nan 0.000 0.487 192 D N 2.235 122.525 120.400 -0.183 0.000 3.006 192 D HA -0.246 4.395 4.640 0.002 0.000 0.208 192 D C 0.615 176.905 176.300 -0.016 0.000 1.116 192 D CA 1.420 55.417 54.000 -0.005 0.000 0.998 192 D CB -0.423 40.423 40.800 0.076 0.000 1.124 192 D HN 0.422 nan 8.370 nan 0.000 0.413 193 I N -0.518 119.945 120.570 -0.178 0.000 3.518 193 I HA 0.199 4.370 4.170 0.002 0.000 0.260 193 I C 1.026 177.112 176.117 -0.051 0.000 1.148 193 I CA 0.444 61.722 61.300 -0.038 0.000 1.440 193 I CB 0.243 38.231 38.000 -0.020 0.000 1.485 193 I HN -0.122 nan 8.210 nan 0.000 0.456 194 I N 1.125 121.577 120.570 -0.197 0.000 2.382 194 I HA 0.228 4.399 4.170 0.002 0.000 0.286 194 I C -1.373 174.615 176.117 -0.215 0.000 1.002 194 I CA -0.592 60.658 61.300 -0.083 0.000 1.135 194 I CB 1.558 39.547 38.000 -0.019 0.000 1.288 194 I HN -0.030 nan 8.210 nan 0.000 0.448 195 Y N 4.966 125.341 120.300 0.125 0.000 2.331 195 Y HA 0.404 4.955 4.550 0.002 0.000 0.338 195 Y C 0.219 176.148 175.900 0.048 0.000 0.992 195 Y CA -0.855 57.315 58.100 0.117 0.000 1.121 195 Y CB 0.947 39.556 38.460 0.247 0.000 1.184 195 Y HN 0.427 nan 8.280 nan 0.000 0.469 196 N N 2.024 120.757 118.700 0.055 0.000 2.443 196 N HA 0.332 5.073 4.740 0.002 0.000 0.269 196 N C 0.717 176.115 175.510 -0.187 0.000 0.985 196 N CA 0.378 53.366 53.050 -0.104 0.000 0.921 196 N CB 1.885 40.219 38.487 -0.255 0.000 1.195 196 N HN 0.974 nan 8.380 nan 0.000 0.492 197 G N 1.663 110.354 108.800 -0.180 0.000 2.212 197 G HA2 -0.259 3.702 3.960 0.002 0.000 0.266 197 G HA3 -0.259 3.702 3.960 0.002 0.000 0.266 197 G C 0.154 174.860 174.900 -0.324 0.000 0.978 197 G CA 0.798 45.732 45.100 -0.277 0.000 0.632 197 G HN 0.652 nan 8.290 nan 0.000 0.537 198 I N -1.388 119.062 120.570 -0.200 0.000 2.828 198 I HA 0.793 4.964 4.170 0.002 0.000 0.302 198 I C 0.353 176.458 176.117 -0.021 0.000 1.101 198 I CA -0.571 60.514 61.300 -0.360 0.000 1.031 198 I CB 2.046 39.644 38.000 -0.669 0.000 1.231 198 I HN 0.183 nan 8.210 nan 0.000 0.427 199 T N -0.021 114.456 114.554 -0.129 0.000 2.849 199 T HA 0.336 4.687 4.350 0.002 0.000 0.284 199 T C -0.114 174.361 174.700 -0.375 0.000 1.004 199 T CA -0.602 61.320 62.100 -0.296 0.000 1.021 199 T CB 1.272 70.020 68.868 -0.200 0.000 1.013 199 T HN 0.774 nan 8.240 nan 0.000 0.527 200 D N 0.019 119.983 120.400 -0.727 0.000 2.506 200 D HA 0.046 4.687 4.640 0.002 0.000 0.272 200 D C 0.963 177.172 176.300 -0.153 0.000 1.214 200 D CA -1.089 52.478 54.000 -0.721 0.000 1.067 200 D CB 0.122 40.457 40.800 -0.775 0.000 1.117 200 D HN 0.692 nan 8.370 nan 0.000 0.578 201 W N 0.203 121.444 121.300 -0.100 0.000 2.317 201 W HA -0.239 4.422 4.660 0.002 0.000 0.318 201 W C 2.182 178.602 176.519 -0.166 0.000 1.227 201 W CA 2.554 59.840 57.345 -0.099 0.000 1.269 201 W CB -0.516 28.834 29.460 -0.184 0.000 1.155 201 W HN 0.194 nan 8.180 nan 0.000 0.484 202 V N -0.265 119.662 119.914 0.022 0.000 2.358 202 V HA -0.293 3.828 4.120 0.002 0.000 0.246 202 V C 1.956 177.847 176.094 -0.338 0.000 1.047 202 V CA 2.057 64.237 62.300 -0.201 0.000 1.035 202 V CB -0.799 30.963 31.823 -0.101 0.000 0.658 202 V HN 0.281 nan 8.190 nan 0.000 0.452 203 Y N 0.673 120.768 120.300 -0.341 0.000 2.274 203 Y HA -0.190 4.361 4.550 0.002 0.000 0.290 203 Y C 2.588 178.357 175.900 -0.218 0.000 1.145 203 Y CA 2.145 60.052 58.100 -0.322 0.000 1.203 203 Y CB -0.108 38.049 38.460 -0.504 0.000 0.984 203 Y HN 0.390 nan 8.280 nan 0.000 0.533 204 E N 0.267 120.402 120.200 -0.107 0.000 2.031 204 E HA -0.287 4.064 4.350 0.002 0.000 0.193 204 E C 2.051 178.577 176.600 -0.125 0.000 0.994 204 E CA 1.523 57.884 56.400 -0.065 0.000 0.800 204 E CB -0.016 29.664 29.700 -0.033 0.000 0.752 204 E HN 0.419 nan 8.360 nan 0.000 0.447 205 E N 0.097 120.054 120.200 -0.405 0.000 2.072 205 E HA -0.167 4.185 4.350 0.002 0.000 0.190 205 E C 1.813 178.258 176.600 -0.258 0.000 0.982 205 E CA 1.390 57.540 56.400 -0.416 0.000 0.803 205 E CB 0.133 29.215 29.700 -1.031 0.000 0.755 205 E HN 0.183 nan 8.360 nan 0.000 0.453 206 E N -0.445 119.567 120.200 -0.314 0.000 2.132 206 E HA 0.003 4.355 4.350 0.002 0.000 0.193 206 E C 2.102 178.547 176.600 -0.258 0.000 0.951 206 E CA 1.226 57.487 56.400 -0.232 0.000 0.843 206 E CB -0.167 29.365 29.700 -0.280 0.000 0.807 206 E HN 0.296 nan 8.360 nan 0.000 0.467 207 V N -1.118 118.570 119.914 -0.376 0.000 2.788 207 V HA 0.077 4.198 4.120 0.002 0.000 0.241 207 V C 1.529 177.364 176.094 -0.432 0.000 1.083 207 V CA 0.722 62.742 62.300 -0.468 0.000 1.103 207 V CB -0.226 31.152 31.823 -0.742 0.000 0.800 207 V HN 0.015 nan 8.190 nan 0.000 0.476 208 F N 0.927 120.856 119.950 -0.035 0.000 2.656 208 F HA 0.443 4.971 4.527 0.002 0.000 0.291 208 F C 1.857 177.596 175.800 -0.100 0.000 1.122 208 F CA 0.740 58.742 58.000 0.003 0.000 1.427 208 F CB -0.180 38.867 39.000 0.078 0.000 1.125 208 F HN 0.226 nan 8.300 nan 0.000 0.583 209 S N 0.040 115.720 115.700 -0.033 0.000 3.641 209 S HA -0.061 4.410 4.470 0.002 0.000 0.346 209 S C -0.108 174.022 174.600 -0.783 0.000 1.074 209 S CA 0.334 58.374 58.200 -0.266 0.000 1.026 209 S CB -1.389 61.750 63.200 -0.102 0.000 0.908 209 S HN 0.672 nan 8.310 nan 0.000 0.479 210 A N -0.375 122.190 122.820 -0.424 0.000 2.610 210 A HA 0.694 5.015 4.320 0.002 0.000 0.291 210 A C -0.328 177.192 177.584 -0.108 0.000 1.086 210 A CA -0.177 51.654 52.037 -0.344 0.000 0.677 210 A CB 0.271 19.127 19.000 -0.241 0.000 1.278 210 A HN 0.554 nan 8.150 nan 0.000 0.414 211 Y N 1.239 121.371 120.300 -0.281 0.000 2.347 211 Y HA 0.210 4.761 4.550 0.002 0.000 0.294 211 Y C 1.540 177.153 175.900 -0.479 0.000 1.117 211 Y CA 1.082 59.034 58.100 -0.247 0.000 1.184 211 Y CB -0.088 38.288 38.460 -0.139 0.000 1.047 211 Y HN 0.629 nan 8.280 nan 0.000 0.546 212 S N 0.648 115.792 115.700 -0.926 0.000 2.533 212 S HA 0.421 4.893 4.470 0.002 0.000 0.282 212 S C 0.335 174.343 174.600 -0.986 0.000 1.304 212 S CA 0.207 57.599 58.200 -1.346 0.000 1.063 212 S CB 0.306 62.211 63.200 -2.158 0.000 0.881 212 S HN 0.444 nan 8.310 nan 0.000 0.493 213 A N 4.734 126.996 122.820 -0.930 0.000 2.812 213 A HA 0.512 4.833 4.320 0.002 0.000 0.294 213 A C -0.781 176.046 177.584 -1.262 0.000 1.014 213 A CA -0.605 50.817 52.037 -1.024 0.000 1.024 213 A CB -0.342 18.498 19.000 -0.268 0.000 1.162 213 A HN 0.765 nan 8.150 nan 0.000 0.511 214 L N -4.479 115.911 121.223 -1.387 0.000 2.401 214 L HA 0.865 5.206 4.340 0.002 0.000 0.266 214 L C -1.192 175.160 176.870 -0.864 0.000 0.991 214 L CA -1.278 53.051 54.840 -0.852 0.000 0.818 214 L CB 1.004 42.803 42.059 -0.433 0.000 1.321 214 L HN 0.227 nan 8.230 nan 0.000 0.413 215 W N 1.788 123.125 121.300 0.061 0.000 2.631 215 W HA 0.325 4.986 4.660 0.002 0.000 0.321 215 W C -1.306 175.478 176.519 0.442 0.000 1.004 215 W CA -0.811 56.697 57.345 0.271 0.000 1.291 215 W CB 1.392 31.033 29.460 0.301 0.000 1.300 215 W HN 0.624 nan 8.180 nan 0.000 0.422 216 W N 2.188 123.736 121.300 0.414 0.000 2.112 216 W HA 0.209 4.870 4.660 0.002 0.000 0.349 216 W C 1.322 177.786 176.519 -0.091 0.000 1.289 216 W CA 0.487 57.956 57.345 0.207 0.000 1.256 216 W CB 0.727 30.258 29.460 0.119 0.000 1.148 216 W HN 0.187 nan 8.180 nan 0.000 0.590 217 S N 1.650 117.208 115.700 -0.236 0.000 2.652 217 S HA 0.330 4.801 4.470 0.002 0.000 0.270 217 S C -1.803 172.564 174.600 -0.388 0.000 1.243 217 S CA -1.153 56.323 58.200 -1.206 0.000 0.999 217 S CB 1.441 63.879 63.200 -1.269 0.000 0.973 217 S HN 0.251 nan 8.310 nan 0.000 0.544 218 P HA -0.202 nan 4.420 nan 0.000 0.219 218 P C 0.782 178.051 177.300 -0.052 0.000 1.161 218 P CA 1.811 64.873 63.100 -0.063 0.000 0.909 218 P CB -0.220 31.481 31.700 0.002 0.000 0.793 219 N N -1.979 116.679 118.700 -0.070 0.000 2.251 219 N HA 0.123 4.865 4.740 0.002 0.000 0.217 219 N C 1.092 176.543 175.510 -0.099 0.000 1.124 219 N CA 0.433 53.442 53.050 -0.068 0.000 0.843 219 N CB -0.770 37.690 38.487 -0.046 0.000 1.024 219 N HN 0.230 nan 8.380 nan 0.000 0.501 220 G N -0.434 108.314 108.800 -0.087 0.000 2.189 220 G HA2 -0.394 3.567 3.960 0.002 0.000 0.267 220 G HA3 -0.394 3.567 3.960 0.002 0.000 0.267 220 G C 1.033 176.002 174.900 0.115 0.000 0.975 220 G CA 1.054 46.107 45.100 -0.078 0.000 0.644 220 G HN 0.401 nan 8.290 nan 0.000 0.537 221 T N 0.057 114.595 114.554 -0.026 0.000 2.674 221 T HA 0.131 4.483 4.350 0.002 0.000 0.265 221 T C 0.937 175.533 174.700 -0.174 0.000 1.039 221 T CA 1.442 63.435 62.100 -0.177 0.000 1.150 221 T CB -0.114 68.514 68.868 -0.400 0.000 0.864 221 T HN 0.283 nan 8.240 nan 0.000 0.427 222 F N 0.207 120.190 119.950 0.055 0.000 2.432 222 F HA 0.624 5.152 4.527 0.002 0.000 0.329 222 F C -0.163 175.704 175.800 0.110 0.000 1.076 222 F CA -1.570 56.484 58.000 0.090 0.000 1.018 222 F CB 1.097 40.189 39.000 0.153 0.000 1.201 222 F HN -0.081 nan 8.300 nan 0.000 0.489 223 L N 2.625 124.008 121.223 0.267 0.000 2.406 223 L HA 0.773 5.114 4.340 0.002 0.000 0.270 223 L C -0.704 176.236 176.870 0.116 0.000 0.982 223 L CA -0.413 54.409 54.840 -0.030 0.000 0.843 223 L CB 0.831 42.589 42.059 -0.501 0.000 1.225 223 L HN 0.661 nan 8.230 nan 0.000 0.412 224 A N 4.505 127.467 122.820 0.237 0.000 2.295 224 A HA 0.810 5.131 4.320 0.002 0.000 0.318 224 A C -1.351 176.237 177.584 0.005 0.000 1.134 224 A CA -0.209 51.801 52.037 -0.046 0.000 0.827 224 A CB 0.604 19.641 19.000 0.061 0.000 1.136 224 A HN 0.888 nan 8.150 nan 0.000 0.493 225 Y N -2.102 117.947 120.300 -0.419 0.000 2.624 225 Y HA 0.745 5.296 4.550 0.002 0.000 0.334 225 Y C -0.343 175.391 175.900 -0.275 0.000 1.155 225 Y CA -0.877 57.076 58.100 -0.245 0.000 1.046 225 Y CB 0.844 39.133 38.460 -0.285 0.000 1.316 225 Y HN 0.924 nan 8.280 nan 0.000 0.457 226 A N 1.887 124.796 122.820 0.148 0.000 2.311 226 A HA 0.711 5.032 4.320 0.002 0.000 0.334 226 A C -1.230 176.250 177.584 -0.174 0.000 1.139 226 A CA -0.862 51.158 52.037 -0.028 0.000 0.830 226 A CB 1.849 20.805 19.000 -0.074 0.000 1.234 226 A HN 0.791 nan 8.150 nan 0.000 0.483 227 Q N 0.863 120.477 119.800 -0.311 0.000 2.304 227 Q HA 0.582 4.923 4.340 0.002 0.000 0.270 227 Q C -2.081 173.684 176.000 -0.392 0.000 1.035 227 Q CA -0.340 55.357 55.803 -0.176 0.000 0.781 227 Q CB 1.159 29.992 28.738 0.159 0.000 1.261 227 Q HN 0.602 nan 8.270 nan 0.000 0.444 228 F N 2.101 122.154 119.950 0.171 0.000 2.480 228 F HA 0.438 4.966 4.527 0.002 0.000 0.329 228 F C 0.470 176.432 175.800 0.270 0.000 1.091 228 F CA -0.904 57.190 58.000 0.155 0.000 0.972 228 F CB 1.396 40.417 39.000 0.034 0.000 1.150 228 F HN 0.406 nan 8.300 nan 0.000 0.467 229 N N 1.720 120.656 118.700 0.393 0.000 2.483 229 N HA 0.209 4.950 4.740 0.002 0.000 0.267 229 N C -0.886 174.809 175.510 0.308 0.000 0.998 229 N CA -0.287 52.944 53.050 0.301 0.000 0.918 229 N CB 1.117 39.725 38.487 0.201 0.000 1.215 229 N HN 0.552 nan 8.380 nan 0.000 0.500 230 D N 1.508 122.112 120.400 0.339 0.000 2.368 230 D HA 0.116 4.757 4.640 0.002 0.000 0.218 230 D C 1.320 177.739 176.300 0.200 0.000 1.112 230 D CA 0.171 54.351 54.000 0.300 0.000 0.834 230 D CB 0.521 41.574 40.800 0.422 0.000 0.953 230 D HN 0.479 nan 8.370 nan 0.000 0.505 231 T N 0.634 115.282 114.554 0.157 0.000 2.624 231 T HA -0.241 4.110 4.350 0.002 0.000 0.266 231 T C 1.156 175.914 174.700 0.096 0.000 1.050 231 T CA 1.434 63.599 62.100 0.108 0.000 1.163 231 T CB -0.070 68.851 68.868 0.089 0.000 0.861 231 T HN 0.319 nan 8.240 nan 0.000 0.443 232 E N 0.523 120.783 120.200 0.099 0.000 2.437 232 E HA 0.198 4.550 4.350 0.002 0.000 0.195 232 E C -0.676 175.978 176.600 0.091 0.000 1.029 232 E CA -0.233 56.216 56.400 0.082 0.000 0.948 232 E CB 0.566 30.307 29.700 0.068 0.000 1.082 232 E HN 0.227 nan 8.360 nan 0.000 0.456 233 V N 3.113 123.096 119.914 0.115 0.000 2.461 233 V HA 0.153 4.274 4.120 0.002 0.000 0.275 233 V C -2.003 174.155 176.094 0.106 0.000 1.047 233 V CA -1.762 60.611 62.300 0.123 0.000 0.955 233 V CB 0.667 32.586 31.823 0.160 0.000 0.988 233 V HN 0.060 nan 8.190 nan 0.000 0.471 234 P HA 0.217 nan 4.420 nan 0.000 0.270 234 P C -0.684 176.659 177.300 0.072 0.000 1.223 234 P CA -0.123 63.019 63.100 0.070 0.000 0.785 234 P CB 0.496 32.235 31.700 0.064 0.000 0.923 235 L N 1.873 123.114 121.223 0.030 0.000 2.334 235 L HA 0.510 4.851 4.340 0.002 0.000 0.275 235 L C 0.165 176.989 176.870 -0.076 0.000 1.036 235 L CA -0.961 53.880 54.840 0.001 0.000 0.807 235 L CB 1.102 43.154 42.059 -0.010 0.000 1.231 235 L HN 0.270 nan 8.230 nan 0.000 0.438 236 I N 1.828 122.310 120.570 -0.147 0.000 2.359 236 I HA 0.305 4.476 4.170 0.002 0.000 0.294 236 I C -0.532 175.439 176.117 -0.245 0.000 0.987 236 I CA -0.009 61.103 61.300 -0.313 0.000 1.225 236 I CB 1.203 38.786 38.000 -0.694 0.000 1.366 236 I HN 0.560 nan 8.210 nan 0.000 0.466 237 E N 7.506 127.577 120.200 -0.215 0.000 2.210 237 E HA 0.533 4.884 4.350 0.002 0.000 0.266 237 E C -1.788 174.734 176.600 -0.130 0.000 0.883 237 E CA -0.593 55.674 56.400 -0.221 0.000 0.761 237 E CB 2.083 31.684 29.700 -0.164 0.000 1.156 237 E HN 0.554 nan 8.360 nan 0.000 0.412 238 Y N -1.707 118.503 120.300 -0.151 0.000 2.609 238 Y HA 0.546 5.097 4.550 0.002 0.000 0.336 238 Y C -0.615 175.215 175.900 -0.117 0.000 1.129 238 Y CA -1.309 56.711 58.100 -0.133 0.000 1.040 238 Y CB 0.809 39.196 38.460 -0.122 0.000 1.310 238 Y HN 0.205 nan 8.280 nan 0.000 0.460 239 S N 1.704 117.386 115.700 -0.030 0.000 2.584 239 S HA 0.480 4.951 4.470 0.002 0.000 0.273 239 S C -1.424 173.026 174.600 -0.250 0.000 1.311 239 S CA -0.346 57.689 58.200 -0.274 0.000 1.034 239 S CB 0.428 63.304 63.200 -0.540 0.000 0.939 239 S HN 0.532 nan 8.310 nan 0.000 0.513 240 F N 2.355 122.030 119.950 -0.459 0.000 2.499 240 F HA 0.424 4.953 4.527 0.002 0.000 0.333 240 F C -0.375 175.205 175.800 -0.366 0.000 1.138 240 F CA -0.973 56.871 58.000 -0.259 0.000 0.945 240 F CB 0.717 39.675 39.000 -0.071 0.000 1.181 240 F HN 0.639 nan 8.300 nan 0.000 0.435 241 Y N 2.743 122.796 120.300 -0.412 0.000 2.475 241 Y HA 0.108 4.659 4.550 0.002 0.000 0.289 241 Y C 1.800 177.581 175.900 -0.199 0.000 1.121 241 Y CA 1.020 58.977 58.100 -0.238 0.000 1.257 241 Y CB -0.695 37.635 38.460 -0.217 0.000 1.026 241 Y HN 0.738 nan 8.280 nan 0.000 0.555 242 S N -0.210 115.308 115.700 -0.305 0.000 3.109 242 S HA -0.240 4.231 4.470 0.002 0.000 0.632 242 S C -0.401 174.220 174.600 0.034 0.000 2.927 242 S CA 0.534 58.735 58.200 0.001 0.000 3.233 242 S CB -1.157 62.198 63.200 0.259 0.000 0.325 242 S HN 0.480 nan 8.310 nan 0.000 1.720 243 D N 1.713 122.164 120.400 0.085 0.000 2.423 243 D HA 0.144 4.785 4.640 0.002 0.000 0.238 243 D C 1.381 177.707 176.300 0.044 0.000 1.142 243 D CA 0.495 54.531 54.000 0.059 0.000 0.884 243 D CB 0.322 41.161 40.800 0.064 0.000 1.199 243 D HN 0.616 nan 8.370 nan 0.000 0.438 244 E N 0.924 121.140 120.200 0.027 0.000 2.169 244 E HA -0.278 4.074 4.350 0.002 0.000 0.202 244 E C 1.512 178.125 176.600 0.022 0.000 1.016 244 E CA 1.726 58.136 56.400 0.016 0.000 0.817 244 E CB 0.125 29.829 29.700 0.007 0.000 0.736 244 E HN 0.470 nan 8.360 nan 0.000 0.462 245 S N 0.112 115.830 115.700 0.030 0.000 2.507 245 S HA -0.080 4.391 4.470 0.002 0.000 0.235 245 S C 1.139 175.766 174.600 0.045 0.000 0.988 245 S CA 0.048 58.267 58.200 0.032 0.000 0.944 245 S CB -0.212 63.008 63.200 0.033 0.000 0.762 245 S HN 0.276 nan 8.310 nan 0.000 0.526 246 L N 2.397 123.655 121.223 0.057 0.000 2.485 246 L HA 0.121 4.463 4.340 0.002 0.000 0.279 246 L C 1.612 178.525 176.870 0.072 0.000 1.124 246 L CA -0.019 54.868 54.840 0.078 0.000 0.888 246 L CB 0.753 42.867 42.059 0.092 0.000 1.217 246 L HN 0.427 nan 8.230 nan 0.000 0.464 247 Q N 4.019 123.876 119.800 0.094 0.000 2.046 247 Q HA -0.122 4.219 4.340 0.002 0.000 0.200 247 Q C -0.561 175.432 176.000 -0.011 0.000 0.975 247 Q CA 1.452 57.288 55.803 0.055 0.000 0.836 247 Q CB 0.197 29.018 28.738 0.139 0.000 0.896 247 Q HN 0.578 nan 8.270 nan 0.000 0.428 248 Y N 0.492 120.799 120.300 0.013 0.000 2.335 248 Y HA 0.376 4.927 4.550 0.002 0.000 0.338 248 Y C -2.045 173.854 175.900 -0.002 0.000 0.977 248 Y CA -3.011 55.092 58.100 0.005 0.000 1.114 248 Y CB 1.238 39.694 38.460 -0.007 0.000 1.182 248 Y HN 0.148 nan 8.280 nan 0.000 0.463 249 P HA 0.066 nan 4.420 nan 0.000 0.268 249 P C -0.958 176.335 177.300 -0.011 0.000 1.208 249 P CA -0.437 62.655 63.100 -0.014 0.000 0.777 249 P CB 0.538 32.154 31.700 -0.141 0.000 0.875 250 K N -0.019 120.363 120.400 -0.030 0.000 2.118 250 K HA 0.566 4.887 4.320 0.002 0.000 0.254 250 K C -0.769 175.778 176.600 -0.088 0.000 0.961 250 K CA -0.701 55.571 56.287 -0.025 0.000 0.876 250 K CB 0.603 33.111 32.500 0.015 0.000 1.077 250 K HN 0.173 nan 8.250 nan 0.000 0.440 251 T N 1.869 116.359 114.554 -0.106 0.000 2.753 251 T HA 0.194 4.545 4.350 0.002 0.000 0.297 251 T C -0.239 174.332 174.700 -0.214 0.000 0.981 251 T CA -0.690 61.311 62.100 -0.165 0.000 0.956 251 T CB 0.860 69.647 68.868 -0.134 0.000 0.936 251 T HN 0.345 nan 8.240 nan 0.000 0.463 252 V N 6.301 125.999 119.914 -0.361 0.000 2.498 252 V HA 0.476 4.597 4.120 0.002 0.000 0.279 252 V C 0.430 176.251 176.094 -0.455 0.000 1.048 252 V CA -0.580 61.467 62.300 -0.422 0.000 0.967 252 V CB 0.502 31.961 31.823 -0.607 0.000 0.988 252 V HN 0.773 nan 8.190 nan 0.000 0.473 253 R N 4.489 124.853 120.500 -0.227 0.000 2.532 253 R HA 0.788 5.129 4.340 0.002 0.000 0.297 253 R C -1.548 174.738 176.300 -0.023 0.000 0.984 253 R CA -0.590 55.417 56.100 -0.155 0.000 0.884 253 R CB 1.691 31.927 30.300 -0.107 0.000 1.182 253 R HN 0.499 nan 8.270 nan 0.000 0.442 254 V N 0.999 120.913 119.914 0.000 0.000 2.789 254 V HA 0.582 4.703 4.120 0.002 0.000 0.311 254 V C -2.823 173.336 176.094 0.109 0.000 1.073 254 V CA -2.499 59.876 62.300 0.125 0.000 0.921 254 V CB 2.695 34.632 31.823 0.191 0.000 1.009 254 V HN 0.599 nan 8.190 nan 0.000 0.426 255 P HA 0.236 nan 4.420 nan 0.000 0.264 255 P C -1.767 175.662 177.300 0.214 0.000 1.229 255 P CA 0.620 63.840 63.100 0.201 0.000 0.780 255 P CB -0.357 31.506 31.700 0.271 0.000 0.808 256 Y N 6.649 126.947 120.300 -0.004 0.000 2.315 256 Y HA 0.389 4.940 4.550 0.002 0.000 0.324 256 Y C -2.749 173.148 175.900 -0.005 0.000 1.062 256 Y CA -2.905 55.157 58.100 -0.064 0.000 1.159 256 Y CB 1.827 40.129 38.460 -0.264 0.000 1.145 256 Y HN 0.280 nan 8.280 nan 0.000 0.442 257 P HA 0.272 nan 4.420 nan 0.000 0.292 257 P C -1.044 176.335 177.300 0.131 0.000 1.326 257 P CA -0.268 62.902 63.100 0.116 0.000 0.787 257 P CB 1.561 33.306 31.700 0.075 0.000 0.903 258 K N 1.974 122.520 120.400 0.243 0.000 2.098 258 K HA 0.530 4.851 4.320 0.002 0.000 0.244 258 K C 0.457 177.169 176.600 0.186 0.000 1.014 258 K CA -0.801 55.650 56.287 0.273 0.000 0.917 258 K CB 0.715 33.386 32.500 0.285 0.000 1.072 258 K HN 0.450 nan 8.250 nan 0.000 0.477 259 A N 0.877 123.831 122.820 0.223 0.000 2.583 259 A HA 0.226 4.547 4.320 0.002 0.000 0.249 259 A C 1.209 178.832 177.584 0.065 0.000 1.035 259 A CA 1.201 53.349 52.037 0.184 0.000 0.777 259 A CB -1.361 17.820 19.000 0.302 0.000 0.942 259 A HN 0.924 nan 8.150 nan 0.000 0.516 260 G N 1.096 109.928 108.800 0.053 0.000 2.225 260 G HA2 0.103 4.064 3.960 0.002 0.000 0.254 260 G HA3 0.103 4.064 3.960 0.002 0.000 0.254 260 G C 0.758 175.677 174.900 0.031 0.000 0.988 260 G CA 0.760 45.866 45.100 0.010 0.000 0.625 260 G HN 2.221 nan 8.290 nan 0.000 0.527 261 A N -0.215 122.640 122.820 0.059 0.000 2.292 261 A HA 0.679 5.000 4.320 0.002 0.000 0.265 261 A C 0.900 178.522 177.584 0.063 0.000 1.133 261 A CA 0.484 52.560 52.037 0.065 0.000 0.807 261 A CB 0.426 19.481 19.000 0.091 0.000 1.102 261 A HN 1.186 nan 8.150 nan 0.000 0.502 262 V N 2.428 122.380 119.914 0.064 0.000 2.521 262 V HA 0.064 4.185 4.120 0.002 0.000 0.286 262 V C 0.288 176.433 176.094 0.085 0.000 1.034 262 V CA -0.323 62.015 62.300 0.064 0.000 1.045 262 V CB -0.056 31.804 31.823 0.062 0.000 0.974 262 V HN 0.786 nan 8.190 nan 0.000 0.480 263 N N 6.278 125.028 118.700 0.082 0.000 2.463 263 N HA 0.466 5.207 4.740 0.002 0.000 0.270 263 N C -2.302 173.301 175.510 0.154 0.000 1.205 263 N CA -1.392 51.732 53.050 0.123 0.000 0.974 263 N CB 0.889 39.447 38.487 0.118 0.000 1.197 263 N HN 0.402 nan 8.380 nan 0.000 0.504 264 P HA 0.145 nan 4.420 nan 0.000 0.274 264 P C -0.551 176.913 177.300 0.273 0.000 1.246 