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 1ubo_1_L DATA FIRST_RESID 19 DATA SEQUENCE SSYSGPIVVD PVTRIEGHLR IEVEVENGKV KNAYSSSTLF RGLEIILKGR DATA SEQUENCE DPRDAQHFTQ RTCGVCTYTH ALASTRCVDN AVGVHIPKNA TYIRNLVLGA DATA SEQUENCE QYLHDHIVHF YHLHALDFVD VTAALKADPA KAAKVASSIS PRKTTAADLK DATA SEQUENCE AVQDKLKTFV ETGQLGPFTN AYFLGGHPAY YLDPETNLIA TAHYLEALRL DATA SEQUENCE QVKAARAMAV FGAKNPHTQF TVVGGVTCYD ALTPQRIAEF EALWKETKAF DATA SEQUENCE VDEVYIPDLL VVAAAYKDWT QYGGTDNFIT FGEFPKDEYD LNSRFFKPGV DATA SEQUENCE VFKRDFKNIK PFDKMQIEEH VRHSWYEGAE ARHPWKGQTQ PKYTDLHGDD DATA SEQUENCE RYSWMKAPRY MGEPMETGPL AQVLIAYSQG HPKVKAVTDA VLAKLGVGPE DATA SEQUENCE ALFSTLGRTA ARGIETAVIA EYVGVMLQEY KDNIAKGDNV ICAPWEMPKQ DATA SEQUENCE AEGVGFVNAP RGGLSHWIRI EDGKIGNFQL VVPSTWTLGP RCDKNKLSPV DATA SEQUENCE EASLIGTPVA DAKRPVEILR TVHSFDPCIA CGVH 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.611 174.600 0.018 0.000 1.055 19 S CA 0.000 58.205 58.200 0.008 0.000 1.107 19 S CB 0.000 63.205 63.200 0.009 0.000 0.593 20 S N 1.072 116.789 115.700 0.028 0.000 2.587 20 S HA 0.091 4.561 4.470 0.000 0.000 0.257 20 S C -0.283 174.363 174.600 0.076 0.000 1.397 20 S CA 0.213 58.447 58.200 0.057 0.000 0.983 20 S CB -0.385 62.846 63.200 0.051 0.000 0.885 20 S HN 0.610 nan 8.310 nan 0.000 0.556 21 Y N 0.677 120.972 120.300 -0.007 0.000 2.442 21 Y HA 0.375 4.925 4.550 0.000 0.000 0.330 21 Y C -0.009 175.887 175.900 -0.007 0.000 1.129 21 Y CA 0.107 58.203 58.100 -0.008 0.000 1.365 21 Y CB 0.368 38.823 38.460 -0.010 0.000 1.233 21 Y HN 0.620 nan 8.280 nan 0.000 0.529 22 S N 3.838 119.084 115.700 -0.756 0.000 2.502 22 S HA 0.858 5.328 4.470 0.000 0.000 0.304 22 S C -0.284 173.695 174.600 -1.035 0.000 1.097 22 S CA -0.067 57.749 58.200 -0.640 0.000 1.045 22 S CB 1.343 64.356 63.200 -0.311 0.000 1.019 22 S HN 1.267 nan 8.310 nan 0.000 0.481 23 G N 3.257 111.696 108.800 -0.603 0.000 2.369 23 G HA2 0.219 4.179 3.960 0.000 0.000 0.295 23 G HA3 0.219 4.179 3.960 0.000 0.000 0.295 23 G C -3.640 171.325 174.900 0.108 0.000 1.298 23 G CA -0.862 44.065 45.100 -0.288 0.000 0.940 23 G HN 0.461 nan 8.290 nan 0.000 0.536 24 P HA 0.674 nan 4.420 nan 0.000 0.281 24 P C -0.615 176.825 177.300 0.233 0.000 1.249 24 P CA -0.316 62.890 63.100 0.177 0.000 0.810 24 P CB 1.438 33.198 31.700 0.099 0.000 1.008 25 I N 0.876 121.532 120.570 0.144 0.000 2.582 25 I HA 0.366 4.537 4.170 0.000 0.000 0.292 25 I C -0.516 175.645 176.117 0.074 0.000 1.066 25 I CA -1.140 60.202 61.300 0.069 0.000 1.053 25 I CB 2.536 40.547 38.000 0.018 0.000 1.241 25 I HN -0.020 nan 8.210 nan 0.000 0.421 26 V N 6.309 126.261 119.914 0.063 0.000 2.604 26 V HA 0.468 4.588 4.120 0.000 0.000 0.305 26 V C -0.415 175.727 176.094 0.080 0.000 1.043 26 V CA -0.692 61.655 62.300 0.079 0.000 0.888 26 V CB 2.373 34.244 31.823 0.080 0.000 0.995 26 V HN 0.412 nan 8.190 nan 0.000 0.429 27 V N 3.436 123.406 119.914 0.093 0.000 2.325 27 V HA 0.572 4.693 4.120 0.000 0.000 0.280 27 V C -0.945 175.215 176.094 0.110 0.000 1.016 27 V CA -0.264 62.098 62.300 0.103 0.000 0.818 27 V CB 1.383 33.268 31.823 0.103 0.000 1.019 27 V HN 0.927 nan 8.190 nan 0.000 0.434 28 D N 5.459 125.925 120.400 0.110 0.000 2.365 28 D HA 0.421 5.061 4.640 0.000 0.000 0.235 28 D C -2.378 173.987 176.300 0.109 0.000 1.368 28 D CA -0.645 53.427 54.000 0.119 0.000 1.001 28 D CB 2.458 43.331 40.800 0.121 0.000 1.364 28 D HN 0.416 nan 8.370 nan 0.000 0.577 29 P HA 0.312 nan 4.420 nan 0.000 0.282 29 P C -0.374 176.996 177.300 0.116 0.000 1.249 29 P CA -0.580 62.600 63.100 0.134 0.000 0.806 29 P CB 1.278 33.063 31.700 0.142 0.000 0.984 30 V N 3.315 123.302 119.914 0.121 0.000 2.397 30 V HA 0.092 4.212 4.120 0.000 0.000 0.262 30 V C 1.374 177.545 176.094 0.128 0.000 1.047 30 V CA 0.077 62.440 62.300 0.105 0.000 1.003 30 V CB -0.279 31.597 31.823 0.089 0.000 1.037 30 V HN 0.861 nan 8.190 nan 0.000 0.480 31 T N 2.447 117.077 114.554 0.126 0.000 2.810 31 T HA 0.490 4.840 4.350 0.000 0.000 0.277 31 T C 0.604 175.428 174.700 0.207 0.000 0.973 31 T CA -0.773 61.398 62.100 0.118 0.000 0.949 31 T CB 0.440 69.340 68.868 0.053 0.000 1.075 31 T HN 0.606 nan 8.240 nan 0.000 0.537 32 R N -0.009 120.544 120.500 0.088 0.000 3.416 32 R HA -0.141 4.199 4.340 0.000 0.000 0.263 32 R C -0.112 176.204 176.300 0.026 0.000 1.053 32 R CA 0.814 56.907 56.100 -0.012 0.000 0.705 32 R CB -2.152 28.039 30.300 -0.182 0.000 1.124 32 R HN 0.786 nan 8.270 nan 0.000 0.444 33 I N -4.580 116.060 120.570 0.117 0.000 3.264 33 I HA 0.547 4.717 4.170 0.000 0.000 0.315 33 I C -0.145 176.019 176.117 0.080 0.000 1.154 33 I CA -1.247 60.140 61.300 0.144 0.000 0.962 33 I CB 1.992 40.106 38.000 0.191 0.000 1.265 33 I HN -0.218 nan 8.210 nan 0.000 0.463 34 E N 1.867 122.118 120.200 0.085 0.000 2.283 34 E HA 0.554 4.904 4.350 0.000 0.000 0.278 34 E C 0.181 176.784 176.600 0.005 0.000 1.027 34 E CA 1.038 57.463 56.400 0.041 0.000 0.843 34 E CB 1.183 30.925 29.700 0.071 0.000 1.062 34 E HN 1.045 nan 8.360 nan 0.000 0.401 35 G N 3.818 112.552 108.800 -0.111 0.000 2.681 35 G HA2 -0.229 3.731 3.960 0.000 0.000 0.220 35 G HA3 -0.229 3.731 3.960 0.000 0.000 0.220 35 G C -0.985 173.747 174.900 -0.281 0.000 1.353 35 G CA -0.191 44.774 45.100 -0.225 0.000 0.872 35 G HN 0.762 nan 8.290 nan 0.000 0.557 36 H N -0.496 118.647 119.070 0.122 0.000 2.673 36 H HA 0.644 5.200 4.556 0.000 0.000 0.293 36 H C 0.243 175.667 175.328 0.160 0.000 1.065 36 H CA -0.589 55.538 56.048 0.132 0.000 1.236 36 H CB 1.131 30.969 29.762 0.128 0.000 1.389 36 H HN 0.471 nan 8.280 nan 0.000 0.481 37 L N 3.230 124.592 121.223 0.232 0.000 2.365 37 L HA 0.517 4.858 4.340 0.000 0.000 0.273 37 L C -0.565 176.419 176.870 0.189 0.000 1.000 37 L CA -0.911 54.049 54.840 0.201 0.000 0.819 37 L CB 1.725 43.878 42.059 0.155 0.000 1.284 37 L HN 0.547 nan 8.230 nan 0.000 0.418 38 R N 5.380 125.994 120.500 0.191 0.000 2.310 38 R HA 0.503 4.843 4.340 0.000 0.000 0.324 38 R C -1.324 175.068 176.300 0.154 0.000 0.955 38 R CA -0.675 55.527 56.100 0.170 0.000 0.830 38 R CB 1.155 31.568 30.300 0.188 0.000 1.154 38 R HN 0.479 nan 8.270 nan 0.000 0.458 39 I N 4.041 124.688 120.570 0.130 0.000 2.359 39 I HA 0.273 4.443 4.170 0.000 0.000 0.294 39 I C -0.157 176.035 176.117 0.124 0.000 0.987 39 I CA -0.461 60.911 61.300 0.121 0.000 1.225 39 I CB 1.798 39.854 38.000 0.092 0.000 1.366 39 I HN 0.710 nan 8.210 nan 0.000 0.466 40 E N 5.673 125.963 120.200 0.149 0.000 2.187 40 E HA 0.606 4.956 4.350 0.000 0.000 0.268 40 E C -0.931 175.769 176.600 0.168 0.000 0.896 40 E CA -0.679 55.817 56.400 0.160 0.000 0.766 40 E CB 2.861 32.669 29.700 0.181 0.000 1.142 40 E HN 0.435 nan 8.360 nan 0.000 0.408 41 V N -0.659 119.331 119.914 0.128 0.000 3.040 41 V HA 0.544 4.664 4.120 0.000 0.000 0.312 41 V C -0.693 175.465 176.094 0.106 0.000 1.115 41 V CA -1.061 61.301 62.300 0.104 0.000 0.998 41 V CB 2.064 33.930 31.823 0.072 0.000 1.042 41 V HN 0.603 nan 8.190 nan 0.000 0.433 42 E N 1.106 121.354 120.200 0.081 0.000 2.151 42 E HA 0.627 4.977 4.350 0.000 0.000 0.275 42 E C -1.097 175.536 176.600 0.056 0.000 0.936 42 E CA -0.588 55.850 56.400 0.063 0.000 0.777 42 E CB 2.335 32.058 29.700 0.038 0.000 1.108 42 E HN 0.771 nan 8.360 nan 0.000 0.401 43 V N 2.494 122.453 119.914 0.076 0.000 2.628 43 V HA 0.469 4.589 4.120 0.000 0.000 0.306 43 V C -1.143 174.946 176.094 -0.008 0.000 1.045 43 V CA -0.465 61.878 62.300 0.072 0.000 0.905 43 V CB 1.844 33.776 31.823 0.182 0.000 0.997 43 V HN 0.799 nan 8.190 nan 0.000 0.436 44 E N 4.593 124.786 120.200 -0.010 0.000 2.244 44 E HA 0.421 4.771 4.350 0.000 0.000 0.260 44 E C -0.312 176.275 176.600 -0.022 0.000 0.884 44 E CA -0.576 55.800 56.400 -0.040 0.000 0.777 44 E CB 0.850 30.531 29.700 -0.032 0.000 1.197 44 E HN 0.853 nan 8.360 nan 0.000 0.416 45 N N 3.408 122.087 118.700 -0.035 0.000 2.740 45 N HA -0.211 4.529 4.740 0.000 0.000 0.248 45 N C 0.483 176.004 175.510 0.018 0.000 1.062 45 N CA 1.615 54.658 53.050 -0.010 0.000 0.704 45 N CB -1.276 37.206 38.487 -0.009 0.000 0.968 45 N HN 0.972 nan 8.380 nan 0.000 0.547 46 G N -1.679 107.151 108.800 0.049 0.000 2.162 46 G HA2 -0.353 3.607 3.960 0.000 0.000 0.260 46 G HA3 -0.353 3.607 3.960 0.000 0.000 0.260 46 G C -0.006 174.915 174.900 0.036 0.000 0.976 46 G CA 0.918 46.060 45.100 0.069 0.000 0.655 46 G HN 0.554 nan 8.290 nan 0.000 0.533 47 K N -0.187 120.225 120.400 0.021 0.000 2.378 47 K HA 0.593 4.913 4.320 0.000 0.000 0.252 47 K C 0.169 176.774 176.600 0.008 0.000 0.931 47 K CA -1.006 55.278 56.287 -0.006 0.000 0.794 47 K CB 2.967 35.457 32.500 -0.016 0.000 1.181 47 K HN 0.025 nan 8.250 nan 0.000 0.425 48 V N 3.661 123.574 119.914 -0.001 0.000 2.599 48 V HA -0.049 4.071 4.120 0.000 0.000 0.300 48 V C 1.310 177.404 176.094 -0.000 0.000 1.034 48 V CA 0.672 62.979 62.300 0.011 0.000 1.115 48 V CB 0.717 32.547 31.823 0.011 0.000 0.934 48 V HN 0.839 nan 8.190 nan 0.000 0.485 49 K N 4.417 124.816 120.400 -0.003 0.000 2.391 49 K HA 0.224 4.544 4.320 0.000 0.000 0.197 49 K C 0.516 177.094 176.600 -0.037 0.000 1.087 49 K CA 0.116 56.393 56.287 -0.016 0.000 1.012 49 K CB 0.486 32.977 32.500 -0.015 0.000 0.925 49 K HN 0.765 nan 8.250 nan 0.000 0.547 50 N N -0.674 118.000 118.700 -0.044 0.000 2.598 50 N HA 0.468 5.208 4.740 0.000 0.000 0.263 50 N C -2.210 173.227 175.510 -0.123 0.000 1.254 50 N CA -0.621 52.363 53.050 -0.110 0.000 0.863 50 N CB 2.232 40.663 38.487 -0.093 0.000 1.586 50 N HN 0.146 nan 8.380 nan 0.000 0.491 51 A N 1.584 124.226 122.820 -0.297 0.000 2.589 51 A HA 0.625 4.945 4.320 0.000 0.000 0.296 51 A C -2.292 174.965 177.584 -0.544 0.000 1.062 51 A CA -0.360 51.540 52.037 -0.228 0.000 0.686 51 A CB 0.967 19.903 19.000 -0.106 0.000 1.282 51 A HN 0.594 nan 8.150 nan 0.000 0.404 52 Y N 0.319 120.550 120.300 -0.114 0.000 2.406 52 Y HA 0.620 5.170 4.550 0.000 0.000 0.340 52 Y C 0.551 176.436 175.900 -0.026 0.000 0.975 52 Y CA -0.474 57.494 58.100 -0.220 0.000 1.056 52 Y CB 2.671 40.850 38.460 -0.468 0.000 1.210 52 Y HN 0.603 nan 8.280 nan 0.000 0.448 53 S N 2.474 118.326 115.700 0.252 0.000 2.461 53 S HA 0.395 4.865 4.470 0.000 0.000 0.322 53 S C -0.666 174.111 174.600 0.296 0.000 1.063 53 S CA -0.397 57.934 58.200 0.219 0.000 1.120 53 S CB 0.244 63.518 63.200 0.122 0.000 0.968 53 S HN 0.580 nan 8.310 nan 0.000 0.467 54 S N 4.272 120.117 115.700 0.241 0.000 2.448 54 S HA 0.531 5.001 4.470 0.000 0.000 0.320 54 S C -0.429 174.295 174.600 0.208 0.000 1.071 54 S CA -0.552 57.772 58.200 0.206 0.000 1.113 54 S CB 0.572 63.900 63.200 0.214 0.000 0.972 54 S HN 0.639 nan 8.310 nan 0.000 0.465 55 S N 3.296 119.113 115.700 0.196 0.000 2.475 55 S HA 0.356 4.826 4.470 0.000 0.000 0.281 55 S C 0.997 175.913 174.600 0.526 0.000 1.198 55 S CA -0.586 57.800 58.200 0.310 0.000 1.063 55 S CB 1.210 64.578 63.200 0.279 0.000 0.972 55 S HN 0.881 nan 8.310 nan 0.000 0.486 56 T N 0.346 115.207 114.554 0.511 0.000 3.182 56 T HA 0.396 4.746 4.350 0.000 0.000 0.277 56 T C -0.204 174.763 174.700 0.444 0.000 1.013 56 T CA -0.304 62.148 62.100 0.587 0.000 0.900 56 T CB -0.346 68.751 68.868 0.382 0.000 1.098 56 T HN 0.330 nan 8.240 nan 0.000 0.543 57 L N 1.115 122.559 121.223 0.367 0.000 2.386 57 L HA 0.845 5.185 4.340 0.000 0.000 0.271 57 L C -1.754 175.085 176.870 -0.051 0.000 0.993 57 L CA -1.411 53.484 54.840 0.092 0.000 0.819 57 L CB 2.011 44.165 42.059 0.158 0.000 1.294 57 L HN 0.245 nan 8.230 nan 0.000 0.414 58 F N 4.314 123.888 119.950 -0.626 0.000 2.520 58 F HA 0.617 5.144 4.527 0.000 0.000 0.322 58 F C 0.567 176.136 175.800 -0.384 0.000 1.103 58 F CA -0.321 57.291 58.000 -0.646 0.000 0.926 58 F CB 1.855 39.979 39.000 -1.460 0.000 1.154 58 F HN 0.631 nan 8.300 nan 0.000 0.453 59 R N 2.384 122.326 120.500 -0.929 0.000 2.194 59 R HA 0.316 4.656 4.340 0.000 0.000 0.194 59 R C 0.566 176.300 176.300 -0.944 0.000 0.985 59 R CA 0.355 56.039 56.100 -0.694 0.000 1.104 59 R CB 0.460 30.550 30.300 -0.349 0.000 1.092 59 R HN 0.959 nan 8.270 nan 0.000 0.555 60 G N 1.597 109.573 108.800 -1.374 0.000 2.203 60 G HA2 -0.205 3.755 3.960 0.000 0.000 0.231 60 G HA3 -0.205 3.755 3.960 0.000 0.000 0.231 60 G C 0.516 175.264 174.900 -0.253 0.000 1.058 60 G CA -0.063 44.547 45.100 -0.816 0.000 0.781 60 G HN 0.146 nan 8.290 nan 0.000 0.496 61 L N -0.743 120.368 121.223 -0.186 0.000 2.131 61 L HA -0.065 4.275 4.340 0.000 0.000 0.210 61 L C 2.714 179.546 176.870 -0.063 0.000 1.092 61 L CA 1.991 56.781 54.840 -0.084 0.000 0.759 61 L CB -0.372 41.653 42.059 -0.058 0.000 0.903 61 L HN 0.473 nan 8.230 nan 0.000 0.435 62 E N 0.485 120.698 120.200 0.022 0.000 2.110 62 E HA -0.197 4.153 4.350 0.000 0.000 0.193 62 E C 2.246 178.868 176.600 0.038 0.000 0.988 62 E CA 1.128 57.566 56.400 0.064 0.000 0.804 62 E CB -0.070 29.722 29.700 0.152 0.000 0.745 62 E HN 0.486 nan 8.360 nan 0.000 0.458 63 I N 0.694 121.295 120.570 0.052 0.000 2.252 63 I HA -0.249 3.921 4.170 0.000 0.000 0.245 63 I C 2.245 178.353 176.117 -0.016 0.000 1.102 63 I CA 1.022 62.353 61.300 0.051 0.000 1.385 63 I CB -0.192 37.872 38.000 0.106 0.000 1.064 63 I HN 0.093 nan 8.210 nan 0.000 0.414 64 I N 0.471 121.008 120.570 -0.056 0.000 2.361 64 I HA -0.267 3.903 4.170 0.000 0.000 0.251 64 I C 2.291 178.257 176.117 -0.251 0.000 1.133 64 I CA 1.300 62.536 61.300 -0.107 0.000 1.413 64 I CB -0.161 37.802 38.000 -0.061 0.000 1.073 64 I HN 0.216 nan 8.210 nan 0.000 0.424 65 L N 0.296 121.344 121.223 -0.291 0.000 2.291 65 L HA -0.077 4.263 4.340 0.000 0.000 0.214 65 L C 0.962 177.702 176.870 -0.216 0.000 1.120 65 L CA 0.545 55.142 54.840 -0.404 0.000 0.799 65 L CB -0.365 41.460 42.059 -0.390 0.000 0.925 65 L HN 0.094 nan 8.230 nan 0.000 0.446 66 K N 0.400 120.739 120.400 -0.101 0.000 2.484 66 K HA 0.136 4.456 4.320 0.000 0.000 0.280 66 K C 1.123 177.695 176.600 -0.047 0.000 1.013 66 K CA 0.733 56.999 56.287 -0.035 0.000 1.029 66 K CB 0.261 32.761 32.500 -0.000 0.000 0.902 66 K HN 0.245 nan 8.250 nan 0.000 0.481 67 G N 2.406 111.194 108.800 -0.020 0.000 2.199 67 G HA2 -0.292 3.668 3.960 0.000 0.000 0.254 67 G HA3 -0.292 3.668 3.960 0.000 0.000 0.254 67 G C 0.166 175.052 174.900 -0.023 0.000 0.982 67 G CA -0.057 45.035 45.100 -0.013 0.000 0.632 67 G HN 0.580 nan 8.290 nan 0.000 0.529 68 R N 0.321 120.784 120.500 -0.062 0.000 2.541 68 R HA 0.424 4.764 4.340 0.000 0.000 0.263 68 R C -0.224 176.067 176.300 -0.015 0.000 1.112 68 R CA -0.542 55.518 56.100 -0.067 0.000 1.170 68 R CB 0.345 30.527 30.300 -0.197 0.000 1.167 68 R HN 0.188 nan 8.270 nan 0.000 0.582 69 D N 1.173 121.586 120.400 0.021 0.000 2.417 69 D HA 0.019 4.659 4.640 0.000 0.000 0.250 69 D C -1.688 174.652 176.300 0.066 0.000 1.166 69 D CA -1.816 52.223 54.000 0.065 0.000 0.881 69 D CB 1.221 42.077 40.800 0.093 0.000 1.164 69 D HN 0.115 nan 8.370 nan 0.000 0.467 70 P HA -0.090 nan 4.420 nan 0.000 0.219 70 P C 1.064 178.410 177.300 0.077 0.000 1.146 70 P CA 1.039 64.194 63.100 0.091 0.000 0.808 70 P CB 0.206 31.974 31.700 0.113 0.000 0.779 71 R N -0.675 119.899 120.500 0.123 0.000 2.193 71 R HA -0.093 4.247 4.340 0.000 0.000 0.229 71 R C 1.131 177.517 176.300 0.145 0.000 1.110 71 R CA 1.056 57.235 56.100 0.133 0.000 0.988 71 R CB -0.545 29.893 30.300 0.230 0.000 0.871 71 R HN 0.248 nan 8.270 nan 0.000 0.458 72 D N 0.217 120.711 120.400 0.157 0.000 2.347 72 D HA 0.037 4.677 4.640 0.000 0.000 0.213 72 D C 1.620 178.043 176.300 0.205 0.000 0.985 72 D CA 0.579 54.741 54.000 0.271 0.000 0.879 72 D CB 0.109 41.085 40.800 0.293 0.000 0.919 72 D HN 0.175 nan 8.370 nan 0.000 0.526 73 A N 1.517 124.326 122.820 -0.017 0.000 1.908 73 A HA -0.280 4.040 4.320 0.000 0.000 0.218 73 A C 2.157 179.651 177.584 -0.151 0.000 1.181 73 A CA 1.983 53.885 52.037 -0.225 0.000 0.627 73 A CB -0.756 17.974 19.000 -0.450 0.000 0.818 73 A HN 0.389 nan 8.150 nan 0.000 0.445 74 Q N -1.038 118.658 119.800 -0.174 0.000 2.170 74 Q HA -0.238 4.102 4.340 0.000 0.000 0.203 74 Q C 1.646 177.486 176.000 -0.267 0.000 0.976 74 Q CA 1.999 57.664 55.803 -0.230 0.000 0.858 74 Q CB -0.745 27.784 28.738 -0.348 0.000 0.907 74 Q HN 0.831 nan 8.270 nan 0.000 0.433 75 H N -0.652 118.430 119.070 0.020 0.000 2.363 75 H HA 0.001 4.557 4.556 0.000 0.000 0.301 75 H C 1.261 176.522 175.328 -0.111 0.000 1.074 75 H CA 1.510 57.526 56.048 -0.054 0.000 1.354 75 H CB -0.023 29.699 29.762 -0.067 0.000 1.397 75 H HN 0.192 nan 8.280 nan 0.000 0.516 76 F N 0.536 120.454 119.950 -0.055 0.000 2.113 76 F HA -0.183 4.344 4.527 0.000 0.000 0.297 76 F C 2.806 178.504 175.800 -0.171 0.000 1.103 76 F CA 1.591 59.519 58.000 -0.119 0.000 1.248 76 F CB -0.752 38.153 39.000 -0.159 0.000 0.999 76 F HN 0.217 nan 8.300 nan 0.000 0.475 77 T N -2.324 112.234 114.554 0.006 0.000 2.995 77 T HA -0.192 4.158 4.350 0.000 0.000 0.269 77 T C 1.799 176.473 174.700 -0.044 0.000 1.091 77 T CA 1.075 63.133 62.100 -0.069 0.000 1.128 77 T CB -0.518 68.332 68.868 -0.029 0.000 0.891 77 T HN 0.372 nan 8.240 nan 0.000 0.492 78 Q N 0.616 120.386 119.800 -0.050 0.000 2.170 78 Q HA -0.071 4.269 4.340 0.000 0.000 0.203 78 Q C 1.792 177.658 176.000 -0.223 0.000 0.976 78 Q CA 1.038 56.792 55.803 -0.081 0.000 0.858 78 Q CB -0.036 28.610 28.738 -0.152 0.000 0.907 78 Q HN 0.326 nan 8.270 nan 0.000 0.433 79 R N -0.405 119.938 120.500 -0.261 0.000 2.328 79 R HA 0.049 4.389 4.340 0.000 0.000 0.200 79 R C 1.654 177.915 176.300 -0.064 0.000 0.983 79 R CA 0.647 56.644 56.100 -0.172 0.000 1.062 79 R CB -0.374 29.842 30.300 -0.141 0.000 0.956 79 R HN 0.222 nan 8.270 nan 0.000 0.479 80 T N -0.834 113.634 114.554 -0.144 0.000 2.759 80 T HA -0.131 4.219 4.350 0.000 0.000 0.269 80 T C 0.732 175.404 174.700 -0.046 0.000 1.042 80 T CA 1.285 63.267 62.100 -0.198 0.000 1.140 80 T CB -0.118 68.350 68.868 -0.667 0.000 0.864 80 T HN 0.377 nan 8.240 nan 0.000 0.455 81 C N -0.122 119.220 119.300 0.069 0.000 3.046 81 C HA 0.600 5.060 4.460 0.000 0.000 0.388 81 C C 1.234 176.411 174.990 0.313 0.000 1.041 81 C CA -0.548 58.579 59.018 0.183 0.000 1.241 81 C CB 0.949 28.815 27.740 0.209 0.000 1.638 81 C HN 0.477 nan 8.230 nan 0.000 0.539 82 G N 2.759 111.692 108.800 0.222 0.000 3.126 82 G HA2 0.228 4.188 3.960 0.000 0.000 0.224 82 G HA3 0.228 4.188 3.960 0.000 0.000 0.224 82 G C 0.947 175.883 174.900 0.059 0.000 1.142 82 G CA 0.978 46.123 45.100 0.074 0.000 0.759 82 G HN 0.711 nan 8.290 nan 0.000 0.550 83 V N 1.271 121.251 119.914 0.110 0.000 2.273 83 V HA -0.091 4.029 4.120 0.000 0.000 0.242 83 V C 2.381 178.563 176.094 0.147 0.000 1.035 83 V CA 1.535 63.909 62.300 0.123 0.000 1.013 83 V CB -0.593 31.299 31.823 0.116 0.000 0.652 83 V HN 0.590 nan 8.190 nan 0.000 0.452 84 C N 1.168 120.560 119.300 0.154 0.000 2.882 84 C HA 0.402 4.862 4.460 0.000 0.000 0.492 84 C C 1.150 176.262 174.990 0.204 0.000 1.279 84 C CA -0.996 58.105 59.018 0.139 0.000 1.551 84 C CB -2.428 25.366 27.740 0.091 0.000 2.037 84 C HN 0.451 nan 8.230 nan 0.000 0.625 85 T N -0.333 114.356 114.554 0.225 0.000 2.791 85 T HA 0.130 4.480 4.350 0.000 0.000 0.323 85 T C 0.579 175.488 174.700 0.349 0.000 1.082 85 T CA 1.523 63.814 62.100 0.318 0.000 1.084 85 T CB 0.064 69.076 68.868 0.240 0.000 0.992 85 T HN 1.275 nan 8.240 nan 0.000 0.547 86 Y N 0.334 120.764 120.300 0.216 0.000 2.902 86 Y HA -0.409 4.142 4.550 0.000 0.000 0.486 86 Y C 1.999 177.948 175.900 0.081 0.000 1.163 86 Y CA 2.854 61.053 58.100 0.164 0.000 2.765 86 Y CB -2.009 36.565 38.460 0.190 0.000 0.870 86 Y HN 0.881 nan 8.280 nan 0.000 0.536 87 T N -1.983 112.494 114.554 -0.128 0.000 2.720 87 T HA -0.266 4.084 4.350 0.000 0.000 0.268 87 T C 1.362 175.798 174.700 -0.439 0.000 1.037 87 T CA 1.994 63.866 62.100 -0.380 0.000 1.144 87 T CB -0.734 67.954 68.868 -0.301 0.000 0.864 87 T HN 0.758 nan 8.240 nan 0.000 0.444 88 H N 1.051 120.038 119.070 -0.139 0.000 2.436 88 H HA 0.342 4.898 4.556 0.000 0.000 0.294 88 H C 2.817 178.054 175.328 -0.152 0.000 1.048 88 H CA 1.067 57.052 56.048 -0.105 0.000 1.353 88 H CB -0.454 29.378 29.762 0.116 0.000 1.414 88 H HN 0.579 nan 8.280 nan 0.000 0.536 89 A N 1.403 124.194 122.820 -0.049 0.000 1.902 89 A HA -0.143 4.177 4.320 0.000 0.000 0.217 89 A C 2.461 179.887 177.584 -0.262 0.000 1.181 89 A CA 1.254 53.215 52.037 -0.127 0.000 0.623 89 A CB -0.684 18.286 19.000 -0.050 0.000 0.818 89 A HN 0.280 nan 8.150 nan 0.000 0.443 90 L N -0.385 120.566 121.223 -0.453 0.000 2.056 90 L HA 0.005 4.345 4.340 0.000 0.000 0.207 90 L C 2.634 179.259 176.870 -0.409 0.000 1.078 90 L CA 2.134 56.677 54.840 -0.495 0.000 0.749 90 L CB -0.748 40.844 42.059 -0.779 0.000 0.901 90 L HN 0.322 nan 8.230 nan 0.000 0.433 91 A N -1.587 120.931 122.820 -0.503 0.000 1.898 91 A HA -0.159 4.161 4.320 0.000 0.000 0.216 91 A C 2.407 179.709 177.584 -0.471 0.000 1.181 91 A CA 1.891 53.557 52.037 -0.619 0.000 0.620 91 A CB -0.893 17.468 19.000 -1.065 0.000 0.819 91 A HN 0.502 nan 8.150 nan 0.000 0.442 92 S N -0.587 114.966 115.700 -0.246 0.000 2.383 92 S HA -0.103 4.367 4.470 0.000 0.000 0.227 92 S C 2.050 176.624 174.600 -0.042 0.000 1.026 92 S CA 1.721 60.016 58.200 0.158 0.000 0.981 92 S CB -0.406 62.936 63.200 0.238 0.000 0.818 92 S HN 0.706 nan 8.310 nan 0.000 0.472 93 T N 2.003 116.459 114.554 -0.163 0.000 2.821 93 T HA -0.019 4.331 4.350 0.000 0.000 0.267 93 T C 1.862 176.424 174.700 -0.231 0.000 1.046 93 T CA 0.918 62.895 62.100 -0.204 0.000 1.139 93 T CB -0.137 68.592 68.868 -0.232 0.000 0.871 93 T HN 0.328 nan 8.240 nan 0.000 0.454 94 R N 0.136 120.483 120.500 -0.256 0.000 2.096 94 R HA -0.069 4.271 4.340 0.000 0.000 0.235 94 R C 2.866 178.984 176.300 -0.302 0.000 1.127 94 R CA 1.304 57.233 56.100 -0.286 0.000 0.968 94 R CB -0.857 29.263 30.300 -0.300 0.000 0.861 94 R HN 0.420 nan 8.270 nan 0.000 0.440 95 C N 0.120 119.257 119.300 -0.271 0.000 2.432 95 C HA -0.046 4.414 4.460 0.000 0.000 0.277 95 C C 2.537 177.423 174.990 -0.173 0.000 1.249 95 C CA 0.677 59.543 59.018 -0.254 0.000 1.725 95 C CB -0.635 26.984 27.740 -0.202 0.000 2.028 95 C HN 0.284 nan 8.230 nan 0.000 0.477 96 V N 1.284 121.117 119.914 -0.134 0.000 2.591 96 V HA -0.095 4.025 4.120 0.000 0.000 0.249 96 V C 2.264 178.208 176.094 -0.249 0.000 1.053 96 V CA 2.200 64.410 62.300 -0.150 0.000 1.068 96 V CB -0.769 30.969 31.823 -0.142 0.000 0.689 96 V HN 0.496 nan 8.190 nan 0.000 0.462 97 D N 0.534 120.762 120.400 -0.288 0.000 2.133 97 D HA -0.231 4.409 4.640 0.000 0.000 0.192 97 D C 2.102 178.295 176.300 -0.178 0.000 1.001 97 D CA 1.693 55.524 54.000 -0.281 0.000 0.844 97 D CB -0.479 40.164 40.800 -0.262 0.000 0.944 97 D HN 0.471 nan 8.370 nan 0.000 0.447 98 N N 