264 P CA -0.170 63.095 63.100 0.275 0.000 0.795 264 P CB 0.465 32.374 31.700 0.348 0.000 1.006 265 T N -2.168 112.532 114.554 0.244 0.000 2.940 265 T HA 0.585 4.936 4.350 0.002 0.000 0.288 265 T C -0.258 174.590 174.700 0.248 0.000 1.033 265 T CA -0.854 61.353 62.100 0.178 0.000 1.033 265 T CB 1.529 70.466 68.868 0.115 0.000 1.079 265 T HN 0.349 nan 8.240 nan 0.000 0.496 266 V N 0.330 120.376 119.914 0.219 0.000 2.914 266 V HA 0.807 4.928 4.120 0.002 0.000 0.314 266 V C -1.516 174.692 176.094 0.190 0.000 1.084 266 V CA -0.867 61.539 62.300 0.176 0.000 0.963 266 V CB 2.011 34.000 31.823 0.277 0.000 1.025 266 V HN 1.030 nan 8.190 nan 0.000 0.432 267 K N 4.055 124.508 120.400 0.089 0.000 2.502 267 K HA 0.539 4.860 4.320 0.002 0.000 0.257 267 K C -2.005 174.602 176.600 0.013 0.000 0.938 267 K CA -0.439 55.892 56.287 0.073 0.000 0.819 267 K CB 2.629 35.191 32.500 0.103 0.000 1.333 267 K HN 0.566 nan 8.250 nan 0.000 0.434 268 F N 2.266 122.006 119.950 -0.350 0.000 2.508 268 F HA 0.605 5.133 4.527 0.002 0.000 0.325 268 F C -1.327 173.954 175.800 -0.865 0.000 1.090 268 F CA -0.708 57.039 58.000 -0.421 0.000 0.945 268 F CB 0.864 39.707 39.000 -0.262 0.000 1.156 268 F HN 0.375 nan 8.300 nan 0.000 0.463 269 F N 3.455 122.674 119.950 -1.219 0.000 2.601 269 F HA 0.691 5.220 4.527 0.002 0.000 0.309 269 F C -1.074 174.004 175.800 -1.203 0.000 1.089 269 F CA -1.134 56.218 58.000 -1.080 0.000 0.940 269 F CB 2.168 40.440 39.000 -1.214 0.000 1.273 269 F HN 0.085 nan 8.300 nan 0.000 0.450 270 V N 3.234 122.850 119.914 -0.496 0.000 2.482 270 V HA 0.545 4.666 4.120 0.002 0.000 0.295 270 V C -0.922 175.189 176.094 0.028 0.000 1.026 270 V CA -0.760 61.329 62.300 -0.352 0.000 0.856 270 V CB 1.707 33.084 31.823 -0.743 0.000 1.001 270 V HN 0.622 nan 8.190 nan 0.000 0.424 271 V N 4.351 124.354 119.914 0.147 0.000 2.881 271 V HA 0.554 4.675 4.120 0.002 0.000 0.316 271 V C -0.090 176.199 176.094 0.326 0.000 1.070 271 V CA -0.682 61.752 62.300 0.223 0.000 0.976 271 V CB 2.176 34.091 31.823 0.154 0.000 1.038 271 V HN 0.987 nan 8.190 nan 0.000 0.446 272 N N 2.003 120.844 118.700 0.235 0.000 2.527 272 N HA 0.203 4.944 4.740 0.002 0.000 0.236 272 N C 0.821 176.307 175.510 -0.041 0.000 0.999 272 N CA 0.175 53.272 53.050 0.079 0.000 0.935 272 N CB 0.981 39.477 38.487 0.016 0.000 1.132 272 N HN 0.876 nan 8.380 nan 0.000 0.511 273 T N -0.278 114.253 114.554 -0.039 0.000 3.427 273 T HA 0.006 4.357 4.350 0.002 0.000 0.256 273 T C 0.289 174.934 174.700 -0.091 0.000 1.172 273 T CA 0.448 62.520 62.100 -0.047 0.000 1.018 273 T CB -0.006 68.930 68.868 0.113 0.000 0.981 273 T HN 0.422 nan 8.240 nan 0.000 0.555 274 D N 0.324 120.648 120.400 -0.127 0.000 2.473 274 D HA 0.144 4.785 4.640 0.002 0.000 0.230 274 D C 0.596 176.835 176.300 -0.101 0.000 1.097 274 D CA 0.127 54.056 54.000 -0.117 0.000 0.861 274 D CB 0.549 41.265 40.800 -0.140 0.000 1.114 274 D HN 0.333 nan 8.370 nan 0.000 0.500 275 S N 1.377 117.021 115.700 -0.094 0.000 2.489 275 S HA 0.260 4.731 4.470 0.002 0.000 0.237 275 S C 0.303 174.862 174.600 -0.068 0.000 1.220 275 S CA -0.412 57.757 58.200 -0.052 0.000 1.231 275 S CB -0.244 62.949 63.200 -0.011 0.000 0.900 275 S HN 0.228 nan 8.310 nan 0.000 0.492 276 L N -0.667 120.466 121.223 -0.149 0.000 2.372 276 L HA 0.666 5.007 4.340 0.002 0.000 0.274 276 L C 0.712 177.480 176.870 -0.169 0.000 0.988 276 L CA -0.774 53.936 54.840 -0.218 0.000 0.833 276 L CB 1.329 43.119 42.059 -0.448 0.000 1.236 276 L HN 0.222 nan 8.230 nan 0.000 0.410 277 S N 3.489 119.210 115.700 0.036 0.000 2.404 277 S HA -0.024 4.447 4.470 0.002 0.000 0.191 277 S C 0.964 175.804 174.600 0.400 0.000 1.254 277 S CA 1.237 59.537 58.200 0.166 0.000 1.821 277 S CB -0.498 62.778 63.200 0.126 0.000 0.822 277 S HN 1.477 nan 8.310 nan 0.000 0.370 278 S N -2.317 113.584 115.700 0.335 0.000 4.652 278 S HA 0.018 4.490 4.470 0.002 0.000 0.043 278 S C 0.287 174.972 174.600 0.141 0.000 0.859 278 S CA 0.147 58.491 58.200 0.241 0.000 0.938 278 S CB -1.178 62.098 63.200 0.126 0.000 0.398 278 S HN 0.666 nan 8.310 nan 0.000 0.800 279 V N 0.934 120.934 119.914 0.143 0.000 3.305 279 V HA 0.327 4.449 4.120 0.002 0.000 0.247 279 V C 0.913 177.063 176.094 0.094 0.000 1.426 279 V CA 1.035 63.393 62.300 0.097 0.000 1.162 279 V CB 0.431 32.296 31.823 0.071 0.000 0.961 279 V HN 0.522 nan 8.190 nan 0.000 0.449 280 T N 1.812 116.431 114.554 0.108 0.000 2.899 280 T HA 0.349 4.701 4.350 0.002 0.000 0.284 280 T C -0.185 174.593 174.700 0.130 0.000 1.004 280 T CA -0.205 61.947 62.100 0.086 0.000 1.043 280 T CB 0.681 69.593 68.868 0.073 0.000 1.013 280 T HN 0.143 nan 8.240 nan 0.000 0.518 281 N N 1.661 120.416 118.700 0.091 0.000 2.414 281 N HA 0.456 5.197 4.740 0.002 0.000 0.256 281 N C -0.113 175.485 175.510 0.148 0.000 1.029 281 N CA -0.353 52.794 53.050 0.161 0.000 0.948 281 N CB 0.961 39.439 38.487 -0.015 0.000 1.102 281 N HN 0.826 nan 8.380 nan 0.000 0.496 282 A N 2.227 125.152 122.820 0.174 0.000 2.584 282 A HA 0.092 4.413 4.320 0.002 0.000 0.239 282 A C 0.330 177.974 177.584 0.100 0.000 1.043 282 A CA 0.402 52.497 52.037 0.097 0.000 0.756 282 A CB -0.211 18.817 19.000 0.047 0.000 0.963 282 A HN 0.533 nan 8.150 nan 0.000 0.511 283 T N 3.156 117.764 114.554 0.090 0.000 2.744 283 T HA 0.404 4.755 4.350 0.002 0.000 0.291 283 T C 0.154 174.933 174.700 0.132 0.000 0.957 283 T CA -0.026 62.136 62.100 0.104 0.000 1.002 283 T CB 0.626 69.557 68.868 0.105 0.000 0.919 283 T HN 0.564 nan 8.240 nan 0.000 0.468 284 S N 3.588 119.367 115.700 0.131 0.000 2.422 284 S HA 0.392 4.863 4.470 0.002 0.000 0.298 284 S C 0.062 174.827 174.600 0.274 0.000 1.118 284 S CA -0.750 57.553 58.200 0.171 0.000 1.083 284 S CB 0.126 63.374 63.200 0.080 0.000 0.971 284 S HN 0.448 nan 8.310 nan 0.000 0.478 285 I N 3.285 124.008 120.570 0.254 0.000 2.396 285 I HA 0.183 4.355 4.170 0.002 0.000 0.289 285 I C 0.627 176.822 176.117 0.129 0.000 1.056 285 I CA 0.086 61.537 61.300 0.251 0.000 1.365 285 I CB 0.623 38.838 38.000 0.359 0.000 1.407 285 I HN 0.598 nan 8.210 nan 0.000 0.509 286 Q N 6.225 126.056 119.800 0.052 0.000 2.261 286 Q HA 0.507 4.848 4.340 0.002 0.000 0.252 286 Q C -1.024 174.856 176.000 -0.201 0.000 0.915 286 Q CA -0.403 55.178 55.803 -0.370 0.000 0.915 286 Q CB 0.959 29.425 28.738 -0.454 0.000 1.204 286 Q HN 0.560 nan 8.270 nan 0.000 0.421 287 I N 4.157 124.590 120.570 -0.229 0.000 2.355 287 I HA 0.220 4.391 4.170 0.002 0.000 0.288 287 I C 0.612 176.693 176.117 -0.059 0.000 0.999 287 I CA -0.403 60.861 61.300 -0.061 0.000 1.163 287 I CB 1.571 39.575 38.000 0.006 0.000 1.316 287 I HN 0.798 nan 8.210 nan 0.000 0.454 288 T N 3.199 117.693 114.554 -0.100 0.000 2.861 288 T HA 0.826 5.177 4.350 0.002 0.000 0.265 288 T C 0.792 175.297 174.700 -0.324 0.000 1.104 288 T CA 0.240 62.227 62.100 -0.188 0.000 0.987 288 T CB 0.888 69.651 68.868 -0.176 0.000 2.051 288 T HN 0.888 nan 8.240 nan 0.000 0.570 289 A N 0.961 123.530 122.820 -0.417 0.000 6.182 289 A HA -0.028 4.293 4.320 0.002 0.000 0.285 289 A C -2.419 174.612 177.584 -0.923 0.000 1.979 289 A CA 0.314 52.045 52.037 -0.510 0.000 0.740 289 A CB -2.812 16.009 19.000 -0.298 0.000 1.172 289 A HN 0.863 nan 8.150 nan 0.000 0.388 290 P HA 0.460 nan 4.420 nan 0.000 0.274 290 P C 0.987 178.088 177.300 -0.331 0.000 1.256 290 P CA 0.597 63.471 63.100 -0.376 0.000 0.795 290 P CB 0.493 32.044 31.700 -0.248 0.000 1.038 291 A N 0.948 123.645 122.820 -0.205 0.000 1.898 291 A HA -0.152 4.169 4.320 0.002 0.000 0.216 291 A C 1.977 179.469 177.584 -0.153 0.000 1.181 291 A CA 2.179 54.114 52.037 -0.170 0.000 0.620 291 A CB -1.901 17.031 19.000 -0.114 0.000 0.819 291 A HN 0.598 nan 8.150 nan 0.000 0.442 292 S N -1.856 113.781 115.700 -0.104 0.000 2.584 292 S HA -0.036 4.435 4.470 0.002 0.000 0.240 292 S C 1.440 176.000 174.600 -0.068 0.000 0.975 292 S CA 1.646 59.812 58.200 -0.057 0.000 0.949 292 S CB -0.197 63.045 63.200 0.071 0.000 0.761 292 S HN 0.431 nan 8.310 nan 0.000 0.536 293 M N 0.073 119.567 119.600 -0.176 0.000 2.638 293 M HA 0.489 4.970 4.480 0.002 0.000 0.256 293 M C 1.439 177.510 176.300 -0.382 0.000 1.282 293 M CA 0.636 55.788 55.300 -0.245 0.000 1.155 293 M CB 0.062 32.429 32.600 -0.389 0.000 1.345 293 M HN 0.201 nan 8.290 nan 0.000 0.523 294 L N 0.768 121.742 121.223 -0.415 0.000 2.362 294 L HA -0.096 4.245 4.340 0.002 0.000 0.219 294 L C 2.138 178.928 176.870 -0.133 0.000 1.134 294 L CA 0.691 55.335 54.840 -0.327 0.000 0.807 294 L CB -0.858 41.032 42.059 -0.282 0.000 0.927 294 L HN 0.426 nan 8.230 nan 0.000 0.447 295 I N -2.361 118.140 120.570 -0.116 0.000 2.423 295 I HA -0.034 4.138 4.170 0.002 0.000 0.254 295 I C 1.123 177.221 176.117 -0.030 0.000 1.151 295 I CA 1.184 62.443 61.300 -0.070 0.000 1.421 295 I CB -0.583 37.370 38.000 -0.078 0.000 1.079 295 I HN 0.147 nan 8.210 nan 0.000 0.431 296 G N 0.044 108.846 108.800 0.003 0.000 2.731 296 G HA2 0.259 4.220 3.960 0.002 0.000 0.309 296 G HA3 0.259 4.220 3.960 0.002 0.000 0.309 296 G C -1.794 173.167 174.900 0.102 0.000 1.273 296 G CA -0.513 44.605 45.100 0.031 0.000 0.798 296 G HN 0.064 nan 8.290 nan 0.000 0.509 297 D N 1.514 121.919 120.400 0.008 0.000 2.450 297 D HA 0.373 5.014 4.640 0.002 0.000 0.247 297 D C 0.373 176.596 176.300 -0.128 0.000 1.162 297 D CA 0.717 54.657 54.000 -0.100 0.000 0.879 297 D CB 0.235 40.950 40.800 -0.141 0.000 1.163 297 D HN 0.495 nan 8.370 nan 0.000 0.472 298 H N 0.050 118.995 119.070 -0.210 0.000 2.960 298 H HA 0.516 5.073 4.556 0.002 0.000 0.338 298 H C -1.174 174.031 175.328 -0.204 0.000 1.261 298 H CA -0.801 55.131 56.048 -0.194 0.000 1.136 298 H CB 0.466 30.220 29.762 -0.013 0.000 1.875 298 H HN 0.262 nan 8.280 nan 0.000 0.550 299 Y N -0.305 120.200 120.300 0.342 0.000 2.605 299 Y HA 0.417 4.969 4.550 0.002 0.000 0.343 299 Y C -0.544 175.645 175.900 0.481 0.000 1.036 299 Y CA -1.215 57.095 58.100 0.351 0.000 1.065 299 Y CB 1.933 40.444 38.460 0.085 0.000 1.288 299 Y HN 0.484 nan 8.280 nan 0.000 0.481 300 L N 2.570 124.164 121.223 0.618 0.000 2.276 300 L HA 0.449 4.790 4.340 0.002 0.000 0.286 300 L C 0.205 177.100 176.870 0.042 0.000 1.024 300 L CA -0.469 54.424 54.840 0.087 0.000 0.826 300 L CB 0.478 42.549 42.059 0.020 0.000 1.211 300 L HN 0.931 nan 8.230 nan 0.000 0.422 301 C N 1.351 120.539 119.300 -0.186 0.000 3.038 301 C HA 0.562 5.023 4.460 0.002 0.000 0.279 301 C C 0.085 174.878 174.990 -0.328 0.000 1.276 301 C CA -0.377 58.452 59.018 -0.315 0.000 1.697 301 C CB -1.082 26.540 27.740 -0.198 0.000 2.032 301 C HN 0.866 nan 8.230 nan 0.000 0.636 302 D N -0.077 120.148 120.400 -0.291 0.000 2.738 302 D HA 0.285 4.926 4.640 0.002 0.000 0.229 302 D C -1.814 174.175 176.300 -0.519 0.000 1.200 302 D CA 0.105 53.958 54.000 -0.247 0.000 0.746 302 D CB 2.106 42.759 40.800 -0.245 0.000 1.597 302 D HN 0.470 nan 8.370 nan 0.000 0.471 303 V N 1.638 121.175 119.914 -0.629 0.000 2.612 303 V HA 0.802 4.923 4.120 0.002 0.000 0.301 303 V C -1.613 174.070 176.094 -0.684 0.000 1.059 303 V CA 0.071 61.798 62.300 -0.955 0.000 0.886 303 V CB 1.759 32.599 31.823 -1.637 0.000 1.007 303 V HN 0.596 nan 8.190 nan 0.000 0.426 304 T N 6.013 120.276 114.554 -0.485 0.000 2.928 304 T HA 0.442 4.793 4.350 0.002 0.000 0.296 304 T C -0.978 173.635 174.700 -0.145 0.000 1.000 304 T CA -0.181 61.802 62.100 -0.195 0.000 0.989 304 T CB 1.069 69.886 68.868 -0.084 0.000 1.005 304 T HN 0.775 nan 8.240 nan 0.000 0.442 305 W N 2.011 123.299 121.300 -0.021 0.000 2.216 305 W HA 0.471 5.132 4.660 0.002 0.000 0.326 305 W C 1.196 177.665 176.519 -0.083 0.000 1.319 305 W CA -0.347 56.981 57.345 -0.028 0.000 1.213 305 W CB 0.560 30.066 29.460 0.076 0.000 1.171 305 W HN 0.889 nan 8.180 nan 0.000 0.557 306 A N 2.121 124.905 122.820 -0.059 0.000 1.881 306 A HA 0.140 4.461 4.320 0.002 0.000 0.210 306 A C 1.041 178.595 177.584 -0.051 0.000 1.239 306 A CA 1.671 53.398 52.037 -0.517 0.000 0.629 306 A CB -0.606 17.678 19.000 -1.192 0.000 0.906 306 A HN 0.546 nan 8.150 nan 0.000 0.460 307 T N -5.558 109.050 114.554 0.091 0.000 2.645 307 T HA 0.363 4.714 4.350 0.002 0.000 0.273 307 T C 0.396 175.229 174.700 0.222 0.000 0.960 307 T CA -0.369 61.821 62.100 0.150 0.000 1.051 307 T CB 0.633 69.569 68.868 0.115 0.000 1.366 307 T HN 0.002 nan 8.240 nan 0.000 0.536 308 Q N 0.336 120.240 119.800 0.173 0.000 2.291 308 Q HA 0.030 4.371 4.340 0.002 0.000 0.206 308 Q C 1.035 177.236 176.000 0.335 0.000 0.976 308 Q CA 1.502 57.407 55.803 0.168 0.000 0.875 308 Q CB -0.093 28.725 28.738 0.133 0.000 0.927 308 Q HN 0.808 nan 8.270 nan 0.000 0.450 309 E N -0.702 119.725 120.200 0.378 0.000 2.715 309 E HA 0.171 4.522 4.350 0.002 0.000 0.224 309 E C -0.026 176.871 176.600 0.495 0.000 0.962 309 E CA -0.176 56.502 56.400 0.463 0.000 1.145 309 E CB 1.237 31.138 29.700 0.335 0.000 1.083 309 E HN -0.054 nan 8.360 nan 0.000 0.506 310 R N 1.697 122.479 120.500 0.471 0.000 2.534 310 R HA 0.578 4.919 4.340 0.002 0.000 0.301 310 R C -1.520 174.920 176.300 0.234 0.000 0.961 310 R CA -0.439 55.852 56.100 0.320 0.000 0.871 310 R CB 1.459 31.804 30.300 0.075 0.000 1.170 310 R HN 0.060 nan 8.270 nan 0.000 0.446 311 I N 2.321 122.865 120.570 -0.042 0.000 2.769 311 I HA 0.386 4.557 4.170 0.002 0.000 0.298 311 I C -1.065 174.792 176.117 -0.434 0.000 1.128 311 I CA -0.481 60.528 61.300 -0.486 0.000 1.031 311 I CB 2.402 39.591 38.000 -1.352 0.000 1.235 311 I HN 0.797 nan 8.210 nan 0.000 0.423 312 S N 7.174 122.610 115.700 -0.441 0.000 2.503 312 S HA 0.790 5.261 4.470 0.002 0.000 0.301 312 S C -1.164 173.125 174.600 -0.519 0.000 1.087 312 S CA -0.731 57.264 58.200 -0.342 0.000 1.042 312 S CB 1.894 65.021 63.200 -0.122 0.000 1.043 312 S HN 0.414 nan 8.310 nan 0.000 0.489 313 L N 1.825 122.737 121.223 -0.518 0.000 2.354 313 L HA 0.591 4.932 4.340 0.002 0.000 0.269 313 L C -0.210 176.310 176.870 -0.584 0.000 1.005 313 L CA -0.341 54.052 54.840 -0.746 0.000 0.819 313 L CB 1.765 43.285 42.059 -0.899 0.000 1.311 313 L HN 0.862 nan 8.230 nan 0.000 0.423 314 Q N 1.285 120.680 119.800 -0.675 0.000 2.325 314 Q HA 0.424 4.765 4.340 0.002 0.000 0.270 314 Q C -1.717 174.006 176.000 -0.462 0.000 1.020 314 Q CA -0.443 55.107 55.803 -0.422 0.000 0.785 314 Q CB 1.947 30.498 28.738 -0.311 0.000 1.259 314 Q HN 0.517 nan 8.270 nan 0.000 0.452 315 W N 2.829 124.064 121.300 -0.108 0.000 2.639 315 W HA 0.632 5.293 4.660 0.002 0.000 0.347 315 W C -0.802 175.729 176.519 0.021 0.000 1.067 315 W CA -0.679 56.652 57.345 -0.024 0.000 1.218 315 W CB 1.059 30.496 29.460 -0.038 0.000 1.393 315 W HN 0.379 nan 8.180 nan 0.000 0.557 316 L N 2.576 124.016 121.223 0.362 0.000 2.438 316 L HA 0.542 4.883 4.340 0.002 0.000 0.270 316 L C -0.097 176.950 176.870 0.295 0.000 0.972 316 L CA -1.095 53.913 54.840 0.279 0.000 0.831 316 L CB 1.293 43.492 42.059 0.234 0.000 1.273 316 L HN 0.416 nan 8.230 nan 0.000 0.405 317 R N 2.282 122.921 120.500 0.231 0.000 2.738 317 R HA 0.196 4.537 4.340 0.002 0.000 0.268 317 R C 1.112 177.451 176.300 0.064 0.000 1.062 317 R CA 0.072 56.256 56.100 0.141 0.000 1.158 317 R CB 0.510 30.892 30.300 0.137 0.000 1.046 317 R HN 0.666 nan 8.270 nan 0.000 0.493 318 R N 1.277 121.723 120.500 -0.090 0.000 2.105 318 R HA -0.069 4.272 4.340 0.002 0.000 0.239 318 R C 0.375 176.719 176.300 0.072 0.000 1.135 318 R CA 1.130 57.158 56.100 -0.121 0.000 0.967 318 R CB 0.163 30.362 30.300 -0.168 0.000 0.861 318 R HN 0.392 nan 8.270 nan 0.000 0.442 319 I N 3.019 123.621 120.570 0.053 0.000 2.311 319 I HA -0.004 4.167 4.170 0.002 0.000 0.297 319 I C 0.190 176.363 176.117 0.094 0.000 1.131 319 I CA 0.429 61.766 61.300 0.062 0.000 1.289 319 I CB 0.892 38.917 38.000 0.042 0.000 1.446 319 I HN 0.295 nan 8.210 nan 0.000 0.524 320 Q N 3.778 123.635 119.800 0.094 0.000 2.285 320 Q HA -0.067 4.275 4.340 0.002 0.000 0.191 320 Q C 1.034 177.103 176.000 0.116 0.000 0.860 320 Q CA 0.058 55.926 55.803 0.108 0.000 1.015 320 Q CB -0.112 28.652 28.738 0.042 0.000 1.118 320 Q HN 0.478 nan 8.270 nan 0.000 0.455 321 N N -0.405 118.366 118.700 0.117 0.000 2.305 321 N HA -0.052 4.689 4.740 0.002 0.000 0.179 321 N C -0.760 174.848 175.510 0.164 0.000 1.019 321 N CA 0.679 53.794 53.050 0.109 0.000 0.869 321 N CB 0.427 38.971 38.487 0.096 0.000 1.000 321 N HN 0.303 nan 8.380 nan 0.000 0.431 322 Y N 0.833 121.154 120.300 0.035 0.000 2.331 322 Y HA 0.408 4.959 4.550 0.002 0.000 0.334 322 Y C -0.643 175.290 175.900 0.055 0.000 0.960 322 Y CA -1.040 57.082 58.100 0.036 0.000 1.130 322 Y CB 1.078 39.552 38.460 0.023 0.000 1.164 322 Y HN -0.091 nan 8.280 nan 0.000 0.458 323 S N 4.840 120.433 115.700 -0.178 0.000 2.526 323 S HA 0.865 5.336 4.470 0.002 0.000 0.293 323 S C -1.743 172.725 174.600 -0.221 0.000 1.092 323 S CA -0.709 57.435 58.200 -0.094 0.000 0.980 323 S CB 1.673 64.850 63.200 -0.037 0.000 1.048 323 S HN 0.430 nan 8.310 nan 0.000 0.483 324 V N 3.957 123.839 119.914 -0.053 0.000 2.540 324 V HA 0.542 4.663 4.120 0.002 0.000 0.302 324 V C -0.317 175.807 176.094 0.050 0.000 1.035 324 V CA -0.686 61.593 62.300 -0.035 0.000 0.873 324 V CB 1.674 33.514 31.823 0.028 0.000 0.992 324 V HN 1.042 nan 8.190 nan 0.000 0.428 325 M N 4.008 123.607 119.600 -0.003 0.000 2.149 325 M HA 0.535 5.016 4.480 0.002 0.000 0.342 325 M C -1.298 175.016 176.300 0.022 0.000 1.068 325 M CA -0.264 55.011 55.300 -0.041 0.000 0.991 325 M CB 1.143 33.653 32.600 -0.151 0.000 1.596 325 M HN 0.599 nan 8.290 nan 0.000 0.439 326 D N 4.937 125.349 120.400 0.020 0.000 2.228 326 D HA 0.578 5.219 4.640 0.002 0.000 0.247 326 D C -1.058 175.226 176.300 -0.027 0.000 0.995 326 D CA -0.071 53.948 54.000 0.031 0.000 0.903 326 D CB 1.943 42.789 40.800 0.078 0.000 1.205 326 D HN 0.632 nan 8.370 nan 0.000 0.459 327 I N 1.969 122.546 120.570 0.012 0.000 2.439 327 I HA 0.265 4.437 4.170 0.002 0.000 0.285 327 I C -0.640 175.489 176.117 0.020 0.000 1.021 327 I CA -0.612 60.686 61.300 -0.003 0.000 1.091 327 I CB 1.438 39.481 38.000 0.072 0.000 1.242 327 I HN 0.181 nan 8.210 nan 0.000 0.439 328 c N 3.556 122.164 118.600 0.013 0.000 2.382 328 c HA 0.584 5.155 4.570 0.002 0.000 0.327 328 c C -0.182 174.067 174.090 0.264 0.000 1.250 328 c CA -0.747 55.661 56.329 0.133 0.000 1.707 328 c CB 0.888 43.491 42.510 0.154 0.000 2.272 328 c HN 0.617 nan 8.230 nan 0.000 0.506 329 D N -0.085 120.446 120.400 0.220 0.000 2.198 329 D HA 0.371 5.012 4.640 0.002 0.000 0.247 329 D C -0.812 175.417 176.300 -0.119 0.000 1.010 329 D CA -0.245 53.825 54.000 0.117 0.000 0.880 329 D CB 0.774 41.584 40.800 0.016 0.000 1.209 329 D HN 0.609 nan 8.370 nan 0.000 0.451 330 Y N 1.672 121.572 120.300 -0.666 0.000 2.404 330 Y HA 0.186 4.737 4.550 0.002 0.000 0.344 330 Y C -0.255 175.318 175.900 -0.546 0.000 0.995 330 Y CA -0.893 56.446 58.100 -1.268 0.000 1.201 330 Y CB 0.613 38.161 38.460 -1.521 0.000 1.151 330 Y HN 0.222 nan 8.280 nan 0.000 0.517 331 D N 5.703 125.546 120.400 -0.929 0.000 2.383 331 D HA -0.011 4.630 4.640 0.002 0.000 0.245 331 D C 1.080 176.791 176.300 -0.982 0.000 1.263 331 D CA 0.264 53.838 54.000 -0.709 0.000 0.936 331 D CB 0.590 41.167 40.800 -0.370 0.000 1.053 331 D HN 0.870 nan 8.370 nan 0.000 0.507 332 E N 2.028 121.717 120.200 -0.852 0.000 2.132 332 E HA -0.234 4.117 4.350 0.002 0.000 0.218 332 E C 0.561 176.986 176.600 -0.292 0.000 1.058 332 E CA 1.574 57.642 56.400 -0.554 0.000 0.882 332 E CB -0.080 29.477 29.700 -0.239 0.000 0.774 332 E HN 0.235 nan 8.360 nan 0.000 0.467 333 S N -1.094 114.481 115.700 -0.208 0.000 2.519 333 S HA 0.296 4.767 4.470 0.002 0.000 0.245 333 S C -0.107 174.442 174.600 -0.086 0.000 1.152 333 S CA 0.223 58.363 58.200 -0.100 0.000 1.175 333 S CB 0.370 63.530 63.200 -0.068 0.000 0.829 333 S HN 0.172 nan 8.310 nan 0.000 0.472 334 S N -0.840 114.795 115.700 -0.108 0.000 2.475 334 S HA 0.284 4.755 4.470 0.002 0.000 0.270 334 S C 1.448 176.053 174.600 0.009 0.000 1.026 334 S CA 0.018 58.185 58.200 -0.055 0.000 1.437 334 S CB 0.527 63.676 63.200 -0.086 0.000 1.215 334 S HN 0.609 nan 8.310 nan 0.000 0.648 335 G N 2.545 111.366 108.800 0.036 0.000 2.451 335 G HA2 -0.406 3.555 3.960 0.002 0.000 0.253 335 G HA3 -0.406 3.555 3.960 0.002 0.000 0.253 335 G C 0.291 175.367 174.900 0.295 0.000 1.033 335 G CA 1.181 46.471 45.100 0.317 0.000 0.633 335 G HN 0.567 nan 8.290 nan 0.000 0.537 336 R N -0.741 119.825 120.500 0.110 0.000 2.747 336 R HA 0.583 4.924 4.340 0.002 0.000 0.278 336 R C -0.370 175.933 176.300 0.005 0.000 1.153 336 R CA -0.137 56.051 56.100 0.148 0.000 1.206 336 R CB 0.120 30.487 30.300 0.112 0.000 1.161 336 R HN 0.323 nan 8.270 nan 0.000 0.589 337 W N -0.756 120.592 121.300 0.080 0.000 2.666 337 W HA 0.446 5.107 4.660 0.002 0.000 0.334 337 W C -0.749 175.772 176.519 0.004 0.000 1.051 337 W CA -0.504 56.871 57.345 0.050 0.000 1.224 337 W CB 1.428 30.898 29.460 0.015 0.000 1.405 337 W HN 0.453 nan 8.180 nan 0.000 0.513 338 N N 1.580 120.382 118.700 0.170 0.000 2.399 338 N HA 0.462 5.203 4.740 0.002 0.000 0.280 338 N C -1.629 173.936 175.510 0.093 0.000 1.008 338 N CA -0.520 52.584 53.050 0.091 0.000 0.894 338 N CB 1.102 39.600 38.487 0.018 0.000 1.273 338 N HN 0.198 nan 8.380 nan 0.000 0.486 339 c N 3.234 121.875 118.600 0.068 0.000 2.223 339 c HA 0.382 4.953 4.570 0.002 0.000 0.324 339 c C 0.454 174.557 174.090 0.022 0.000 1.196 339 c CA -1.103 55.254 56.329 0.047 0.000 1.628 339 c CB -1.339 41.190 42.510 0.031 0.000 2.229 339 c HN 0.577 nan 8.230 nan 0.000 0.486 340 L N 3.359 124.596 121.223 0.023 0.000 2.410 340 L HA 0.232 4.573 4.340 0.002 0.000 0.273 340 L C 0.762 177.631 176.870 -0.002 0.000 1.152 340 L CA 0.192 55.037 54.840 0.008 0.000 0.855 340 L CB 0.410 42.476 42.059 0.012 0.000 1.129 340 L HN 0.514 nan 8.230 nan 0.000 0.463 341 V N 4.917 124.821 119.914 -0.015 0.000 3.376 341 V HA 0.276 4.397 4.120 0.002 0.000 0.303 341 V C 1.201 177.277 176.094 -0.031 0.000 1.100 341 V CA 0.923 63.206 62.300 -0.028 0.000 1.126 341 V CB 1.156 32.960 31.823 -0.031 0.000 1.085 341 V HN 1.118 nan 8.190 nan 0.000 0.480 342 A N 3.155 125.943 122.820 -0.053 0.000 4.018 342 A HA -0.274 4.047 4.320 0.002 0.000 0.252 342 A C 1.709 179.250 177.584 -0.072 0.000 0.872 342 A CA 1.706 53.706 52.037 -0.061 0.000 1.417 342 A CB -1.727 17.254 19.000 -0.032 0.000 1.002 342 A HN 0.983 nan 8.150 nan 0.000 0.777 343 R N 0.498 120.977 120.500 -0.035 0.000 2.432 343 R HA 0.187 4.528 4.340 0.002 0.000 0.260 343 R C 0.478 176.800 176.300 0.038 0.000 0.935 343 R CA 0.733 56.852 56.100 0.032 0.000 1.080 343 R CB 0.071 30.416 30.300 0.074 0.000 1.155 343 R HN 0.844 nan 8.270 nan 0.000 0.531 344 Q N -0.406 119.338 119.800 -0.094 0.000 2.266 344 Q HA 0.304 4.645 4.340 0.002 0.000 0.261 344 Q C -1.362 174.479 176.000 -0.265 0.000 0.985 344 Q CA -0.839 54.935 55.803 -0.047 0.000 0.873 344 Q CB 1.637 30.361 28.738 -0.022 0.000 1.306 344 Q HN 0.126 nan 8.270 nan 0.000 0.447 345 H N 1.074 120.140 119.070 -0.007 0.000 2.529 345 H HA 0.472 5.029 4.556 0.002 0.000 0.348 345 H C -0.849 174.438 175.328 -0.069 0.000 1.079 345 H CA -0.628 55.420 56.048 -0.000 0.000 1.198 345 H CB 1.361 31.141 29.762 0.029 0.000 1.521 345 H HN 0.561 nan 8.280 nan 0.000 0.514 346 I N 2.034 122.601 120.570 -0.004 0.000 2.365 346 I HA 0.180 4.351 4.170 0.002 0.000 0.291 346 I C 0.203 176.250 176.117 -0.116 0.000 1.004 346 I CA -0.049 61.150 61.300 -0.168 0.000 1.311 346 I CB 0.961 38.832 38.000 -0.215 0.000 1.401 346 I HN 0.566 nan 8.210 nan 0.000 0.491 347 E N 8.432 128.519 120.200 -0.187 0.000 2.220 347 E HA 0.506 4.857 4.350 0.002 0.000 0.256 347 E C -0.967 175.562 176.600 -0.119 0.000 0.881 347 E CA -0.620 55.729 56.400 -0.085 0.000 0.766 347 E CB 1.160 30.833 29.700 -0.045 0.000 1.187 347 E HN 0.617 nan 8.360 nan 0.000 0.419 348 M N 1.222 120.789 119.600 -0.055 0.000 2.788 348 M HA 0.705 5.186 4.480 0.002 0.000 0.291 348 M C -0.773 175.537 176.300 0.015 0.000 1.213 348 M CA -1.009 54.290 55.300 -0.002 0.000 0.768 348 M CB 2.143 34.791 32.600 0.079 0.000 1.766 348 M HN 0.226 nan 8.290 nan 0.000 0.460 349 S N -0.728 114.984 115.700 0.019 0.000 2.562 349 S HA 0.427 4.898 4.470 0.002 0.000 0.274 349 S C -0.033 174.552 174.600 -0.025 0.000 1.160 349 S CA 0.043 58.232 58.200 -0.019 0.000 0.933 349 S CB 1.674 64.824 63.200 -0.083 0.000 1.100 349 S HN 0.969 nan 8.310 nan 0.000 0.468 350 T N 0.120 114.661 114.554 -0.022 0.000 3.037 350 T HA 0.064 4.415 4.350 0.002 0.000 0.251 350 T C 1.693 176.366 174.700 -0.046 0.000 1.079 350 T CA 1.183 63.271 62.100 -0.020 0.000 1.067 350 T CB -0.436 68.431 68.868 -0.002 0.000 0.948 350 T HN 0.736 nan 8.240 nan 0.000 0.496 351 T N -1.500 113.016 114.554 -0.064 0.000 3.031 351 T HA 0.548 4.899 4.350 0.002 0.000 0.254 351 T C 1.203 175.736 174.700 -0.279 0.000 1.060 351 T CA 0.554 62.614 62.100 -0.067 0.000 1.135 351 T CB -0.012 68.892 68.868 0.060 0.000 0.896 351 T HN 0.612 nan 8.240 nan 0.000 0.472 352 G N 0.095 108.529 108.800 -0.609 0.000 2.793 352 G HA2 0.496 4.457 3.960 0.002 0.000 0.248 352 G HA3 0.496 4.457 3.960 0.002 0.000 0.248 352 G C -1.563 172.952 174.900 -0.642 0.000 1.198 352 G CA -0.650 43.798 45.100 -1.087 0.000 0.865 352 G HN 0.526 nan 8.290 nan 0.000 0.534 353 W N -0.087 120.913 121.300 -0.500 0.000 2.260 353 W HA 0.726 5.387 4.660 0.002 0.000 0.366 353 W C -0.395 176.058 176.519 -0.110 0.000 1.315 353 W CA -1.282 55.922 57.345 -0.235 0.000 1.458 353 W CB 0.508 29.814 29.460 -0.256 0.000 1.255 353 W HN 0.254 nan 8.180 nan 0.000 0.671 354 V N 3.058 123.052 119.914 0.133 0.000 2.465 354 V HA 0.693 4.814 4.120 0.002 0.000 0.279 354 V C 0.762 176.954 176.094 0.162 0.000 1.045 354 V CA 0.273 62.614 62.300 0.068 0.000 0.938 354 V CB 0.014 31.867 31.823 0.050 0.000 0.986 354 V HN 1.298 nan 8.190 nan 0.000 0.467 355 G N 4.877 113.725 108.800 0.081 0.000 2.733 355 G HA2 -0.184 3.777 3.960 0.002 0.000 0.686 355 G HA3 -0.184 3.777 3.960 0.002 0.000 0.686 355 G C 0.287 175.297 174.900 0.184 0.000 1.373 355 G CA 0.086 45.252 45.100 0.109 0.000 0.838 355 G HN 0.677 nan 8.290 nan 0.000 0.588 356 R N -0.196 120.359 120.500 0.093 0.000 2.073 356 R HA 0.058 4.399 4.340 0.002 0.000 0.234 356 R C 1.895 178.073 176.300 -0.203 0.000 1.134 356 R CA 2.331 58.411 56.100 -0.033 0.000 0.952 356 R CB -0.094 30.165 30.300 -0.069 0.000 0.850 356 R HN 0.512 nan 8.270 nan 0.000 0.433 357 F N -1.371 118.683 119.950 0.173 0.000 2.577 357 F HA 0.226 4.754 4.527 0.002 0.000 0.282 357 F C 0.461 176.255 175.800 -0.010 0.000 0.957 357 F CA -0.368 57.672 58.000 0.067 0.000 1.168 357 F CB 0.531 39.572 39.000 0.069 0.000 0.958 357 F HN -0.165 nan 8.300 nan 0.000 0.702 358 R N 0.472 121.076 120.500 0.173 0.000 2.740 358 R HA 0.528 4.869 4.340 0.002 0.000 0.273 358 R C -3.171 173.159 176.300 0.050 0.000 0.998 358 R CA -1.989 54.136 56.100 0.041 0.000 0.900 358 R CB 0.911 31.184 30.300 -0.045 0.000 1.223 358 R HN -0.296 nan 8.270 nan 0.000 0.466 359 P HA -0.078 nan 4.420 nan 0.000 0.264 359 P C -0.064 177.231 177.300 -0.009 0.000 1.183 359 P CA 0.208 63.308 63.100 -0.000 0.000 0.763 359 P CB 0.564 32.240 31.700 -0.039 0.000 0.807 360 S N 1.803 117.510 115.700 0.012 0.000 2.553 360 S HA -0.009 4.462 4.470 0.002 0.000 0.271 360 S C 0.384 174.966 174.600 -0.030 0.000 1.362 360 S CA -0.486 57.730 58.200 0.027 0.000 1.010 360 S CB 0.091 63.325 63.200 0.058 0.000 0.865 360 S HN 0.579 nan 8.310 nan 0.000 0.543 361 E N 1.075 121.275 120.200 -0.001 0.000 2.227 361 E HA 0.405 4.756 4.350 0.002 0.000 0.282 361 E C -2.816 173.710 176.600 -0.124 0.000 1.015 361 E CA -2.666 53.682 56.400 -0.087 0.000 0.823 361 E CB 0.556 30.216 29.700 -0.067 0.000 1.081 361 E HN 0.448 nan 8.360 nan 0.000 0.396 362 P HA 0.213 nan 4.420 nan 0.000 0.278 362 P C -0.680 176.408 177.300 -0.354 0.000 1.238 362 P CA -0.276 62.586 63.100 -0.396 0.000 0.794 362 P CB 0.812 31.953 31.700 -0.933 0.000 0.955 363 H N 2.172 121.179 119.070 -0.105 0.000 2.762 363 H HA 0.291 4.848 4.556 0.002 0.000 0.310 363 H C -0.311 175.097 175.328 0.134 0.000 1.004 363 H CA -0.335 55.758 56.048 0.076 0.000 1.267 363 H CB 0.330 30.185 29.762 0.156 0.000 1.437 363 H HN 0.319 nan 8.280 nan 0.000 0.498 364 F N 1.830 121.967 119.950 0.311 0.000 2.389 364 F HA 0.075 4.603 4.527 0.002 0.000 0.337 364 F C 1.581 177.573 175.800 0.320 0.000 1.112 364 F CA -0.469 57.722 58.000 0.318 0.000 1.192 364 F CB 1.019 40.144 39.000 0.209 0.000 1.185 364 F HN 0.354 nan 8.300 nan 0.000 0.552 365 T N 0.707 115.577 114.554 0.527 0.000 2.868 365 T HA 0.131 4.483 4.350 0.002 0.000 0.292 365 T C 1.150 176.039 174.700 0.315 0.000 1.028 365 T CA -0.817 61.524 62.100 0.402 0.000 1.059 365 T CB 0.911 70.006 68.868 0.379 0.000 0.991 365 T HN 0.651 nan 8.240 nan 0.000 0.531 366 L N 1.207 122.572 121.223 0.237 0.000 2.054 366 L HA -0.203 4.138 4.340 0.002 0.000 0.220 366 L C 2.113 179.084 176.870 0.169 0.000 1.081 366 L CA 2.650 57.601 54.840 0.184 0.000 0.780 366 L CB -0.844 41.301 42.059 0.143 0.000 0.893 366 L HN 0.968 nan 8.230 nan 0.000 0.438 367 D N -1.251 119.250 120.400 0.168 0.000 2.349 367 D HA 0.042 4.683 4.640 0.002 0.000 0.224 367 D C 1.626 178.014 176.300 0.147 0.000 1.029 367 D CA 0.701 54.785 54.000 0.140 0.000 0.879 367 D CB -0.593 40.280 40.800 0.122 0.000 0.906 367 D HN 0.508 nan 8.370 nan 0.000 0.528 368 G N 0.921 109.839 108.800 0.197 0.000 2.200 368 G HA2 -0.409 3.552 3.960 0.002 0.000 0.267 368 G HA3 -0.409 3.552 3.960 0.002 0.000 0.267 368 G C 0.660 175.698 174.900 0.230 0.000 0.993 368 G CA 0.620 45.825 45.100 0.175 0.000 0.701 368 G HN 0.528 nan 8.290 nan 0.000 0.524 369 N N 0.193 119.028 118.700 0.224 0.000 2.314 369 N HA 0.384 5.125 4.740 0.002 0.000 0.200 369 N C 0.299 175.920 175.510 0.184 0.000 1.135 369 N CA 0.565 53.727 53.050 0.186 0.000 0.835 369 N CB 0.378 38.938 38.487 0.121 0.000 0.989 369 N HN 0.666 nan 8.380 nan 0.000 0.478 370 S N -0.359 115.510 115.700 0.281 0.000 2.597 370 S HA 0.564 5.035 4.470 0.002 0.000 0.274 370 S C -1.355 173.344 174.600 0.166 0.000 1.132 370 S CA -1.225 57.004 58.200 0.049 0.000 0.835 370 S CB 0.811 63.906 63.200 -0.174 0.000 1.092 370 S HN 0.177 nan 8.310 nan 0.000 0.457 371 F N -1.365 118.436 119.950 -0.248 0.000 2.645 371 F HA 0.872 5.400 4.527 0.002 0.000 0.310 371 F C -2.135 173.513 175.800 -0.254 0.000 1.102 371 F CA -1.469 56.337 58.000 -0.323 0.000 0.952 371 F CB 0.642 39.038 39.000 -1.007 0.000 1.326 371 F HN 0.604 nan 8.300 nan 0.000 0.456 372 Y N 1.389 121.816 120.300 0.212 0.000 2.377 372 Y HA 0.687 5.238 4.550 0.002 0.000 0.339 372 Y C -0.441 175.607 175.900 0.247 0.000 1.011 372 Y CA -0.922 57.305 58.100 0.211 0.000 1.093 372 Y CB 2.018 40.565 38.460 0.145 0.000 1.201 372 Y HN 0.728 nan 8.280 nan 0.000 0.455 373 K N 1.057 121.676 120.400 0.364 0.000 2.551 373 K HA 0.646 4.967 4.320 0.002 0.000 0.269 373 K C -1.809 174.919 176.600 0.213 0.000 0.949 373 K CA -0.727 55.715 56.287 0.258 0.000 0.849 373 K CB 1.564 34.139 32.500 0.125 0.000 1.411 373 K HN 0.566 nan 8.250 nan 0.000 0.432 374 I N 4.020 124.686 120.570 0.161 0.000 2.379 374 I HA 0.274 4.445 4.170 0.002 0.000 0.290 374 I C 0.205 176.406 176.117 0.141 0.000 1.063 374 I CA -0.466 60.915 61.300 0.134 0.000 1.351 374 I CB 0.014 38.068 38.000 0.091 0.000 1.410 374 I HN 0.620 nan 8.210 nan 0.000 0.505 375 I N 1.868 122.564 120.570 0.210 0.000 3.108 375 I HA 0.548 4.719 4.170 0.002 0.000 0.312 375 I C -0.165 176.082 176.117 0.216 0.000 1.095 375 I CA -0.799 60.623 61.300 0.205 0.000 1.000 375 I CB 2.099 40.247 38.000 0.247 0.000 1.229 375 I HN 0.279 nan 8.210 nan 0.000 0.454 376 S N 1.879 117.654 115.700 0.126 0.000 2.565 376 S HA 0.245 4.717 4.470 0.002 0.000 0.276 376 S C 0.055 174.672 174.600 0.029 0.000 1.326 376 S CA -0.270 57.943 58.200 0.020 0.000 1.045 376 S CB 0.026 63.192 63.200 -0.058 0.000 0.918 376 S HN 0.658 nan 8.310 nan 0.000 0.505 377 N N 1.613 120.228 118.700 -0.141 0.000 2.326 377 N HA 0.076 4.817 4.740 0.002 0.000 0.239 377 N C 0.869 176.275 175.510 -0.174 0.000 1.301 377 N CA -0.064 52.781 53.050 -0.342 0.000 0.909 377 N CB 0.519 38.859 38.487 -0.245 0.000 1.156 377 N HN 0.710 nan 8.380 nan 0.000 0.462 378 E N 0.136 120.214 120.200 -0.202 0.000 2.427 378 E HA -0.033 4.318 4.350 0.002 0.000 0.196 378 E C 0.591 177.147 176.600 -0.074 0.000 1.028 378 E CA 1.028 57.374 56.400 -0.090 0.000 0.864 378 E CB 0.092 29.746 29.700 -0.077 0.000 0.813 378 E HN 0.596 nan 8.360 nan 0.000 0.514 379 E N -1.425 118.729 120.200 -0.076 0.000 2.481 379 E HA 0.125 4.476 4.350 0.002 0.000 0.198 379 E C 0.410 177.066 176.600 0.094 0.000 1.027 379 E CA 0.413 56.822 56.400 0.014 0.000 0.900 379 E CB 0.365 30.058 29.700 -0.011 0.000 0.993 379 E HN 0.341 nan 8.360 nan 0.000 0.482 380 G N 0.912 109.701 108.800 -0.017 0.000 2.141 380 G HA2 -0.247 3.714 3.960 0.002 0.000 0.231 380 G HA3 -0.247 3.714 3.960 0.002 0.000 0.231 380 G C -0.491 174.211 174.900 -0.330 0.000 0.984 380 G CA 0.006 44.996 45.100 -0.183 0.000 0.660 380 G HN 0.160 nan 8.290 nan 0.000 0.525 381 Y N 0.588 120.754 120.300 -0.224 0.000 2.341 381 Y HA 0.635 5.186 4.550 0.002 0.000 0.337 381 Y C 1.095 176.820 175.900 -0.293 0.000 1.014 381 Y CA -1.124 56.823 58.100 -0.255 0.000 1.111 381 Y CB 1.036 39.363 38.460 -0.222 0.000 1.194 381 Y HN 0.094 nan 8.280 nan 0.000 0.462 382 R N 4.004 124.356 120.500 -0.246 0.000 2.351 382 R HA 0.209 4.550 4.340 0.002 0.000 0.318 382 R C -0.633 175.395 176.300 -0.452 0.000 1.055 382 R CA 0.176 56.142 56.100 -0.224 0.000 0.968 382 R CB -0.045 30.159 30.300 -0.160 0.000 0.974 382 R HN 0.661 nan 8.270 nan 0.000 0.439 383 H N 1.605 120.626 119.070 -0.082 0.000 2.941 383 H HA 0.339 4.896 4.556 0.002 0.000 0.344 383 H C -0.026 175.368 175.328 0.109 0.000 1.235 383 H CA -0.986 54.991 56.048 -0.118 0.000 1.149 383 H CB 1.589 31.178 29.762 -0.289 0.000 1.885 383 H HN 0.312 nan 8.280 nan 0.000 0.558 384 I N 1.478 122.142 120.570 0.158 0.000 2.452 384 I HA 0.025 4.196 4.170 0.002 0.000 0.287 384 I C 0.367 176.533 176.117 0.081 0.000 1.079 384 I CA 0.146 61.508 61.300 0.104 0.000 1.387 384 I CB 0.209 38.191 38.000 -0.031 0.000 1.404 384 I HN 0.115 nan 8.210 nan 0.000 0.522 385 c N 7.369 125.952 118.600 -0.029 0.000 2.355 385 c HA 0.387 4.958 4.570 0.002 0.000 0.332 385 c C -0.245 173.722 174.090 -0.204 0.000 1.255 385 c CA -0.487 55.593 56.329 -0.416 0.000 1.792 385 c CB 0.843 42.842 42.510 -0.851 0.000 2.300 385 c HN 0.634 nan 8.230 nan 0.000 0.515 386 Y N 5.060 125.033 120.300 -0.545 0.000 2.367 386 Y HA 0.634 5.185 4.550 0.002 0.000 0.342 386 Y C -0.995 174.442 175.900 -0.770 0.000 0.979 386 Y CA -0.757 56.974 58.100 -0.614 0.000 1.161 386 Y CB 0.097 38.271 38.460 -0.475 0.000 1.155 386 Y HN 0.603 nan 8.280 nan 0.000 0.503 387 F N 3.478 122.652 119.950 -1.292 0.000 2.492 387 F HA 0.478 5.006 4.527 0.002 0.000 0.327 387 F C -0.223 174.824 175.800 -1.255 0.000 1.079 387 F CA -0.945 56.245 58.000 -1.351 0.000 0.967 387 F CB 1.664 39.426 39.000 -2.064 0.000 1.169 387 F HN 0.291 nan 8.300 nan 0.000 0.472 388 Q N 2.243 121.713 119.800 -0.550 0.000 2.325 388 Q HA 0.368 4.709 4.340 0.002 0.000 0.262 388 Q C 1.110 177.094 176.000 -0.027 0.000 0.968 388 Q CA -0.264 55.353 55.803 -0.310 0.000 0.877 388 Q CB 1.322 29.932 28.738 -0.213 0.000 1.253 388 Q HN 0.688 nan 8.270 nan 0.000 0.448 389 I N -0.455 120.182 120.570 0.111 0.000 2.381 389 I HA -0.267 3.905 4.170 0.002 0.000 0.255 389 I C 0.052 176.369 176.117 0.334 0.000 1.140 389 I CA 1.797 63.307 61.300 0.351 0.000 1.404 389 I CB -0.101 38.106 38.000 0.346 0.000 1.075 389 I HN 0.483 nan 8.210 nan 0.000 0.433 390 D N -0.284 120.217 120.400 0.168 0.000 2.501 390 D HA 0.252 4.893 4.640 0.002 0.000 0.224 390 D C 0.016 176.343 176.300 0.046 0.000 1.202 390 D CA -0.337 53.717 54.000 0.090 0.000 0.829 390 D CB 0.175 41.007 40.800 0.053 0.000 1.023 390 D HN 0.205 nan 8.370 nan 0.000 0.499 391 K N 0.801 121.248 120.400 0.079 0.000 2.323 391 K HA 0.293 4.614 4.320 0.002 0.000 0.259 391 K C 1.050 177.688 176.600 0.064 0.000 0.947 391 K CA -0.708 55.590 56.287 0.019 0.000 0.819 391 K CB 1.671 34.143 32.500 -0.046 0.000 1.109 391 K HN -0.036 nan 8.250 nan 0.000 0.429 392 K N 0.983 121.381 120.400 -0.004 0.000 2.026 392 K HA -0.047 4.274 4.320 0.002 0.000 0.208 392 K C -0.072 176.551 176.600 0.038 0.000 1.048 392 K CA 1.123 57.411 56.287 0.002 0.000 0.929 392 K CB 0.016 32.498 32.500 -0.031 0.000 0.713 392 K HN 0.385 nan 8.250 nan 0.000 0.439 393 D N 1.113 121.481 120.400 -0.053 0.000 2.255 393 D HA 0.146 4.787 4.640 0.002 0.000 0.249 393 D C -0.065 176.036 176.300 -0.331 0.000 1.078 393 D CA -0.312 53.602 54.000 -0.144 0.000 0.896 393 D CB 1.527 42.257 40.800 -0.116 0.000 1.194 393 D HN 0.414 nan 8.370 nan 0.000 0.429 394 c N 0.112 118.355 118.600 -0.596 0.000 2.407 394 c HA 0.780 5.351 4.570 0.002 0.000 0.366 394 c C 0.195 173.897 174.090 -0.646 0.000 1.213 394 c CA -0.576 55.164 56.329 -0.983 0.000 2.011 394 c CB 1.154 42.347 42.510 -2.195 0.000 2.306 394 c HN 0.456 nan 8.230 nan 0.000 0.527 395 T N 1.793 116.025 114.554 -0.536 0.000 2.791 395 T HA 0.454 4.805 4.350 0.002 0.000 0.288 395 T C -0.726 173.807 174.700 -0.278 0.000 0.999 395 T CA 0.143 62.085 62.100 -0.264 0.000 0.952 395 T CB 0.216 69.077 68.868 -0.012 0.000 0.938 395 T HN 0.471 nan 8.240 nan 0.000 0.444 396 F N 4.002 123.873 119.950 -0.131 0.000 2.541 396 F HA 0.181 4.710 4.527 0.002 0.000 0.378 396 F C 1.747 177.442 175.800 -0.175 0.000 1.068 396 F CA -0.750 57.160 58.000 -0.149 0.000 1.199 396 F CB 0.243 39.150 39.000 -0.156 0.000 1.091 396 F HN 0.578 nan 8.300 nan 0.000 0.555 397 I N -0.283 120.216 120.570 -0.118 0.000 3.603 397 I HA 0.143 4.314 4.170 0.002 0.000 0.297 397 I C 0.467 176.457 176.117 -0.212 0.000 1.269 397 I CA 0.272 61.323 61.300 -0.416 0.000 1.361 397 I CB -0.167 37.279 38.000 -0.924 0.000 1.063 397 I HN 0.492 nan 8.210 nan 0.000 0.448 398 T N 0.431 114.902 114.554 -0.138 0.000 2.916 398 T HA 0.732 5.083 4.350 0.002 0.000 0.292 398 T C -0.663 173.677 174.700 -0.600 0.000 1.064 398 T CA -0.703 61.277 62.100 -0.200 0.000 1.011 398 T CB 2.675 71.472 68.868 -0.118 0.000 1.152 398 T HN 0.521 nan 8.240 nan 0.000 0.510 399 K N -0.463 119.405 120.400 -0.886 0.000 2.642 399 K HA 0.759 5.081 4.320 0.002 0.000 0.290 399 K C -0.477 175.519 176.600 -1.006 0.000 1.006 399 K CA -0.856 54.650 56.287 -1.301 0.000 0.869 399 K CB 1.216 33.346 32.500 -0.617 0.000 1.499 399 K HN 1.583 nan 8.250 nan 0.000 0.403 400 G N -0.020 108.229 108.800 -0.918 0.000 2.339 400 G HA2 0.119 4.080 3.960 0.002 0.000 0.381 400 G HA3 0.119 4.080 3.960 0.002 0.000 0.381 400 G C -0.862 173.611 174.900 -0.712 0.000 1.400 400 G CA -0.428 44.347 45.100 -0.542 0.000 1.002 400 G HN 1.022 nan 8.290 nan 0.000 0.633 401 T N -0.241 114.056 114.554 -0.429 0.000 4.098 401 T HA 0.567 4.918 4.350 0.002 0.000 0.291 401 T C 0.134 174.855 174.700 0.036 0.000 1.440 401 T CA 0.368 62.099 62.100 -0.615 0.000 1.164 401 T CB -0.870 67.776 68.868 -0.370 0.000 1.313 401 T HN 1.479 nan 8.240 nan 0.000 0.951 402 W N -0.287 121.011 121.300 -0.004 0.000 2.989 402 W HA 0.625 5.286 4.660 0.002 0.000 0.344 402 W C -1.455 175.078 176.519 0.024 0.000 1.233 402 W CA -0.956 56.430 57.345 0.069 0.000 1.187 402 W CB 0.632 30.097 29.460 0.009 0.000 1.443 402 W HN 0.190 nan 8.180 nan 0.000 0.573 403 E N 0.679 120.983 120.200 0.172 0.000 2.312 403 E HA 0.469 4.820 4.350 0.002 0.000 0.267 403 E C -1.185 175.427 176.600 0.021 0.000 0.894 403 E CA -1.226 55.054 56.400 -0.199 0.000 0.773 403 E CB 3.339 32.987 29.700 -0.087 0.000 1.241 403 E HN 0.163 nan 8.360 nan 0.000 0.432 404 V N 3.875 123.674 119.914 -0.192 0.000 2.408 404 V HA 0.012 4.133 4.120 0.002 0.000 0.267 404 V C 1.330 177.470 176.094 0.076 0.000 1.047 404 V CA -0.074 62.230 62.300 0.007 0.000 0.937 404 V CB 0.379 32.107 31.823 -0.159 0.000 0.999 404 V HN 0.695 nan 8.190 nan 0.000 0.472 405 I N 3.520 124.179 120.570 0.149 0.000 2.162 405 I HA 0.118 4.289 4.170 0.002 0.000 0.238 405 I C 1.190 177.405 176.117 0.163 0.000 1.076 405 I CA 1.512 62.904 61.300 0.154 0.000 1.353 405 I CB -0.729 37.316 38.000 0.076 0.000 1.063 405 I HN 0.734 nan 8.210 nan 0.000 0.408 406 G N 0.329 109.230 108.800 0.169 0.000 2.742 406 G HA2 0.527 4.488 3.960 0.002 0.000 0.296 406 G HA3 0.527 4.488 3.960 0.002 0.000 0.296 406 G C -1.022 173.975 174.900 0.161 0.000 1.436 406 G CA -0.547 44.654 45.100 0.168 0.000 0.928 406 G HN 0.020 nan 8.290 nan 0.000 0.520 407 I N 2.419 123.044 120.570 0.092 0.000 2.406 407 I HA 0.101 4.273 