0.597 119.166 118.700 -0.218 0.000 2.142 98 N HA -0.137 4.603 4.740 0.000 0.000 0.186 98 N C 1.737 177.238 175.510 -0.015 0.000 1.023 98 N CA 1.393 54.341 53.050 -0.168 0.000 0.852 98 N CB 0.054 38.372 38.487 -0.280 0.000 0.998 98 N HN 0.078 nan 8.380 nan 0.000 0.424 99 A N 0.648 123.441 122.820 -0.045 0.000 1.933 99 A HA -0.031 4.289 4.320 0.000 0.000 0.218 99 A C 2.289 179.889 177.584 0.026 0.000 1.175 99 A CA 1.100 53.137 52.037 -0.000 0.000 0.628 99 A CB -0.501 18.495 19.000 -0.007 0.000 0.814 99 A HN 0.215 nan 8.150 nan 0.000 0.444 100 V N -0.911 119.006 119.914 0.004 0.000 3.306 100 V HA 0.216 4.336 4.120 0.000 0.000 0.264 100 V C 1.773 177.939 176.094 0.120 0.000 1.149 100 V CA 0.995 63.339 62.300 0.072 0.000 1.143 100 V CB -0.762 31.047 31.823 -0.024 0.000 0.767 100 V HN 1.071 nan 8.190 nan 0.000 0.476 101 G N 0.595 109.464 108.800 0.116 0.000 2.160 101 G HA2 -0.219 3.741 3.960 0.000 0.000 0.251 101 G HA3 -0.219 3.741 3.960 0.000 0.000 0.251 101 G C 0.186 175.192 174.900 0.177 0.000 1.008 101 G CA 0.438 45.635 45.100 0.161 0.000 0.724 101 G HN 0.550 nan 8.290 nan 0.000 0.514 102 V N 1.352 121.348 119.914 0.136 0.000 2.607 102 V HA 0.549 4.669 4.120 0.000 0.000 0.289 102 V C 0.293 176.443 176.094 0.094 0.000 1.053 102 V CA -0.880 61.515 62.300 0.158 0.000 0.996 102 V CB 0.961 32.846 31.823 0.103 0.000 0.995 102 V HN 0.359 nan 8.190 nan 0.000 0.476 103 H N 7.358 126.497 119.070 0.115 0.000 2.623 103 H HA 0.351 4.907 4.556 0.000 0.000 0.299 103 H C 0.268 175.649 175.328 0.089 0.000 1.052 103 H CA -0.279 55.846 56.048 0.128 0.000 1.231 103 H CB 1.145 30.916 29.762 0.014 0.000 1.389 103 H HN 0.756 nan 8.280 nan 0.000 0.469 104 I N 1.207 121.851 120.570 0.124 0.000 2.882 104 I HA 0.333 4.503 4.170 0.000 0.000 0.286 104 I C -2.384 173.776 176.117 0.072 0.000 1.139 104 I CA -2.111 59.231 61.300 0.071 0.000 1.379 104 I CB 0.242 38.245 38.000 0.005 0.000 1.410 104 I HN 0.160 nan 8.210 nan 0.000 0.594 105 P HA 0.126 nan 4.420 nan 0.000 0.269 105 P C 0.022 177.336 177.300 0.024 0.000 1.215 105 P CA -0.320 62.813 63.100 0.054 0.000 0.780 105 P CB 0.543 32.279 31.700 0.060 0.000 0.898 106 K N 1.047 121.463 120.400 0.026 0.000 2.089 106 K HA -0.211 4.109 4.320 0.000 0.000 0.210 106 K C 1.514 178.117 176.600 0.004 0.000 1.048 106 K CA 1.618 57.887 56.287 -0.030 0.000 0.926 106 K CB -0.317 32.212 32.500 0.050 0.000 0.714 106 K HN 0.416 nan 8.250 nan 0.000 0.448 107 N N 0.542 119.327 118.700 0.142 0.000 2.244 107 N HA -0.106 4.635 4.740 0.000 0.000 0.183 107 N C 1.633 177.162 175.510 0.031 0.000 1.016 107 N CA 1.157 54.339 53.050 0.220 0.000 0.866 107 N CB -0.210 38.410 38.487 0.222 0.000 0.980 107 N HN 0.197 nan 8.380 nan 0.000 0.430 108 A N 0.283 123.100 122.820 -0.005 0.000 1.930 108 A HA -0.089 4.231 4.320 0.000 0.000 0.217 108 A C 2.365 179.923 177.584 -0.044 0.000 1.175 108 A CA 1.738 53.756 52.037 -0.031 0.000 0.627 108 A CB -0.940 18.047 19.000 -0.023 0.000 0.815 108 A HN 0.246 nan 8.150 nan 0.000 0.443 109 T N -1.211 113.292 114.554 -0.086 0.000 2.746 109 T HA -0.146 4.204 4.350 0.000 0.000 0.267 109 T C 1.701 176.323 174.700 -0.130 0.000 1.039 109 T CA 1.721 63.747 62.100 -0.123 0.000 1.142 109 T CB -0.454 68.292 68.868 -0.203 0.000 0.866 109 T HN 0.601 nan 8.240 nan 0.000 0.444 110 Y N 0.759 120.992 120.300 -0.112 0.000 2.145 110 Y HA -0.059 4.491 4.550 0.000 0.000 0.286 110 Y C 2.301 177.969 175.900 -0.386 0.000 1.145 110 Y CA 0.748 58.701 58.100 -0.245 0.000 1.148 110 Y CB -0.325 37.931 38.460 -0.340 0.000 0.981 110 Y HN 0.153 nan 8.280 nan 0.000 0.507 111 I N -0.261 120.122 120.570 -0.312 0.000 2.252 111 I HA -0.301 3.869 4.170 0.000 0.000 0.245 111 I C 2.334 178.443 176.117 -0.013 0.000 1.102 111 I CA 1.315 62.379 61.300 -0.394 0.000 1.385 111 I CB -0.361 37.387 38.000 -0.420 0.000 1.064 111 I HN 0.134 nan 8.210 nan 0.000 0.414 112 R N 0.641 121.233 120.500 0.154 0.000 2.091 112 R HA -0.156 4.184 4.340 0.000 0.000 0.238 112 R C 2.038 178.543 176.300 0.341 0.000 1.136 112 R CA 1.774 58.087 56.100 0.355 0.000 0.959 112 R CB -0.555 29.883 30.300 0.230 0.000 0.856 112 R HN 0.523 nan 8.270 nan 0.000 0.437 113 N N 0.362 119.196 118.700 0.224 0.000 2.188 113 N HA -0.106 4.634 4.740 0.000 0.000 0.184 113 N C 1.811 177.523 175.510 0.338 0.000 1.018 113 N CA 0.711 53.972 53.050 0.351 0.000 0.858 113 N CB -0.013 38.660 38.487 0.310 0.000 0.989 113 N HN 0.123 nan 8.380 nan 0.000 0.426 114 L N 0.625 121.914 121.223 0.109 0.000 2.056 114 L HA -0.122 4.218 4.340 0.000 0.000 0.207 114 L C 2.207 179.173 176.870 0.159 0.000 1.078 114 L CA 0.747 55.603 54.840 0.026 0.000 0.749 114 L CB -0.297 41.595 42.059 -0.278 0.000 0.901 114 L HN 0.037 nan 8.230 nan 0.000 0.433 115 V N -0.270 119.704 119.914 0.101 0.000 2.427 115 V HA -0.263 3.857 4.120 0.000 0.000 0.248 115 V C 2.303 178.529 176.094 0.220 0.000 1.051 115 V CA 1.421 63.727 62.300 0.009 0.000 1.048 115 V CB -0.336 31.251 31.823 -0.392 0.000 0.666 115 V HN 0.317 nan 8.190 nan 0.000 0.456 116 L N 1.337 122.865 121.223 0.508 0.000 2.109 116 L HA 0.070 4.410 4.340 0.000 0.000 0.207 116 L C 2.345 179.635 176.870 0.699 0.000 1.086 116 L CA 2.278 57.521 54.840 0.672 0.000 0.760 116 L CB -1.252 41.161 42.059 0.590 0.000 0.910 116 L HN 0.254 nan 8.230 nan 0.000 0.437 117 G N -0.979 108.227 108.800 0.677 0.000 2.418 117 G HA2 -0.257 3.704 3.960 0.000 0.000 0.217 117 G HA3 -0.257 3.704 3.960 0.000 0.000 0.217 117 G C 1.603 176.755 174.900 0.419 0.000 1.158 117 G CA 0.766 46.168 45.100 0.504 0.000 0.771 117 G HN 0.608 nan 8.290 nan 0.000 0.545 118 A N 0.315 123.351 122.820 0.361 0.000 1.933 118 A HA -0.092 4.228 4.320 0.000 0.000 0.218 118 A C 2.301 180.054 177.584 0.281 0.000 1.175 118 A CA 2.266 54.471 52.037 0.281 0.000 0.628 118 A CB -0.445 18.693 19.000 0.230 0.000 0.814 118 A HN 0.433 nan 8.150 nan 0.000 0.444 119 Q N -0.972 119.014 119.800 0.309 0.000 2.061 119 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 119 Q C 1.691 177.840 176.000 0.249 0.000 0.984 119 Q CA 2.215 58.181 55.803 0.272 0.000 0.846 119 Q CB -0.689 28.228 28.738 0.299 0.000 0.902 119 Q HN 0.690 nan 8.270 nan 0.000 0.421 120 Y N 0.078 120.476 120.300 0.162 0.000 2.165 120 Y HA -0.184 4.366 4.550 0.000 0.000 0.286 120 Y C 1.993 177.899 175.900 0.009 0.000 1.155 120 Y CA 1.566 59.661 58.100 -0.009 0.000 1.164 120 Y CB -0.106 38.411 38.460 0.096 0.000 0.978 120 Y HN 0.119 nan 8.280 nan 0.000 0.513 121 L N -1.341 120.081 121.223 0.333 0.000 2.027 121 L HA -0.257 4.083 4.340 0.000 0.000 0.206 121 L C 2.559 179.572 176.870 0.238 0.000 1.074 121 L CA 1.714 56.732 54.840 0.297 0.000 0.745 121 L CB -0.950 41.278 42.059 0.283 0.000 0.898 121 L HN 0.381 nan 8.230 nan 0.000 0.433 122 H N 0.342 119.492 119.070 0.135 0.000 2.290 122 H HA -0.241 4.315 4.556 0.000 0.000 0.298 122 H C 1.887 177.278 175.328 0.105 0.000 1.087 122 H CA 2.277 58.379 56.048 0.090 0.000 1.291 122 H CB 0.095 29.894 29.762 0.062 0.000 1.369 122 H HN 0.310 nan 8.280 nan 0.000 0.492 123 D N -0.229 120.223 120.400 0.087 0.000 2.084 123 D HA -0.158 4.482 4.640 0.000 0.000 0.194 123 D C 2.129 178.515 176.300 0.143 0.000 0.990 123 D CA 1.165 55.201 54.000 0.059 0.000 0.826 123 D CB -0.329 40.489 40.800 0.030 0.000 0.971 123 D HN 0.448 nan 8.370 nan 0.000 0.453 124 H N 0.094 119.241 119.070 0.128 0.000 2.423 124 H HA 0.045 4.602 4.556 0.000 0.000 0.297 124 H C 2.334 177.662 175.328 0.000 0.000 1.075 124 H CA 0.451 56.591 56.048 0.153 0.000 1.342 124 H CB -0.337 29.596 29.762 0.285 0.000 1.395 124 H HN 0.271 nan 8.280 nan 0.000 0.530 125 I N -0.405 120.207 120.570 0.070 0.000 2.179 125 I HA -0.224 3.946 4.170 0.000 0.000 0.242 125 I C 2.291 178.367 176.117 -0.068 0.000 1.088 125 I CA 0.790 62.032 61.300 -0.098 0.000 1.357 125 I CB -0.194 37.828 38.000 0.037 0.000 1.051 125 I HN 0.025 nan 8.210 nan 0.000 0.409 126 V N 0.446 120.302 119.914 -0.096 0.000 2.407 126 V HA -0.331 3.789 4.120 0.000 0.000 0.248 126 V C 2.489 178.568 176.094 -0.025 0.000 1.055 126 V CA 2.060 64.333 62.300 -0.045 0.000 1.049 126 V CB -0.980 30.782 31.823 -0.102 0.000 0.662 126 V HN 0.532 nan 8.190 nan 0.000 0.455 127 H N -0.750 118.309 119.070 -0.017 0.000 2.293 127 H HA -0.232 4.324 4.556 0.000 0.000 0.300 127 H C 2.309 177.629 175.328 -0.012 0.000 1.082 127 H CA 2.435 58.489 56.048 0.011 0.000 1.308 127 H CB -0.192 29.618 29.762 0.081 0.000 1.375 127 H HN 0.448 nan 8.280 nan 0.000 0.495 128 F N 0.537 120.358 119.950 -0.215 0.000 2.102 128 F HA -0.283 4.244 4.527 0.000 0.000 0.298 128 F C 1.932 177.458 175.800 -0.456 0.000 1.105 128 F CA 1.674 59.465 58.000 -0.348 0.000 1.239 128 F CB -0.455 38.197 39.000 -0.581 0.000 0.991 128 F HN 0.098 nan 8.300 nan 0.000 0.474 129 Y N -0.800 119.247 120.300 -0.421 0.000 2.176 129 Y HA -0.093 4.457 4.550 0.000 0.000 0.291 129 Y C 2.504 178.132 175.900 -0.452 0.000 1.122 129 Y CA 2.155 59.928 58.100 -0.546 0.000 1.128 129 Y CB -0.931 37.060 38.460 -0.782 0.000 1.005 129 Y HN 0.114 nan 8.280 nan 0.000 0.509 130 H N -1.496 117.519 119.070 -0.091 0.000 2.562 130 H HA 0.162 4.718 4.556 0.000 0.000 0.267 130 H C 1.541 176.818 175.328 -0.085 0.000 0.959 130 H CA 0.601 56.564 56.048 -0.142 0.000 1.204 130 H CB 0.335 29.951 29.762 -0.243 0.000 1.430 130 H HN 0.212 nan 8.280 nan 0.000 0.545 131 L N -1.092 120.040 121.223 -0.152 0.000 2.445 131 L HA 0.053 4.393 4.340 0.000 0.000 0.207 131 L C 2.024 178.610 176.870 -0.473 0.000 1.053 131 L CA 0.436 55.091 54.840 -0.308 0.000 0.841 131 L CB 0.022 41.870 42.059 -0.351 0.000 1.074 131 L HN 0.285 nan 8.230 nan 0.000 0.479 132 H N 0.622 119.299 119.070 -0.654 0.000 2.451 132 H HA 0.211 4.767 4.556 0.000 0.000 0.294 132 H C 2.058 177.220 175.328 -0.275 0.000 1.028 132 H CA 0.888 56.640 56.048 -0.494 0.000 1.349 132 H CB 0.378 29.878 29.762 -0.436 0.000 1.444 132 H HN 0.173 nan 8.280 nan 0.000 0.538 133 A N 0.732 123.383 122.820 -0.281 0.000 2.019 133 A HA -0.054 4.266 4.320 0.000 0.000 0.219 133 A C 2.330 179.895 177.584 -0.032 0.000 1.164 133 A CA 0.859 52.725 52.037 -0.284 0.000 0.644 133 A CB -0.822 17.928 19.000 -0.416 0.000 0.805 133 A HN 0.414 nan 8.150 nan 0.000 0.449 134 L N -0.322 120.934 121.223 0.055 0.000 2.549 134 L HA -0.113 4.227 4.340 0.000 0.000 0.229 134 L C 1.024 178.022 176.870 0.213 0.000 1.158 134 L CA 0.508 55.460 54.840 0.187 0.000 0.842 134 L CB -0.395 41.833 42.059 0.281 0.000 0.952 134 L HN 0.256 nan 8.230 nan 0.000 0.452 135 D N -0.565 119.811 120.400 -0.041 0.000 2.347 135 D HA -0.052 4.588 4.640 0.000 0.000 0.215 135 D C 1.377 177.154 176.300 -0.872 0.000 0.976 135 D CA 1.167 54.948 54.000 -0.365 0.000 0.884 135 D CB 0.253 40.683 40.800 -0.617 0.000 0.915 135 D HN 0.321 nan 8.370 nan 0.000 0.526 136 F N -0.826 118.887 119.950 -0.395 0.000 2.876 136 F HA 0.156 4.683 4.527 0.000 0.000 0.344 136 F C 0.440 176.190 175.800 -0.083 0.000 1.029 136 F CA -0.192 57.468 58.000 -0.565 0.000 1.154 136 F CB 0.989 39.566 39.000 -0.706 0.000 1.040 136 F HN -0.337 nan 8.300 nan 0.000 0.576 137 V N 1.306 121.322 119.914 0.168 0.000 2.398 137 V HA 0.241 4.361 4.120 0.000 0.000 0.286 137 V C -0.794 175.110 176.094 -0.316 0.000 1.026 137 V CA -0.775 61.527 62.300 0.004 0.000 0.868 137 V CB 1.485 33.255 31.823 -0.090 0.000 0.982 