4.170 0.002 0.000 0.293 407 I C 0.979 177.060 176.117 -0.060 0.000 1.101 407 I CA -0.378 60.877 61.300 -0.075 0.000 1.334 407 I CB 1.185 38.909 38.000 -0.459 0.000 1.421 407 I HN 0.520 nan 8.210 nan 0.000 0.513 408 E N 5.132 125.347 120.200 0.025 0.000 2.086 408 E HA 0.159 4.510 4.350 0.002 0.000 0.190 408 E C 0.491 177.023 176.600 -0.114 0.000 0.975 408 E CA 0.463 56.900 56.400 0.061 0.000 0.813 408 E CB 0.324 30.139 29.700 0.191 0.000 0.768 408 E HN 0.699 nan 8.360 nan 0.000 0.457 409 A N 0.342 122.999 122.820 -0.272 0.000 2.606 409 A HA 0.602 4.923 4.320 0.002 0.000 0.293 409 A C -1.830 175.669 177.584 -0.142 0.000 1.082 409 A CA -0.631 51.178 52.037 -0.379 0.000 0.685 409 A CB 1.472 19.748 19.000 -1.206 0.000 1.284 409 A HN 0.052 nan 8.150 nan 0.000 0.408 410 L N 1.097 122.278 121.223 -0.070 0.000 2.436 410 L HA 0.860 5.201 4.340 0.002 0.000 0.268 410 L C 0.096 176.985 176.870 0.031 0.000 0.974 410 L CA 0.494 55.314 54.840 -0.032 0.000 0.826 410 L CB 2.166 44.222 42.059 -0.006 0.000 1.291 410 L HN 1.241 nan 8.230 nan 0.000 0.406 411 T N -0.610 113.967 114.554 0.038 0.000 2.831 411 T HA 0.434 4.785 4.350 0.002 0.000 0.287 411 T C 0.822 175.549 174.700 0.046 0.000 1.070 411 T CA 0.083 62.227 62.100 0.072 0.000 1.010 411 T CB 1.183 70.132 68.868 0.135 0.000 1.264 411 T HN 0.639 nan 8.240 nan 0.000 0.532 412 S N -0.830 114.903 115.700 0.055 0.000 2.515 412 S HA -0.015 4.457 4.470 0.002 0.000 0.231 412 S C 0.944 175.532 174.600 -0.020 0.000 0.987 412 S CA 0.779 59.005 58.200 0.043 0.000 0.936 412 S CB -0.434 62.797 63.200 0.052 0.000 0.766 412 S HN 0.688 nan 8.310 nan 0.000 0.528 413 D N -0.145 120.230 120.400 -0.040 0.000 2.414 413 D HA 0.297 4.939 4.640 0.002 0.000 0.237 413 D C -0.246 175.789 176.300 -0.441 0.000 0.975 413 D CA 0.717 54.602 54.000 -0.192 0.000 0.917 413 D CB 0.294 41.076 40.800 -0.029 0.000 1.061 413 D HN 0.408 nan 8.370 nan 0.000 0.480 414 Y N -0.617 119.592 120.300 -0.152 0.000 2.665 414 Y HA 0.491 5.042 4.550 0.002 0.000 0.336 414 Y C -0.466 175.201 175.900 -0.387 0.000 1.085 414 Y CA -1.142 56.771 58.100 -0.311 0.000 1.096 414 Y CB 1.915 40.062 38.460 -0.522 0.000 1.301 414 Y HN -0.245 nan 8.280 nan 0.000 0.493 415 L N 2.319 123.378 121.223 -0.274 0.000 2.404 415 L HA 0.474 4.815 4.340 0.002 0.000 0.272 415 L C -2.079 174.639 176.870 -0.252 0.000 0.980 415 L CA -0.743 53.927 54.840 -0.284 0.000 0.836 415 L CB 0.586 42.435 42.059 -0.351 0.000 1.238 415 L HN 0.655 nan 8.230 nan 0.000 0.408 416 Y N 6.039 126.268 120.300 -0.117 0.000 2.326 416 Y HA 0.496 5.047 4.550 0.002 0.000 0.337 416 Y C -0.012 175.885 175.900 -0.005 0.000 1.023 416 Y CA -0.299 57.736 58.100 -0.109 0.000 1.143 416 Y CB 1.052 39.383 38.460 -0.216 0.000 1.183 416 Y HN 0.565 nan 8.280 nan 0.000 0.485 417 Y N 0.595 120.955 120.300 0.100 0.000 2.609 417 Y HA 0.846 5.397 4.550 0.002 0.000 0.342 417 Y C -1.556 174.415 175.900 0.118 0.000 1.058 417 Y CA -2.129 56.016 58.100 0.075 0.000 1.055 417 Y CB 1.350 39.834 38.460 0.040 0.000 1.292 417 Y HN 0.376 nan 8.280 nan 0.000 0.476 418 I N 3.115 123.867 120.570 0.304 0.000 2.436 418 I HA 0.537 4.708 4.170 0.002 0.000 0.289 418 I C -0.596 175.670 176.117 0.249 0.000 1.010 418 I CA -0.515 60.895 61.300 0.183 0.000 1.098 418 I CB 1.985 40.044 38.000 0.098 0.000 1.266 418 I HN 0.900 nan 8.210 nan 0.000 0.434 419 S N 3.804 119.608 115.700 0.174 0.000 2.697 419 S HA 0.495 4.967 4.470 0.002 0.000 0.289 419 S C -0.601 174.015 174.600 0.028 0.000 1.149 419 S CA -0.839 57.453 58.200 0.152 0.000 0.850 419 S CB 1.916 65.278 63.200 0.270 0.000 1.151 419 S HN 0.636 nan 8.310 nan 0.000 0.491 420 N N -0.435 118.298 118.700 0.056 0.000 2.610 420 N HA 0.195 4.936 4.740 0.002 0.000 0.309 420 N C 0.155 175.656 175.510 -0.014 0.000 1.536 420 N CA -0.524 52.523 53.050 -0.005 0.000 0.954 420 N CB 0.543 39.013 38.487 -0.029 0.000 1.310 420 N HN 0.853 nan 8.380 nan 0.000 0.502 421 E N -0.189 119.886 120.200 -0.209 0.000 2.102 421 E HA -0.097 4.255 4.350 0.002 0.000 0.190 421 E C -0.289 176.184 176.600 -0.213 0.000 0.971 421 E CA -0.147 55.941 56.400 -0.520 0.000 0.821 421 E CB -0.013 28.743 29.700 -1.573 0.000 0.777 421 E HN 0.340 nan 8.360 nan 0.000 0.460 422 Y N 1.982 122.187 120.300 -0.158 0.000 2.903 422 Y HA -0.134 4.417 4.550 0.002 0.000 0.338 422 Y C 0.552 176.419 175.900 -0.055 0.000 1.265 422 Y CA 0.860 58.925 58.100 -0.059 0.000 1.532 422 Y CB 0.329 38.792 38.460 0.005 0.000 1.293 422 Y HN 0.094 nan 8.280 nan 0.000 0.609 423 K N 2.981 123.034 120.400 -0.577 0.000 3.185 423 K HA -0.237 4.084 4.320 0.002 0.000 0.298 423 K C 0.781 177.295 176.600 -0.143 0.000 1.178 423 K CA 1.338 57.383 56.287 -0.403 0.000 0.882 423 K CB -1.657 30.614 32.500 -0.382 0.000 1.218 423 K HN 1.316 nan 8.250 nan 0.000 0.454 424 G N 0.273 109.008 108.800 -0.108 0.000 2.296 424 G HA2 -0.344 3.617 3.960 0.002 0.000 0.282 424 G HA3 -0.344 3.617 3.960 0.002 0.000 0.282 424 G C 0.005 174.890 174.900 -0.025 0.000 1.014 424 G CA 0.922 46.004 45.100 -0.030 0.000 0.812 424 G HN 0.498 nan 8.290 nan 0.000 0.508 425 M N -1.379 118.136 119.600 -0.141 0.000 2.078 425 M HA 0.472 4.953 4.480 0.002 0.000 0.320 425 M C -1.555 174.478 176.300 -0.446 0.000 0.969 425 M CA -2.416 52.612 55.300 -0.453 0.000 0.929 425 M CB 2.119 34.444 32.600 -0.457 0.000 1.504 425 M HN -0.106 nan 8.290 nan 0.000 0.419 426 P HA -0.076 nan 4.420 nan 0.000 0.229 426 P C 0.938 178.073 177.300 -0.275 0.000 1.150 426 P CA 1.279 64.196 63.100 -0.304 0.000 0.765 426 P CB -0.016 31.537 31.700 -0.244 0.000 0.783 427 G N -0.737 107.842 108.800 -0.368 0.000 3.434 427 G HA2 0.351 4.312 3.960 0.002 0.000 0.258 427 G HA3 0.351 4.312 3.960 0.002 0.000 0.258 427 G C 0.591 175.480 174.900 -0.018 0.000 1.128 427 G CA 0.017 45.028 45.100 -0.149 0.000 0.792 427 G HN 0.419 nan 8.290 nan 0.000 0.539 428 G N -0.175 108.561 108.800 -0.108 0.000 2.537 428 G HA2 0.684 4.645 3.960 0.002 0.000 0.323 428 G HA3 0.684 4.645 3.960 0.002 0.000 0.323 428 G C -1.025 173.732 174.900 -0.238 0.000 1.207 428 G CA -0.780 44.278 45.100 -0.071 0.000 0.976 428 G HN 0.079 nan 8.290 nan 0.000 0.487 429 R N 0.795 121.123 120.500 -0.286 0.000 2.522 429 R HA 0.434 4.775 4.340 0.002 0.000 0.283 429 R C -1.411 174.862 176.300 -0.046 0.000 1.074 429 R CA -0.819 55.092 56.100 -0.315 0.000 0.925 429 R CB 1.896 31.732 30.300 -0.772 0.000 1.205 429 R HN 0.612 nan 8.270 nan 0.000 0.436 430 N N 1.546 120.265 118.700 0.032 0.000 2.329 430 N HA 0.337 5.078 4.740 0.002 0.000 0.282 430 N C -1.322 174.184 175.510 -0.006 0.000 1.198 430 N CA -0.808 52.242 53.050 -0.001 0.000 0.790 430 N CB 2.795 41.255 38.487 -0.046 0.000 1.579 430 N HN 0.245 nan 8.380 nan 0.000 0.475 431 L N 2.351 123.418 121.223 -0.261 0.000 2.292 431 L HA 0.475 4.816 4.340 0.002 0.000 0.284 431 L C -1.357 175.277 176.870 -0.393 0.000 1.065 431 L CA 0.050 54.741 54.840 -0.249 0.000 0.806 431 L CB -0.135 41.703 42.059 -0.368 0.000 1.175 431 L HN 0.403 nan 8.230 nan 0.000 0.431 432 Y N 3.491 123.449 120.300 -0.571 0.000 2.602 432 Y HA 0.640 5.191 4.550 0.002 0.000 0.342 432 Y C -0.434 175.119 175.900 -0.579 0.000 1.029 432 Y CA -0.955 56.734 58.100 -0.684 0.000 1.080 432 Y CB 1.712 39.485 38.460 -1.145 0.000 1.284 432 Y HN 0.568 nan 8.280 nan 0.000 0.485 433 K N 2.147 122.386 120.400 -0.269 0.000 2.482 433 K HA 0.730 5.051 4.320 0.002 0.000 0.251 433 K C -2.045 174.519 176.600 -0.060 0.000 0.936 433 K CA -0.661 55.436 56.287 -0.317 0.000 0.791 433 K CB 2.508 34.638 32.500 -0.617 0.000 1.213 433 K HN 0.764 nan 8.250 nan 0.000 0.428 434 I N 2.009 122.626 120.570 0.078 0.000 2.474 434 I HA 0.212 4.384 4.170 0.002 0.000 0.294 434 I C -0.781 175.459 176.117 0.206 0.000 1.005 434 I CA -0.812 60.604 61.300 0.194 0.000 1.113 434 I CB 2.117 40.235 38.000 0.197 0.000 1.289 434 I HN 0.828 nan 8.210 nan 0.000 0.436 435 Q N 5.091 124.987 119.800 0.160 0.000 2.293 435 Q HA 0.140 4.481 4.340 0.002 0.000 0.263 435 Q C 0.236 176.183 176.000 -0.088 0.000 1.002 435 Q CA -0.591 55.090 55.803 -0.203 0.000 0.910 435 Q CB 1.249 29.923 28.738 -0.107 0.000 1.185 435 Q HN 0.696 nan 8.270 nan 0.000 0.401 436 L N 2.759 123.863 121.223 -0.197 0.000 2.362 436 L HA -0.108 4.233 4.340 0.002 0.000 0.219 436 L C 1.765 178.607 176.870 -0.046 0.000 1.134 436 L CA 1.344 56.172 54.840 -0.020 0.000 0.807 436 L CB -0.504 41.504 42.059 -0.085 0.000 0.927 436 L HN 0.556 nan 8.230 nan 0.000 0.447 437 S N -1.646 113.967 115.700 -0.145 0.000 2.478 437 S HA 0.019 4.490 4.470 0.002 0.000 0.222 437 S C 0.473 174.943 174.600 -0.217 0.000 1.008 437 S CA 0.232 58.327 58.200 -0.175 0.000 0.928 437 S CB 0.194 63.305 63.200 -0.148 0.000 0.781 437 S HN 0.406 nan 8.310 nan 0.000 0.518 438 D N -0.383 119.925 120.400 -0.155 0.000 2.365 438 D HA 0.238 4.879 4.640 0.002 0.000 0.235 438 D C -0.184 176.139 176.300 0.039 0.000 1.368 438 D CA -0.565 53.354 54.000 -0.135 0.000 1.001 438 D CB 0.195 40.952 40.800 -0.071 0.000 1.364 438 D HN -0.138 nan 8.370 nan 0.000 0.577 439 Y N 1.626 121.907 120.300 -0.031 0.000 2.403 439 Y HA -0.076 4.475 4.550 0.002 0.000 0.291 439 Y C 2.415 178.332 175.900 0.028 0.000 1.143 439 Y CA 0.848 58.947 58.100 -0.002 0.000 1.257 439 Y CB -0.952 37.503 38.460 -0.009 0.000 0.984 439 Y HN 0.378 nan 8.280 nan 0.000 0.550 440 T N 0.006 114.650 114.554 0.150 0.000 2.929 440 T HA -0.129 4.222 4.350 0.002 0.000 0.271 440 T C 0.918 175.679 174.700 0.102 0.000 1.085 440 T CA 0.993 63.154 62.100 0.101 0.000 1.125 440 T CB -0.234 68.663 68.868 0.048 0.000 0.874 440 T HN 0.217 nan 8.240 nan 0.000 0.494 441 K N 2.084 122.550 120.400 0.109 0.000 2.222 441 K HA 0.357 4.678 4.320 0.002 0.000 0.243 441 K C -0.748 175.939 176.600 0.144 0.000 1.160 441 K CA -0.213 56.139 56.287 0.109 0.000 1.090 441 K CB 0.838 33.396 32.500 0.096 0.000 1.694 441 K HN 0.073 nan 8.250 nan 0.000 0.361 442 V N 1.460 121.460 119.914 0.143 0.000 2.427 442 V HA 0.371 4.492 4.120 0.002 0.000 0.286 442 V C -0.687 175.466 176.094 0.099 0.000 1.034 442 V CA 0.088 62.489 62.300 0.168 0.000 0.893 442 V CB 1.732 33.701 31.823 0.244 0.000 0.982 442 V HN 0.448 nan 8.190 nan 0.000 0.452 443 T N 6.466 121.035 114.554 0.024 0.000 2.840 443 T HA 0.285 4.636 4.350 0.002 0.000 0.287 443 T C -0.614 173.913 174.700 -0.287 0.000 0.991 443 T CA -0.231 61.808 62.100 -0.101 0.000 0.964 443 T CB 0.908 69.703 68.868 -0.122 0.000 0.954 443 T HN 0.974 nan 8.240 nan 0.000 0.438 444 C N 5.023 124.041 119.300 -0.469 0.000 2.585 444 C HA 0.434 4.895 4.460 0.002 0.000 0.406 444 C C 1.459 176.072 174.990 -0.629 0.000 1.312 444 C CA -0.377 58.061 59.018 -0.966 0.000 1.924 444 C CB -1.441 25.615 27.740 -1.140 0.000 2.578 444 C HN 0.958 nan 8.230 nan 0.000 0.580 445 L N 4.760 125.606 121.223 -0.628 0.000 2.693 445 L HA 0.154 4.495 4.340 0.002 0.000 0.235 445 L C 1.849 178.407 176.870 -0.520 0.000 1.127 445 L CA 0.407 54.981 54.840 -0.443 0.000 0.914 445 L CB -0.108 41.743 42.059 -0.347 0.000 1.193 445 L HN 0.877 nan 8.230 nan 0.000 0.502 446 S N -3.155 112.131 115.700 -0.689 0.000 2.727 446 S HA -0.024 4.447 4.470 0.002 0.000 0.249 446 S C 1.841 176.051 174.600 -0.649 0.000 1.079 446 S CA 0.131 57.798 58.200 -0.888 0.000 0.912 446 S CB -0.253 62.089 63.200 -1.430 0.000 0.861 446 S HN 0.278 nan 8.310 nan 0.000 0.484 447 C N 2.480 121.373 119.300 -0.678 0.000 2.304 447 C HA -0.149 4.313 4.460 0.002 0.000 0.269 447 C C 2.638 177.355 174.990 -0.455 0.000 1.136 447 C CA 1.960 60.494 59.018 -0.808 0.000 1.796 447 C CB -1.249 25.725 27.740 -1.277 0.000 2.017 447 C HN 0.628 nan 8.230 nan 0.000 0.431 448 E N 0.055 120.054 120.200 -0.335 0.000 2.478 448 E HA 0.108 4.459 4.350 0.002 0.000 0.194 448 E C 1.991 178.545 176.600 -0.077 0.000 1.045 448 E CA 0.010 56.325 56.400 -0.143 0.000 0.868 448 E CB -0.314 29.319 29.700 -0.111 0.000 0.885 448 E HN 0.567 nan 8.360 nan 0.000 0.505 449 L N 0.277 121.443 121.223 -0.094 0.000 2.089 449 L HA -0.184 4.157 4.340 0.002 0.000 0.213 449 L C 0.901 177.789 176.870 0.030 0.000 1.079 449 L CA 1.145 55.974 54.840 -0.017 0.000 0.758 449 L CB -0.119 41.943 42.059 0.005 0.000 0.891 449 L HN 0.189 nan 8.230 nan 0.000 0.433 450 N N -1.923 116.811 118.700 0.058 0.000 3.091 450 N HA 0.044 4.785 4.740 0.002 0.000 0.185 450 N C -1.930 173.615 175.510 0.059 0.000 1.398 450 N CA -0.693 52.386 53.050 0.048 0.000 0.938 450 N CB 0.434 38.946 38.487 0.041 0.000 1.605 450 N HN -0.188 nan 8.380 nan 0.000 0.597 451 P HA -0.224 nan 4.420 nan 0.000 0.218 451 P C 0.853 178.200 177.300 0.078 0.000 1.152 451 P CA 1.369 64.532 63.100 0.105 0.000 0.857 451 P CB 0.556 32.331 31.700 0.125 0.000 0.787 452 E N -0.344 119.882 120.200 0.044 0.000 2.051 452 E HA -0.171 4.180 4.350 0.002 0.000 0.192 452 E C 2.312 178.912 176.600 0.000 0.000 0.991 452 E CA 1.066 57.479 56.400 0.022 0.000 0.799 452 E CB -0.408 29.298 29.700 0.009 0.000 0.748 452 E HN 0.360 nan 8.360 nan 0.000 0.449 453 R N -0.390 120.099 120.500 -0.018 0.000 2.237 453 R HA 0.075 4.416 4.340 0.002 0.000 0.195 453 R C -0.074 176.170 176.300 -0.094 0.000 0.956 453 R CA 0.376 56.440 56.100 -0.061 0.000 1.029 453 R CB 0.508 30.763 30.300 -0.075 0.000 0.972 453 R HN 0.030 nan 8.270 nan 0.000 0.493 454 c N 1.006 119.560 118.600 -0.076 0.000 2.381 454 c HA 0.415 4.986 4.570 0.002 0.000 0.328 454 c C -0.165 173.886 174.090 -0.065 0.000 1.190 454 c CA -0.749 55.463 56.329 -0.195 0.000 1.369 454 c CB 1.542 43.829 42.510 -0.371 0.000 2.029 454 c HN 0.501 nan 8.230 nan 0.000 0.448 455 Q N 0.443 120.206 119.800 -0.062 0.000 2.064 455 Q HA 0.180 4.521 4.340 0.002 0.000 0.213 455 Q C -1.013 175.039 176.000 0.087 0.000 0.779 455 Q CA -0.071 55.784 55.803 0.086 0.000 1.032 455 Q CB 1.282 30.088 28.738 0.113 0.000 1.203 455 Q HN 0.784 nan 8.270 nan 0.000 0.457 456 Y N 0.669 120.863 120.300 -0.176 0.000 2.475 456 Y HA 0.362 4.913 4.550 0.002 0.000 0.343 456 Y C -1.627 174.145 175.900 -0.214 0.000 1.068 456 Y CA -1.172 56.854 58.100 -0.123 0.000 1.307 456 Y CB 0.538 38.932 38.460 -0.110 0.000 1.097 456 Y HN -0.046 nan 8.280 nan 0.000 0.530 457 Y N 1.601 121.849 120.300 -0.087 0.000 2.496 457 Y HA 0.691 5.242 4.550 0.002 0.000 0.331 457 Y C 0.373 176.237 175.900 -0.061 0.000 1.140 457 Y CA -0.621 57.443 58.100 -0.060 0.000 1.166 457 Y CB 2.075 40.463 38.460 -0.119 0.000 1.249 457 Y HN 0.428 nan 8.280 nan 0.000 0.479 458 S N 0.514 116.317 115.700 0.172 0.000 2.569 458 S HA 0.825 5.296 4.470 0.002 0.000 0.280 458 S C -1.718 172.945 174.600 0.103 0.000 1.111 458 S CA -0.706 57.570 58.200 0.127 0.000 0.887 458 S CB 1.694 64.987 63.200 0.155 0.000 1.095 458 S HN 0.658 nan 8.310 nan 0.000 0.476 459 V N 0.848 120.814 119.914 0.087 0.000 3.102 459 V HA 0.917 5.038 4.120 0.002 0.000 0.312 459 V C -1.030 175.125 176.094 0.102 0.000 1.135 459 V CA -0.310 61.998 62.300 0.014 0.000 1.022 459 V CB 2.356 34.082 31.823 -0.162 0.000 1.056 459 V HN 1.223 nan 8.190 nan 0.000 0.436 460 S N 3.720 119.458 115.700 0.063 0.000 2.721 460 S HA 0.602 5.074 4.470 0.002 0.000 0.264 460 S C -1.209 173.532 174.600 0.235 0.000 1.161 460 S CA -0.438 57.915 58.200 0.255 0.000 1.113 460 S CB 0.184 63.587 63.200 0.339 0.000 1.079 460 S HN 0.480 nan 8.310 nan 0.000 0.479 461 F N 3.023 123.029 119.950 0.092 0.000 2.382 461 F HA 0.457 4.985 4.527 0.002 0.000 0.331 461 F C 1.485 176.872 175.800 -0.688 0.000 1.121 461 F CA -0.306 57.579 58.000 -0.191 0.000 1.183 461 F CB 1.094 39.968 39.000 -0.210 0.000 1.207 461 F HN 0.598 nan 8.300 nan 0.000 0.555 462 S N 1.679 116.778 115.700 -1.000 0.000 2.624 462 S HA 0.182 4.653 4.470 0.002 0.000 0.263 462 S C 1.181 175.561 174.600 -0.368 0.000 1.287 462 S CA -0.876 56.537 58.200 -1.311 0.000 0.990 462 S CB 0.810 63.258 63.200 -1.252 0.000 0.950 462 S HN 0.511 nan 8.310 nan 0.000 0.561 463 K N 0.934 121.246 120.400 -0.147 0.000 2.107 463 K HA -0.141 4.180 4.320 0.002 0.000 0.211 463 K C 1.198 177.787 176.600 -0.018 0.000 1.049 463 K CA 1.693 57.979 56.287 -0.002 0.000 0.927 463 K CB -0.475 32.066 32.500 0.069 0.000 0.714 463 K HN 0.680 nan 8.250 nan 0.000 0.452 464 E N -1.141 119.016 120.200 -0.072 0.000 2.501 464 E HA 0.221 4.572 4.350 0.002 0.000 0.201 464 E C -0.055 176.503 176.600 -0.070 0.000 1.016 464 E CA 0.272 56.643 56.400 -0.049 0.000 0.920 464 E CB 0.555 30.227 29.700 -0.048 0.000 1.023 464 E HN 0.241 nan 8.360 nan 0.000 0.474 465 A N 1.520 124.286 122.820 -0.090 0.000 2.914 465 A HA -0.276 4.045 4.320 0.002 0.000 0.280 465 A C 1.275 178.823 177.584 -0.059 0.000 1.447 465 A CA 1.495 53.526 52.037 -0.009 0.000 0.759 465 A CB -2.195 16.730 19.000 -0.125 0.000 1.034 465 A HN 0.233 nan 8.150 nan 0.000 0.529 466 K N -1.706 118.550 120.400 -0.240 0.000 2.308 466 K HA 0.327 4.648 4.320 0.002 0.000 0.197 466 K C -0.030 176.155 176.600 -0.691 0.000 1.049 466 K CA 0.917 56.926 56.287 -0.463 0.000 0.991 466 K CB 0.215 32.329 32.500 -0.644 0.000 0.836 466 K HN 0.620 nan 8.250 nan 0.000 0.500 467 Y N -0.615 119.523 120.300 -0.270 0.000 2.581 467 Y HA 0.337 4.888 4.550 0.002 0.000 0.345 467 Y C -1.093 174.604 175.900 -0.339 0.000 1.036 467 Y CA -1.311 56.601 58.100 -0.313 0.000 1.042 467 Y CB 1.782 40.076 38.460 -0.278 0.000 1.289 467 Y HN -0.006 nan 8.280 nan 0.000 0.471 468 Y N -0.785 119.457 120.300 -0.096 0.000 2.519 468 Y HA 0.532 5.083 4.550 0.002 0.000 0.336 468 Y C -1.370 174.498 175.900 -0.053 0.000 1.089 468 Y CA -1.278 56.621 58.100 -0.335 0.000 1.025 468 Y CB 1.660 39.429 38.460 -1.151 0.000 1.318 468 Y HN 0.582 nan 8.280 nan 0.000 0.452 469 Q N 4.350 124.291 119.800 0.235 0.000 2.325 469 Q HA 0.511 4.852 4.340 0.002 0.000 0.262 469 Q C -1.818 174.258 176.000 0.128 0.000 0.968 469 Q CA -0.706 55.205 55.803 0.180 0.000 0.877 469 Q CB 1.406 30.220 28.738 0.127 0.000 1.253 469 Q HN 0.970 nan 8.270 nan 0.000 0.448 470 L N 4.386 125.679 121.223 0.116 0.000 2.292 470 L HA 0.462 4.803 4.340 0.002 0.000 0.284 470 L C -0.055 176.878 176.870 0.106 0.000 1.065 470 L CA -0.370 54.518 54.840 0.079 0.000 0.806 470 L CB 1.014 43.069 42.059 -0.006 0.000 1.175 470 L HN 0.585 nan 8.230 nan 0.000 0.431 471 R N 2.708 123.260 120.500 0.088 0.000 2.310 471 R HA 0.265 4.606 4.340 0.002 0.000 0.316 471 R C -0.875 175.313 176.300 -0.187 0.000 1.004 471 R CA -0.507 55.513 56.100 -0.134 0.000 0.900 471 R CB 1.278 31.583 30.300 0.009 0.000 1.152 471 R HN 0.579 nan 8.270 nan 0.000 0.513 472 c N 2.911 121.274 118.600 -0.395 0.000 2.394 472 c HA 0.315 4.886 4.570 0.002 0.000 0.362 472 c C 1.332 175.185 174.090 -0.396 0.000 1.268 472 c CA -0.275 55.705 56.329 -0.581 0.000 1.828 472 c CB -0.215 41.941 42.510 -0.590 0.000 2.442 472 c HN 0.937 nan 8.230 nan 0.000 0.549 473 S N 3.822 119.375 115.700 -0.245 0.000 2.754 473 S HA 0.634 5.105 4.470 0.002 0.000 0.247 473 S C 0.278 174.823 174.600 -0.091 0.000 1.031 473 S CA 0.179 58.297 58.200 -0.135 0.000 1.014 473 S CB 0.009 63.162 63.200 -0.078 0.000 0.918 473 S HN 1.955 nan 8.310 nan 0.000 0.519 474 G N 2.030 110.754 108.800 -0.125 0.000 2.352 474 G HA2 0.323 4.284 3.960 0.002 0.000 0.302 474 G HA3 0.323 4.284 3.960 0.002 0.000 0.302 474 G C -3.026 171.833 174.900 -0.070 0.000 1.370 474 G CA -0.495 44.571 45.100 -0.057 0.000 0.918 474 G HN -0.118 nan 8.290 nan 0.000 0.610 475 P HA 0.118 nan 4.420 nan 0.000 0.233 475 P C 1.303 178.600 177.300 -0.004 0.000 1.167 475 P CA 1.427 64.537 63.100 0.017 0.000 0.770 475 P CB 0.365 32.081 31.700 0.026 0.000 0.837 476 G N 0.364 109.098 108.800 -0.110 0.000 2.509 476 G HA2 0.406 4.367 3.960 0.002 0.000 0.269 476 G HA3 0.406 4.367 3.960 0.002 0.000 0.269 476 G C -0.268 174.352 174.900 -0.467 0.000 1.416 476 G CA -0.750 44.208 45.100 -0.236 0.000 1.052 476 G HN 0.023 nan 8.290 nan 0.000 0.542 477 L N 1.276 122.170 121.223 -0.549 0.000 2.456 477 L HA 0.164 4.505 4.340 0.002 0.000 0.272 477 L C -1.905 174.773 176.870 -0.320 0.000 1.189 477 L CA -1.265 53.208 54.840 -0.613 0.000 0.846 477 L CB 0.734 42.541 42.059 -0.420 0.000 1.111 477 L HN 0.225 nan 8.230 nan 0.000 0.475 478 P HA -0.032 nan 4.420 nan 0.000 0.263 478 P C -0.881 176.323 177.300 -0.160 0.000 1.175 478 P CA 0.148 63.152 63.100 -0.160 0.000 0.761 478 P CB 0.446 32.159 31.700 0.022 0.000 0.794 479 L N 5.762 126.795 121.223 -0.315 0.000 2.409 479 L HA 0.466 4.807 4.340 0.002 0.000 0.272 479 L C -1.641 175.028 176.870 -0.335 0.000 0.980 479 L CA -0.757 53.964 54.840 -0.198 0.000 0.826 479 L CB 0.878 42.856 42.059 -0.135 0.000 1.268 479 L HN 0.242 nan 8.230 nan 0.000 0.407 480 Y N 2.836 123.111 120.300 -0.042 0.000 2.328 480 Y HA 0.731 5.282 4.550 0.002 0.000 0.337 480 Y C 0.556 176.369 175.900 -0.144 0.000 0.966 480 Y CA -0.537 57.519 58.100 -0.073 0.000 1.136 480 Y CB 2.019 40.416 38.460 -0.104 0.000 1.170 480 Y HN 0.666 nan 8.280 nan 0.000 0.470 481 T N 1.080 115.665 114.554 0.052 0.000 2.883 481 T HA 0.737 5.088 4.350 0.002 0.000 0.296 481 T C -1.365 173.360 174.700 0.042 0.000 1.117 481 T CA -0.950 61.149 62.100 -0.002 0.000 1.006 481 T CB 1.749 70.671 68.868 0.089 0.000 1.191 481 T HN 0.561 nan 8.240 nan 0.000 0.508 482 L N 1.575 122.734 121.223 -0.107 0.000 2.346 482 L HA 0.665 5.006 4.340 0.002 0.000 0.276 482 L C -1.063 175.684 176.870 -0.206 0.000 1.006 482 L CA -0.783 54.036 54.840 -0.036 0.000 0.817 482 L CB 1.648 43.646 42.059 -0.101 0.000 1.272 482 L HN 0.887 nan 8.230 nan 0.000 0.421 483 H N 0.391 119.238 119.070 -0.371 0.000 2.908 483 H HA 0.582 5.139 4.556 0.002 0.000 0.350 483 H C -0.707 174.330 175.328 -0.485 0.000 1.217 483 H CA -0.866 54.866 56.048 -0.526 0.000 1.168 483 H CB 1.963 31.183 29.762 -0.903 0.000 1.891 483 H HN 0.422 nan 8.280 nan 0.000 0.566 484 S N -0.634 114.931 115.700 -0.226 0.000 2.502 484 S HA 0.305 4.776 4.470 0.002 0.000 0.304 484 S C 0.232 174.720 174.600 -0.187 0.000 1.097 484 S CA -0.643 57.448 58.200 -0.182 0.000 1.045 484 S CB 1.633 64.796 63.200 -0.061 0.000 1.019 484 S HN 0.535 nan 8.310 nan 0.000 0.481 485 S N 2.230 117.851 115.700 -0.133 0.000 2.419 485 S HA -0.123 4.348 4.470 0.002 0.000 0.233 485 S C 1.829 176.453 174.600 0.039 0.000 1.016 485 S CA 1.003 59.253 58.200 0.083 0.000 0.974 485 S CB -0.488 62.788 63.200 0.127 0.000 0.786 485 S HN 0.776 nan 8.310 nan 0.000 0.492 486 V N 2.031 121.918 119.914 -0.045 0.000 2.407 486 V HA -0.130 3.992 4.120 0.002 0.000 0.248 486 V C 1.318 177.409 176.094 -0.007 0.000 1.055 486 V CA 1.947 64.235 62.300 -0.020 0.000 1.049 486 V CB -0.339 31.455 31.823 -0.049 0.000 0.662 486 V HN 0.571 nan 8.190 nan 0.000 0.455 487 N N -1.944 116.746 118.700 -0.017 0.000 2.113 487 N HA 0.080 4.821 4.740 0.002 0.000 0.223 487 N C -0.530 174.977 175.510 -0.007 0.000 1.310 487 N CA 0.552 53.594 53.050 -0.013 0.000 0.896 487 N CB 0.734 39.213 38.487 -0.014 0.000 1.097 487 N HN 0.365 nan 8.380 nan 0.000 0.507 488 D N 1.365 121.772 120.400 0.011 0.000 2.870 488 D HA -0.140 4.501 4.640 0.002 0.000 0.228 488 D C -0.462 175.858 176.300 0.033 0.000 1.147 488 D CA 1.093 55.127 54.000 0.058 0.000 0.757 488 D CB -1.149 39.687 40.800 0.059 0.000 1.091 488 D HN 0.389 nan 8.370 nan 0.000 0.429 489 K N 0.329 120.719 120.400 -0.017 0.000 2.237 489 K HA 0.430 4.751 4.320 0.002 0.000 0.270 489 K C 1.089 177.624 176.600 -0.109 0.000 1.015 489 K CA 0.008 56.270 56.287 -0.042 0.000 0.949 489 K CB 0.932 33.405 32.500 -0.046 0.000 0.976 489 K HN 0.115 nan 8.250 nan 0.000 0.472 490 G N 2.461 111.158 108.800 -0.170 0.000 2.333 490 G HA2 0.216 4.177 3.960 0.002 0.000 0.290 490 G HA3 0.216 4.177 3.960 0.002 0.000 0.290 490 G C 0.719 175.437 174.900 -0.304 0.000 1.150 490 G CA -0.458 44.387 45.100 -0.425 0.000 0.895 490 G HN 0.547 nan 8.290 nan 0.000 0.444 491 L N 1.679 122.693 121.223 -0.348 0.000 2.145 491 L HA 0.321 4.662 4.340 0.002 0.000 0.201 491 L C 1.479 178.240 176.870 -0.182 0.000 1.075 491 L CA 0.730 55.450 54.840 -0.200 0.000 0.773 491 L CB -0.154 41.809 42.059 -0.161 0.000 0.936 491 L HN 0.760 nan 8.230 nan 0.000 0.451 492 R N -2.246 118.113 120.500 -0.235 0.000 3.062 492 R HA 0.317 4.658 4.340 0.002 0.000 0.279 492 R C -1.616 174.563 176.300 -0.201 0.000 1.003 492 R CA -0.918 55.074 56.100 -0.180 0.000 0.872 492 R CB 0.921 31.144 30.300 -0.129 0.000 1.280 492 R HN -0.290 nan 8.270 nan 0.000 0.516 493 V N 2.956 122.775 119.914 -0.157 0.000 2.461 493 V HA 0.167 4.288 4.120 0.002 0.000 0.275 493 V C 1.362 177.326 176.094 -0.216 0.000 1.047 493 V CA -0.375 61.835 62.300 -0.149 0.000 0.955 493 V CB 1.057 32.826 31.823 -0.090 0.000 0.988 493 V HN 0.637 nan 8.190 nan 0.000 0.471 494 L N 2.592 123.616 121.223 -0.331 0.000 2.249 494 L HA 0.286 4.627 4.340 0.002 0.000 0.207 494 L C 0.728 177.356 176.870 -0.404 0.000 1.090 494 L CA 0.707 55.140 54.840 -0.679 0.000 0.802 494 L CB 0.164 41.410 42.059 -1.354 0.000 0.947 494 L HN 0.735 nan 8.230 nan 0.000 0.453 495 E N -0.167 119.961 120.200 -0.120 0.000 2.481 495 E HA 0.074 4.425 4.350 0.002 0.000 0.301 495 E C -1.305 175.370 176.600 0.124 0.000 0.948 495 E CA -0.298 56.138 56.400 0.060 0.000 0.804 495 E CB 0.999 30.780 29.700 0.135 0.000 1.265 495 E HN 0.132 nan 8.360 nan 0.000 0.406 496 D N 3.248 123.690 120.400 0.069 0.000 2.469 496 D HA 0.140 4.781 4.640 0.002 0.000 0.215 496 D C -0.302 176.016 176.300 0.029 0.000 1.154 496 D CA -0.272 53.751 54.000 0.037 0.000 0.832 496 D CB -0.082 40.718 40.800 0.001 0.000 1.008 496 D HN 0.470 nan 8.370 nan 0.000 0.506 497 N N 0.796 119.535 118.700 0.066 0.000 2.696 497 N HA -0.235 4.506 4.740 0.002 0.000 0.249 497 N C 1.108 176.631 175.510 0.022 0.000 1.090 497 N CA 0.972 54.054 53.050 0.053 0.000 0.716 497 N CB -1.332 37.177 38.487 0.038 0.000 1.020 497 N HN 0.509 nan 8.380 nan 0.000 0.548 498 S N -0.753 114.959 115.700 0.021 0.000 2.370 498 S HA -0.146 4.325 4.470 0.002 0.000 0.226 498 S C 2.128 176.744 174.600 0.026 0.000 1.033 498 S CA 1.226 59.434 58.200 0.012 0.000 1.011 498 S CB -0.343 62.865 63.200 0.014 0.000 0.852 498 S HN 0.533 nan 8.310 nan 0.000 0.457 499 A N 2.168 125.014 122.820 0.044 0.000 1.883 499 A HA -0.018 4.303 4.320 0.002 0.000 0.217 499 A C 2.279 179.907 177.584 0.072 0.000 1.186 499 A CA 1.792 53.864 52.037 0.059 0.000 0.624 499 A CB -0.992 18.049 19.000 0.068 0.000 0.822 499 A HN 0.565 nan 8.150 nan 0.000 0.444 500 L N 0.300 121.569 121.223 0.077 0.000 2.083 500 L HA -0.149 4.193 4.340 0.002 0.000 0.209 500 L C 1.881 178.780 176.870 0.048 0.000 1.083 500 L CA 2.871 57.769 54.840 0.097 0.000 0.752 500 L CB -0.770 41.351 42.059 0.104 0.000 0.899 500 L HN 0.501 nan 8.230 nan 0.000 0.433 501 D N -0.780 119.625 120.400 0.009 0.000 2.097 501 D HA -0.216 4.425 4.640 0.002 0.000 0.195 501 D C 2.027 178.325 176.300 -0.003 0.000 0.989 501 D CA 1.200 55.186 54.000 -0.022 0.000 0.827 501 D CB 0.069 40.846 40.800 -0.038 0.000 0.966 501 D HN 0.091 nan 8.370 nan 0.000 0.456 502 K N -0.101 120.310 120.400 0.019 0.000 2.074 502 K HA -0.162 4.159 4.320 0.002 0.000 0.209 502 K C 2.260 178.884 176.600 0.041 0.000 1.048 502 K CA 0.971 57.276 56.287 0.029 0.000 0.926 502 K CB -0.578 31.946 32.500 0.039 0.000 0.713 502 K HN 0.373 nan 8.250 nan 0.000 0.444 503 M N 0.168 119.807 119.600 0.065 0.000 2.077 503 M HA -0.110 4.371 4.480 0.002 0.000 0.261 503 M C 2.023 178.326 176.300 0.006 0.000 1.070 503 M CA 1.318 56.679 55.300 0.102 0.000 1.125 503 M CB -0.167 32.564 32.600 0.218 0.000 1.339 503 M HN 0.014 nan 8.290 nan 0.000 0.409 504 L N 0.449 121.624 121.223 -0.079 0.000 2.447 504 L HA -0.222 4.119 4.340 0.002 0.000 0.225 504 L C 2.464 179.284 176.870 -0.084 0.000 1.148 504 L CA 0.924 55.663 54.840 -0.169 0.000 0.808 504 L CB -0.702 41.277 42.059 -0.134 0.000 0.928 504 L HN 0.528 nan 8.230 nan 0.000 0.448 505 Q N -1.280 118.501 119.800 -0.032 0.000 2.432 505 Q HA -0.069 4.272 4.340 0.002 0.000 0.205 505 Q C 0.809 176.814 176.000 0.008 0.000 0.945 505 Q CA 0.600 56.396 55.803 -0.011 0.000 0.924 505 Q CB -0.086 28.652 28.738 0.000 0.000 1.016 505 Q HN 0.442 nan 8.270 nan 0.000 0.503 506 N N 1.098 119.809 118.700 0.018 0.000 2.322 506 N HA 0.117 4.859 4.740 0.002 0.000 0.216 506 N C -0.871 174.669 175.510 0.051 0.000 1.144 506 N CA 0.164 53.242 53.050 0.046 0.000 0.830 506 N CB 1.526 40.058 38.487 0.074 0.000 1.034 506 N HN 0.126 nan 8.380 nan 0.000 0.484 507 V N 0.534 120.457 119.914 0.015 0.000 2.932 507 V HA 0.188 4.309 4.120 0.002 0.000 0.307 507 V C -1.176 174.917 176.094 -0.001 0.000 1.147 507 V CA -0.817 61.498 62.300 0.025 0.000 0.951 507 V CB 2.303 34.131 31.823 0.009 0.000 1.031 507 V HN 0.018 nan 8.190 nan 0.000 0.426 508 Q N 6.519 126.323 119.800 0.006 0.000 2.489 508 Q HA 0.301 4.642 4.340 0.002 0.000 0.231 508 Q C -0.302 175.665 176.000 -0.054 0.000 1.273 508 Q CA -0.094 55.674 55.803 -0.059 0.000 0.898 508 Q CB 0.391 29.073 28.738 -0.093 0.000 1.545 508 Q HN 0.584 nan 8.270 nan 0.000 0.538 509 M N 3.628 123.190 119.600 -0.064 0.000 2.255 509 M HA 0.341 4.822 4.480 0.002 0.000 0.336 509 M C -1.984 174.266 176.300 -0.084 0.000 1.135 509 M CA -2.542 52.718 55.300 -0.066 0.000 1.145 509 M CB -0.174 32.388 32.600 -0.064 0.000 1.473 509 M HN 0.293 nan 8.290 nan 0.000 0.462 510 P HA 0.236 nan 4.420 nan 0.000 0.276 510 P C -0.955 176.285 177.300 -0.101 0.000 1.244 510 P CA -0.379 62.658 63.100 -0.105 0.000 0.801 510 P CB 0.674 32.302 31.700 -0.120 0.000 1.006 511 S N 0.265 115.894 115.700 -0.119 0.000 2.578 511 S HA 0.551 5.022 4.470 0.002 0.000 0.301 511 S C -0.439 174.082 174.600 -0.132 0.000 1.091 511 S CA -0.853 57.284 58.200 -0.105 0.000 1.032 511 S CB 1.823 64.962 63.200 -0.101 0.000 1.064 511 S HN 0.487 nan 8.310 nan 0.000 0.508 512 K N 0.948 121.294 120.400 -0.090 0.000 2.323 512 K HA 0.385 4.706 4.320 0.002 0.000 0.259 512 K C -1.174 175.382 176.600 -0.073 0.000 0.947 512 K CA -0.532 55.705 56.287 -0.082 0.000 0.819 512 K CB 1.150 33.624 32.500 -0.042 0.000 1.109 512 K HN 0.744 nan 8.250 nan 0.000 0.429 513 K N 5.938 126.286 120.400 -0.087 0.000 2.307 513 K HA 0.300 4.621 4.320 0.002 0.000 0.263 513 K C -1.355 175.214 176.600 -0.052 0.000 0.973 513 K CA -0.641 55.602 56.287 -0.073 0.000 0.846 513 K CB 0.994 33.428 32.500 -0.111 0.000 1.100 513 K HN 0.575 nan 8.250 nan 0.000 0.438 514 L N 4.458 125.670 121.223 -0.020 0.000 2.298 514 L HA 0.439 4.780 4.340 0.002 0.000 0.284 514 L C -1.170 175.718 176.870 0.031 0.000 1.013 514 L CA -0.161 54.699 54.840 0.033 0.000 0.824 514 L CB 1.232 43.366 42.059 0.125 0.000 1.221 514 L HN 0.866 nan 8.230 nan 0.000 0.418 515 D N 2.981 123.250 120.400 -0.218 0.000 2.713 515 D HA 0.442 5.083 4.640 0.002 0.000 0.306 515 D C -1.411 174.535 176.300 -0.590 0.000 1.299 515 D CA -0.160 53.626 54.000 -0.357 0.000 0.823 515 D CB 1.751 42.283 40.800 -0.446 0.000 1.353 515 D HN 0.190 nan 8.370 nan 0.000 0.447 516 F N -0.095 119.483 119.950 -0.621 0.000 2.631 516 F HA 0.808 5.336 4.527 0.002 0.000 0.328 516 F C -0.490 175.373 175.800 0.105 0.000 1.067 516 F CA -1.003 56.752 58.000 -0.407 0.000 0.969 516 F CB 0.785 39.091 39.000 -1.156 0.000 1.332 516 F HN 0.386 nan 8.300 nan 0.000 0.490 517 I N -0.835 119.965 120.570 0.383 0.000 3.239 517 I HA 0.721 4.892 4.170 0.002 0.000 0.314 517 I C -1.584 174.757 176.117 0.372 0.000 1.126 517 I CA -1.393 60.071 61.300 0.275 0.000 0.973 517 I CB 2.659 40.809 38.000 0.251 0.000 1.252 517 I HN 0.636 nan 8.210 nan 0.000 0.463 518 I N 3.290 124.014 120.570 0.257 0.000 2.411 518 I HA 0.369 4.540 4.170 0.002 0.000 0.284 518 I C -0.899 175.352 176.117 0.225 0.000 1.012 518 I CA -0.383 61.070 61.300 0.255 0.000 1.119 518 I CB 1.728 39.840 38.000 0.186 0.000 1.261 518 I HN 0.350 nan 8.210 nan 0.000 0.448 519 L N 7.096 128.521 121.223 0.337 0.000 2.272 519 L HA 0.344 4.685 4.340 0.002 0.000 0.289 519 L C -0.029 176.969 176.870 0.212 0.000 1.032 519 L CA -0.916 54.082 54.840 0.263 0.000 0.810 519 L CB 0.916 43.166 42.059 0.319 0.000 1.205 519 L HN 0.743 nan 8.230 nan 0.000 0.422 520 N N 4.368 123.138 118.700 0.117 0.000 2.843 520 N HA -0.296 4.446 4.740 0.002 0.000 0.303 520 N C 0.278 175.835 175.510 0.077 0.000 1.092 520 N CA 0.966 54.063 53.050 0.079 0.000 0.802 520 N CB -0.495 38.022 38.487 0.051 0.000 0.984 520 N HN 0.812 nan 8.380 nan 0.000 0.595 521 E N -2.928 117.310 120.200 0.064 0.000 4.363 521 E HA -0.192 4.160 4.350 0.002 0.000 0.168 521 E C -0.154 176.459 176.600 0.022 0.000 1.142 521 E CA 2.131 58.554 56.400 0.039 0.000 2.522 521 E CB -1.830 27.884 29.700 0.023 0.000 1.706 521 E HN 0.743 nan 8.360 nan 0.000 0.510 522 T N 3.799 118.362 114.554 0.015 0.000 2.898 522 T HA 0.339 4.690 4.350 0.002 0.000 0.301 522 T C 0.518 175.128 174.700 -0.150 0.000 1.049 522 T CA 0.165 62.193 62.100 -0.120 0.000 1.095 522 T CB 0.871 69.600 68.868 -0.233 0.000 0.976 522 T HN 0.190 nan 8.240 nan 0.000 0.539 523 K N 1.937 122.158 120.400 -0.299 0.000 2.206 523 K HA 0.541 4.862 4.320 0.002 0.000 0.264 523 K C -1.547 174.831 176.600 -0.369 0.000 0.967 523 K CA -0.658 55.519 56.287 -0.184 0.000 0.844 523 K CB 1.097 33.419 32.500 -0.296 0.000 1.099 523 K HN 0.367 nan 8.250 nan 0.000 0.441 524 F N 1.649 121.705 119.950 0.177 0.000 2.482 524 F HA 0.391 4.919 4.527 0.002 0.000 0.331 524 F C -0.571 175.369 175.800 0.233 0.000 1.115 524 F CA -0.744 57.361 58.000 0.176 0.000 0.955 524 F CB 1.123 40.206 39.000 0.138 0.000 1.136 524 F HN 0.519 nan 8.300 nan 0.000 0.452 525 W N 3.127 124.605 121.300 0.297 0.000 2.303 525 W HA 0.503 5.164 4.660 0.002 0.000 0.334 525 W C -0.550 176.203 176.519 0.391 0.000 1.197 525 W CA -0.518 57.017 57.345 0.318 0.000 1.262 525 W CB 0.475 30.035 29.460 0.167 0.000 1.153 525 W HN 0.452 nan 8.180 nan 0.000 0.596 526 Y N -0.685 119.975 120.300 0.600 0.000 2.655 526 Y HA 0.683 5.234 4.550 0.002 0.000 0.336 526 Y C -1.129 175.014 175.900 0.406 0.000 1.154 526 Y CA -1.942 56.508 58.100 0.583 0.000 1.055 526 Y CB 1.226 40.184 38.460 0.831 0.000 1.295 526 Y HN 0.550 nan 8.280 nan 0.000 0.465 527 Q N 1.793 121.876 119.800 0.470 0.000 2.340 527 Q HA 0.715 5.056 4.340 0.002 0.000 0.276 527 Q C -2.044 174.092 176.000 0.227 0.000 1.048 527 Q CA -1.075 54.861 55.803 0.222 0.000 0.832 527 Q CB 3.107 31.938 28.738 0.154 0.000 1.373 527 Q HN 0.866 nan 8.270 nan 0.000 0.409 528 M N 2.700 122.355 119.600 0.092 0.000 2.326 528 M HA 0.461 4.943 4.480 0.002 0.000 0.306 528 M C -1.122 175.118 176.300 -0.099 0.000 1.054 528 M CA -0.952 54.335 55.300 -0.023 0.000 0.922 528 M CB 2.170 34.708 32.600 -0.104 0.000 1.632 528 M HN 0.600 nan 8.290 nan 0.000 0.436 529 I N 5.075 125.587 120.570 -0.098 0.000 2.291 529 I HA 0.314 4.485 4.170 0.002 0.000 0.292 529 I C -0.342 175.652 176.117 -0.206 0.000 1.064 529 I CA -0.202 61.020 61.300 -0.130 0.000 1.269 529 I CB 0.022 37.968 38.000 -0.091 0.000 1.418 529 I HN 0.634 nan 8.210 nan 0.000 0.485 530 L N 8.434 129.482 121.223 -0.291 0.000 2.334 530 L HA 0.426 4.767 4.340 0.002 0.000 0.277 530 L C -2.164 174.560 176.870 -0.244 0.000 1.075 530 L CA -1.741 52.844 54.840 -0.426 0.000 0.804 530 L CB 0.793 42.423 42.059 -0.716 0.000 1.174 530 L HN 0.257 nan 8.230 nan 0.000 0.438 531 P HA 0.145 nan 4.420 nan 0.000 0.272 531 P C -2.511 174.787 177.300 -0.003 0.000 1.230 531 P CA -1.099 61.983 63.100 -0.030 0.000 0.788 531 P CB 0.028 31.794 31.700 0.109 0.000 0.949 532 P HA 0.022 nan 4.420 nan 0.000 0.268 532 P C -0.552 176.695 177.300 -0.089 0.000 1.205 532 P CA 0.494 63.482 63.100 -0.187 0.000 0.771 532 P CB -0.273 31.232 31.700 -0.325 0.000 0.858 533 H N -1.350 117.770 119.070 0.082 0.000 2.839 533 H HA -0.220 4.337 4.556 0.002 0.000 0.298 533 H C 0.075 175.472 175.328 0.115 0.000 1.224 533 H CA -0.533 55.563 56.048 0.079 0.000 1.144 533 H CB -2.076 27.722 29.762 0.060 0.000 1.372 533 H HN 0.355 nan 8.280 nan 0.000 0.408 534 F N 2.475 122.450 119.950 0.042 0.000 2.629 534 F HA 0.119 4.647 4.527 0.002 0.000 0.377 534 F C 0.544 176.350 175.800 0.009 0.000 1.101 534 F CA 0.185 58.153 58.000 -0.053 0.000 1.301 534 F CB 0.553 39.401 39.000 -0.253 0.000 1.062 534 F HN 0.263 nan 8.300 nan 0.000 0.583 535 D N 5.159 125.098 120.400 -0.769 0.000 2.473 535 D HA 0.165 4.806 4.640 0.002 0.000 0.253 535 D C 0.331 176.142 176.300 -0.815 0.000 1.233 535 D CA -0.655 52.990 54.000 -0.591 0.000 0.908 535 D CB 1.054 41.747 40.800 -0.178 0.000 1.170 535 D HN 0.625 nan 8.370 nan 0.000 0.558 536 K N 1.487 121.392 120.400 -0.825 0.000 2.442 536 K HA -0.129 4.192 4.320 0.002 0.000 0.199 536 K C 1.357 177.923 176.600 -0.057 0.000 1.044 536 K CA 0.910 56.959 56.287 -0.397 0.000 0.941 536 K CB 0.078 32.502 32.500 -0.126 0.000 0.759 536 K HN 0.171 nan 8.250 nan 0.000 0.472 537 S N 0.574 116.214 115.700 -0.100 0.000 2.388 537 S HA -0.023 4.448 4.470 0.002 0.000 0.223 537 S C 0.786 175.383 174.600 -0.005 0.000 1.034 537 S CA 0.178 58.361 58.200 -0.029 0.000 0.963 537 S CB 0.020 63.189 63.200 -0.052 0.000 0.827 537 S HN 0.349 nan 8.310 nan 0.000 0.481 538 K N 1.160 121.546 120.400 -0.024 0.000 2.230 538 K HA 0.145 4.466 4.320 0.002 0.000 0.253 538 K C -0.677 175.952 176.600 0.049 0.000 1.008 538 K CA 0.209 56.458 56.287 -0.063 0.000 0.910 538 K CB 0.377 32.750 32.500 -0.213 0.000 0.994 538 K HN 0.103 nan 8.250 nan 0.000 0.495 539 K N 3.004 123.365 120.400 -0.064 0.000 2.464 539 K HA 0.182 4.503 4.320 0.002 0.000 0.252 539 K C -1.349 175.236 176.600 -0.025 0.000 1.000 539 K CA -0.504 55.812 56.287 0.047 0.000 0.951 539 K CB 0.768 33.260 32.500 -0.015 0.000 1.183 539 K HN 0.345 nan 8.250 nan 0.000 0.445 540 Y N 2.942 123.278 120.300 0.061 0.000 2.307 540 Y HA 0.208 4.759 4.550 0.002 0.000 0.324 540 Y C -1.793 174.046 175.900 -0.102 0.000 1.238 540 Y CA -2.442 55.667 58.100 0.016 0.000 1.280 540 Y CB 0.064 38.602 38.460 0.130 0.000 1.248 540 Y HN 0.454 nan 8.280 nan 0.000 0.508 541 P HA 0.263 nan 4.420 nan 0.000 0.277 541 P C -1.175 175.969 177.300 -0.262 0.000 1.240 541 P CA -0.333 62.484 63.100 -0.472 0.000 0.798 541 P CB 1.759 32.873 31.700 -0.976 0.000 0.979 542 L N 2.363 123.454 121.223 -0.221 0.000 2.408 542 L HA 0.535 4.877 4.340 0.002 0.000 0.268 542 L C -1.274 175.776 176.870 0.300 0.000 0.986 542 L CA -1.078 53.800 54.840 0.063 0.000 0.820 542 L CB 1.733 43.827 42.059 0.058 0.000 1.303 542 L HN 0.265 nan 8.230 nan 0.000 0.411 543 L N 5.395 126.818 121.223 0.333 0.000 2.305 543 L HA 0.439 4.781 4.340 0.002 0.000 0.284 543 L C -1.201 175.908 176.870 0.399 0.000 1.013 543 L CA -0.877 54.218 54.840 0.425 0.000 0.819 543 L CB 1.810 44.079 42.059 0.349 0.000 1.227 543 L HN 0.607 nan 8.230 nan 0.000 0.417 544 L N 5.183 126.690 121.223 0.473 0.000 2.259 544 L HA 0.316 4.657 4.340 0.002 0.000 0.288 544 L C -0.162 176.942 176.870 0.390 0.000 1.051 544 L CA 0.031 55.139 54.840 0.446 0.000 0.824 544 L CB 0.701 43.077 42.059 0.528 0.000 1.206 544 L HN 0.458 nan 8.230 nan 0.000 0.429 545 D N 4.052 124.654 120.400 0.337 0.000 2.339 545 D HA 0.175 4.816 4.640 0.002 0.000 0.256 545 D C -0.947 175.429 176.300 0.127 0.000 1.214 545 D CA 0.263 54.370 54.000 0.179 0.000 0.877 545 D CB 1.245 42.195 40.800 0.249 0.000 1.111 545 D HN 0.339 nan 8.370 nan 0.000 0.478 546 V N 5.571 125.490 119.914 0.008 0.000 2.735 546 V HA 0.391 4.512 4.120 0.002 0.000 0.310 546 V C -0.981 175.199 176.094 0.143 0.000 1.061 546 V CA -0.449 61.920 62.300 0.114 0.000 0.913 546 V CB 1.876 33.769 31.823 0.117 0.000 1.005 546 V HN 0.644 nan 8.190 nan 0.000 0.428 547 Y N 5.013 125.380 120.300 0.112 0.000 3.116 547 Y HA 0.532 5.083 4.550 0.002 0.000 0.220 547 Y C 1.601 177.647 175.900 0.243 0.000 0.965 547 Y CA 1.276 59.473 58.100 0.161 0.000 1.476 547 Y CB 0.145 38.677 38.460 0.121 0.000 1.493 547 Y HN 1.080 nan 8.280 nan 0.000 0.423 548 A N 1.089 124.047 122.820 0.229 0.000 2.790 548 A HA -0.184 4.137 4.320 0.002 0.000 0.277 548 A C 1.014 178.513 177.584 -0.142 0.000 1.435 548 A CA 1.033 53.146 52.037 0.128 0.000 0.877 548 A CB -2.373 16.740 19.000 0.188 0.000 1.007 548 A HN 0.899 nan 8.150 nan 0.000 0.613 549 G N -0.460 108.068 108.800 -0.453 0.000 2.606 549 G HA2 0.478 4.439 3.960 0.002 0.000 0.252 549 G HA3 0.478 4.439 3.960 0.002 0.000 0.252 549 G C -1.801 172.830 174.900 -0.448 0.000 1.206 549 G CA -0.563 43.898 45.100 -1.066 0.000 0.861 549 G HN 0.435 nan 8.290 nan 0.000 0.561 550 P HA 0.052 nan 4.420 nan 0.000 0.267 550 P C 0.550 177.715 177.300 -0.226 0.000 1.209 550 P CA 0.204 63.055 63.100 -0.415 0.000 0.763 550 P CB 0.832 31.947 31.700 -0.976 0.000 0.816 551 C N 2.440 121.670 119.300 -0.117 0.000 4.507 551 C HA -0.132 4.329 4.460 0.002 0.000 0.285 551 C C 0.886 175.879 174.990 0.005 0.000 1.335 551 C CA 1.070 