137 V HN -0.026 nan 8.190 nan 0.000 0.443 138 D N 4.260 124.389 120.400 -0.452 0.000 2.441 138 D HA 0.204 4.844 4.640 0.000 0.000 0.221 138 D C 0.856 176.609 176.300 -0.911 0.000 1.156 138 D CA -0.087 53.239 54.000 -1.123 0.000 0.896 138 D CB 1.704 42.187 40.800 -0.530 0.000 1.028 138 D HN 0.229 nan 8.370 nan 0.000 0.509 139 V N 3.359 122.550 119.914 -1.206 0.000 2.407 139 V HA -0.239 3.881 4.120 0.000 0.000 0.248 139 V C 2.541 178.356 176.094 -0.465 0.000 1.055 139 V CA 2.399 64.264 62.300 -0.725 0.000 1.049 139 V CB -0.762 30.499 31.823 -0.935 0.000 0.662 139 V HN 0.736 nan 8.190 nan 0.000 0.455 140 T N -1.319 113.025 114.554 -0.350 0.000 2.915 140 T HA -0.043 4.307 4.350 0.000 0.000 0.269 140 T C 1.847 176.476 174.700 -0.119 0.000 1.071 140 T CA 1.151 63.172 62.100 -0.132 0.000 1.132 140 T CB -0.357 68.527 68.868 0.027 0.000 0.878 140 T HN 0.452 nan 8.240 nan 0.000 0.479 141 A N 1.504 124.227 122.820 -0.161 0.000 2.067 141 A HA 0.455 4.775 4.320 0.000 0.000 0.219 141 A C 2.702 180.228 177.584 -0.097 0.000 1.158 141 A CA 1.265 53.242 52.037 -0.100 0.000 0.661 141 A CB -1.142 17.804 19.000 -0.091 0.000 0.801 141 A HN 0.702 nan 8.150 nan 0.000 0.452 142 A N -0.513 122.224 122.820 -0.139 0.000 2.024 142 A HA -0.042 4.278 4.320 0.000 0.000 0.220 142 A C 1.799 179.337 177.584 -0.076 0.000 1.164 142 A CA 1.476 53.444 52.037 -0.114 0.000 0.643 142 A CB -0.393 18.516 19.000 -0.152 0.000 0.806 142 A HN 0.384 nan 8.150 nan 0.000 0.451 143 L N -0.223 120.959 121.223 -0.067 0.000 2.275 143 L HA -0.099 4.241 4.340 0.000 0.000 0.215 143 L C 2.016 178.870 176.870 -0.026 0.000 1.119 143 L CA 2.092 56.910 54.840 -0.037 0.000 0.790 143 L CB -0.611 41.434 42.059 -0.024 0.000 0.919 143 L HN 0.610 nan 8.230 nan 0.000 0.443 144 K N -1.321 119.062 120.400 -0.029 0.000 2.374 144 K HA 0.393 4.713 4.320 0.000 0.000 0.196 144 K C 0.830 177.419 176.600 -0.018 0.000 1.023 144 K CA 0.169 56.445 56.287 -0.017 0.000 1.103 144 K CB 0.099 32.592 32.500 -0.012 0.000 0.848 144 K HN 0.079 nan 8.250 nan 0.000 0.528 145 A N 1.899 124.703 122.820 -0.026 0.000 2.366 145 A HA 0.072 4.392 4.320 0.000 0.000 0.249 145 A C -0.477 177.096 177.584 -0.018 0.000 1.084 145 A CA -0.390 51.632 52.037 -0.024 0.000 0.794 145 A CB 0.280 19.259 19.000 -0.035 0.000 1.034 145 A HN 0.258 nan 8.150 nan 0.000 0.491 146 D N 1.644 122.035 120.400 -0.015 0.000 2.365 146 D HA 0.238 4.878 4.640 0.000 0.000 0.237 146 D C -1.516 174.776 176.300 -0.013 0.000 1.190 146 D CA -1.895 52.098 54.000 -0.012 0.000 0.867 146 D CB 1.102 41.897 40.800 -0.009 0.000 1.050 146 D HN 0.163 nan 8.370 nan 0.000 0.491 147 P HA -0.075 nan 4.420 nan 0.000 0.221 147 P C 0.969 178.263 177.300 -0.010 0.000 1.150 147 P CA 0.598 63.690 63.100 -0.014 0.000 0.800 147 P CB 0.298 31.991 31.700 -0.011 0.000 0.787 148 A N 0.900 123.716 122.820 -0.007 0.000 1.897 148 A HA -0.156 4.164 4.320 0.000 0.000 0.215 148 A C 2.415 179.996 177.584 -0.005 0.000 1.181 148 A CA 1.716 53.750 52.037 -0.004 0.000 0.620 148 A CB -1.128 17.870 19.000 -0.003 0.000 0.821 148 A HN 0.138 nan 8.150 nan 0.000 0.443 149 K N -0.142 120.254 120.400 -0.006 0.000 2.057 149 K HA -0.083 4.237 4.320 0.000 0.000 0.207 149 K C 2.124 178.719 176.600 -0.008 0.000 1.049 149 K CA 1.287 57.570 56.287 -0.007 0.000 0.931 149 K CB -0.352 32.144 32.500 -0.007 0.000 0.714 149 K HN 0.327 nan 8.250 nan 0.000 0.440 150 A N 1.109 123.922 122.820 -0.013 0.000 1.902 150 A HA -0.108 4.212 4.320 0.000 0.000 0.217 150 A C 2.347 179.923 177.584 -0.012 0.000 1.181 150 A CA 1.879 53.906 52.037 -0.018 0.000 0.623 150 A CB -0.847 18.136 19.000 -0.030 0.000 0.818 150 A HN 0.509 nan 8.150 nan 0.000 0.443 151 A N -0.301 122.515 122.820 -0.007 0.000 1.902 151 A HA -0.177 4.144 4.320 0.000 0.000 0.217 151 A C 2.131 179.719 177.584 0.006 0.000 1.181 151 A CA 1.801 53.839 52.037 0.002 0.000 0.623 151 A CB -0.426 18.576 19.000 0.004 0.000 0.818 151 A HN 0.518 nan 8.150 nan 0.000 0.443 152 K N -0.451 119.950 120.400 0.002 0.000 2.057 152 K HA -0.094 4.226 4.320 0.000 0.000 0.207 152 K C 1.960 178.562 176.600 0.003 0.000 1.049 152 K CA 1.504 57.792 56.287 0.002 0.000 0.931 152 K CB -0.432 32.067 32.500 -0.001 0.000 0.714 152 K HN 0.344 nan 8.250 nan 0.000 0.440 153 V N 1.380 121.295 119.914 0.002 0.000 2.295 153 V HA -0.262 3.858 4.120 0.000 0.000 0.246 153 V C 2.409 178.511 176.094 0.014 0.000 1.049 153 V CA 2.073 64.376 62.300 0.004 0.000 1.024 153 V CB -0.729 31.095 31.823 0.001 0.000 0.648 153 V HN 0.354 nan 8.190 nan 0.000 0.447 154 A N -0.440 122.393 122.820 0.021 0.000 1.933 154 A HA -0.203 4.117 4.320 0.000 0.000 0.218 154 A C 2.417 180.026 177.584 0.042 0.000 1.175 154 A CA 2.260 54.328 52.037 0.050 0.000 0.628 154 A CB -0.622 18.417 19.000 0.064 0.000 0.814 154 A HN 0.519 nan 8.150 nan 0.000 0.444 155 S N 0.054 115.769 115.700 0.024 0.000 2.489 155 S HA -0.078 4.392 4.470 0.000 0.000 0.228 155 S C 2.136 176.738 174.600 0.004 0.000 0.995 155 S CA 1.192 59.400 58.200 0.013 0.000 0.934 155 S CB -0.225 62.980 63.200 0.009 0.000 0.771 155 S HN 0.886 nan 8.310 nan 0.000 0.522 156 S N 2.048 117.750 115.700 0.004 0.000 2.470 156 S HA 0.067 4.537 4.470 0.000 0.000 0.225 156 S C 1.633 176.228 174.600 -0.007 0.000 1.006 156 S CA 0.372 58.570 58.200 -0.003 0.000 0.934 156 S CB -0.644 62.554 63.200 -0.003 0.000 0.778 156 S HN 0.730 nan 8.310 nan 0.000 0.517 157 I N -1.457 119.112 120.570 -0.002 0.000 3.968 157 I HA 0.434 4.604 4.170 0.000 0.000 0.328 157 I C 0.431 176.534 176.117 -0.024 0.000 1.290 157 I CA -0.422 60.871 61.300 -0.011 0.000 1.163 157 I CB 0.353 38.353 38.000 0.001 0.000 1.024 157 I HN 0.251 nan 8.210 nan 0.000 0.413 158 S N 1.140 116.827 115.700 -0.021 0.000 2.546 158 S HA 0.547 5.017 4.470 0.000 0.000 0.274 158 S C -2.203 172.376 174.600 -0.035 0.000 1.121 158 S CA -1.068 57.108 58.200 -0.040 0.000 0.887 158 S CB 1.835 65.008 63.200 -0.046 0.000 1.094 158 S HN -0.067 nan 8.310 nan 0.000 0.474 159 P HA 0.013 nan 4.420 nan 0.000 0.229 159 P C 0.198 177.478 177.300 -0.033 0.000 1.160 159 P CA 0.254 63.332 63.100 -0.036 0.000 0.777 159 P CB -0.029 31.647 31.700 -0.041 0.000 0.814 160 R N 1.651 122.126 120.500 -0.042 0.000 2.449 160 R HA 0.077 4.417 4.340 0.000 0.000 0.296 160 R C 0.150 176.443 176.300 -0.012 0.000 1.047 160 R CA -0.110 55.971 56.100 -0.033 0.000 1.018 160 R CB 0.297 30.566 30.300 -0.053 0.000 0.962 160 R HN -0.101 nan 8.270 nan 0.000 0.428 161 K N 3.211 123.608 120.400 -0.005 0.000 2.276 161 K HA 0.159 4.479 4.320 0.000 0.000 0.283 161 K C -0.518 176.092 176.600 0.017 0.000 1.044 161 K CA -0.094 56.196 56.287 0.005 0.000 0.944 161 K CB 1.669 34.169 32.500 0.001 0.000 1.012 161 K HN 0.525 nan 8.250 nan 0.000 0.472 162 T N 1.847 116.417 114.554 0.026 0.000 2.824 162 T HA 0.318 4.668 4.350 0.000 0.000 0.282 162 T C 0.094 174.808 174.700 0.023 0.000 0.993 162 T CA -0.697 61.425 62.100 0.037 0.000 0.967 162 T CB 1.426 70.332 68.868 0.064 0.000 0.960 162 T HN 0.645 nan 8.240 nan 0.000 0.441 163 T N -0.271 114.294 114.554 0.020 0.000 2.948 163 T HA 0.691 5.041 4.350 0.000 0.000 0.285 163 T C 1.727 176.432 174.700 0.009 0.000 1.019 163 T CA -0.387 61.720 62.100 0.012 0.000 1.013 163 T CB 1.267 70.140 68.868 0.009 0.000 1.117 163 T HN 0.460 nan 8.240 nan 0.000 0.533 164 A N 0.776 123.599 122.820 0.005 0.000 1.940 164 A HA 0.126 4.446 4.320 0.000 0.000 0.219 164 A C 2.567 180.153 177.584 0.003 0.000 1.176 164 A CA 2.049 54.087 52.037 0.002 0.000 0.631 164 A CB -1.556 17.444 19.000 0.000 0.000 0.814 164 A HN 1.264 nan 8.150 nan 0.000 0.446 165 A N -0.269 122.554 122.820 0.005 0.000 1.930 165 A HA -0.140 4.180 4.320 0.000 0.000 0.217 165 A C 1.767 179.356 177.584 0.009 0.000 1.175 165 A CA 1.692 53.733 52.037 0.006 0.000 0.627 165 A CB -0.515 18.489 19.000 0.006 0.000 0.815 165 A HN 0.467 nan 8.150 nan 0.000 0.443 166 D N 0.235 120.642 120.400 0.012 0.000 2.116 166 D HA -0.149 4.491 4.640 0.000 0.000 0.193 166 D C 1.876 178.184 176.300 0.014 0.000 0.998 166 D CA 1.295 55.307 54.000 0.019 0.000 0.836 166 D CB -0.277 40.540 40.800 0.028 0.000 0.951 166 D HN 0.463 nan 8.370 nan 0.000 0.449 167 L N 0.279 121.506 121.223 0.006 0.000 2.270 167 L HA -0.032 4.308 4.340 0.000 0.000 0.210 167 L C 2.419 179.284 176.870 -0.008 0.000 1.104 167 L CA 0.505 55.341 54.840 -0.007 0.000 0.804 167 L CB -0.185 41.862 42.059 -0.020 0.000 0.937 167 L HN -0.032 nan 8.230 nan 0.000 0.450 168 K N 0.924 121.323 120.400 -0.003 0.000 2.097 168 K HA -0.186 4.134 4.320 0.000 0.000 0.206 168 K C 2.143 178.744 176.600 0.002 0.000 1.049 168 K CA 1.294 57.580 56.287 -0.002 0.000 0.933 168 K CB -0.042 32.458 32.500 0.001 0.000 0.717 168 K HN 0.243 nan 8.250 nan 0.000 0.442 169 A N 0.650 123.473 122.820 0.006 0.000 1.908 169 A HA -0.139 4.181 4.320 0.000 0.000 0.218 169 A C 2.226 179.816 177.584 0.010 0.000 1.181 169 A CA 1.819 53.862 52.037 0.011 0.000 0.627 169 A CB -0.692 18.316 19.000 0.014 0.000 0.818 169 A HN 0.185 nan 8.150 nan 0.000 0.445 170 V N -0.293 119.624 119.914 0.005 0.000 2.358 170 V HA -0.292 3.828 4.120 0.000 0.000 0.246 170 V C 2.687 178.776 176.094 -0.007 0.000 1.047 170 V CA 2.247 64.547 62.300 -0.000 0.000 1.035 170 V CB -0.751 31.067 31.823 -0.008 0.000 0.658 170 V HN 0.739 nan 8.190 nan 0.000 0.452 171 Q N -0.395 119.398 119.800 -0.012 0.000 2.084 171 Q HA -0.250 4.090 4.340 0.000 0.000 0.202 171 Q C 1.957 177.960 176.000 0.005 0.000 0.978 171 Q CA 1.940 57.736 55.803 -0.013 0.000 0.844 171 Q CB -0.071 28.657 28.738 -0.016 0.000 0.898 171 Q HN 0.621 nan 8.270 nan 0.000 0.426 172 D N 0.049 120.456 120.400 0.012 0.000 2.144 172 D HA -0.146 4.494 4.640 0.000 0.000 0.199 172 D C 1.707 178.029 176.300 0.037 0.000 0.984 172 D CA 1.103 55.116 54.000 0.022 0.000 0.834 172 D CB -0.032 40.780 40.800 0.019 0.000 0.955 172 D HN 0.081 nan 8.370 nan 0.000 0.465 173 K N 0.649 121.070 120.400 0.035 0.000 2.057 173 K HA -0.000 4.320 4.320 0.000 0.000 0.206 173 K C 2.068 178.718 176.600 0.084 0.000 1.050 173 K CA 0.551 56.870 56.287 0.053 0.000 0.935 173 K CB -0.405 32.115 32.500 0.034 0.000 0.715 173 K HN 0.062 nan 8.250 nan 0.000 0.439 174 L N 0.650 121.905 121.223 0.053 0.000 2.093 174 L HA -0.167 4.173 4.340 0.000 0.000 0.208 174 L C 2.370 179.320 176.870 0.133 0.000 1.085 174 L CA 1.526 56.412 54.840 0.077 0.000 0.755 174 L CB -0.335 41.719 42.059 -0.007 0.000 0.904 174 L HN 0.322 nan 8.230 nan 0.000 0.435 175 K N -0.772 119.674 120.400 0.077 0.000 2.026 175 K HA -0.187 4.133 4.320 0.000 0.000 0.208 175 K C 1.857 178.509 176.600 0.088 0.000 1.048 175 K CA 2.011 58.339 56.287 0.068 0.000 0.929 175 K CB 0.001 32.524 32.500 0.037 0.000 0.713 175 K HN 0.255 nan 8.250 nan 0.000 0.439 176 T N 0.782 115.394 114.554 0.097 0.000 2.746 176 T HA -0.164 4.186 4.350 0.000 0.000 0.267 176 T C 1.382 176.156 174.700 0.124 0.000 1.039 176 T CA 1.456 63.612 62.100 0.093 0.000 1.142 176 T CB -0.362 68.560 68.868 0.090 0.000 0.866 176 T HN 0.288 nan 8.240 nan 0.000 0.444 177 F N 1.617 121.589 119.950 0.036 0.000 2.069 177 F HA -0.160 4.367 4.527 0.000 0.000 0.298 177 F C 2.269 178.103 175.800 0.056 0.000 1.113 177 F CA 1.152 59.185 58.000 0.055 0.000 1.214 177 F CB -0.423 38.626 39.000 0.081 0.000 0.978 177 F HN -0.100 nan 8.300 nan 