59.974 59.018 -0.189 0.000 1.953 551 C CB -2.649 24.826 27.740 -0.441 0.000 1.262 551 C HN 0.802 nan 8.230 nan 0.000 0.776 552 S N -0.111 115.668 115.700 0.133 0.000 2.713 552 S HA 0.687 5.158 4.470 0.002 0.000 0.283 552 S C -0.627 174.141 174.600 0.279 0.000 1.161 552 S CA -0.188 58.181 58.200 0.281 0.000 0.999 552 S CB 1.786 65.227 63.200 0.402 0.000 1.039 552 S HN 0.766 nan 8.310 nan 0.000 0.548 553 Q N -0.050 119.923 119.800 0.289 0.000 2.709 553 Q HA 0.277 4.618 4.340 0.002 0.000 0.232 553 Q C -0.648 175.461 176.000 0.183 0.000 0.856 553 Q CA -0.497 55.459 55.803 0.256 0.000 0.788 553 Q CB 0.847 29.776 28.738 0.318 0.000 1.386 553 Q HN 0.661 nan 8.270 nan 0.000 0.453 554 K N 0.335 120.848 120.400 0.188 0.000 2.393 554 K HA 0.258 4.579 4.320 0.002 0.000 0.193 554 K C 0.027 176.727 176.600 0.167 0.000 1.026 554 K CA 0.298 56.686 56.287 0.168 0.000 1.064 554 K CB 1.056 33.682 32.500 0.210 0.000 0.833 554 K HN 0.448 nan 8.250 nan 0.000 0.521 555 A N 2.779 125.708 122.820 0.182 0.000 2.322 555 A HA 0.390 4.711 4.320 0.002 0.000 0.327 555 A C -0.756 176.897 177.584 0.115 0.000 1.394 555 A CA -0.607 51.542 52.037 0.186 0.000 0.921 555 A CB 0.051 19.221 19.000 0.284 0.000 1.153 555 A HN 0.247 nan 8.150 nan 0.000 0.523 556 D N -0.147 120.299 120.400 0.076 0.000 2.798 556 D HA 0.487 5.128 4.640 0.002 0.000 0.308 556 D C 0.416 176.735 176.300 0.032 0.000 1.187 556 D CA 0.237 54.269 54.000 0.054 0.000 1.033 556 D CB 0.483 41.311 40.800 0.047 0.000 1.445 556 D HN 0.152 nan 8.370 nan 0.000 0.550 557 T N -2.302 112.287 114.554 0.058 0.000 3.186 557 T HA 0.338 4.689 4.350 0.002 0.000 0.257 557 T C 0.211 174.888 174.700 -0.039 0.000 1.029 557 T CA -0.425 61.701 62.100 0.043 0.000 0.916 557 T CB -0.720 68.209 68.868 0.102 0.000 1.041 557 T HN 0.257 nan 8.240 nan 0.000 0.562 558 V N 2.444 122.241 119.914 -0.195 0.000 2.686 558 V HA 0.374 4.495 4.120 0.002 0.000 0.295 558 V C 0.079 176.131 176.094 -0.070 0.000 1.055 558 V CA -1.039 61.103 62.300 -0.263 0.000 1.050 558 V CB 0.278 31.819 31.823 -0.469 0.000 0.984 558 V HN 0.566 nan 8.190 nan 0.000 0.482 559 F N 6.096 125.951 119.950 -0.158 0.000 2.420 559 F HA 0.580 5.108 4.527 0.002 0.000 0.352 559 F C 0.455 176.201 175.800 -0.090 0.000 1.108 559 F CA -0.230 57.704 58.000 -0.110 0.000 1.162 559 F CB 0.296 39.238 39.000 -0.096 0.000 1.118 559 F HN 0.432 nan 8.300 nan 0.000 0.510 560 R N 5.964 126.015 120.500 -0.749 0.000 2.673 560 R HA 0.509 4.850 4.340 0.002 0.000 0.281 560 R C -1.866 174.020 176.300 -0.691 0.000 0.991 560 R CA -1.197 54.569 56.100 -0.558 0.000 0.896 560 R CB 1.878 32.026 30.300 -0.254 0.000 1.201 560 R HN 0.466 nan 8.270 nan 0.000 0.457 561 L N 4.257 125.224 121.223 -0.427 0.000 2.426 561 L HA 0.292 4.633 4.340 0.002 0.000 0.255 561 L C -0.654 176.198 176.870 -0.030 0.000 1.080 561 L CA -0.454 54.194 54.840 -0.321 0.000 0.960 561 L CB -0.083 41.904 42.059 -0.119 0.000 1.326 561 L HN 0.690 nan 8.230 nan 0.000 0.441 562 N N -0.978 117.640 118.700 -0.136 0.000 3.294 562 N HA 0.191 4.932 4.740 0.002 0.000 0.355 562 N C 0.655 175.869 175.510 -0.493 0.000 1.497 562 N CA -0.785 52.106 53.050 -0.265 0.000 0.707 562 N CB -0.104 38.334 38.487 -0.081 0.000 1.732 562 N HN 0.138 nan 8.380 nan 0.000 0.640 563 W N 0.362 121.095 121.300 -0.944 0.000 2.342 563 W HA 0.073 4.734 4.660 0.001 0.000 0.297 563 W C 2.041 178.520 176.519 -0.067 0.000 1.213 563 W CA 2.624 59.648 57.345 -0.534 0.000 1.251 563 W CB -0.983 28.296 29.460 -0.301 0.000 1.136 563 W HN 0.681 nan 8.180 nan 0.000 0.526 564 A N -0.571 122.248 122.820 -0.003 0.000 1.902 564 A HA -0.207 4.114 4.320 0.002 0.000 0.217 564 A C 1.974 179.479 177.584 -0.131 0.000 1.181 564 A CA 2.529 54.511 52.037 -0.092 0.000 0.623 564 A CB -1.325 17.686 19.000 0.019 0.000 0.818 564 A HN 0.280 nan 8.150 nan 0.000 0.443 565 T N -1.009 113.478 114.554 -0.111 0.000 2.635 565 T HA -0.256 4.095 4.350 0.002 0.000 0.267 565 T C 1.815 176.552 174.700 0.062 0.000 1.040 565 T CA 1.954 63.971 62.100 -0.138 0.000 1.156 565 T CB -0.555 68.075 68.868 -0.397 0.000 0.863 565 T HN 0.662 nan 8.240 nan 0.000 0.430 566 Y N 2.126 122.509 120.300 0.139 0.000 2.114 566 Y HA -0.054 4.497 4.550 0.002 0.000 0.284 566 Y C 2.049 177.930 175.900 -0.031 0.000 1.143 566 Y CA 0.960 59.154 58.100 0.156 0.000 1.135 566 Y CB -0.864 37.672 38.460 0.128 0.000 0.980 566 Y HN 0.125 nan 8.280 nan 0.000 0.499 567 L N 0.087 120.854 121.223 -0.761 0.000 2.129 567 L HA -0.275 4.066 4.340 0.002 0.000 0.212 567 L C 2.673 179.288 176.870 -0.425 0.000 1.087 567 L CA 1.411 55.757 54.840 -0.823 0.000 0.757 567 L CB -0.920 40.712 42.059 -0.710 0.000 0.896 567 L HN 0.474 nan 8.230 nan 0.000 0.434 568 A N -1.487 121.176 122.820 -0.262 0.000 1.887 568 A HA -0.118 4.204 4.320 0.002 0.000 0.212 568 A C 2.461 179.993 177.584 -0.088 0.000 1.198 568 A CA 1.191 53.143 52.037 -0.141 0.000 0.628 568 A CB -0.481 18.443 19.000 -0.127 0.000 0.847 568 A HN 0.278 nan 8.150 nan 0.000 0.449 569 S N -0.736 114.930 115.700 -0.056 0.000 2.359 569 S HA -0.140 4.331 4.470 0.002 0.000 0.224 569 S C 1.899 176.518 174.600 0.032 0.000 1.035 569 S CA 2.481 60.692 58.200 0.018 0.000 1.018 569 S CB -0.345 62.934 63.200 0.132 0.000 0.876 569 S HN 0.570 nan 8.310 nan 0.000 0.448 570 T N 0.809 115.364 114.554 0.002 0.000 3.042 570 T HA 0.210 4.561 4.350 0.002 0.000 0.245 570 T C 1.324 175.997 174.700 -0.045 0.000 1.029 570 T CA 0.337 62.455 62.100 0.031 0.000 1.120 570 T CB -0.011 68.969 68.868 0.186 0.000 0.917 570 T HN 0.295 nan 8.240 nan 0.000 0.467 571 E N 1.454 121.537 120.200 -0.196 0.000 2.479 571 E HA 0.155 4.506 4.350 0.002 0.000 0.193 571 E C -0.119 176.459 176.600 -0.037 0.000 1.049 571 E CA -0.072 56.246 56.400 -0.136 0.000 0.870 571 E CB -0.360 29.179 29.700 -0.269 0.000 0.944 571 E HN 0.539 nan 8.360 nan 0.000 0.492 572 N N 0.840 119.536 118.700 -0.007 0.000 2.714 572 N HA -0.194 4.547 4.740 0.002 0.000 0.253 572 N C -0.926 174.679 175.510 0.159 0.000 1.024 572 N CA 0.332 53.451 53.050 0.115 0.000 0.726 572 N CB -1.248 37.329 38.487 0.150 0.000 0.908 572 N HN 0.220 nan 8.380 nan 0.000 0.542 573 I N 0.544 121.147 120.570 0.055 0.000 2.474 573 I HA 0.402 4.573 4.170 0.002 0.000 0.294 573 I C 0.431 176.562 176.117 0.023 0.000 1.005 573 I CA -0.975 60.368 61.300 0.072 0.000 1.113 573 I CB 1.628 39.669 38.000 0.069 0.000 1.289 573 I HN 0.021 nan 8.210 nan 0.000 0.436 574 I N 6.065 126.657 120.570 0.037 0.000 2.416 574 I HA 0.160 4.331 4.170 0.002 0.000 0.288 574 I C -0.332 175.792 176.117 0.011 0.000 1.051 574 I CA -0.472 60.804 61.300 -0.040 0.000 1.375 574 I CB 1.019 38.991 38.000 -0.047 0.000 1.407 574 I HN 0.215 nan 8.210 nan 0.000 0.516 575 V N 6.959 126.868 119.914 -0.008 0.000 2.294 575 V HA 0.522 4.643 4.120 0.002 0.000 0.272 575 V C 0.551 176.695 176.094 0.083 0.000 1.027 575 V CA -0.443 61.900 62.300 0.073 0.000 0.823 575 V CB 0.817 32.677 31.823 0.061 0.000 1.030 575 V HN 0.857 nan 8.190 nan 0.000 0.457 576 A N 3.884 126.781 122.820 0.129 0.000 2.248 576 A HA 0.946 5.267 4.320 0.002 0.000 0.316 576 A C 0.065 177.832 177.584 0.305 0.000 1.101 576 A CA -0.511 51.617 52.037 0.151 0.000 0.875 576 A CB 1.441 20.429 19.000 -0.019 0.000 1.207 576 A HN 0.673 nan 8.150 nan 0.000 0.504 577 S N -0.902 115.040 115.700 0.403 0.000 2.562 577 S HA 0.560 5.031 4.470 0.002 0.000 0.274 577 S C -1.719 173.244 174.600 0.605 0.000 1.160 577 S CA -0.325 58.134 58.200 0.431 0.000 0.933 577 S CB 1.033 64.416 63.200 0.305 0.000 1.100 577 S HN 0.766 nan 8.310 nan 0.000 0.468 578 F N 2.557 122.741 119.950 0.391 0.000 2.529 578 F HA 0.523 5.051 4.527 0.002 0.000 0.320 578 F C -1.195 174.795 175.800 0.317 0.000 1.118 578 F CA -0.766 57.473 58.000 0.397 0.000 0.915 578 F CB 1.364 40.536 39.000 0.287 0.000 1.161 578 F HN 0.397 nan 8.300 nan 0.000 0.445 579 D N 4.875 125.066 120.400 -0.349 0.000 2.473 579 D HA 0.334 4.975 4.640 0.002 0.000 0.226 579 D C 0.324 176.344 176.300 -0.466 0.000 1.089 579 D CA 0.108 53.984 54.000 -0.207 0.000 0.883 579 D CB 1.526 42.364 40.800 0.063 0.000 1.029 579 D HN 0.782 nan 8.370 nan 0.000 0.517 580 G N 1.440 110.015 108.800 -0.376 0.000 2.849 580 G HA2 0.268 4.229 3.960 0.002 0.000 0.174 580 G HA3 0.268 4.229 3.960 0.002 0.000 0.174 580 G C 0.175 175.070 174.900 -0.008 0.000 1.370 580 G CA -0.539 44.345 45.100 -0.360 0.000 1.040 580 G HN 0.232 nan 8.290 nan 0.000 0.582 581 R N -0.695 119.773 120.500 -0.053 0.000 2.640 581 R HA 0.398 4.739 4.340 0.002 0.000 0.270 581 R C 1.287 177.672 176.300 0.143 0.000 1.024 581 R CA 1.877 58.052 56.100 0.126 0.000 1.085 581 R CB 0.481 30.837 30.300 0.094 0.000 0.963 581 R HN 1.218 nan 8.270 nan 0.000 0.426 582 G N 0.949 109.833 108.800 0.140 0.000 2.308 582 G HA2 -0.298 3.663 3.960 0.002 0.000 0.221 582 G HA3 -0.298 3.663 3.960 0.002 0.000 0.221 582 G C 0.281 175.214 174.900 0.056 0.000 1.032 582 G CA 0.096 45.260 45.100 0.105 0.000 0.623 582 G HN 0.658 nan 8.290 nan 0.000 0.506 583 S N 0.825 116.571 115.700 0.076 0.000 2.553 583 S HA 0.439 4.910 4.470 0.002 0.000 0.271 583 S C 0.960 175.547 174.600 -0.021 0.000 1.362 583 S CA 0.708 58.947 58.200 0.065 0.000 1.010 583 S CB 0.753 64.024 63.200 0.119 0.000 0.865 583 S HN 1.528 nan 8.310 nan 0.000 0.543 584 G N -0.957 107.802 108.800 -0.068 0.000 2.735 584 G HA2 0.542 4.503 3.960 0.002 0.000 0.301 584 G HA3 0.542 4.503 3.960 0.002 0.000 0.301 584 G C -1.165 173.583 174.900 -0.254 0.000 1.279 584 G CA -0.777 44.113 45.100 -0.350 0.000 1.019 584 G HN 0.772 nan 8.290 nan 0.000 0.497 585 Y N -2.271 117.999 120.300 -0.049 0.000 4.668 585 Y HA -0.219 4.332 4.550 0.002 0.000 0.234 585 Y C 1.421 177.284 175.900 -0.062 0.000 1.056 585 Y CA 1.064 59.136 58.100 -0.047 0.000 2.025 585 Y CB -2.100 36.357 38.460 -0.006 0.000 1.613 585 Y HN 0.542 nan 8.280 nan 0.000 0.653 586 Q N -0.020 119.745 119.800 -0.058 0.000 2.118 586 Q HA 0.500 4.841 4.340 0.002 0.000 0.219 586 Q C 0.875 176.661 176.000 -0.356 0.000 0.794 586 Q CA 0.241 55.997 55.803 -0.077 0.000 1.035 586 Q CB 1.721 30.438 28.738 -0.035 0.000 1.177 586 Q HN 0.577 nan 8.270 nan 0.000 0.478 587 G N 0.921 109.395 108.800 -0.544 0.000 2.712 587 G HA2 -0.169 3.792 3.960 0.002 0.000 0.686 587 G HA3 -0.169 3.792 3.960 0.002 0.000 0.686 587 G C -0.443 174.051 174.900 -0.676 0.000 1.181 587 G CA -0.591 43.927 45.100 -0.971 0.000 0.762 587 G HN 0.108 nan 8.290 nan 0.000 0.641 588 D N 0.383 120.368 120.400 -0.692 0.000 2.221 588 D HA -0.096 4.546 4.640 0.002 0.000 0.204 588 D C 2.161 178.179 176.300 -0.470 0.000 0.982 588 D CA 1.326 54.877 54.000 -0.748 0.000 0.857 588 D CB 0.077 40.350 40.800 -0.878 0.000 0.934 588 D HN 0.624 nan 8.370 nan 0.000 0.475 589 K N 0.327 120.515 120.400 -0.353 0.000 2.152 589 K HA -0.111 4.210 4.320 0.002 0.000 0.206 589 K C 1.991 178.512 176.600 -0.132 0.000 1.048 589 K CA 0.767 56.940 56.287 -0.191 0.000 0.933 589 K CB 0.010 32.421 32.500 -0.148 0.000 0.721 589 K HN 0.165 nan 8.250 nan 0.000 0.447 590 I N 0.088 120.561 120.570 -0.162 0.000 2.385 590 I HA -0.195 3.976 4.170 0.002 0.000 0.244 590 I C 2.575 178.678 176.117 -0.022 0.000 1.089 590 I CA 0.547 61.823 61.300 -0.041 0.000 1.410 590 I CB -0.088 37.893 38.000 -0.031 0.000 1.117 590 I HN 0.230 nan 8.210 nan 0.000 0.429 591 M N 0.254 119.772 119.600 -0.137 0.000 2.117 591 M HA -0.251 4.230 4.480 0.002 0.000 0.262 591 M C 1.879 178.204 176.300 0.042 0.000 1.065 591 M CA 2.047 57.291 55.300 -0.093 0.000 1.114 591 M CB -0.346 32.099 32.600 -0.259 0.000 1.361 591 M HN 0.250 nan 8.290 nan 0.000 0.408 592 H N -0.621 118.341 119.070 -0.180 0.000 2.547 592 H HA 0.176 4.734 4.556 0.002 0.000 0.266 592 H C 1.880 177.214 175.328 0.009 0.000 0.988 592 H CA 0.080 56.014 56.048 -0.191 0.000 1.147 592 H CB 0.133 29.686 29.762 -0.348 0.000 1.365 592 H HN 0.552 nan 8.280 nan 0.000 0.589 593 A N 1.561 124.477 122.820 0.160 0.000 1.978 593 A HA -0.155 4.166 4.320 0.002 0.000 0.220 593 A C 2.025 179.817 177.584 0.347 0.000 1.170 593 A CA 1.234 53.389 52.037 0.196 0.000 0.636 593 A CB -0.672 18.403 19.000 0.124 0.000 0.810 593 A HN 0.577 nan 8.150 nan 0.000 0.448 594 I N -2.832 117.924 120.570 0.309 0.000 3.855 594 I HA 0.159 4.330 4.170 0.002 0.000 0.327 594 I C 0.365 176.596 176.117 0.190 0.000 1.359 594 I CA -0.465 60.986 61.300 0.253 0.000 1.142 594 I CB -0.668 37.455 38.000 0.205 0.000 1.041 594 I HN 0.219 nan 8.210 nan 0.000 0.403 595 N N 2.932 121.769 118.700 0.228 0.000 2.412 595 N HA -0.041 4.700 4.740 0.002 0.000 0.258 595 N C 0.188 175.742 175.510 0.073 0.000 1.236 595 N CA 0.103 53.282 53.050 0.214 0.000 0.882 595 N CB 0.373 38.934 38.487 0.123 0.000 1.066 595 N HN 0.403 nan 8.380 nan 0.000 0.465 596 R N 0.454 120.983 120.500 0.048 0.000 3.932 596 R HA -0.212 4.129 4.340 0.002 0.000 0.318 596 R C -0.124 176.106 176.300 -0.117 0.000 1.219 596 R CA 0.750 56.835 56.100 -0.026 0.000 0.889 596 R CB -1.013 29.279 30.300 -0.013 0.000 1.309 596 R HN 0.540 nan 8.270 nan 0.000 0.537 597 R N 0.695 121.120 120.500 -0.124 0.000 2.635 597 R HA 0.332 4.673 4.340 0.002 0.000 0.393 597 R C -0.428 175.860 176.300 -0.020 0.000 1.070 597 R CA -0.210 55.700 56.100 -0.316 0.000 1.118 597 R CB 0.476 30.559 30.300 -0.362 0.000 1.341 597 R HN 0.115 nan 8.270 nan 0.000 0.628 598 L N -0.456 120.820 121.223 0.088 0.000 2.482 598 L HA 0.201 4.542 4.340 0.002 0.000 0.273 598 L C 1.290 178.381 176.870 0.369 0.000 1.228 598 L CA 1.183 56.104 54.840 0.135 0.000 0.827 598 L CB 0.487 42.436 42.059 -0.184 0.000 1.099 598 L HN 0.688 nan 8.230 nan 0.000 0.494 599 G N 0.375 109.430 108.800 0.425 0.000 2.148 599 G HA2 -0.307 3.654 3.960 0.002 0.000 0.254 599 G HA3 -0.307 3.654 3.960 0.002 0.000 0.254 599 G C 0.478 175.473 174.900 0.159 0.000 0.981 599 G CA 0.674 45.987 45.100 0.356 0.000 0.670 599 G HN 0.842 nan 8.290 nan 0.000 0.528 600 T N -3.322 111.285 114.554 0.088 0.000 3.066 600 T HA 0.488 4.839 4.350 0.002 0.000 0.176 600 T C 1.667 176.355 174.700 -0.020 0.000 0.826 600 T CA 0.927 62.976 62.100 -0.085 0.000 1.280 600 T CB -0.105 68.517 68.868 -0.409 0.000 2.214 600 T HN 0.147 nan 8.240 nan 0.000 0.399 601 F N 3.473 123.464 119.950 0.068 0.000 2.126 601 F HA 0.035 4.563 4.527 0.002 0.000 0.299 601 F C 2.827 178.658 175.800 0.052 0.000 1.096 601 F CA 1.319 59.347 58.000 0.047 0.000 1.255 601 F CB -0.794 38.231 39.000 0.042 0.000 0.997 601 F HN 0.523 nan 8.300 nan 0.000 0.479 602 E N 1.171 121.533 120.200 0.271 0.000 2.204 602 E HA -0.162 4.189 4.350 0.002 0.000 0.195 602 E C 2.244 178.945 176.600 0.169 0.000 0.990 602 E CA 1.690 58.213 56.400 0.206 0.000 0.821 602 E CB -1.173 28.655 29.700 0.215 0.000 0.750 602 E HN 0.384 nan 8.360 nan 0.000 0.477 603 V N 0.072 120.063 119.914 0.128 0.000 2.500 603 V HA -0.064 4.057 4.120 0.002 0.000 0.243 603 V C 2.082 178.210 176.094 0.056 0.000 1.039 603 V CA 1.564 63.896 62.300 0.053 0.000 1.053 603 V CB -0.245 31.553 31.823 -0.042 0.000 0.695 603 V HN 0.087 nan 8.190 nan 0.000 0.463 604 E N 0.265 120.515 120.200 0.083 0.000 2.097 604 E HA -0.250 4.101 4.350 0.002 0.000 0.196 604 E C 1.861 178.497 176.600 0.060 0.000 1.000 604 E CA 1.895 58.344 56.400 0.081 0.000 0.804 604 E CB -0.141 29.645 29.700 0.144 0.000 0.740 604 E HN 0.681 nan 8.360 nan 0.000 0.454 605 D N -0.158 120.291 120.400 0.081 0.000 2.269 605 D HA -0.109 4.532 4.640 0.002 0.000 0.208 605 D C 1.838 178.162 176.300 0.041 0.000 0.963 605 D CA 0.619 54.645 54.000 0.043 0.000 0.864 605 D CB -0.018 40.833 40.800 0.086 0.000 0.936 605 D HN 0.058 nan 8.370 nan 0.000 0.505 606 Q N 0.441 120.309 119.800 0.113 0.000 2.119 606 Q HA 0.014 4.355 4.340 0.002 0.000 0.201 606 Q C 2.135 178.189 176.000 0.091 0.000 0.972 606 Q CA 0.764 56.650 55.803 0.138 0.000 0.847 606 Q CB -0.096 28.725 28.738 0.139 0.000 0.903 606 Q HN 0.312 nan 8.270 nan 0.000 0.433 607 I N 0.069 120.701 120.570 0.103 0.000 2.252 607 I HA -0.201 3.970 4.170 0.002 0.000 0.245 607 I C 2.184 178.268 176.117 -0.056 0.000 1.102 607 I CA 0.913 62.320 61.300 0.178 0.000 1.385 607 I CB -0.277 37.808 38.000 0.141 0.000 1.064 607 I HN 0.189 nan 8.210 nan 0.000 0.414 608 E N 1.379 121.496 120.200 -0.140 0.000 2.085 608 E HA -0.211 4.140 4.350 0.002 0.000 0.194 608 E C 2.239 178.543 176.600 -0.494 0.000 0.994 608 E CA 1.682 57.928 56.400 -0.256 0.000 0.801 608 E CB -0.214 29.350 29.700 -0.227 0.000 0.743 608 E HN 0.453 nan 8.360 nan 0.000 0.453 609 A N 0.923 123.296 122.820 -0.746 0.000 1.877 609 A HA -0.105 4.216 4.320 0.002 0.000 0.216 609 A C 2.439 179.233 177.584 -1.317 0.000 1.186 609 A CA 2.423 53.667 52.037 -1.322 0.000 0.620 609 A CB -0.814 17.213 19.000 -1.622 0.000 0.822 609 A HN 0.313 nan 8.150 nan 0.000 0.443 610 A N -0.450 121.962 122.820 -0.681 0.000 1.877 610 A HA -0.183 4.138 4.320 0.002 0.000 0.216 610 A C 2.245 179.604 177.584 -0.375 0.000 1.186 610 A CA 1.749 53.550 52.037 -0.393 0.000 0.620 610 A CB -0.540 18.289 19.000 -0.285 0.000 0.822 610 A HN 0.530 nan 8.150 nan 0.000 0.443 611 R N -0.628 119.657 120.500 -0.359 0.000 2.159 611 R HA -0.170 4.171 4.340 0.002 0.000 0.237 611 R C 2.176 178.319 176.300 -0.262 0.000 1.131 611 R CA 1.747 57.683 56.100 -0.273 0.000 0.982 611 R CB -0.163 30.008 30.300 -0.216 0.000 0.868 611 R HN 0.709 nan 8.270 nan 0.000 0.453 612 Q N -1.179 118.404 119.800 -0.361 0.000 2.226 612 Q HA -0.038 4.304 4.340 0.002 0.000 0.199 612 Q C 1.829 177.719 176.000 -0.184 0.000 0.945 612 Q CA 0.600 56.230 55.803 -0.289 0.000 0.861 612 Q CB 0.061 28.580 28.738 -0.363 0.000 0.953 612 Q HN 0.255 nan 8.270 nan 0.000 0.490 613 F N 1.755 121.516 119.950 -0.315 0.000 2.120 613 F HA -0.247 4.281 4.527 0.002 0.000 0.300 613 F C 2.772 178.354 175.800 -0.363 0.000 1.095 613 F CA 1.588 59.380 58.000 -0.347 0.000 1.249 613 F CB -1.339 37.491 39.000 -0.282 0.000 0.995 613 F HN 0.089 nan 8.300 nan 0.000 0.480 614 S N -0.472 115.171 115.700 -0.096 0.000 2.382 614 S HA -0.165 4.306 4.470 0.002 0.000 0.228 614 S C 1.684 176.174 174.600 -0.183 0.000 1.027 614 S CA 0.867 58.971 58.200 -0.160 0.000 0.991 614 S CB -0.452 62.655 63.200 -0.155 0.000 0.823 614 S HN 0.203 nan 8.310 nan 0.000 0.469 615 K N 0.760 121.063 120.400 -0.162 0.000 2.569 615 K HA 0.275 4.596 4.320 0.002 0.000 0.193 615 K C 0.820 177.330 176.600 -0.149 0.000 1.026 615 K CA 0.227 56.432 56.287 -0.138 0.000 1.093 615 K CB -0.383 32.048 32.500 -0.114 0.000 0.849 615 K HN 0.549 nan 8.250 nan 0.000 0.509 616 M N -0.898 118.551 119.600 -0.251 0.000 2.453 616 M HA 0.077 4.558 4.480 0.002 0.000 0.239 616 M C 0.942 177.068 176.300 -0.289 0.000 1.151 616 M CA 0.186 55.314 55.300 -0.287 0.000 0.989 616 M CB 0.520 32.850 32.600 -0.449 0.000 1.548 616 M HN 0.327 nan 8.290 nan 0.000 0.479 617 G N 1.440 110.110 108.800 -0.217 0.000 2.257 617 G HA2 -0.332 3.629 3.960 0.002 0.000 0.267 617 G HA3 -0.332 3.629 3.960 0.002 0.000 0.267 617 G C 0.422 175.336 174.900 0.024 0.000 0.984 617 G CA 0.860 45.919 45.100 -0.069 0.000 0.626 617 G HN 0.657 nan 8.290 nan 0.000 0.540 618 F N -0.445 119.555 119.950 0.084 0.000 2.698 618 F HA 0.772 5.300 4.527 0.002 0.000 0.304 618 F C 0.021 175.938 175.800 0.194 0.000 1.108 618 F CA -1.259 56.835 58.000 0.158 0.000 1.263 618 F CB 0.230 39.368 39.000 0.230 0.000 1.013 618 F HN 0.075 nan 8.300 nan 0.000 0.532 619 V N 1.544 121.396 119.914 -0.103 0.000 2.448 619 V HA 0.240 4.361 4.120 0.002 0.000 0.295 619 V C -0.859 175.196 176.094 -0.064 0.000 1.025 619 V CA -0.676 61.580 62.300 -0.073 0.000 0.859 619 V CB 1.714 33.408 31.823 -0.214 0.000 0.988 619 V HN 0.154 nan 8.190 nan 0.000 0.431 620 D N 4.123 124.490 120.400 -0.055 0.000 2.453 620 D HA 0.049 4.690 4.640 0.002 0.000 0.223 620 D C 1.257 177.493 176.300 -0.107 0.000 1.183 620 D CA -0.366 53.581 54.000 -0.087 0.000 0.933 620 D CB 0.461 41.193 40.800 -0.114 0.000 1.038 620 D HN 0.590 nan 8.370 nan 0.000 0.513 621 N N 3.225 121.864 118.700 -0.101 0.000 2.635 621 N HA -0.173 4.568 4.740 0.002 0.000 0.191 621 N C 0.609 176.065 175.510 -0.090 0.000 1.155 621 N CA 0.579 53.563 53.050 -0.109 0.000 0.927 621 N CB -0.043 38.377 38.487 -0.112 0.000 0.976 621 N HN 0.434 nan 8.380 nan 0.000 0.448 622 K N -0.274 120.080 120.400 -0.076 0.000 2.352 622 K HA 0.192 4.513 4.320 