0.000 0.474 178 V N 0.209 120.215 119.914 0.152 0.000 2.427 178 V HA -0.261 3.859 4.120 0.000 0.000 0.248 178 V C 1.982 178.059 176.094 -0.029 0.000 1.051 178 V CA 2.157 64.485 62.300 0.047 0.000 1.048 178 V CB -0.650 31.238 31.823 0.109 0.000 0.666 178 V HN 0.337 nan 8.190 nan 0.000 0.456 179 E N 0.169 120.366 120.200 -0.005 0.000 2.478 179 E HA -0.130 4.220 4.350 0.000 0.000 0.198 179 E C 2.080 178.653 176.600 -0.045 0.000 1.046 179 E CA 1.193 57.583 56.400 -0.016 0.000 0.870 179 E CB -0.099 29.602 29.700 0.002 0.000 0.818 179 E HN 0.817 nan 8.360 nan 0.000 0.527 180 T N -3.368 111.132 114.554 -0.090 0.000 3.118 180 T HA 0.098 4.448 4.350 0.000 0.000 0.260 180 T C 1.691 176.320 174.700 -0.117 0.000 1.139 180 T CA 0.573 62.610 62.100 -0.105 0.000 1.085 180 T CB 0.231 69.010 68.868 -0.148 0.000 0.934 180 T HN 0.252 nan 8.240 nan 0.000 0.518 181 G N 1.136 109.862 108.800 -0.124 0.000 2.234 181 G HA2 -0.268 3.692 3.960 0.000 0.000 0.260 181 G HA3 -0.268 3.692 3.960 0.000 0.000 0.260 181 G C 0.075 174.896 174.900 -0.132 0.000 0.987 181 G CA 0.185 45.227 45.100 -0.098 0.000 0.625 181 G HN 0.651 nan 8.290 nan 0.000 0.532 182 Q N 0.614 120.279 119.800 -0.224 0.000 2.571 182 Q HA 0.494 4.834 4.340 0.000 0.000 0.222 182 Q C 1.101 176.864 176.000 -0.394 0.000 1.167 182 Q CA -0.746 54.913 55.803 -0.240 0.000 0.966 182 Q CB 0.648 29.257 28.738 -0.215 0.000 1.274 182 Q HN 0.213 nan 8.270 nan 0.000 0.552 183 L N 1.057 122.179 121.223 -0.169 0.000 2.478 183 L HA 0.027 4.367 4.340 0.000 0.000 0.223 183 L C 1.407 178.397 176.870 0.200 0.000 1.140 183 L CA 1.447 56.304 54.840 0.028 0.000 0.842 183 L CB -1.845 40.296 42.059 0.137 0.000 0.953 183 L HN 0.861 nan 8.230 nan 0.000 0.452 184 G N 1.297 110.138 108.800 0.068 0.000 2.622 184 G HA2 -0.340 3.620 3.960 0.000 0.000 0.307 184 G HA3 -0.340 3.620 3.960 0.000 0.000 0.307 184 G C -1.313 173.566 174.900 -0.035 0.000 1.226 184 G CA 0.387 45.536 45.100 0.082 0.000 0.997 184 G HN 0.252 nan 8.290 nan 0.000 0.551 185 P HA 0.166 nan 4.420 nan 0.000 0.234 185 P C 1.157 178.198 177.300 -0.431 0.000 1.167 185 P CA 1.021 63.897 63.100 -0.374 0.000 0.763 185 P CB -0.158 31.216 31.700 -0.544 0.000 0.835 186 F N -1.362 118.652 119.950 0.107 0.000 2.727 186 F HA 0.148 4.675 4.527 0.000 0.000 0.302 186 F C 1.023 176.799 175.800 -0.040 0.000 1.097 186 F CA -0.234 57.797 58.000 0.051 0.000 1.330 186 F CB -1.424 37.683 39.000 0.178 0.000 1.084 186 F HN -0.312 nan 8.300 nan 0.000 0.578 187 T N 1.695 116.290 114.554 0.067 0.000 2.871 187 T HA -0.050 4.300 4.350 0.000 0.000 0.296 187 T C 0.742 175.420 174.700 -0.038 0.000 0.998 187 T CA 0.348 62.457 62.100 0.015 0.000 1.162 187 T CB -0.353 68.514 68.868 -0.002 0.000 0.947 187 T HN 0.469 nan 8.240 nan 0.000 0.536 188 N N -0.213 118.461 118.700 -0.045 0.000 2.708 188 N HA -0.205 4.535 4.740 0.000 0.000 0.251 188 N C 0.206 175.639 175.510 -0.129 0.000 1.123 188 N CA -0.016 53.003 53.050 -0.052 0.000 0.739 188 N CB -0.845 37.634 38.487 -0.013 0.000 1.113 188 N HN 0.855 nan 8.380 nan 0.000 0.561 189 A N -0.125 122.530 122.820 -0.275 0.000 2.555 189 A HA 0.017 4.337 4.320 0.000 0.000 0.233 189 A C 0.917 178.244 177.584 -0.429 0.000 1.060 189 A CA 0.227 51.921 52.037 -0.572 0.000 0.759 189 A CB 0.059 18.277 19.000 -1.302 0.000 0.995 189 A HN 0.448 nan 8.150 nan 0.000 0.506 190 Y N 0.843 120.915 120.300 -0.381 0.000 2.403 190 Y HA -0.237 4.313 4.550 0.000 0.000 0.291 190 Y C 1.625 177.413 175.900 -0.186 0.000 1.143 190 Y CA 1.299 59.317 58.100 -0.136 0.000 1.257 190 Y CB -0.277 38.202 38.460 0.032 0.000 0.984 190 Y HN 0.880 nan 8.280 nan 0.000 0.550 191 F N -1.149 118.674 119.950 -0.211 0.000 2.743 191 F HA 0.200 4.727 4.527 0.000 0.000 0.297 191 F C 0.399 176.086 175.800 -0.188 0.000 1.131 191 F CA -0.533 57.153 58.000 -0.524 0.000 1.426 191 F CB -1.081 37.300 39.000 -1.031 0.000 1.116 191 F HN -0.272 nan 8.300 nan 0.000 0.583 192 L N 1.976 123.115 121.223 -0.140 0.000 2.499 192 L HA 0.299 4.639 4.340 0.000 0.000 0.273 192 L C 1.507 178.404 176.870 0.046 0.000 1.195 192 L CA 0.894 55.741 54.840 0.012 0.000 0.882 192 L CB 0.070 42.094 42.059 -0.058 0.000 1.133 192 L HN 0.633 nan 8.230 nan 0.000 0.483 193 G N 1.786 110.624 108.800 0.063 0.000 2.241 193 G HA2 -0.062 3.898 3.960 0.000 0.000 0.244 193 G HA3 -0.062 3.898 3.960 0.000 0.000 0.244 193 G C 0.558 175.495 174.900 0.063 0.000 0.998 193 G CA -0.075 45.055 45.100 0.049 0.000 0.621 193 G HN 1.563 nan 8.290 nan 0.000 0.519 194 G N -1.057 107.796 108.800 0.089 0.000 2.675 194 G HA2 0.428 4.388 3.960 0.000 0.000 0.686 194 G HA3 0.428 4.388 3.960 0.000 0.000 0.686 194 G C -0.930 174.076 174.900 0.177 0.000 1.215 194 G CA 0.438 45.608 45.100 0.117 0.000 0.777 194 G HN 2.065 nan 8.290 nan 0.000 0.638 195 H N 2.834 121.981 119.070 0.128 0.000 3.087 195 H HA 0.468 5.024 4.556 0.000 0.000 0.348 195 H C -1.916 173.567 175.328 0.259 0.000 1.092 195 H CA -0.914 55.248 56.048 0.189 0.000 1.285 195 H CB 2.509 32.423 29.762 0.253 0.000 1.875 195 H HN 0.319 nan 8.280 nan 0.000 0.512 196 P HA -0.023 nan 4.420 nan 0.000 0.222 196 P C 0.782 178.400 177.300 0.529 0.000 1.147 196 P CA 1.092 64.397 63.100 0.341 0.000 0.790 196 P CB 0.171 31.976 31.700 0.175 0.000 0.780 197 A N -1.986 121.244 122.820 0.683 0.000 2.275 197 A HA 0.089 4.409 4.320 0.000 0.000 0.212 197 A C 0.181 177.741 177.584 -0.041 0.000 1.201 197 A CA -0.144 52.091 52.037 0.331 0.000 0.843 197 A CB -0.782 18.361 19.000 0.237 0.000 0.873 197 A HN 0.076 nan 8.150 nan 0.000 0.492 198 Y N -0.671 119.724 120.300 0.159 0.000 2.341 198 Y HA 0.389 4.939 4.550 0.000 0.000 0.340 198 Y C 0.464 176.524 175.900 0.266 0.000 0.997 198 Y CA -0.174 58.005 58.100 0.131 0.000 1.149 198 Y CB 0.748 39.294 38.460 0.142 0.000 1.171 198 Y HN 0.300 nan 8.280 nan 0.000 0.494 199 Y N 0.994 121.419 120.300 0.208 0.000 2.430 199 Y HA 0.204 4.754 4.550 0.000 0.000 0.248 199 Y C 0.220 176.100 175.900 -0.033 0.000 1.108 199 Y CA -0.739 57.342 58.100 -0.032 0.000 1.264 199 Y CB 0.025 38.254 38.460 -0.386 0.000 1.172 199 Y HN 0.365 nan 8.280 nan 0.000 0.520 200 L N 2.133 123.472 121.223 0.194 0.000 2.439 200 L HA 0.120 4.460 4.340 0.000 0.000 0.269 200 L C 0.431 177.348 176.870 0.080 0.000 1.179 200 L CA -0.454 54.455 54.840 0.115 0.000 0.828 200 L CB 0.027 42.165 42.059 0.132 0.000 1.106 200 L HN 0.229 nan 8.230 nan 0.000 0.467 201 D N 2.651 123.077 120.400 0.042 0.000 2.377 201 D HA 0.181 4.821 4.640 0.000 0.000 0.245 201 D C -2.128 174.176 176.300 0.007 0.000 1.196 201 D CA -1.703 52.311 54.000 0.024 0.000 0.962 201 D CB 0.041 40.848 40.800 0.011 0.000 1.127 201 D HN 0.243 nan 8.370 nan 0.000 0.471 202 P HA -0.125 nan 4.420 nan 0.000 0.216 202 P C 0.861 178.141 177.300 -0.033 0.000 1.150 202 P CA 1.401 64.486 63.100 -0.024 0.000 0.837 202 P CB 0.179 31.867 31.700 -0.020 0.000 0.786 203 E N -1.339 118.848 120.200 -0.022 0.000 2.072 203 E HA -0.095 4.255 4.350 0.000 0.000 0.190 203 E C 1.971 178.551 176.600 -0.032 0.000 0.982 203 E CA 1.432 57.815 56.400 -0.028 0.000 0.803 203 E CB -1.324 28.365 29.700 -0.018 0.000 0.755 203 E HN 0.191 nan 8.360 nan 0.000 0.453 204 T N 0.445 114.990 114.554 -0.016 0.000 2.821 204 T HA -0.109 4.241 4.350 0.000 0.000 0.267 204 T C 1.476 176.165 174.700 -0.020 0.000 1.046 204 T CA 1.383 63.479 62.100 -0.007 0.000 1.139 204 T CB -0.399 68.481 68.868 0.020 0.000 0.871 204 T HN 0.205 nan 8.240 nan 0.000 0.454 205 N N 0.813 119.493 118.700 -0.033 0.000 2.149 205 N HA -0.070 4.670 4.740 0.000 0.000 0.188 205 N C 1.682 177.128 175.510 -0.106 0.000 1.019 205 N CA 0.719 53.723 53.050 -0.077 0.000 0.857 205 N CB -0.232 38.188 38.487 -0.112 0.000 0.997 205 N HN 0.147 nan 8.380 nan 0.000 0.426 206 L N 1.028 122.194 121.223 -0.096 0.000 2.056 206 L HA 0.016 4.356 4.340 0.000 0.000 0.207 206 L C 1.684 178.474 176.870 -0.134 0.000 1.078 206 L CA 1.327 56.103 54.840 -0.106 0.000 0.749 206 L CB -0.364 41.647 42.059 -0.081 0.000 0.901 206 L HN 0.192 nan 8.230 nan 0.000 0.433 207 I N -0.216 120.268 120.570 -0.144 0.000 2.179 207 I HA -0.299 3.871 4.170 0.000 0.000 0.242 207 I C 2.585 178.496 176.117 -0.344 0.000 1.088 207 I CA 1.287 62.419 61.300 -0.281 0.000 1.357 207 I CB -0.671 37.221 38.000 -0.180 0.000 1.051 207 I HN 0.358 nan 8.210 nan 0.000 0.409 208 A N 0.116 122.878 122.820 -0.097 0.000 1.930 208 A HA -0.180 4.140 4.320 0.000 0.000 0.217 208 A C 2.378 180.019 177.584 0.095 0.000 1.175 208 A CA 2.313 54.397 52.037 0.079 0.000 0.627 208 A CB -1.006 18.046 19.000 0.086 0.000 0.815 208 A HN 0.384 nan 8.150 nan 0.000 0.443 209 T N 0.226 114.757 114.554 -0.038 0.000 2.777 209 T HA 0.025 4.375 4.350 0.000 0.000 0.266 209 T C 2.249 176.967 174.700 0.030 0.000 1.040 209 T CA 1.408 63.476 62.100 -0.054 0.000 1.141 209 T CB -0.432 68.331 68.868 -0.176 0.000 0.868 209 T HN 0.588 nan 8.240 nan 0.000 0.444 210 A N 1.596 124.389 122.820 -0.046 0.000 1.908 210 A HA -0.215 4.105 4.320 0.000 0.000 0.218 210 A C 2.066 179.729 177.584 0.132 0.000 1.181 210 A CA 1.709 53.744 52.037 -0.003 0.000 0.627 210 A CB -0.802 18.139 19.000 -0.098 0.000 0.818 210 A HN 0.514 nan 8.150 nan 0.000 0.445 211 H N -2.700 116.421 119.070 0.085 0.000 2.436 211 H HA -0.050 4.506 4.556 0.000 0.000 0.294 211 H C 1.785 177.001 175.328 -0.186 0.000 1.048 211 H CA 1.041 57.088 56.048 -0.002 0.000 1.353 211 H CB -0.777 29.018 29.762 0.055 0.000 1.414 211 H HN 0.740 nan 8.280 nan 0.000 0.536 212 Y N 0.913 121.204 120.300 -0.015 0.000 2.097 212 Y HA -0.247 4.303 4.550 0.000 0.000 0.282 212 Y C 2.059 178.023 175.900 0.107 0.000 1.152 212 Y CA 1.118 59.242 58.100 0.040 0.000 1.136 212 Y CB -0.287 38.283 38.460 0.184 0.000 0.975 212 Y HN 0.030 nan 8.280 nan 0.000 0.498 213 L N 0.984 122.414 121.223 0.344 0.000 2.046 213 L HA -0.193 4.147 4.340 0.000 0.000 0.208 213 L C 2.472 179.376 176.870 0.056 0.000 1.077 213 L CA 2.043 56.998 54.840 0.191 0.000 0.747 213 L CB -1.383 40.767 42.059 0.153 0.000 0.896 213 L HN 0.417 nan 8.230 nan 0.000 0.432 214 E N -0.681 119.557 120.200 0.064 0.000 2.077 214 E HA -0.227 4.123 4.350 0.000 0.000 0.193 214 E C 2.141 178.654 176.600 -0.146 0.000 0.989 214 E CA 1.151 57.562 56.400 0.018 0.000 0.800 214 E CB 0.031 29.825 29.700 0.156 0.000 0.746 214 E HN 0.456 nan 8.360 nan 0.000 0.452 215 A N 0.769 123.464 122.820 -0.209 0.000 2.019 215 A HA -0.130 4.190 4.320 0.000 0.000 0.219 215 A C 2.121 179.614 177.584 -0.153 0.000 1.164 215 A CA 0.830 52.634 52.037 -0.387 0.000 0.644 215 A CB -0.512 18.209 19.000 -0.465 0.000 0.805 215 A HN 0.297 nan 8.150 nan 0.000 0.449 216 L N -1.266 119.892 121.223 -0.108 0.000 2.083 216 L HA -0.188 4.152 4.340 0.000 0.000 0.209 216 L C 2.864 179.633 176.870 -0.169 0.000 1.083 216 L CA 1.439 56.141 54.840 -0.230 0.000 0.752 216 L CB -0.368 41.532 42.059 -0.265 0.000 0.899 216 L HN 0.371 nan 8.230 nan 0.000 0.433 217 R N -0.639 119.771 120.500 -0.150 0.000 2.100 217 R HA -0.059 4.281 4.340 0.000 0.000 0.220 217 R C 2.206 178.403 176.300 -0.173 0.000 1.091 217 R CA 0.643 56.663 56.100 -0.133 0.000 0.986 217 R CB -0.282 29.958 30.300 -0.100 0.000 0.888 217 R HN 0.181 nan 8.270 nan 0.000 0.444 218 L N 1.983 123.035 121.223 -0.286 0.000 2.079 218 L HA -0.231 4.109 4.340 0.000 0.000 0.210 218 L C 2.178 178.900 176.870 -0.247 0.000 1.081 218 L CA 1.762 56.381 54.840 -0.369 0.000 0.752 218 L CB -0.216 41.339 42.059 -0.841 0.000 0.896 218 L HN 0.123 nan 8.230 nan 0.000 0.433 219 Q N -1.420 118.266 119.800 -0.191 0.000 2.291 219 Q HA -0.104 4.236 4.340 0.000 0.000 0.205 219 Q C 1.809 177.856 176.000 0.079 0.000 0.970 219 Q CA 1.872 57.671 55.803 -0.008 0.000 0.876 219 Q CB -1.236 27.487 28.738 -0.026 0.000 0.935 219 Q HN 0.348 nan 8.270 nan 0.000 0.455 220 V N 1.110 121.009 119.914 -0.024 0.000 2.332 220 V HA -0.295 3.825 4.120 0.000 0.000 0.248 220 V C 2.146 178.206 176.094 -0.056 0.000 1.055 220 V CA 2.328 64.605 62.300 -0.039 0.000 1.038 220 V CB -0.538 31.248 31.823 -0.062 0.000 0.651 220 V HN 0.413 nan 8.190 nan 0.000 0.450 221 K N 0.130 120.488 120.400 -0.070 0.000 2.057 221 K HA -0.060 4.260 4.320 0.000 0.000 0.206 221 K C 2.317 178.873 176.600 -0.074 0.000 1.050 221 K CA 1.342 57.580 56.287 -0.082 0.000 0.935 221 K CB -0.421 32.020 32.500 -0.098 0.000 0.715 221 K HN 0.467 nan 8.250 nan 0.000 0.439 222 A N 1.474 124.279 122.820 -0.024 0.000 1.933 222 A HA -0.129 4.191 4.320 0.000 0.000 0.218 222 A C 2.338 179.920 177.584 -0.004 0.000 1.175 222 A CA 1.907 53.962 52.037 0.031 0.000 0.628 222 A CB -0.634 18.450 19.000 0.141 0.000 0.814 222 A HN 0.335 nan 8.150 nan 0.000 0.444 223 A N -0.516 122.259 122.820 -0.075 0.000 1.929 223 A HA -0.076 4.244 4.320 0.000 0.000 0.216 223 A C 2.205 179.688 177.584 -0.169 0.000 1.176 223 A CA 1.435 53.305 52.037 -0.277 0.000 0.628 223 A CB -0.458 18.267 19.000 -0.460 0.000 0.816 223 A HN 0.543 nan 8.150 nan 0.000 0.444 224 R N -0.104 120.320 120.500 -0.126 0.000 2.127 224 R HA -0.129 4.211 4.340 0.000 0.000 0.238 224 R C 2.173 178.397 176.300 -0.127 0.000 1.134 224 R CA 1.392 57.424 56.100 -0.113 0.000 0.975 224 R CB -0.399 29.844 30.300 -0.095 0.000 0.865 224 R HN 0.428 nan 8.270 nan 0.000 0.447 225 A N 0.876 123.610 122.820 -0.143 0.000 1.940 225 A HA -0.201 4.119 4.320 0.000 0.000 0.219 225 A C 2.164 179.699 177.584 -0.082 0.000 1.176 225 A CA 1.744 53.671 52.037 -0.183 0.000 0.631 225 A CB -0.431 18.379 19.000 -0.316 0.000 0.814 225 A HN 0.389 nan 8.150 nan 0.000 0.446 226 M N -0.797 118.749 119.600 -0.090 0.000 2.229 226 M HA -0.090 4.390 4.480 0.000 0.000 0.264 226 M C 2.359 178.536 176.300 -0.205 0.000 1.063 226 M CA 1.286 56.505 55.300 -0.135 0.000 1.114 226 M CB -0.265 32.260 32.600 -0.125 0.000 1.387 226 M HN 0.462 nan 8.290 nan 0.000 0.420 227 A N -0.328 122.400 122.820 -0.154 0.000 2.119 227 A HA 0.002 4.322 4.320 0.000 0.000 0.216 227 A C 2.177 179.684 177.584 -0.128 0.000 1.152 227 A CA 0.689 52.651 52.037 -0.125 0.000 0.708 227 A CB -0.687 18.263 19.000 -0.083 0.000 0.805 227 A HN 0.269 nan 8.150 nan 0.000 0.460 228 V N -0.914 118.895 119.914 -0.174 0.000 2.282 228 V HA -0.265 3.855 4.120 0.000 0.000 0.249 228 V C 2.187 178.219 176.094 -0.104 0.000 1.057 228 V CA 2.274 64.465 62.300 -0.182 0.000 1.032 228 V CB -0.886 30.751 31.823 -0.310 0.000 0.645 228 V HN 0.604 nan 8.190 nan 0.000 0.447 229 F N 0.475 120.309 119.950 -0.194 0.000 2.530 229 F HA 0.327 4.855 4.527 0.000 0.000 0.292 229 F C 2.154 177.641 175.800 -0.522 0.000 1.109 229 F CA 0.486 58.278 58.000 -0.346 0.000 1.450 229 F CB -1.058 37.637 39.000 -0.508 0.000 1.114 229 F HN 0.188 nan 8.300 nan 0.000 0.560 230 G N -1.387 107.150 108.800 -0.438 0.000 3.337 230 G HA2 0.433 4.393 3.960 0.000 0.000 0.246 230 G HA3 0.433 4.393 3.960 0.000 0.000 0.246 230 G C 1.211 176.079 174.900 -0.054 0.000 1.131 230 G CA 0.548 45.296 45.100 -0.586 0.000 0.773 230 G HN 0.398 nan 8.290 nan 0.000 0.544 231 A N -0.274 122.534 122.820 -0.019 0.000 2.097 231 A HA -0.159 4.161 4.320 0.000 0.000 0.229 231 A C 0.786 178.382 177.584 0.020 0.000 0.571 231 A CA 1.844 53.907 52.037 0.044 0.000 1.156 231 A CB -1.632 17.434 19.000 0.110 0.000 1.413 231 A HN 1.376 nan 8.150 nan 0.000 0.705 232 K N -0.729 119.682 120.400 0.018 0.000 2.625 232 K HA 0.614 4.934 4.320 0.000 0.000 0.284 232 K C -1.141 175.459 176.600 0.000 0.000 0.984 232 K CA -0.093 56.199 56.287 0.008 0.000 0.865 232 K CB 0.931 33.451 32.500 0.032 0.000 1.468 232 K HN 0.827 nan 8.250 nan 0.000 0.407 233 N N 1.316 119.994 118.700 -0.037 0.000 2.310 233 N HA 0.487 5.227 4.740 0.000 0.000 0.292 233 N C -2.736 172.724 175.510 -0.083 0.000 1.049 233 N CA -1.119 51.894 53.050 -0.062 0.000 0.849 233 N CB 1.888 40.302 38.487 -0.123 0.000 1.532 233 N HN 0.499 nan 8.380 nan 0.000 0.479 234 P HA 0.277 nan 4.420 nan 0.000 0.276 234 P C -1.322 175.963 177.300 -0.026 0.000 1.252 234 P CA 0.226 63.244 63.100 -0.136 0.000 0.802 234 P CB 0.301 31.800 31.700 -0.336 0.000 1.035 235 H N -2.092 117.028 119.070 0.084 0.000 3.398 235 H HA -0.089 4.467 4.556 0.000 0.000 0.352 235 H C 0.093 175.505 175.328 0.141 0.000 1.083 235 H CA -0.102 56.017 56.048 0.118 0.000 1.109 235 H CB -1.373 28.440 29.762 0.086 0.000 1.546 235 H HN 0.597 nan 8.280 nan 0.000 0.385 236 T N 0.182 114.932 114.554 0.327 0.000 2.748 236 T HA 0.183 4.533 4.350 0.000 0.000 0.304 236 T C 0.665 175.566 174.700 0.337 0.000 1.041 236 T CA -0.357 61.932 62.100 0.315 0.000 1.033 236 T CB 2.102 71.209 68.868 0.398 0.000 0.995 236 T HN 0.648 nan 8.240 nan 0.000 0.536 237 Q N 0.573 120.599 119.800 0.376 0.000 3.712 237 Q HA 0.370 4.710 4.340 0.000 0.000 0.242 237 Q C -0.850 175.356 176.000 0.343 0.000 0.837 237 Q CA -0.538 55.442 55.803 0.295 0.000 0.826 237 Q CB 0.114 28.974 28.738 0.204 0.000 1.529 237 Q HN 0.865 nan 8.270 nan 0.000 0.405 238 F N -2.164 117.849 119.950 0.105 0.000 2.974 238 F HA 0.379 4.906 4.527 0.000 0.000 0.357 238 F C 0.064 175.906 175.800 0.069 0.000 1.114 238 F CA -0.378 57.666 58.000 0.072 0.000 1.099 238 F CB 0.414 39.437 39.000 0.038 0.000 1.205 238 F HN 0.004 nan 8.300 nan 0.000 0.535 239 T N 1.558 115.774 114.554 -0.564 0.000 2.907 239 T HA 0.727 5.077 4.350 0.000 0.000 0.284 239 T C -0.285 174.307 174.700 -0.180 0.000 1.004 239 T CA -0.227 61.578 62.100 -0.492 0.000 1.063 239 T CB 2.096 70.640 68.868 -0.540 0.000 0.992 239 T HN 0.541 nan 8.240 nan 0.000 0.483 240 V N -0.819 119.020 119.914 -0.125 0.000 3.159 240 V HA 0.704 4.824 4.120 0.000 0.000 0.308 240 V C -0.050 175.985 176.094 -0.100 0.000 1.190 240 V CA -1.461 60.821 62.300 -0.030 0.000 1.037 240 V CB 1.401 33.274 31.823 0.083 0.000 1.060 240 V HN 0.814 nan 8.190 nan 0.000 0.437 241 V N 2.473 122.300 119.914 -0.145 0.000 2.617 241 V HA 0.441 4.561 4.120 0.000 0.000 0.304 241 V C 1.733 177.636 176.094 -0.319 0.000 1.040 241 V CA 1.880 63.916 62.300 -0.440 0.000 1.149 241 V CB -0.117 31.104 31.823 -1.003 0.000 0.914 241 V HN 1.995 nan 8.190 nan 0.000 0.487 242 G N 2.730 111.351 108.800 -0.298 0.000 2.217 242 G HA2 0.077 4.037 3.960 0.000 0.000 0.246 242 G HA3 0.077 4.037 3.960 0.000 0.000 0.246 242 G C 0.674 175.585 174.900 0.018 0.000 0.990 242 G CA 0.092 45.173 45.100 -0.032 0.000 0.627 242 G HN 1.967 nan 8.290 nan 0.000 0.522 243 G N -1.934 106.847 108.800 -0.032 0.000 2.553 243 G HA2 0.593 4.553 3.960 0.000 0.000 0.106 243 G HA3 0.593 4.553 3.960 0.000 0.000 0.106 243 G C -0.328 174.534 174.900 -0.064 0.000 1.126 243 G CA 1.164 46.245 45.100 -0.031 0.000 1.075 243 G HN 1.939 nan 8.290 nan 0.000 0.472 244 V N -2.517 117.367 119.914 -0.051 0.000 3.160 244 V HA 0.869 4.989 4.120 0.000 0.000 0.310 244 V C 0.889 176.949 176.094 -0.056 0.000 1.181 244 V CA 0.747 63.023 62.300 -0.041 0.000 1.047 244 V CB 1.287 33.154 31.823 0.073 0.000 1.068 244 V HN 1.730 nan 8.190 nan 0.000 0.441 245 T N -2.761 111.798 114.554 0.009 0.000 3.001 245 T HA 0.066 4.416 4.350 0.000 0.000 0.251 245 T C 0.790 175.454 174.700 -0.059 0.000 1.040 245 T CA 0.789 62.887 62.100 -0.003 0.000 0.985 245 T CB -0.744 68.190 68.868 0.110 0.000 1.011 245 T HN 1.431 nan 8.240 nan 0.000 0.509 246 C N 2.013 121.292 119.300 -0.036 0.000 2.400 246 C HA 0.539 4.999 4.460 0.000 0.000 0.457 246 C C 1.354 176.302 174.990 -0.070 0.000 1.020 246 C CA -1.610 57.420 59.018 0.020 0.000 1.258 246 C CB -2.664 25.122 27.740 0.076 0.000 1.532 246 C HN 0.409 nan 8.230 nan 0.000 0.537 247 Y N 0.409 120.750 120.300 0.068 0.000 2.315 247 Y HA -0.166 4.384 4.550 0.000 0.000 0.288 247 Y C 2.246 178.172 175.900 0.043 0.000 1.154 247 Y CA 2.071 60.200 58.100 0.049 0.000 1.229 247 Y CB -0.221 38.266 38.460 0.046 0.000 0.980 247 Y HN 0.566 nan 8.280 nan 0.000 0.540 248 D N -0.237 120.271 120.400 0.181 0.000 2.263 248 D HA -0.116 4.524 4.640 0.000 0.000 0.208 248 D C 2.042 178.413 176.300 0.118 0.000 0.971 248 D CA 0.921 55.004 54.000 0.137 0.000 0.867 248 D CB -0.148 40.730 40.800 0.130 0.000 0.929 248 D HN 0.291 nan 8.370 nan 0.000 0.492 249 A N -0.302 122.556 122.820 0.065 0.000 2.172 249 A HA -0.059 4.261 4.320 0.000 0.000 0.216 249 A C 1.750 179.307 177.584 -0.045 0.000 1.154 249 A CA 0.474 52.485 52.037 -0.043 0.000 0.701 249 A CB -0.298 18.460 19.000 -0.404 0.000 0.789 249 A HN 0.235 nan 8.150 nan 0.000 0.465 250 L N 0.368 121.598 121.223 0.011 0.000 2.478 250 L HA 0.030 4.370 4.340 0.000 0.000 0.223 250 L C 1.609 178.461 176.870 -0.030 0.000 1.140 250 L CA 1.374 56.200 54.840 -0.023 0.000 0.842 250 L CB -1.086 40.990 42.059 0.028 0.000 0.953 250 L HN 0.527 nan 8.230 nan 0.000 0.452 251 T N -3.794 110.781 114.554 0.034 0.000 2.899 251 T HA 0.206 4.556 4.350 0.000 0.000 0.295 251 T C -1.560 173.160 174.700 0.033 0.000 1.033 251 T CA -1.574 60.546 62.100 0.034 0.000 1.084 251 T CB 1.160 70.064 68.868 0.059 0.000 0.979 251 T HN -0.099 nan 8.240 nan 0.000 0.532 252 P HA -0.086 nan 4.420 nan 0.000 0.218 252 P C 1.456 178.790 177.300 0.056 0.000 1.148 252 P CA 1.005 64.117 63.100 0.019 0.000 0.822 252 P CB 0.072 31.775 31.700 0.006 0.000 0.784 253 Q N -0.802 119.034 119.800 0.060 0.000 2.050 253 Q HA -0.107 4.234 4.340 0.000 0.000 0.202 253 Q C 2.386 178.445 176.000 0.099 0.000 0.980 253 Q CA 1.419 57.262 55.803 0.067 0.000 0.840 253 Q CB -0.517 28.253 28.738 0.054 0.000 0.898 253 Q HN 0.078 nan 8.270 nan 0.000 0.424 254 R N 0.200 120.782 120.500 0.136 0.000 2.075 254 R HA -0.012 4.328 4.340 0.000 0.000 0.232 254 R C 2.255 178.730 176.300 0.292 0.000 1.126 254 R CA 1.082 57.305 56.100 0.205 0.000 0.963 254 R CB -0.664 29.801 30.300 0.276 0.000 0.858 254 R HN 0.365 nan 8.270 nan 0.000 0.435 255 I N 0.621 121.375 120.570 0.306 0.000 2.226 255 I HA -0.255 3.915 4.170 0.000 0.000 0.245 255 I C 2.454 178.727 176.117 0.260 0.000 1.100 255 I CA 1.376 62.885 61.300 0.348 0.000 1.374 255 I CB -0.409 37.706 38.000 0.192 0.000 1.057 255 I HN 0.081 nan 8.210 nan 0.000 0.413 256 A N 0.105 123.023 122.820 0.163 0.000 1.933 256 A HA -0.255 4.065 4.320 0.000 0.000 0.218 256 A C 2.332 179.984 177.584 0.114 0.000 1.175 256 A CA 1.833 53.944 52.037 0.124 0.000 0.628 256 A CB -0.578 18.469 19.000 0.078 0.000 0.814 256 A HN 0.505 nan 8.150 nan 0.000 0.444 257 E N -1.229 119.033 120.200 0.102 0.000 2.047 257 E HA -0.194 4.156 4.350 0.000 0.000 0.191 257 E C 1.793 178.411 176.600 0.030 0.000 0.987 257 E CA 1.227 57.657 56.400 0.050 0.000 0.799 257 E CB -0.270 29.450 29.700 0.033 0.000 0.752 257 E HN 0.592 nan 8.360 nan 0.000 0.449 258 F N 1.985 121.868 119.950 -0.112 0.000 2.069 258 F HA -0.229 4.298 4.527 0.000 0.000 0.298 258 F C 2.315 178.128 175.800 0.021 