0.002 0.000 0.194 622 K C 0.252 176.836 176.600 -0.026 0.000 1.038 622 K CA 0.164 56.423 56.287 -0.046 0.000 1.023 622 K CB 0.554 33.030 32.500 -0.041 0.000 0.840 622 K HN 0.095 nan 8.250 nan 0.000 0.519 623 R N 1.335 121.786 120.500 -0.082 0.000 2.651 623 R HA 0.360 4.701 4.340 0.002 0.000 0.282 623 R C -1.072 175.150 176.300 -0.130 0.000 1.565 623 R CA -0.119 55.921 56.100 -0.100 0.000 1.661 623 R CB 0.659 30.736 30.300 -0.372 0.000 1.189 623 R HN -0.010 nan 8.270 nan 0.000 0.621 624 I N 1.492 122.119 120.570 0.096 0.000 2.382 624 I HA 0.501 4.672 4.170 0.002 0.000 0.286 624 I C -0.033 176.323 176.117 0.398 0.000 1.002 624 I CA -0.659 60.725 61.300 0.141 0.000 1.135 624 I CB 1.854 39.787 38.000 -0.112 0.000 1.288 624 I HN 0.364 nan 8.210 nan 0.000 0.448 625 A N 7.285 130.470 122.820 0.608 0.000 2.346 625 A HA 0.920 5.241 4.320 0.002 0.000 0.313 625 A C -1.050 176.914 177.584 0.634 0.000 1.140 625 A CA -0.661 51.730 52.037 0.590 0.000 0.826 625 A CB 2.086 21.315 19.000 0.382 0.000 1.332 625 A HN 0.728 nan 8.150 nan 0.000 0.457 626 I N 0.523 121.396 120.570 0.506 0.000 2.692 626 I HA 0.685 4.857 4.170 0.002 0.000 0.293 626 I C -1.970 174.411 176.117 0.441 0.000 1.200 626 I CA -0.600 60.934 61.300 0.389 0.000 1.036 626 I CB 1.625 39.606 38.000 -0.031 0.000 1.258 626 I HN 0.935 nan 8.210 nan 0.000 0.421 627 W N 7.114 128.554 121.300 0.234 0.000 3.213 627 W HA 0.841 5.502 4.660 0.002 0.000 0.318 627 W C -1.518 175.157 176.519 0.259 0.000 1.248 627 W CA -1.027 56.461 57.345 0.239 0.000 1.187 627 W CB 1.126 30.776 29.460 0.317 0.000 1.403 627 W HN 0.819 nan 8.180 nan 0.000 0.556 628 G N 1.071 109.863 108.800 -0.013 0.000 2.646 628 G HA2 0.492 4.453 3.960 0.002 0.000 0.291 628 G HA3 0.492 4.453 3.960 0.002 0.000 0.291 628 G C -2.714 172.198 174.900 0.019 0.000 1.445 628 G CA -0.696 44.240 45.100 -0.274 0.000 0.814 628 G HN 0.601 nan 8.290 nan 0.000 0.495 629 W N 0.883 122.103 121.300 -0.133 0.000 2.706 629 W HA 0.590 5.251 4.660 0.002 0.000 0.346 629 W C 0.884 177.461 176.519 0.097 0.000 1.071 629 W CA 0.426 57.776 57.345 0.008 0.000 1.206 629 W CB 1.711 31.178 29.460 0.012 0.000 1.413 629 W HN 1.063 nan 8.180 nan 0.000 0.542 630 S N 1.443 117.456 115.700 0.521 0.000 4.054 630 S HA -0.436 4.035 4.470 0.002 0.000 0.618 630 S C 0.832 175.563 174.600 0.219 0.000 2.026 630 S CA 1.649 60.124 58.200 0.459 0.000 4.205 630 S CB -1.597 61.975 63.200 0.620 0.000 0.233 630 S HN 0.748 nan 8.310 nan 0.000 0.612 631 Y N 3.029 123.344 120.300 0.025 0.000 2.193 631 Y HA -0.067 4.484 4.550 0.002 0.000 0.285 631 Y C 2.468 178.276 175.900 -0.153 0.000 1.166 631 Y CA 2.261 60.264 58.100 -0.161 0.000 1.181 631 Y CB -1.030 37.144 38.460 -0.477 0.000 0.976 631 Y HN 0.567 nan 8.280 nan 0.000 0.520 632 G N -1.126 107.674 108.800 -0.001 0.000 2.448 632 G HA2 -0.204 3.757 3.960 0.002 0.000 0.219 632 G HA3 -0.204 3.757 3.960 0.002 0.000 0.219 632 G C 1.865 176.795 174.900 0.051 0.000 1.127 632 G CA 0.724 45.860 45.100 0.060 0.000 0.766 632 G HN 0.587 nan 8.290 nan 0.000 0.552 633 G N -0.214 108.630 108.800 0.073 0.000 2.403 633 G HA2 -0.180 3.781 3.960 0.002 0.000 0.216 633 G HA3 -0.180 3.781 3.960 0.002 0.000 0.216 633 G C 1.573 176.485 174.900 0.021 0.000 1.154 633 G CA 0.956 46.087 45.100 0.051 0.000 0.784 633 G HN 0.409 nan 8.290 nan 0.000 0.538 634 Y N 1.505 121.694 120.300 -0.184 0.000 2.181 634 Y HA -0.112 4.439 4.550 0.002 0.000 0.288 634 Y C 2.665 178.443 175.900 -0.203 0.000 1.146 634 Y CA 1.520 59.452 58.100 -0.281 0.000 1.164 634 Y CB -0.373 37.760 38.460 -0.546 0.000 0.982 634 Y HN 0.030 nan 8.280 nan 0.000 0.515 635 V N -0.397 119.344 119.914 -0.289 0.000 2.427 635 V HA -0.275 3.846 4.120 0.002 0.000 0.248 635 V C 2.283 178.239 176.094 -0.230 0.000 1.051 635 V CA 2.296 64.422 62.300 -0.290 0.000 1.048 635 V CB -1.149 30.654 31.823 -0.033 0.000 0.666 635 V HN 0.464 nan 8.190 nan 0.000 0.456 636 T N -0.096 114.384 114.554 -0.123 0.000 2.684 636 T HA -0.197 4.154 4.350 0.002 0.000 0.267 636 T C 2.163 176.782 174.700 -0.136 0.000 1.036 636 T CA 2.004 64.047 62.100 -0.095 0.000 1.148 636 T CB -0.265 68.635 68.868 0.053 0.000 0.863 636 T HN 0.492 nan 8.240 nan 0.000 0.436 637 S N 0.974 116.620 115.700 -0.090 0.000 2.368 637 S HA -0.014 4.457 4.470 0.002 0.000 0.224 637 S C 2.149 176.625 174.600 -0.207 0.000 1.029 637 S CA 0.913 59.067 58.200 -0.077 0.000 0.988 637 S CB -0.278 62.934 63.200 0.020 0.000 0.838 637 S HN 0.296 nan 8.310 nan 0.000 0.462 638 M N 0.888 120.283 119.600 -0.341 0.000 2.117 638 M HA -0.028 4.453 4.480 0.002 0.000 0.262 638 M C 2.212 178.337 176.300 -0.291 0.000 1.065 638 M CA 1.101 56.191 55.300 -0.350 0.000 1.114 638 M CB -1.407 30.881 32.600 -0.521 0.000 1.361 638 M HN 0.171 nan 8.290 nan 0.000 0.408 639 V N 0.473 120.202 119.914 -0.307 0.000 2.358 639 V HA -0.221 3.900 4.120 0.002 0.000 0.246 639 V C 2.436 178.307 176.094 -0.372 0.000 1.047 639 V CA 1.265 63.374 62.300 -0.318 0.000 1.035 639 V CB -0.492 31.075 31.823 -0.427 0.000 0.658 639 V HN 0.409 nan 8.190 nan 0.000 0.452 640 L N 0.129 121.081 121.223 -0.453 0.000 2.291 640 L HA 0.016 4.357 4.340 0.002 0.000 0.214 640 L C 2.152 178.521 176.870 -0.836 0.000 1.120 640 L CA 1.282 55.777 54.840 -0.575 0.000 0.799 640 L CB -0.610 41.072 42.059 -0.628 0.000 0.925 640 L HN 0.471 nan 8.230 nan 0.000 0.446 641 G N -1.276 107.090 108.800 -0.724 0.000 3.189 641 G HA2 -0.039 3.922 3.960 0.002 0.000 0.225 641 G HA3 -0.039 3.922 3.960 0.002 0.000 0.225 641 G C 1.444 176.186 174.900 -0.263 0.000 1.159 641 G CA 0.553 45.304 45.100 -0.581 0.000 0.763 641 G HN 0.405 nan 8.290 nan 0.000 0.549 642 S N -0.608 114.956 115.700 -0.227 0.000 2.496 642 S HA 0.287 4.758 4.470 0.002 0.000 0.224 642 S C 1.939 176.488 174.600 -0.085 0.000 0.996 642 S CA 0.955 59.082 58.200 -0.121 0.000 0.927 642 S CB -0.119 63.026 63.200 -0.091 0.000 0.774 642 S HN 1.343 nan 8.310 nan 0.000 0.524 643 G N 1.540 110.274 108.800 -0.109 0.000 2.160 643 G HA2 -0.340 3.621 3.960 0.002 0.000 0.251 643 G HA3 -0.340 3.621 3.960 0.002 0.000 0.251 643 G C 0.927 175.811 174.900 -0.027 0.000 1.008 643 G CA 0.871 45.932 45.100 -0.065 0.000 0.724 643 G HN 1.227 nan 8.290 nan 0.000 0.514 644 S N -0.967 114.729 115.700 -0.006 0.000 2.423 644 S HA 0.275 4.746 4.470 0.002 0.000 0.231 644 S C 2.644 177.255 174.600 0.018 0.000 1.014 644 S CA 1.643 59.857 58.200 0.023 0.000 0.965 644 S CB -0.266 62.984 63.200 0.084 0.000 0.785 644 S HN 2.408 nan 8.310 nan 0.000 0.495 645 G N 0.205 109.023 108.800 0.030 0.000 2.212 645 G HA2 -0.330 3.631 3.960 0.002 0.000 0.266 645 G HA3 -0.330 3.631 3.960 0.002 0.000 0.266 645 G C 0.866 175.768 174.900 0.002 0.000 0.978 645 G CA 0.462 45.572 45.100 0.017 0.000 0.632 645 G HN 0.711 nan 8.290 nan 0.000 0.537 646 V N -0.211 119.695 119.914 -0.014 0.000 2.427 646 V HA 0.147 4.269 4.120 0.002 0.000 0.248 646 V C 1.330 177.230 176.094 -0.322 0.000 1.051 646 V CA 1.781 63.949 62.300 -0.220 0.000 1.048 646 V CB -0.478 31.109 31.823 -0.394 0.000 0.666 646 V HN 0.326 nan 8.190 nan 0.000 0.456 647 F N -0.138 119.820 119.950 0.013 0.000 2.421 647 F HA 0.415 4.943 4.527 0.002 0.000 0.337 647 F C 1.055 176.893 175.800 0.063 0.000 1.105 647 F CA -0.760 57.275 58.000 0.058 0.000 1.049 647 F CB 1.316 40.354 39.000 0.064 0.000 1.139 647 F HN -0.241 nan 8.300 nan 0.000 0.479 648 K N 1.648 122.205 120.400 0.262 0.000 2.067 648 K HA 0.093 4.414 4.320 0.002 0.000 0.203 648 K C 0.085 176.812 176.600 0.211 0.000 1.048 648 K CA 0.998 57.403 56.287 0.196 0.000 0.954 648 K CB 0.215 32.829 32.500 0.190 0.000 0.737 648 K HN 0.808 nan 8.250 nan 0.000 0.444 649 c N -2.126 116.633 118.600 0.265 0.000 3.285 649 c HA 0.950 5.521 4.570 0.002 0.000 0.320 649 c C 0.016 174.332 174.090 0.376 0.000 1.411 649 c CA -0.519 55.986 56.329 0.293 0.000 1.429 649 c CB 1.046 43.645 42.510 0.149 0.000 1.812 649 c HN 0.438 nan 8.230 nan 0.000 0.454 650 G N -0.313 108.789 108.800 0.502 0.000 2.601 650 G HA2 0.676 4.637 3.960 0.002 0.000 0.291 650 G HA3 0.676 4.637 3.960 0.002 0.000 0.291 650 G C -2.085 173.059 174.900 0.405 0.000 1.456 650 G CA -0.666 44.701 45.100 0.446 0.000 0.804 650 G HN 0.966 nan 8.290 nan 0.000 0.499 651 I N 0.648 121.418 120.570 0.333 0.000 2.478 651 I HA 0.608 4.780 4.170 0.002 0.000 0.287 651 I C 0.136 176.381 176.117 0.213 0.000 1.042 651 I CA -0.943 60.432 61.300 0.125 0.000 1.067 651 I CB 2.241 40.285 38.000 0.073 0.000 1.233 651 I HN 0.695 nan 8.210 nan 0.000 0.431 652 A N 6.491 129.336 122.820 0.042 0.000 2.303 652 A HA 0.808 5.129 4.320 0.002 0.000 0.320 652 A C -0.719 176.790 177.584 -0.125 0.000 1.192 652 A CA -0.516 51.554 52.037 0.054 0.000 0.821 652 A CB 1.115 20.198 19.000 0.139 0.000 1.188 652 A HN 0.441 nan 8.150 nan 0.000 0.492 653 V N 2.047 121.846 119.914 -0.191 0.000 2.384 653 V HA 0.574 4.695 4.120 0.002 0.000 0.287 653 V C 0.913 176.636 176.094 -0.617 0.000 1.020 653 V CA 0.207 62.174 62.300 -0.555 0.000 0.850 653 V CB 0.671 31.854 31.823 -1.068 0.000 0.987 653 V HN 2.092 nan 8.190 nan 0.000 0.436 654 A N 5.540 127.962 122.820 -0.663 0.000 2.511 654 A HA -0.110 4.211 4.320 0.002 0.000 0.297 654 A C -1.561 175.848 177.584 -0.292 0.000 1.476 654 A CA 0.629 52.117 52.037 -0.915 0.000 0.757 654 A CB -1.544 17.105 19.000 -0.585 0.000 1.072 654 A HN 0.639 nan 8.150 nan 0.000 0.413 655 P HA 0.478 nan 4.420 nan 0.000 0.278 655 P C -0.113 177.162 177.300 -0.042 0.000 1.266 655 P CA -0.362 62.718 63.100 -0.032 0.000 0.807 655 P CB 1.243 32.943 31.700 0.001 0.000 1.094 656 V N 1.198 121.007 119.914 -0.175 0.000 2.427 656 V HA 0.133 4.254 4.120 0.002 0.000 0.286 656 V C 1.605 177.518 176.094 -0.301 0.000 1.034 656 V CA 0.323 62.386 62.300 -0.395 0.000 0.893 656 V CB 1.056 32.294 31.823 -0.974 0.000 0.982 656 V HN 0.761 nan 8.190 nan 0.000 0.452 657 S N 4.532 120.088 115.700 -0.241 0.000 2.502 657 S HA 0.195 4.666 4.470 0.002 0.000 0.228 657 S C 0.570 174.973 174.600 -0.328 0.000 1.061 657 S CA -0.329 57.776 58.200 -0.159 0.000 0.935 657 S CB 0.197 63.364 63.200 -0.055 0.000 0.809 657 S HN 0.816 nan 8.310 nan 0.000 0.510 658 R N -1.189 118.985 120.500 -0.543 0.000 2.548 658 R HA 0.482 4.823 4.340 0.002 0.000 0.280 658 R C -0.920 175.012 176.300 -0.614 0.000 1.061 658 R CA -0.922 54.803 56.100 -0.624 0.000 0.915 658 R CB 0.036 29.979 30.300 -0.594 0.000 1.210 658 R HN 0.152 nan 8.270 nan 0.000 0.442 659 W N 1.441 122.659 121.300 -0.137 0.000 2.387 659 W HA -0.085 4.576 4.660 0.002 0.000 0.272 659 W C 0.935 177.600 176.519 0.244 0.000 1.224 659 W CA 0.846 58.224 57.345 0.055 0.000 1.210 659 W CB 0.128 29.579 29.460 -0.015 0.000 1.125 659 W HN 0.691 nan 8.180 nan 0.000 0.572 660 E N -0.981 119.371 120.200 0.253 0.000 2.516 660 E HA -0.151 4.200 4.350 0.002 0.000 0.199 660 E C 1.085 177.861 176.600 0.294 0.000 1.069 660 E CA 0.502 57.017 56.400 0.191 0.000 0.876 660 E CB -0.164 29.544 29.700 0.014 0.000 0.843 660 E HN 0.391 nan 8.360 nan 0.000 0.530 661 Y N -1.377 119.021 120.300 0.163 0.000 2.509 661 Y HA 0.067 4.618 4.550 0.002 0.000 0.270 661 Y C 0.874 176.898 175.900 0.207 0.000 1.103 661 Y CA -0.441 57.731 58.100 0.119 0.000 1.278 661 Y CB -0.364 38.107 38.460 0.017 0.000 1.087 661 Y HN 0.013 nan 8.280 nan 0.000 0.542 662 Y N 2.318 122.795 120.300 0.295 0.000 2.289 662 Y HA 0.231 4.782 4.550 0.002 0.000 0.332 662 Y C 0.493 176.628 175.900 0.392 0.000 1.324 662 Y CA -1.744 56.540 58.100 0.306 0.000 1.478 662 Y CB 0.184 38.855 38.460 0.352 0.000 1.378 662 Y HN 0.219 nan 8.280 nan 0.000 0.558 663 D N -0.656 119.471 120.400 -0.455 0.000 2.378 663 D HA 0.080 4.721 4.640 0.002 0.000 0.238 663 D C 0.979 177.268 176.300 -0.018 0.000 1.180 663 D CA 0.417 54.226 54.000 -0.318 0.000 0.895 663 D CB 0.671 41.109 40.800 -0.603 0.000 1.192 663 D HN 0.468 nan 8.370 nan 0.000 0.438 664 S N 0.935 116.634 115.700 -0.001 0.000 2.343 664 S HA -0.231 4.240 4.470 0.002 0.000 0.219 664 S C 2.020 176.651 174.600 0.051 0.000 1.033 664 S CA 1.182 59.431 58.200 0.081 0.000 1.014 664 S CB -1.130 62.126 63.200 0.092 0.000 0.915 664 S HN 0.431 nan 8.310 nan 0.000 0.435 665 V N 1.005 120.883 119.914 -0.060 0.000 2.317 665 V HA -0.231 3.890 4.120 0.002 0.000 0.251 665 V C 2.306 178.305 176.094 -0.159 0.000 1.065 665 V CA 2.472 64.635 62.300 -0.229 0.000 1.049 665 V CB -1.084 30.444 31.823 -0.492 0.000 0.651 665 V HN 0.622 nan 8.190 nan 0.000 0.450 666 Y N 1.102 121.336 120.300 -0.111 0.000 2.153 666 Y HA -0.182 4.369 4.550 0.002 0.000 0.289 666 Y C 2.759 178.683 175.900 0.039 0.000 1.119 666 Y CA 2.214 60.332 58.100 0.031 0.000 1.116 666 Y CB -0.658 38.001 38.460 0.331 0.000 1.004 666 Y HN 0.198 nan 8.280 nan 0.000 0.501 667 T N 0.422 115.242 114.554 0.442 0.000 2.720 667 T HA -0.215 4.136 4.350 0.002 0.000 0.268 667 T C 1.543 176.248 174.700 0.008 0.000 1.037 667 T CA 2.005 64.277 62.100 0.286 0.000 1.144 667 T CB -0.293 68.888 68.868 0.523 0.000 0.864 667 T HN 0.435 nan 8.240 nan 0.000 0.444 668 E N 0.257 120.470 120.200 0.023 0.000 2.274 668 E HA -0.028 4.323 4.350 0.002 0.000 0.194 668 E C 2.320 178.802 176.600 -0.197 0.000 0.996 668 E CA 0.309 56.705 56.400 -0.006 0.000 0.840 668 E CB -0.048 29.695 29.700 0.072 0.000 0.772 668 E HN 0.322 nan 8.360 nan 0.000 0.491 669 R N -0.155 120.059 120.500 -0.477 0.000 2.120 669 R HA -0.163 4.178 4.340 0.002 0.000 0.234 669 R C 1.113 176.852 176.300 -0.936 0.000 1.123 669 R CA 1.465 57.086 56.100 -0.799 0.000 0.975 669 R CB 0.066 29.563 30.300 -1.339 0.000 0.866 669 R HN 0.211 nan 8.270 nan 0.000 0.446 670 Y N -2.140 117.866 120.300 -0.490 0.000 2.535 670 Y HA 0.233 4.784 4.550 0.002 0.000 0.266 670 Y C 1.684 177.414 175.900 -0.282 0.000 1.088 670 Y CA 0.075 57.896 58.100 -0.466 0.000 1.285 670 Y CB 0.402 38.462 38.460 -0.667 0.000 1.166 670 Y HN -0.054 nan 8.280 nan 0.000 0.525 671 M N -0.298 119.188 119.600 -0.189 0.000 2.337 671 M HA 0.363 4.844 4.480 0.002 0.000 0.256 671 M C 1.000 177.300 176.300 0.001 0.000 1.075 671 M CA 0.771 55.949 55.300 -0.204 0.000 1.024 671 M CB -0.303 31.947 32.600 -0.584 0.000 1.429 671 M HN 0.346 nan 8.290 nan 0.000 0.497 672 G N 1.909 110.735 108.800 0.044 0.000 2.645 672 G HA2 -0.218 3.743 3.960 0.002 0.000 0.239 672 G HA3 -0.218 3.743 3.960 0.002 0.000 0.239 672 G C -0.853 174.192 174.900 0.242 0.000 1.331 672 G CA -0.826 44.342 45.100 0.115 0.000 0.890 672 G HN 0.254 nan 8.290 nan 0.000 0.572 673 L N 2.503 123.839 121.223 0.188 0.000 2.334 673 L HA 0.510 4.851 4.340 0.002 0.000 0.277 673 L C -1.077 175.849 176.870 0.094 0.000 1.075 673 L CA -1.543 53.376 54.840 0.132 0.000 0.804 673 L CB 1.418 43.510 42.059 0.056 0.000 1.174 673 L HN 0.443 nan 8.230 nan 0.000 0.438 674 P HA 0.050 nan 4.420 nan 0.000 0.246 674 P C -0.493 176.695 177.300 -0.186 0.000 1.686 674 P CA -0.138 62.648 63.100 -0.524 0.000 0.867 674 P CB -0.509 30.548 31.700 -1.072 0.000 1.733 675 T N -3.390 111.133 114.554 -0.051 0.000 2.918 675 T HA 0.427 4.778 4.350 0.002 0.000 0.286 675 T C -1.846 172.864 174.700 0.017 0.000 1.026 675 T CA -2.410 59.679 62.100 -0.019 0.000 1.031 675 T CB 1.859 70.724 68.868 -0.005 0.000 1.046 675 T HN -0.198 nan 8.240 nan 0.000 0.479 676 P HA -0.017 nan 4.420 nan 0.000 0.228 676 P C 0.524 177.844 177.300 0.033 0.000 1.151 676 P CA 0.884 64.001 63.100 0.029 0.000 0.770 676 P CB 0.175 31.887 31.700 0.021 0.000 0.786 677 E N -0.867 119.350 120.200 0.027 0.000 2.385 677 E HA -0.036 4.315 4.350 0.002 0.000 0.194 677 E C 1.446 178.068 176.600 0.035 0.000 1.013 677 E CA 0.536 56.951 56.400 0.026 0.000 0.866 677 E CB -0.237 29.473 29.700 0.017 0.000 0.832 677 E HN 0.264 nan 8.360 nan 0.000 0.500 678 D N -0.236 120.193 120.400 0.049 0.000 2.931 678 D HA 0.099 4.740 4.640 0.002 0.000 0.241 678 D C 0.216 176.576 176.300 0.100 0.000 1.494 678 D CA 0.185 54.226 54.000 0.068 0.000 1.260 678 D CB 0.053 40.897 40.800 0.074 0.000 0.953 678 D HN 0.020 nan 8.370 nan 0.000 0.240 679 N N 0.062 118.858 118.700 0.159 0.000 2.387 679 N HA 0.045 4.787 4.740 0.002 0.000 0.259 679 N C 1.111 176.828 175.510 0.346 0.000 1.369 679 N CA -0.094 53.092 53.050 0.227 0.000 0.867 679 N CB 0.842 39.468 38.487 0.232 0.000 1.341 679 N HN -0.005 nan 8.380 nan 0.000 0.495 680 L N 0.999 122.355 121.223 0.222 0.000 2.042 680 L HA -0.127 4.214 4.340 0.002 0.000 0.210 680 L C 1.616 178.607 176.870 0.201 0.000 1.076 680 L CA 1.985 56.933 54.840 0.181 0.000 0.749 680 L CB -0.413 41.679 42.059 0.055 0.000 0.893 680 L HN 0.190 nan 8.230 nan 0.000 0.432 681 D N -1.235 119.260 120.400 0.158 0.000 2.116 681 D HA -0.283 4.358 4.640 0.002 0.000 0.193 681 D C 2.010 178.411 176.300 0.168 0.000 0.998 681 D CA 1.912 55.993 54.000 0.135 0.000 0.836 681 D CB -0.138 40.728 40.800 0.111 0.000 0.951 681 D HN 0.568 nan 8.370 nan 0.000 0.449 682 H N -0.781 118.352 119.070 0.105 0.000 2.462 682 H HA -0.066 4.491 4.556 0.002 0.000 0.292 682 H C 1.713 177.109 175.328 0.113 0.000 1.049 682 H CA 1.075 57.166 56.048 0.071 0.000 1.334 682 H CB -0.290 29.478 29.762 0.010 0.000 1.404 682 H HN 0.148 nan 8.280 nan 0.000 0.544 683 Y N 0.340 120.646 120.300 0.011 0.000 2.165 683 Y HA -0.204 4.347 4.550 0.002 0.000 0.286 683 Y C 2.413 178.284 175.900 -0.048 0.000 1.155 683 Y CA 1.567 59.672 58.100 0.008 0.000 1.164 683 Y CB 0.124 38.620 38.460 0.059 0.000 0.978 683 Y HN 0.132 nan 8.280 nan 0.000 0.513 684 R N -0.264 120.311 120.500 0.126 0.000 2.090 684 R HA -0.074 4.267 4.340 0.002 0.000 0.228 684 R C 1.541 177.835 176.300 -0.011 0.000 1.110 684 R CA 1.113 57.240 56.100 0.044 0.000 0.973 684 R CB -0.942 29.387 30.300 0.049 0.000 0.869 684 R HN 0.355 nan 8.270 nan 0.000 0.440 685 N N 0.516 119.192 118.700 -0.039 0.000 2.512 685 N HA -0.083 4.658 4.740 0.002 0.000 0.183 685 N C 0.429 175.884 175.510 -0.093 0.000 1.073 685 N CA 0.958 53.983 53.050 -0.042 0.000 0.911 685 N CB 0.132 38.639 38.487 0.032 0.000 0.964 685 N HN 0.148 nan 8.380 nan 0.000 0.447 686 S N -1.246 114.354 115.700 -0.168 0.000 2.526 686 S HA 0.183 4.654 4.470 0.002 0.000 0.245 686 S C 0.393 175.018 174.600 0.040 0.000 1.103 686 S CA -0.807 57.355 58.200 -0.063 0.000 1.095 686 S CB -0.527 62.608 63.200 -0.108 0.000 0.826 686 S HN 0.182 nan 8.310 nan 0.000 0.468 687 T N -2.163 112.379 114.554 -0.020 0.000 2.862 687 T HA 0.554 4.905 4.350 0.002 0.000 0.276 687 T C 1.165 175.848 174.700 -0.027 0.000 0.974 687 T CA -0.617 61.454 62.100 -0.049 0.000 0.966 687 T CB 1.139 69.952 68.868 -0.092 0.000 1.072 687 T HN -0.018 nan 8.240 nan 0.000 0.538 688 V N 1.102 120.990 119.914 -0.044 0.000 2.599 688 V HA -0.063 4.058 4.120 0.002 0.000 0.245 688 V C 2.664 178.722 176.094 -0.060 0.000 1.046 688 V CA 0.967 63.240 62.300 -0.046 0.000 1.065 688 V CB -0.636 31.153 31.823 -0.055 0.000 0.703 688 V HN 0.829 nan 8.190 nan 0.000 0.464 689 M N 1.277 120.826 119.600 -0.085 0.000 2.149 689 M HA -0.129 4.352 4.480 0.002 0.000 0.261 689 M C 2.331 178.599 176.300 -0.053 0.000 1.064 689 M CA 2.219 57.463 55.300 -0.093 0.000 1.102 689 M CB -2.165 30.390 32.600 -0.075 0.000 1.369 689 M HN 0.542 nan 8.290 nan 0.000 0.408 690 S N 0.391 116.070 115.700 -0.033 0.000 2.500 690 S HA -0.061 4.410 4.470 0.002 0.000 0.239 690 S C 1.874 176.477 174.600 0.005 0.000 0.989 690 S CA 0.768 58.959 58.200 -0.014 0.000 0.951 690 S CB -0.477 62.715 63.200 -0.015 0.000 0.759 690 S HN 0.609 nan 8.310 nan 0.000 0.523 691 R N 0.181 120.697 120.500 0.026 0.000 2.397 691 R HA 0.450 4.791 4.340 0.002 0.000 0.241 691 R C 2.366 178.771 176.300 0.174 0.000 0.914 691 R CA 0.459 56.604 56.100 0.074 0.000 1.071 691 R CB -0.290 30.052 30.300 0.070 0.000 1.116 691 R HN 0.439 nan 8.270 nan 0.000 0.524 692 A N 1.716 124.585 122.820 0.081 0.000 1.929 692 A HA -0.351 3.970 4.320 0.002 0.000 0.221 692 A C 1.972 179.654 177.584 0.163 0.000 1.211 692 A CA 2.232 54.272 52.037 0.005 0.000 0.657 692 A CB -0.446 18.481 19.000 -0.122 0.000 0.827 692 A HN 0.295 nan 8.150 nan 0.000 0.462 693 E N 0.383 120.644 120.200 0.102 0.000 2.114 693 E HA -0.213 4.138 4.350 0.002 0.000 0.199 693 E C 1.495 178.165 176.600 0.116 0.000 1.008 693 E CA 1.975 58.429 56.400 0.090 0.000 0.810 693 E CB -0.573 29.158 29.700 0.052 0.000 0.739 693 E HN 0.822 nan 8.360 nan 0.000 0.456 694 N N -1.129 117.637 118.700 0.110 0.000 2.571 694 N HA -0.052 4.689 4.740 0.002 0.000 0.189 694 N C 0.372 175.854 175.510 -0.048 0.000 1.154 694 N CA -0.064 52.994 53.050 0.012 0.000 0.907 694 N CB -0.040 38.402 38.487 -0.074 0.000 0.977 694 N HN 0.135 nan 8.380 nan 0.000 0.449 695 F N 1.105 121.014 119.950 -0.069 0.000 2.710 695 F HA 0.134 4.662 4.527 0.002 0.000 0.298 695 F C 1.846 177.649 175.800 0.005 0.000 1.137 695 F CA 0.331 58.287 58.000 -0.074 0.000 1.444 695 F CB 0.121 39.037 39.000 -0.139 0.000 1.111 695 F HN -0.100 nan 8.300 nan 0.000 0.580 696 K N -0.160 120.339 120.400 0.166 0.000 2.160 696 K HA -0.198 4.123 4.320 0.002 0.000 0.206 696 K C 1.649 178.307 176.600 0.096 0.000 1.047 696 K CA 1.039 57.402 56.287 0.127 0.000 0.930 696 K CB -0.133 32.420 32.500 0.090 0.000 0.720 696 K HN 0.210 nan 8.250 nan 0.000 0.450 697 Q N 0.112 119.945 119.800 0.055 0.000 2.451 697 Q HA 0.010 4.351 4.340 0.002 0.000 0.206 697 Q C 0.755 176.784 176.000 0.049 0.000 0.947 697 Q CA 0.410 56.235 55.803 0.036 0.000 0.937 697 Q CB 0.148 28.887 28.738 0.002 0.000 1.025 697 Q HN 0.258 nan 8.270 nan 0.000 0.511 698 V N -3.423 116.532 119.914 0.070 0.000 3.130 698 V HA 0.530 4.651 4.120 0.002 0.000 0.310 698 V C -0.821 175.402 176.094 0.215 0.000 1.158 698 V CA -1.248 61.117 62.300 0.109 0.000 1.029 698 V CB 2.497 34.337 31.823 0.028 0.000 1.057 698 V HN -0.084 nan 8.190 nan 0.000 0.436 699 E N 1.462 121.819 120.200 0.262 0.000 2.146 699 E HA 0.452 4.804 4.350 0.002 0.000 0.282 699 E C -1.909 175.036 176.600 0.576 0.000 0.989 699 E CA -0.358 56.264 56.400 0.370 0.000 0.799 699 E CB 1.722 31.577 29.700 0.259 0.000 1.088 699 E HN 0.684 nan 8.360 nan 0.000 0.397 700 Y N 3.424 123.974 120.300 0.416 0.000 2.446 700 Y HA 0.462 5.013 4.550 0.002 0.000 0.345 700 Y C -1.555 174.448 175.900 0.173 0.000 0.984 700 Y CA -1.191 57.102 58.100 0.323 0.000 1.058 700 Y CB 1.083 39.747 38.460 0.340 0.000 1.220 700 Y HN 0.426 nan 8.280 nan 0.000 0.455 701 L N 7.837 128.811 121.223 -0.416 0.000 2.343 701 L HA 0.496 4.837 4.340 0.002 0.000 0.278 701 L C -1.745 174.691 176.870 -0.723 0.000 0.996 701 L CA -0.768 53.686 54.840 -0.643 0.000 0.831 701 L CB 1.145 42.510 42.059 -1.157 0.000 1.232 701 L HN 0.685 nan 8.230 nan 0.000 0.413 702 L N 6.364 127.253 121.223 -0.557 0.000 2.272 702 L HA 0.553 4.895 4.340 0.002 0.000 0.289 702 L C -0.789 175.961 176.870 -0.200 0.000 1.032 702 L CA -0.430 54.141 54.840 -0.449 0.000 0.810 702 L CB 1.437 43.289 42.059 -0.344 0.000 1.205 702 L HN 0.597 nan 8.230 nan 0.000 0.422 703 I N 4.116 124.575 120.570 -0.186 0.000 2.465 703 I HA 0.451 4.622 4.170 0.002 0.000 0.291 703 I C -0.876 175.227 176.117 -0.023 0.000 1.014 703 I CA -0.697 60.547 61.300 -0.093 0.000 1.093 703 I CB 1.821 39.724 38.000 -0.162 0.000 1.267 703 I HN 0.521 nan 8.210 nan 0.000 0.431 704 H N 3.328 122.461 119.070 0.105 0.000 3.038 704 H HA 0.415 4.972 4.556 0.002 0.000 0.362 704 H C -0.696 174.878 175.328 0.411 0.000 1.167 704 H CA -0.564 55.605 56.048 0.201 0.000 1.197 704 H CB 2.466 32.294 29.762 0.111 0.000 1.840 704 H HN 0.733 nan 8.280 nan 0.000 0.540 705 G N 0.980 110.182 108.800 0.669 0.000 2.390 705 G HA2 0.241 4.202 3.960 0.002 0.000 0.270 705 G HA3 0.241 4.202 3.960 0.002 0.000 0.270 705 G C 1.102 176.269 174.900 0.445 0.000 1.211 705 G CA 0.194 45.604 45.100 0.517 0.000 0.842 705 G HN 0.659 nan 8.290 nan 0.000 0.519 706 T N -0.664 114.001 114.554 0.185 0.000 2.995 706 T HA 0.061 4.412 4.350 0.002 0.000 0.269 706 T C 1.843 176.538 174.700 -0.008 0.000 1.091 706 T CA 1.330 63.360 62.100 -0.117 0.000 1.128 706 T CB 0.128 68.863 68.868 -0.221 0.000 0.891 706 T HN 0.650 nan 8.240 nan 0.000 0.492 707 A N 1.036 123.934 122.820 0.130 0.000 2.462 707 A HA 0.270 4.591 4.320 0.002 0.000 0.261 707 A C 0.611 178.199 177.584 0.006 0.000 1.323 707 A CA -0.426 51.696 52.037 0.142 0.000 0.913 707 A CB -0.365 18.925 19.000 0.483 0.000 1.028 707 A HN 0.426 nan 8.150 nan 0.000 0.511 708 D N 1.546 121.967 120.400 0.035 0.000 2.363 708 D HA -0.033 4.608 4.640 0.002 0.000 0.263 708 D C 0.304 176.564 176.300 -0.066 0.000 1.258 708 D CA 0.303 54.394 54.000 0.152 0.000 0.907 708 D CB 0.661 41.698 40.800 0.394 0.000 1.107 708 D HN 0.551 nan 8.370 nan 0.000 0.495 709 D N 2.613 123.025 120.400 0.021 0.000 2.333 709 D HA -0.137 4.504 4.640 0.002 0.000 0.208 709 D C 1.045 177.250 176.300 -0.158 0.000 0.984 709 D CA -0.087 53.858 54.000 -0.091 0.000 0.873 709 D CB 0.263 40.941 40.800 -0.204 0.000 0.935 709 D HN 0.236 nan 8.370 nan 0.000 0.521 710 N N 0.931 119.650 118.700 0.032 0.000 2.187 710 N HA -0.056 4.685 4.740 0.002 0.000 0.190 710 N C -0.016 175.407 175.510 -0.145 0.000 1.052 710 N CA 0.701 53.820 53.050 0.115 0.000 0.863 710 N CB 0.367 38.931 38.487 0.128 0.000 1.041 710 N HN -0.071 nan 8.380 nan 0.000 0.447 711 V N 2.718 122.531 119.914 -0.169 0.000 2.294 711 V HA 0.214 4.335 4.120 0.002 0.000 0.272 711 V C -0.592 175.511 176.094 0.015 0.000 1.027 711 V CA -0.490 61.761 62.300 -0.081 0.000 0.823 711 V CB -0.026 31.785 31.823 -0.019 0.000 1.030 711 V HN 0.283 nan 8.190 nan 0.000 0.457 712 H N 3.191 122.220 119.070 -0.067 0.000 2.871 712 H HA -0.003 4.554 4.556 0.002 0.000 0.355 712 H C 0.787 175.946 175.328 -0.281 0.000 1.092 712 H CA -0.066 55.857 56.048 -0.209 0.000 1.420 712 H CB 0.769 30.335 29.762 -0.327 0.000 1.400 712 H HN 0.624 nan 8.280 nan 0.000 0.604 713 F N 1.969 121.699 119.950 -0.368 0.000 2.236 713 F HA -0.287 4.241 4.527 0.002 0.000 0.302 713 F C 2.528 178.077 175.800 -0.419 0.000 1.073 713 F CA 1.669 59.290 58.000 -0.632 0.000 1.336 713 F CB -0.192 38.597 39.000 -0.353 0.000 1.040 713 F HN 0.662 nan 8.300 nan 0.000 0.507 714 Q N 0.214 119.883 119.800 -0.217 0.000 2.112 714 Q HA -0.301 4.040 4.340 0.002 0.000 0.206 714 Q C 2.028 177.833 176.000 -0.325 0.000 0.987 714 Q CA 2.192 57.829 55.803 -0.278 0.000 0.858 714 Q CB -0.389 28.145 28.738 -0.340 0.000 0.905 714 Q HN 0.592 nan 8.270 nan 0.000 0.420 715 Q N -0.443 119.209 119.800 -0.246 0.000 2.170 715 Q HA -0.099 4.243 4.340 0.002 0.000 0.203 715 Q C 2.051 177.982 176.000 -0.114 0.000 0.976 715 Q CA 1.495 57.273 55.803 -0.041 0.000 0.858 715 Q CB 0.083 28.863 28.738 0.070 0.000 0.907 715 Q HN 0.300 nan 8.270 nan 0.000 0.433 716 S N 0.001 115.510 115.700 -0.317 0.000 2.478 716 S HA 0.096 4.568 4.470 0.002 0.000 0.222 716 S C 1.868 176.236 174.600 -0.387 0.000 1.008 716 S CA 0.485 58.498 58.200 -0.312 0.000 0.928 716 S CB 0.171 63.172 63.200 -0.333 0.000 0.781 716 S HN 0.430 nan 8.310 nan 0.000 0.518 717 A N 1.107 123.625 122.820 -0.504 0.000 2.015 717 A HA -0.061 4.260 4.320 0.002 0.000 0.219 717 A C 2.030 179.529 177.584 -0.142 0.000 1.163 717 A CA 0.975 52.835 52.037 -0.295 0.000 0.646 717 A CB -0.243 18.633 19.000 -0.206 0.000 0.806 717 A HN 0.337 nan 8.150 nan 0.000 0.448 718 Q N -0.664 119.066 119.800 -0.117 0.000 2.331 718 Q HA 0.140 4.481 4.340 0.002 0.000 0.203 718 Q C 1.932 177.890 176.000 -0.069 0.000 0.944 718 Q CA 0.606 56.388 55.803 -0.036 0.000 0.892 718 Q CB -0.101 28.691 28.738 0.090 0.000 0.983 718 Q HN 0.762 nan 8.270 nan 0.000 0.482 719 I N 0.897 121.399 120.570 -0.114 0.000 2.333 719 I HA -0.213 3.958 4.170 0.002 0.000 0.246 719 I C 2.450 178.420 176.117 -0.244 0.000 1.106 719 I CA 1.253 62.446 61.300 -0.178 0.000 1.411 719 I CB -0.185 37.719 38.000 -0.161 0.000 1.082 719 I HN 0.156 nan 8.210 nan 0.000 0.420 720 S N 0.758 116.357 115.700 -0.168 0.000 2.387 720 S HA -0.225 4.247 4.470 0.002 0.000 0.226 720 S C 2.052 176.659 174.600 0.012 0.000 1.026 720 S CA 1.075 59.235 58.200 -0.067 0.000 0.972 720 S CB -0.319 62.983 63.200 0.169 0.000 0.814 720 S HN 0.316 nan 8.310 nan 0.000 0.477 721 K N 1.626 122.018 120.400 -0.013 0.000 2.063 721 K HA -0.009 4.312 4.320 0.002 0.000 0.208 721 K C 2.303 178.892 176.600 -0.018 0.000 1.048 721 K CA 1.267 57.555 56.287 0.003 0.000 0.928 721 K CB -0.721 31.775 32.500 -0.008 0.000 0.713 721 K HN 0.459 nan 8.250 nan 0.000 0.442 722 A N 1.061 123.840 122.820 -0.067 0.000 1.902 722 A HA -0.128 4.193 4.320 0.002 0.000 0.217 722 A C 2.107 179.634 177.584 -0.096 0.000 1.181 722 A CA 1.362 53.349 52.037 -0.083 0.000 0.623 722 A CB -0.606 18.322 19.000 -0.120 0.000 0.818 722 A HN 0.327 nan 8.150 nan 0.000 0.443 723 L N -0.605 120.520 121.223 -0.163 0.000 2.056 723 L HA -0.146 4.195 4.340 0.002 0.000 0.207 723 L C 2.518 179.423 176.870 0.058 0.000 1.078 723 L CA 1.057 55.811 54.840 -0.142 0.000 0.749 723 L CB -0.583 41.245 42.059 -0.384 0.000 0.901 723 L HN 0.249 nan 8.230 nan 0.000 0.433 724 V N -0.280 119.706 119.914 0.119 0.000 2.407 724 V HA -0.268 3.853 4.120 0.002 0.000 0.248 724 V C 1.879 178.012 176.094 0.065 0.000 1.055 724 V CA 1.765 64.141 62.300 0.128 0.000 1.049 724 V CB -0.534 31.360 31.823 0.118 0.000 0.662 724 V HN 0.425 nan 8.190 nan 0.000 0.455 725 D N -0.322 120.100 120.400 0.036 0.000 2.310 725 D HA -0.064 4.577 4.640 0.002 0.000 0.212 725 D C 1.699 178.013 176.300 0.024 0.000 0.965 725 D CA 0.797 54.811 54.000 0.023 0.000 0.879 725 D CB 0.211 41.017 40.800 0.009 0.000 0.921 725 D HN 0.369 nan 8.370 nan 0.000 0.510 726 V N -0.718 119.212 119.914 0.027 0.000 3.578 726 V HA 0.240 4.361 4.120 0.002 0.000 0.290 726 V C 1.393 177.517 176.094 0.050 0.000 1.376 726 V CA 0.591 62.910 62.300 0.031 0.000 1.083 726 V CB 0.406 32.241 31.823 0.019 0.000 0.911 726 V HN 0.297 nan 8.190 nan 0.000 0.433 727 G N 1.015 109.853 108.800 0.064 0.000 2.182 727 G HA2 -0.200 3.761 3.960 0.002 0.000 0.248 727 G HA3 -0.200 3.761 3.960 0.002 0.000 0.248 727 G C 0.013 174.976 174.900 0.104 0.000 1.042 727 G CA 0.241 45.386 45.100 0.075 0.000 0.775 727 G HN 0.404 nan 8.290 nan 0.000 0.501 728 V N 0.469 120.468 119.914 0.142 0.000 2.394 728 V HA 0.498 4.619 4.120 0.002 0.000 0.282 728 V C 0.324 176.612 176.094 0.323 0.000 1.031 728 V CA -0.482 61.938 62.300 0.201 0.000 0.881 728 V CB 1.756 33.685 31.823 0.178 0.000 0.982 728 V HN 0.414 nan 8.190 nan 0.000 0.451 729 D N 4.079 124.640 120.400 0.268 0.000 2.255 729 D HA 0.637 5.278 4.640 0.002 0.000 0.249 729 D C -0.655 175.877 176.300 0.387 0.000 1.078 729 D CA 0.086 54.218 54.000 0.221 0.000 0.896 729 D CB 0.812 41.677 40.800 0.110 0.000 1.194 729 D HN 0.356 nan 8.370 nan 0.000 0.429 730 F N -0.170 119.853 119.950 0.121 0.000 2.741 730 F HA 0.441 4.969 4.527 0.002 0.000 0.313 730 F C -1.260 174.593 175.800 0.089 0.000 1.153 730 F CA -1.175 56.918 58.000 0.155 0.000 0.931 730 F CB 0.643 39.767 39.000 0.208 0.000 1.335 730 F HN 0.093 nan 8.300 nan 0.000 0.460 731 Q N 1.307 121.220 119.800 0.188 0.000 2.227 731 Q HA 0.817 5.158 4.340 0.002 0.000 0.245 731 Q C -0.646 175.375 176.000 0.035 0.000 0.926 731 Q CA -0.662 55.158 55.803 0.030 0.000 0.895 731 Q CB 2.065 30.848 28.738 0.075 0.000 1.230 731 Q HN 1.035 nan 8.270 nan 0.000 0.450 732 A N 1.279 124.080 122.820 -0.033 0.000 2.569 732 A HA 0.856 5.177 4.320 0.002 0.000 0.290 732 A C -1.388 176.138 177.584 -0.095 0.000 1.136 732 A CA -0.567 51.469 52.037 -0.002 0.000 0.710 732 A CB 2.067 21.111 19.000 0.075 0.000 1.303 732 A HN 0.604 nan 8.150 nan 0.000 0.413 733 M N 0.756 120.286 119.600 -0.115 0.000 2.396 733 M HA 0.466 4.947 4.480 0.002 0.000 0.222 733 M C -2.170 173.973 176.300 -0.263 0.000 0.972 733 M CA -0.578 54.498 55.300 -0.374 0.000 0.887 733 M CB 0.715 33.000 32.600 -0.525 0.000 2.378 733 M HN 1.060 nan 8.290 nan 0.000 0.446 734 W N 4.585 125.702 121.300 -0.306 0.000 2.516 734 W HA 0.794 5.455 4.660 0.002 0.000 0.343 734 W C -1.865 174.371 176.519 -0.471 0.000 1.094 734 W CA -0.730 56.514 57.345 -0.169 0.000 1.250 734 W CB 0.435 29.839 29.460 -0.092 0.000 1.308 734 W HN 0.622 nan 8.180 nan 0.000 0.588 735 Y N 2.655 123.089 120.300 0.224 0.000 2.686 735 Y HA 0.238 4.789 4.550 0.002 0.000 0.331 735 Y C 0.810 176.814 175.900 0.173 0.000 0.996 735 Y CA -1.227 56.923 58.100 0.083 0.000 1.293 735 Y CB 0.997 39.481 38.460 0.040 0.000 1.092 735 Y HN 0.626 nan 8.280 nan 0.000 0.524 736 T N 2.710 117.449 114.554 0.309 0.000 2.822 736 T HA -0.003 4.348 4.350 0.002 0.000 0.288 736 T C 0.500 175.272 174.700 0.121 0.000 0.991 736 T CA 0.970 63.174 62.100 0.174 0.000 1.176 736 T CB -0.127 68.789 68.868 0.080 0.000 0.951 736 T HN 0.806 nan 8.240 nan 0.000 0.526 737 D N 1.596 122.059 120.400 0.104 0.000 3.028 737 D HA -0.108 4.534 4.640 0.002 0.000 0.207 737 D C -0.084 176.370 176.300 0.256 0.000 1.100 737 D CA 1.099 55.133 54.000 0.057 0.000 0.995 737 D CB -0.636 40.044 40.800 -0.201 0.000 1.108 737 D HN 0.683 nan 8.370 nan 0.000 0.421 738 E N 0.893 121.251 120.200 0.262 0.000 2.231 738 E HA 0.392 4.743 4.350 0.002 0.000 0.277 738 E C 0.562 177.356 176.600 0.323 0.000 0.999 738 E CA -0.333 56.237 56.400 0.285 0.000 0.827 738 E CB 1.413 31.267 29.700 0.256 0.000 1.101 738 E HN 0.343 nan 8.360 nan 0.000 0.393 739 D N -0.576 120.026 120.400 0.336 0.000 2.560 739 D HA 0.011 4.652 4.640 0.002 0.000 0.277 739 D C 1.048 177.599 176.300 0.419 0.000 1.194 739 D CA -0.314 53.908 54.000 0.370 0.000 1.092 739 D CB -0.085 40.950 40.800 0.391 0.000 1.169 739 D HN 0.377 nan 8.370 nan 0.000 0.607 740 H N -1.567 117.698 119.070 0.326 0.000 2.520 740 H HA 0.001 4.558 4.556 0.002 0.000 0.295 740 H C 1.795 177.379 175.328 0.427 0.000 1.096 740 H CA 1.993 58.258 56.048 0.362 0.000 1.249 740 H CB -0.372 29.580 29.762 0.316 0.000 1.365 740 H HN 0.498 nan 8.280 nan 0.000 0.556 741 G N -0.600 108.391 108.800 0.319 0.000 2.545 741 G HA2 0.041 4.002 3.960 0.002 0.000 0.212 741 G HA3 0.041 4.002 3.960 0.002 0.000 0.212 741 G C 0.692 175.780 174.900 0.313 0.000 1.144 741 G CA 0.308 45.519 45.100 0.186 0.000 0.813 741 G HN 0.489 nan 8.290 nan 0.000 0.531 742 I N 0.235 120.998 120.570 0.322 0.000 6.572 742 I HA -0.316 3.855 4.170 0.002 0.000 0.126 742 I C 1.622 177.875 176.117 0.226 0.000 1.771 742 I CA 0.088 61.536 61.300 0.246 0.000 2.241 742 I CB -1.404 36.745 38.000 0.250 0.000 3.401 742 I HN 0.262 nan 8.210 nan 0.000 0.227 743 A N 0.692 123.612 122.820 0.167 0.000 2.220 743 A HA 0.202 4.523 4.320 0.002 0.000 0.211 743 A C 1.328 178.956 177.584 0.073 0.000 1.176 743 A CA 0.709 52.802 52.037 0.093 0.000 0.834 743 A CB 0.077 19.099 19.000 0.038 0.000 0.868 743 A HN 0.698 nan 8.150 nan 0.000 0.488 744 S N -0.167 115.595 115.700 0.104 0.000 2.563 744 S HA 0.098 4.569 4.470 0.002 0.000 0.284 744 S C 1.155 175.810 174.600 0.092 0.000 1.331 744 S CA 0.367 58.621 58.200 0.091 0.000 1.047 744 S CB 0.870 64.133 63.200 0.105 0.000 0.859 744 S HN 0.430 nan 8.310 nan 0.000 0.514 745 S N 2.470 118.210 115.700 0.067 0.000 2.380 745 S HA -0.229 4.242 4.470 0.002 0.000 0.229 745 S C 2.196 176.859 174.600 0.105 0.000 1.050 745 S CA 2.588 60.831 58.200 0.072 0.000 1.100 745 S CB -1.598 61.628 63.200 0.044 0.000 0.984 745 S HN 1.099 nan 8.310 nan 0.000 0.434 746 T N -0.244 114.361 114.554 0.085 0.000 2.821 746 T HA 0.140 4.491 4.350 0.002 0.000 0.267 746 T C 1.900 176.662 174.700 0.103 0.000 1.046 746 T CA 1.404 63.558 62.100 0.090 0.000 1.139 746 T CB -0.797 68.114 68.868 0.071 0.000 0.871 746 T HN 0.467 nan 8.240 nan 0.000 0.454 747 A N 1.287 124.149 122.820 0.071 0.000 1.929 747 A HA -0.040 4.281 4.320 0.002 0.000 0.216 747 A C 2.190 179.739 177.584 -0.059 0.000 1.176 747 A CA 1.851 53.864 52.037 -0.039 0.000 0.628 747 A CB -1.146 17.816 19.000 -0.064 0.000 0.816 747 A HN 0.737 nan 8.150 nan 0.000 0.444 748 H N -0.107 118.954 119.070 -0.016 0.000 2.321 748 H HA -0.110 4.447 4.556 0.002 0.000 0.300 748 H C 2.089 177.484 175.328 0.112 0.000 1.087 748 H CA 2.321 58.408 56.048 0.066 0.000 1.319 748 H CB -0.188 29.622 29.762 0.079 0.000 1.379 748 H HN 0.558 nan 8.280 nan 0.000 0.501 749 Q N -1.082 118.732 119.800 0.023 0.000 2.167 749 Q HA -0.158 4.183 4.340 0.002 0.000 0.202 749 Q C 2.143 178.125 176.000 -0.030 0.000 0.970 749 Q CA 1.143 56.912 55.803 -0.056 0.000 0.855 749 Q CB -0.101 28.641 28.738 0.007 0.000 0.911 749 Q HN 0.622 nan 8.270 nan 0.000 0.438 750 H N 0.872 119.914 119.070 -0.046 0.000 2.326 750 H HA -0.064 4.493 4.556 0.002 0.000 0.301 750 H C 1.965 177.282 175.328 -0.018 0.000 1.081 750 H CA 1.281 57.330 56.048 0.002 0.000 1.334 750 H CB 0.004 29.806 29.762 0.068 0.000 1.385 750 H HN 0.281 nan 8.280 nan 0.000 0.504 751 I N 0.123 120.641 120.570 -0.087 0.000 2.493 751 I HA -0.281 3.890 4.170 0.002 0.000 0.254 751 I C 1.463 177.330 176.117 -0.416 0.000 1.160 751 I CA 1.013 62.174 61.300 -0.232 0.000 1.445 751 I CB -0.199 37.458 38.000 -0.570 0.000 1.086 751 I HN 0.129 nan 8.210 nan 0.000 0.433 752 Y N 0.567 120.669 120.300 -0.330 0.000 2.420 752 Y HA -0.093 4.458 4.550 0.002 0.000 0.292 752 Y C 2.634 178.361 175.900 -0.289 0.000 1.119 752 Y CA 1.376 59.177 58.100 -0.499 0.000 1.229 752 Y CB -0.547 37.612 38.460 -0.501 0.000 1.026 752 Y HN 0.089 nan 8.280 nan 0.000 0.554 753 T N -1.493 113.019 114.554 -0.069 0.000 2.737 753 T HA -0.223 4.128 4.350 0.002 0.000 0.265 753 T C 1.549 176.242 174.700 -0.013 0.000 1.038 753 T CA 1.904 63.956 62.100 -0.081 0.000 1.144 753 T CB -0.437 68.371 68.868 -0.101 0.000 0.866 753 T HN 0.376 nan 8.240 nan 0.000 0.434 754 H N 0.842 119.858 119.070 -0.090 0.000 2.319 754 H HA 0.061 4.619 4.556 0.002 0.000 0.299 754 H C 2.185 177.546 175.328 0.055 0.000 1.092 754 H CA 1.679 57.737 56.048 0.017 0.000 1.302 754 H CB -0.250 29.491 29.762 -0.035 0.000 1.373 754 H HN 0.266 nan 8.280 nan 0.000 0.497 755 M N -1.033 118.563 119.600 -0.007 0.000 2.132 755 M HA -0.162 4.319 4.480 0.002 0.000 0.263 755 M C 2.502 178.953 176.300 0.251 0.000 1.065 755 M CA 1.477 56.763 55.300 -0.023 0.000 1.122 755 M CB -0.002 32.327 32.600 -0.451 0.000 1.365 755 M HN 0.163 nan 8.290 nan 0.000 0.411 756 S N -0.598 115.278 115.700 0.294 0.000 2.359 756 S HA -0.171 4.300 4.470 0.002 0.000 0.224 756 S C 1.737 176.427 174.600 0.151 0.000 1.035 756 S CA 1.083 59.524 58.200 0.402 0.000 1.018 756 S CB -0.584 62.834 63.200 0.362 0.000 0.876 756 S HN 0.458 nan 8.310 nan 0.000 0.448 757 H N -0.351 118.793 119.070 0.123 0.000 2.319 757 H HA -0.080 4.477 4.556 0.002 0.000 0.299 757 H C 2.014 177.353 175.328 0.018 0.000 1.092 757 H CA 1.471 57.540 56.048 0.035 0.000 1.302 757 H CB -0.742 28.986 29.762 -0.058 0.000 1.373 757 H HN 0.432 nan 8.280 nan 0.000 0.497 758 F N 1.368 121.323 119.950 0.009 0.000 2.095 758 F HA -0.216 4.312 4.527 0.002 0.000 0.298 758 F C 2.374 178.131 175.800 -0.073 0.000 1.104 758 F CA 1.046 59.017 58.000 -0.047 0.000 1.232 758 F CB -0.322 38.639 39.000 -0.064 0.000 0.987 758 F HN -0.020 nan 8.300 nan 0.000 0.475 759 I N 0.575 121.139 120.570 -0.010 0.000 2.252 759 I HA -0.248 3.923 4.170 0.002 0.000 0.245 759 I C 2.229 178.135 176.117 -0.351 0.000 1.102 759 I CA 1.294 62.409 61.300 -0.308 0.000 1.385 759 I CB -1.219 36.672 38.000 -0.182 0.000 1.064 759 I HN 0.198 nan 8.210 nan 0.000 0.414 760 K N 0.511 120.850 120.400 -0.103 0.000 2.026 760 K HA -0.231 4.090 4.320 0.002 0.000 0.208 760 K C 1.945 178.522 176.600 -0.039 0.000 1.048 760 K CA 1.168 57.447 56.287 -0.012 0.000 0.929 760 K CB -0.547 31.990 32.500 0.062 0.000 0.713 760 K HN 0.439 nan 8.250 nan 0.000 0.439 761 Q N 1.285 121.029 119.800 -0.093 0.000 2.030 761 Q HA -0.220 4.121 4.340 0.002 0.000 0.204 761 Q C 2.321 178.227 176.000 -0.156 0.000 0.986 761 Q CA 2.033 57.767 55.803 -0.114 0.000 0.843 761 Q CB -0.499 28.146 28.738 -0.154 0.000 0.904 761 Q HN 0.397 nan 8.270 nan 0.000 0.420 762 c N 0.051 118.452 118.600 -0.331 0.000 2.419 762 c HA -0.089 4.482 4.570 0.002 0.000 0.281 762 c C 2.258 176.372 174.090 0.040 0.000 1.336 762 c CA 0.389 56.551 56.329 -0.277 0.000 1.770 762 c CB -1.236 40.950 42.510 -0.540 0.000 1.929 762 c HN 0.591 nan 8.230 nan 0.000 0.509 763 F N 0.819 120.728 119.950 -0.069 0.000 2.390 763 F HA 0.286 4.814 4.527 0.002 0.000 0.281 763 F C 2.040 177.823 175.800 -0.029 0.000 1.016 763 F CA 0.317 58.297 58.000 -0.034 0.000 1.286 763 F CB -1.499 37.488 39.000 -0.021 0.000 1.134 763 F HN -0.007 nan 8.300 nan 0.000 0.597 764 S N 0.000 115.808 115.700 0.180 0.000 2.498 764 S HA 0.000 4.471 4.470 0.002 0.000 0.327 764 S CA 0.000 58.253 58.200 0.088 0.000 1.107 764 S CB 0.000 63.240 63.200 0.066 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517