0.000 1.113 258 F CA 2.282 60.171 58.000 -0.185 0.000 1.214 258 F CB -0.219 38.517 39.000 -0.441 0.000 0.978 258 F HN 0.069 nan 8.300 nan 0.000 0.474 259 E N 0.066 120.411 120.200 0.241 0.000 2.085 259 E HA -0.227 4.123 4.350 0.000 0.000 0.194 259 E C 2.214 178.929 176.600 0.191 0.000 0.994 259 E CA 1.098 57.676 56.400 0.296 0.000 0.801 259 E CB -0.342 29.532 29.700 0.290 0.000 0.743 259 E HN 0.492 nan 8.360 nan 0.000 0.453 260 A N 0.710 123.571 122.820 0.069 0.000 1.930 260 A HA -0.123 4.197 4.320 0.000 0.000 0.217 260 A C 2.161 179.701 177.584 -0.073 0.000 1.175 260 A CA 1.041 53.076 52.037 -0.003 0.000 0.627 260 A CB -0.548 18.448 19.000 -0.007 0.000 0.815 260 A HN 0.297 nan 8.150 nan 0.000 0.443 261 L N -2.358 118.796 121.223 -0.115 0.000 2.056 261 L HA -0.175 4.165 4.340 0.000 0.000 0.207 261 L C 2.511 179.273 176.870 -0.180 0.000 1.078 261 L CA 1.561 56.303 54.840 -0.163 0.000 0.749 261 L CB -0.555 41.378 42.059 -0.211 0.000 0.901 261 L HN 0.787 nan 8.230 nan 0.000 0.433 262 W N 1.569 122.605 121.300 -0.440 0.000 2.335 262 W HA -0.226 4.434 4.660 0.000 0.000 0.311 262 W C 2.424 178.841 176.519 -0.170 0.000 1.213 262 W CA 1.479 58.602 57.345 -0.369 0.000 1.274 262 W CB -0.157 29.001 29.460 -0.502 0.000 1.148 262 W HN -0.111 nan 8.180 nan 0.000 0.498 263 K N 0.010 120.070 120.400 -0.566 0.000 2.063 263 K HA -0.265 4.055 4.320 0.000 0.000 0.208 263 K C 2.086 178.396 176.600 -0.483 0.000 1.048 263 K CA 1.990 57.794 56.287 -0.804 0.000 0.928 263 K CB -0.463 31.795 32.500 -0.404 0.000 0.713 263 K HN 0.331 nan 8.250 nan 0.000 0.442 264 E N 0.053 120.084 120.200 -0.282 0.000 2.106 264 E HA -0.142 4.208 4.350 0.000 0.000 0.192 264 E C 1.590 178.113 176.600 -0.129 0.000 0.984 264 E CA 1.393 57.693 56.400 -0.167 0.000 0.806 264 E CB 0.183 29.813 29.700 -0.116 0.000 0.750 264 E HN 0.174 nan 8.360 nan 0.000 0.458 265 T N 0.755 115.214 114.554 -0.158 0.000 2.777 265 T HA -0.156 4.194 4.350 0.000 0.000 0.266 265 T C 1.773 176.455 174.700 -0.029 0.000 1.040 265 T CA 1.452 63.518 62.100 -0.056 0.000 1.141 265 T CB -0.165 68.683 68.868 -0.035 0.000 0.868 265 T HN 0.152 nan 8.240 nan 0.000 0.444 266 K N 1.073 121.329 120.400 -0.240 0.000 2.097 266 K HA -0.016 4.304 4.320 0.000 0.000 0.206 266 K C 2.455 178.977 176.600 -0.129 0.000 1.049 266 K CA 1.144 57.303 56.287 -0.213 0.000 0.933 266 K CB -0.288 31.901 32.500 -0.519 0.000 0.717 266 K HN 0.272 nan 8.250 nan 0.000 0.442 267 A N 0.678 123.405 122.820 -0.156 0.000 1.902 267 A HA -0.166 4.154 4.320 0.000 0.000 0.217 267 A C 1.985 179.554 177.584 -0.025 0.000 1.181 267 A CA 1.319 53.297 52.037 -0.097 0.000 0.623 267 A CB -0.798 18.141 19.000 -0.102 0.000 0.818 267 A HN 0.520 nan 8.150 nan 0.000 0.443 268 F N 0.512 120.408 119.950 -0.091 0.000 2.134 268 F HA -0.148 4.379 4.527 0.000 0.000 0.299 268 F C 2.254 178.067 175.800 0.022 0.000 1.097 268 F CA 1.849 59.820 58.000 -0.049 0.000 1.264 268 F CB -0.150 38.822 39.000 -0.046 0.000 1.001 268 F HN 0.038 nan 8.300 nan 0.000 0.479 269 V N 0.416 120.443 119.914 0.188 0.000 2.287 269 V HA -0.333 3.787 4.120 0.000 0.000 0.248 269 V C 1.978 178.047 176.094 -0.042 0.000 1.053 269 V CA 2.365 64.768 62.300 0.171 0.000 1.027 269 V CB -0.648 31.293 31.823 0.196 0.000 0.646 269 V HN 0.299 nan 8.190 nan 0.000 0.447 270 D N -0.584 119.774 120.400 -0.070 0.000 2.183 270 D HA -0.086 4.555 4.640 0.000 0.000 0.203 270 D C 2.155 178.369 176.300 -0.143 0.000 0.969 270 D CA 1.046 54.983 54.000 -0.105 0.000 0.842 270 D CB -0.010 40.740 40.800 -0.084 0.000 0.957 270 D HN 0.580 nan 8.370 nan 0.000 0.484 271 E N -0.612 119.481 120.200 -0.179 0.000 2.431 271 E HA 0.071 4.421 4.350 0.000 0.000 0.200 271 E C 1.435 177.859 176.600 -0.295 0.000 0.995 271 E CA 0.056 56.339 56.400 -0.195 0.000 0.915 271 E CB 1.252 30.854 29.700 -0.164 0.000 0.930 271 E HN 0.046 nan 8.360 nan 0.000 0.496 272 V N -0.309 119.327 119.914 -0.464 0.000 3.134 272 V HA -0.069 4.051 4.120 0.000 0.000 0.222 272 V C 1.570 177.476 176.094 -0.314 0.000 1.247 272 V CA 0.289 62.194 62.300 -0.658 0.000 1.281 272 V CB -0.573 30.407 31.823 -1.406 0.000 1.169 272 V HN 0.158 nan 8.190 nan 0.000 0.512 273 Y N 1.682 121.715 120.300 -0.445 0.000 2.089 273 Y HA -0.164 4.386 4.550 0.000 0.000 0.282 273 Y C 2.331 178.050 175.900 -0.301 0.000 1.139 273 Y CA 1.624 59.617 58.100 -0.179 0.000 1.123 273 Y CB -0.505 37.935 38.460 -0.033 0.000 0.980 273 Y HN 0.113 nan 8.280 nan 0.000 0.493 274 I N 0.935 121.278 120.570 -0.378 0.000 2.226 274 I HA -0.170 4.000 4.170 0.000 0.000 0.245 274 I C -0.464 175.479 176.117 -0.289 0.000 1.100 274 I CA 1.147 62.159 61.300 -0.481 0.000 1.374 274 I CB -2.706 35.064 38.000 -0.383 0.000 1.057 274 I HN 0.176 nan 8.210 nan 0.000 0.413 275 P HA -0.112 nan 4.420 nan 0.000 0.217 275 P C 1.156 178.422 177.300 -0.056 0.000 1.150 275 P CA 1.354 64.390 63.100 -0.106 0.000 0.832 275 P CB 0.062 31.717 31.700 -0.075 0.000 0.787 276 D N -0.906 119.492 120.400 -0.004 0.000 2.117 276 D HA -0.120 4.520 4.640 0.000 0.000 0.198 276 D C 1.960 178.260 176.300 0.000 0.000 0.982 276 D CA 0.759 54.824 54.000 0.109 0.000 0.828 276 D CB -0.909 40.102 40.800 0.353 0.000 0.967 276 D HN 0.070 nan 8.370 nan 0.000 0.464 277 L N 0.150 121.210 121.223 -0.273 0.000 2.012 277 L HA -0.212 4.128 4.340 0.000 0.000 0.210 277 L C 1.973 178.720 176.870 -0.205 0.000 1.073 277 L CA 1.113 55.702 54.840 -0.418 0.000 0.748 277 L CB -0.098 41.546 42.059 -0.692 0.000 0.891 277 L HN 0.072 nan 8.230 nan 0.000 0.431 278 L N -1.146 119.972 121.223 -0.176 0.000 2.093 278 L HA -0.146 4.194 4.340 0.000 0.000 0.208 278 L C 2.423 179.259 176.870 -0.057 0.000 1.085 278 L CA 1.155 55.926 54.840 -0.116 0.000 0.755 278 L CB -1.084 40.908 42.059 -0.112 0.000 0.904 278 L HN 0.039 nan 8.230 nan 0.000 0.435 279 V N -1.135 118.762 119.914 -0.029 0.000 2.358 279 V HA -0.216 3.904 4.120 0.000 0.000 0.246 279 V C 2.410 178.521 176.094 0.028 0.000 1.047 279 V CA 1.237 63.541 62.300 0.006 0.000 1.035 279 V CB 0.183 32.022 31.823 0.027 0.000 0.658 279 V HN 0.211 nan 8.190 nan 0.000 0.452 280 V N 0.149 120.081 119.914 0.030 0.000 2.358 280 V HA -0.198 3.922 4.120 0.000 0.000 0.246 280 V C 2.679 178.808 176.094 0.058 0.000 1.047 280 V CA 1.879 64.208 62.300 0.049 0.000 1.035 280 V CB -1.075 30.710 31.823 -0.063 0.000 0.658 280 V HN 0.585 nan 8.190 nan 0.000 0.452 281 A N 0.113 122.912 122.820 -0.036 0.000 1.933 281 A HA -0.119 4.201 4.320 0.000 0.000 0.218 281 A C 2.428 180.055 177.584 0.072 0.000 1.175 281 A CA 2.027 54.062 52.037 -0.003 0.000 0.628 281 A CB -0.744 18.219 19.000 -0.061 0.000 0.814 281 A HN 0.567 nan 8.150 nan 0.000 0.444 282 A N -0.212 122.630 122.820 0.037 0.000 1.933 282 A HA 0.156 4.476 4.320 0.000 0.000 0.218 282 A C 2.410 180.027 177.584 0.054 0.000 1.175 282 A CA 1.999 54.056 52.037 0.034 0.000 0.628 282 A CB -0.843 18.161 19.000 0.007 0.000 0.814 282 A HN 1.081 nan 8.150 nan 0.000 0.444 283 A N -2.441 120.417 122.820 0.063 0.000 2.067 283 A HA 0.136 4.456 4.320 0.000 0.000 0.217 283 A C 1.160 178.736 177.584 -0.015 0.000 1.156 283 A CA 0.743 52.776 52.037 -0.007 0.000 0.683 283 A CB -0.398 18.571 19.000 -0.052 0.000 0.808 283 A HN 0.556 nan 8.150 nan 0.000 0.455 284 Y N -0.651 119.790 120.300 0.234 0.000 2.736 284 Y HA 0.265 4.815 4.550 0.000 0.000 0.293 284 Y C 1.358 177.479 175.900 0.368 0.000 1.062 284 Y CA -0.407 57.931 58.100 0.397 0.000 1.247 284 Y CB 0.326 38.940 38.460 0.257 0.000 1.200 284 Y HN 0.147 nan 8.280 nan 0.000 0.552 285 K N 0.485 121.071 120.400 0.309 0.000 2.442 285 K HA -0.151 4.169 4.320 0.000 0.000 0.198 285 K C 1.379 178.085 176.600 0.176 0.000 1.042 285 K CA 1.349 57.755 56.287 0.199 0.000 0.958 285 K CB 0.085 32.641 32.500 0.092 0.000 0.766 285 K HN 0.522 nan 8.250 nan 0.000 0.474 286 D N -0.444 120.100 120.400 0.240 0.000 2.264 286 D HA -0.199 4.441 4.640 0.000 0.000 0.208 286 D C 0.972 177.185 176.300 -0.144 0.000 0.966 286 D CA 0.716 54.756 54.000 0.067 0.000 0.864 286 D CB -0.531 40.365 40.800 0.160 0.000 0.933 286 D HN 0.261 nan 8.370 nan 0.000 0.499 287 W N 1.924 123.308 121.300 0.140 0.000 2.961 287 W HA 0.044 4.704 4.660 0.000 0.000 0.240 287 W C 1.966 178.486 176.519 0.002 0.000 1.305 287 W CA 1.180 58.605 57.345 0.132 0.000 1.465 287 W CB -0.391 29.239 29.460 0.284 0.000 1.135 287 W HN 0.080 nan 8.180 nan 0.000 0.688 288 T N -3.089 111.490 114.554 0.041 0.000 3.113 288 T HA -0.126 4.224 4.350 0.000 0.000 0.263 288 T C 1.464 176.076 174.700 -0.147 0.000 1.143 288 T CA 0.810 62.898 62.100 -0.020 0.000 1.090 288 T CB 0.046 68.902 68.868 -0.020 0.000 0.922 288 T HN 0.035 nan 8.240 nan 0.000 0.521 289 Q N 0.005 119.539 119.800 -0.444 0.000 2.319 289 Q HA 0.262 4.602 4.340 0.000 0.000 0.209 289 Q C -0.789 174.843 176.000 -0.614 0.000 0.884 289 Q CA 0.254 55.706 55.803 -0.586 0.000 0.938 289 Q CB 0.386 28.622 28.738 -0.837 0.000 1.098 289 Q HN 0.676 nan 8.270 nan 0.000 0.517 290 Y N -1.059 119.191 120.300 -0.084 0.000 2.536 290 Y HA 0.570 5.120 4.550 0.000 0.000 0.347 290 Y C 1.191 177.147 175.900 0.093 0.000 1.000 290 Y CA -1.166 56.892 58.100 -0.068 0.000 1.051 290 Y CB 1.437 39.720 38.460 -0.294 0.000 1.259 290 Y HN 0.080 nan 8.280 nan 0.000 0.468 291 G N 0.076 109.053 108.800 0.295 0.000 2.137 291 G HA2 -0.113 3.847 3.960 0.000 0.000 0.237 291 G HA3 -0.113 3.847 3.960 0.000 0.000 0.237 291 G C 0.335 175.385 174.900 0.251 0.000 1.002 291 G CA -0.121 45.150 45.100 0.286 0.000 0.702 291 G HN 1.182 nan 8.290 nan 0.000 0.515 292 G N -0.673 108.264 108.800 0.229 0.000 2.572 292 G HA2 0.801 4.761 3.960 0.000 0.000 0.261 292 G HA3 0.801 4.761 3.960 0.000 0.000 0.261 292 G C 0.302 175.347 174.900 0.241 0.000 1.197 292 G CA 0.857 46.112 45.100 0.258 0.000 0.870 292 G HN 1.474 nan 8.290 nan 0.000 0.548 293 T N -2.457 112.254 114.554 0.262 0.000 2.865 293 T HA 0.505 4.855 4.350 0.000 0.000 0.294 293 T C -0.277 174.446 174.700 0.039 0.000 1.119 293 T CA -0.720 61.453 62.100 0.120 0.000 1.007 293 T CB 2.420 71.332 68.868 0.072 0.000 1.225 293 T HN 0.236 nan 8.240 nan 0.000 0.515 294 D N 0.179 120.515 120.400 -0.108 0.000 2.431 294 D HA 0.183 4.823 4.640 0.000 0.000 0.235 294 D C -0.025 176.168 176.300 -0.178 0.000 0.980 294 D CA 0.580 54.535 54.000 -0.075 0.000 0.912 294 D CB 0.252 41.034 40.800 -0.031 0.000 1.056 294 D HN 0.499 nan 8.370 nan 0.000 0.494 295 N N 0.093 118.506 118.700 -0.479 0.000 2.240 295 N HA 0.405 5.145 4.740 0.000 0.000 0.302 295 N C -1.151 173.831 175.510 -0.879 0.000 1.106 295 N CA -0.376 52.407 53.050 -0.445 0.000 0.778 295 N CB 2.034 40.428 38.487 -0.155 0.000 1.431 295 N HN -0.137 nan 8.380 nan 0.000 0.479 296 F N 0.619 120.450 119.950 -0.199 0.000 2.569 296 F HA 0.586 5.113 4.527 0.000 0.000 0.312 296 F C -0.110 175.476 175.800 -0.357 0.000 1.109 296 F CA -0.819 57.072 58.000 -0.182 0.000 0.919 296 F CB 2.133 41.120 39.000 -0.021 0.000 1.211 296 F HN 0.229 nan 8.300 nan 0.000 0.446 297 I N 1.445 121.859 120.570 -0.260 0.000 2.686 297 I HA 0.717 4.887 4.170 0.000 0.000 0.295 297 I C -1.175 174.662 176.117 -0.467 0.000 1.114 297 I CA -0.009 61.009 61.300 -0.470 0.000 1.038 297 I CB 2.344 39.886 38.000 -0.764 0.000 1.238 297 I HN 0.640 nan 8.210 nan 0.000 0.420 298 T N 5.336 119.630 114.554 -0.433 0.000 2.932 298 T HA 0.481 4.831 4.350 0.000 0.000 0.318 298 T C -0.193 174.350 174.700 -0.262 0.000 1.265 298 T CA -0.320 61.543 62.100 -0.396 0.000 1.036 298 T CB 0.980 69.719 68.868 -0.215 0.000 1.209 298 T HN 0.476 nan 8.240 nan 0.000 0.484 299 F N 1.744 121.461 119.950 -0.388 0.000 2.704 299 F HA 0.403 4.930 4.527 0.000 0.000 0.304 299 F C 1.647 177.307 175.800 -0.234 0.000 1.094 299 F CA -0.142 57.585 58.000 -0.455 0.000 1.275 299 F CB 0.731 39.502 39.000 -0.382 0.000 1.073 299 F HN 0.941 nan 8.300 nan 0.000 0.586 300 G N 1.982 110.818 108.800 0.060 0.000 2.733 300 G HA2 -0.063 3.897 3.960 0.000 0.000 0.686 300 G HA3 -0.063 3.897 3.960 0.000 0.000 0.686 300 G C -1.320 173.652 174.900 0.120 0.000 1.373 300 G CA -0.720 44.450 45.100 0.116 0.000 0.838 300 G HN 0.233 nan 8.290 nan 0.000 0.588 301 E N -0.922 119.387 120.200 0.183 0.000 2.407 301 E HA 0.712 5.062 4.350 0.000 0.000 0.279 301 E C -0.246 176.392 176.600 0.064 0.000 1.012 301 E CA -0.576 55.802 56.400 -0.035 0.000 0.800 301 E CB 0.723 30.268 29.700 -0.258 0.000 1.276 301 E HN 1.656 nan 8.360 nan 0.000 0.452 302 F N 0.377 120.447 119.950 0.199 0.000 2.561 302 F HA -0.131 4.396 4.527 0.000 0.000 0.427 302 F C -2.133 173.757 175.800 0.150 0.000 1.139 302 F CA 0.141 58.255 58.000 0.190 0.000 1.360 302 F CB -1.033 38.131 39.000 0.274 0.000 1.972 302 F HN 0.227 nan 8.300 nan 0.000 0.767 303 P HA 0.106 nan 4.420 nan 0.000 0.274 303 P C 0.321 177.669 177.300 0.080 0.000 1.231 303 P CA -0.258 62.911 63.100 0.114 0.000 0.790 303 P CB 1.420 33.149 31.700 0.048 0.000 0.951 304 K N 0.395 120.839 120.400 0.072 0.000 2.242 304 K HA 0.050 4.370 4.320 0.000 0.000 0.200 304 K C 0.205 176.815 176.600 0.016 0.000 1.050 304 K CA 0.933 57.233 56.287 0.021 0.000 0.981 304 K CB 0.139 32.672 32.500 0.056 0.000 0.795 304 K HN 0.519 nan 8.250 nan 0.000 0.477 305 D N 0.861 121.295 120.400 0.056 0.000 2.549 305 D HA 0.077 4.717 4.640 0.000 0.000 0.251 305 D C 0.484 176.844 176.300 0.101 0.000 1.153 305 D CA -0.076 53.982 54.000 0.098 0.000 0.861 305 D CB 1.297 42.167 40.800 0.117 0.000 1.207 305 D HN -0.177 nan 8.370 nan 0.000 0.543 306 E N 2.532 122.794 120.200 0.104 0.000 2.333 306 E HA -0.168 4.182 4.350 0.000 0.000 0.198 306 E C 0.355 176.873 176.600 -0.136 0.000 1.007 306 E CA 0.883 57.267 56.400 -0.027 0.000 0.845 306 E CB 0.153 29.798 29.700 -0.091 0.000 0.766 306 E HN 0.622 nan 8.360 nan 0.000 0.507 307 Y N -0.243 120.055 120.300 -0.004 0.000 2.507 307 Y HA 0.165 4.715 4.550 0.000 0.000 0.254 307 Y C 0.171 176.096 175.900 0.042 0.000 1.171 307 Y CA -0.397 57.711 58.100 0.015 0.000 1.238 307 Y CB 0.823 39.308 38.460 0.043 0.000 1.148 307 Y HN -0.192 nan 8.280 nan 0.000 0.525 308 D N -0.020 120.464 120.400 0.140 0.000 2.421 308 D HA 0.235 4.875 4.640 0.000 0.000 0.254 308 D C 0.557 176.891 176.300 0.057 0.000 1.238 308 D CA -0.131 53.928 54.000 0.098 0.000 0.919 308 D CB 0.882 41.743 40.800 0.102 0.000 1.152 308 D HN 0.097 nan 8.370 nan 0.000 0.552 309 L N 2.716 123.955 121.223 0.026 0.000 2.191 309 L HA -0.087 4.253 4.340 0.000 0.000 0.212 309 L C 1.401 178.291 176.870 0.033 0.000 1.103 309 L CA 0.870 55.714 54.840 0.007 0.000 0.769 309 L CB -0.247 41.779 42.059 -0.055 0.000 0.908 309 L HN 0.378 nan 8.230 nan 0.000 0.438 310 N N -0.795 117.929 118.700 0.040 0.000 2.521 310 N HA -0.096 4.644 4.740 0.000 0.000 0.188 310 N C 1.639 177.178 175.510 0.049 0.000 1.146 310 N CA 0.666 53.742 53.050 0.043 0.000 0.893 310 N CB 0.182 38.692 38.487 0.039 0.000 0.975 310 N HN 0.250 nan 8.380 nan 0.000 0.451 311 S N -0.276 115.460 115.700 0.060 0.000 2.593 311 S HA 0.156 4.626 4.470 0.000 0.000 0.217 311 S C 0.660 175.316 174.600 0.093 0.000 0.966 311 S CA -0.383 57.859 58.200 0.070 0.000 0.914 311 S CB 0.240 63.485 63.200 0.074 0.000 0.776 311 S HN 0.108 nan 8.310 nan 0.000 0.523 312 R N 0.054 120.612 120.500 0.097 0.000 2.531 312 R HA 0.338 4.678 4.340 0.000 0.000 0.273 312 R C 0.732 177.120 176.300 0.147 0.000 1.070 312 R CA -0.344 55.844 56.100 0.147 0.000 1.112 312 R CB 0.234 30.614 30.300 0.133 0.000 1.049 312 R HN 0.285 nan 8.270 nan 0.000 0.508 313 F N 1.707 121.653 119.950 -0.006 0.000 2.134 313 F HA -0.054 4.473 4.527 0.000 0.000 0.299 313 F C -0.001 175.668 175.800 -0.218 0.000 1.097 313 F CA 1.201 59.042 58.000 -0.264 0.000 1.264 313 F CB 0.191 38.785 39.000 -0.676 0.000 1.001 313 F HN 0.256 nan 8.300 nan 0.000 0.479 314 F N 1.674 121.677 119.950 0.088 0.000 2.420 314 F HA 0.421 4.948 4.527 0.000 0.000 0.342 314 F C 0.136 175.941 175.800 0.009 0.000 1.113 314 F CA -1.063 56.915 58.000 -0.036 0.000 1.059 314 F CB 0.661 39.647 39.000 -0.023 0.000 1.128 314 F HN -0.419 nan 8.300 nan 0.000 0.475 315 K N 4.191 124.692 120.400 0.168 0.000 2.098 315 K HA 0.459 4.779 4.320 0.000 0.000 0.261 315 K C -2.489 174.149 176.600 0.063 0.000 0.987 315 K CA -2.692 53.651 56.287 0.093 0.000 0.916 315 K CB 0.378 32.915 32.500 0.062 0.000 1.039 315 K HN 0.223 nan 8.250 nan 0.000 0.455 316 P HA 0.351 nan 4.420 nan 0.000 0.274 316 P C -0.290 177.009 177.300 -0.000 0.000 1.256 316 P CA -0.322 62.771 63.100 -0.011 0.000 0.795 316 P CB 0.838 32.531 31.700 -0.013 0.000 1.038 317 G N -1.480 107.291 108.800 -0.048 0.000 2.368 317 G HA2 0.455 4.415 3.960 0.000 0.000 0.293 317 G HA3 0.455 4.415 3.960 0.000 0.000 0.293 317 G C -2.152 172.660 174.900 -0.147 0.000 1.467 317 G CA -0.449 44.628 45.100 -0.039 0.000 0.804 317 G HN 0.377 nan 8.290 nan 0.000 0.535 318 V N -0.161 119.644 119.914 -0.181 0.000 2.638 318 V HA 0.741 4.861 4.120 0.000 0.000 0.306 318 V C -0.495 175.351 176.094 -0.414 0.000 1.052 318 V CA -0.708 61.360 62.300 -0.387 0.000 0.885 318 V CB 1.756 33.285 31.823 -0.490 0.000 0.999 318 V HN 0.768 nan 8.190 nan 0.000 0.424 319 V N 4.873 124.470 119.914 -0.528 0.000 2.638 319 V HA 0.579 4.699 4.120 0.000 0.000 0.306 319 V C -1.035 174.730 176.094 -0.549 0.000 1.052 319 V CA -0.544 61.446 62.300 -0.517 0.000 0.885 319 V CB 1.891 33.265 31.823 -0.748 0.000 0.999 319 V HN 0.679 nan 8.190 nan 0.000 0.424 320 F N 4.063 123.962 119.950 -0.085 0.000 2.443 320 F HA 0.636 5.163 4.527 0.000 0.000 0.335 320 F C 0.736 176.507 175.800 -0.048 0.000 1.104 320 F CA -1.066 56.913 58.000 -0.036 0.000 1.013 320 F CB 1.538 40.539 39.000 0.003 0.000 1.136 320 F HN 0.374 nan 8.300 nan 0.000 0.470 321 K N 2.296 122.783 120.400 0.146 0.000 3.077 321 K HA -0.282 4.038 4.320 0.000 0.000 0.264 321 K C 0.306 176.923 176.600 0.029 0.000 1.008 321 K CA 0.767 57.098 56.287 0.073 0.000 0.740 321 K CB -1.572 30.971 32.500 0.072 0.000 1.273 321 K HN 0.826 nan 8.250 nan 0.000 0.477 322 R N -1.553 118.978 120.500 0.051 0.000 3.863 322 R HA -0.215 4.125 4.340 0.000 0.000 0.313 322 R C -0.234 176.104 176.300 0.064 0.000 1.202 322 R CA 1.172 57.322 56.100 0.084 0.000 0.852 322 R CB -1.370 28.805 30.300 -0.208 0.000 1.292 322 R HN 0.395 nan 8.270 nan 0.000 0.519 323 D N 0.201 120.559 120.400 -0.070 0.000 2.558 323 D HA 0.086 4.726 4.640 0.000 0.000 0.221 323 D C 0.363 176.613 176.300 -0.084 0.000 1.143 323 D CA -0.230 53.766 54.000 -0.006 0.000 1.010 323 D CB -0.236 40.581 40.800 0.029 0.000 1.068 323 D HN 0.156 nan 8.370 nan 0.000 0.511 324 F N 1.159 121.161 119.950 0.087 0.000 2.748 324 F HA 0.059 4.586 4.527 0.000 0.000 0.299 324 F C 1.958 177.799 175.800 0.068 0.000 1.154 324 F CA 0.290 58.333 58.000 0.071 0.000 1.446 324 F CB 0.312 39.352 39.000 0.066 0.000 1.112 324 F HN 0.091 nan 8.300 nan 0.000 0.584 325 K N -0.272 120.239 120.400 0.186 0.000 2.432 325 K HA 0.040 4.361 4.320 0.000 0.000 0.196 325 K C 0.043 176.697 176.600 0.090 0.000 1.038 325 K CA 0.534 56.899 56.287 0.129 0.000 0.986 325 K CB -0.112 32.453 32.500 0.107 0.000 0.782 325 K HN 0.008 nan 8.250 nan 0.000 0.485 326 N N 0.902 119.642 118.700 0.068 0.000 2.757 326 N HA 0.182 4.922 4.740 0.000 0.000 0.296 326 N C -0.896 174.637 175.510 0.039 0.000 1.874 326 N CA -0.196 52.889 53.050 0.059 0.000 0.885 326 N CB 0.692 39.220 38.487 0.067 0.000 1.242 326 N HN 0.037 nan 8.380 nan 0.000 0.488 327 I N 1.232 121.822 120.570 0.033 0.000 2.618 327 I HA -0.025 4.145 4.170 0.000 0.000 0.284 327 I C 0.660 176.803 176.117 0.042 0.000 1.146 327 I CA 0.284 61.587 61.300 0.006 0.000 1.425 327 I CB 0.441 38.461 38.000 0.033 0.000 1.383 327 I HN -0.194 nan 8.210 nan 0.000 0.562 328 K N 7.569 127.995 120.400 0.042 0.000 2.110 328 K HA 0.481 4.801 4.320 0.000 0.000 0.263 328 K C -2.365 174.291 176.600 0.094 0.000 0.975 328 K CA -1.966 54.386 56.287 0.109 0.000 0.895 328 K CB 0.825 33.459 32.500 0.223 0.000 1.060 328 K HN 0.221 nan 8.250 nan 0.000 0.448 329 P HA 0.001 nan 4.420 nan 0.000 0.269 329 P C -0.401 177.005 177.300 0.177 0.000 1.215 329 P CA -0.255 62.915 63.100 0.116 0.000 0.780 329 P CB 0.267 32.022 31.700 0.092 0.000 0.898 330 F N 2.346 122.294 119.950 -0.003 0.000 2.421 330 F HA 0.261 4.788 4.527 0.000 0.000 0.358 330 F C -0.094 175.764 175.800 0.096 0.000 1.115 330 F CA -0.878 57.118 58.000 -0.006 0.000 1.160 330 F CB -0.040 38.886 39.000 -0.124 0.000 1.123 330 F HN 0.087 nan 8.300 nan 0.000 0.508 331 D N 6.181 126.452 120.400 -0.214 0.000 2.427 331 D HA 0.127 4.767 4.640 0.000 0.000 0.226 331 D C 0.779 176.814 176.300 -0.441 0.000 1.076 331 D CA -0.443 53.383 54.000 -0.290 0.000 0.849 331 D CB 1.154 41.954 40.800 0.000 0.000 1.052 331 D HN 0.757 nan 8.370 nan 0.000 0.515 332 K N 3.097 123.108 120.400 -0.648 0.000 2.442 332 K HA -0.074 4.246 4.320 0.000 0.000 0.198 332 K C 1.000 177.747 176.600 0.244 0.000 1.042 332 K CA 0.708 56.873 56.287 -0.205 0.000 0.958 332 K CB 0.024 32.575 32.500 0.084 0.000 0.766 332 K HN 0.289 nan 8.250 nan 0.000 0.474 333 M N 0.869 120.518 119.600 0.082 0.000 2.595 333 M HA 0.050 4.530 4.480 0.000 0.000 0.248 333 M C 0.949 177.274 176.300 0.041 0.000 1.119 333 M CA 0.905 56.214 55.300 0.016 0.000 1.079 333 M CB -0.019 32.535 32.600 -0.076 0.000 1.472 333 M HN 0.178 nan 8.290 nan 0.000 0.501 334 Q N 0.309 120.114 119.800 0.010 0.000 2.246 334 Q HA 0.333 4.673 4.340 0.000 0.000 0.202 334 Q C 0.208 176.183 176.000 -0.041 0.000 0.883 334 Q CA 0.104 55.809 55.803 -0.163 0.000 0.952 334 Q CB 0.541 28.926 28.738 -0.588 0.000 1.078 334 Q HN 0.481 nan 8.270 nan 0.000 0.493 335 I N 1.686 122.403 120.570 0.246 0.000 2.371 335 I HA 0.108 4.278 4.170 0.000 0.000 0.290 335 I C 0.259 176.422 176.117 0.077 0.000 1.028 335 I CA 0.174 61.666 61.300 0.320 0.000 1.345 335 I CB 0.737 38.981 38.000 0.406 0.000 1.407 335 I HN -0.147 nan 8.210 nan 0.000 0.501 336 E N 5.788 126.013 120.200 0.042 0.000 2.293 336 E HA 0.392 4.742 4.350 0.000 0.000 0.270 336 E C -1.249 175.277 176.600 -0.124 0.000 0.879 336 E CA -0.843 55.506 56.400 -0.086 0.000 0.756 336 E CB 2.399 32.052 29.700 -0.079 0.000 1.208 336 E HN 0.499 nan 8.360 nan 0.000 0.428 337 E N 2.068 122.135 120.200 -0.221 0.000 2.113 337 E HA 0.233 4.583 4.350 0.000 0.000 0.273 337 E C -0.669 175.815 176.600 -0.193 0.000 0.924 337 E CA -0.417 55.866 56.400 -0.196 0.000 0.764 337 E CB 1.127 30.680 29.700 -0.246 0.000 1.104 337 E HN 0.339 nan 8.360 nan 0.000 0.406 338 H N 1.207 120.195 119.070 -0.137 0.000 2.505 338 H HA 0.137 4.693 4.556 0.000 0.000 0.351 338 H C 0.861 176.131 175.328 -0.096 0.000 1.151 338 H CA -0.168 55.822 56.048 -0.097 0.000 1.339 338 H CB 1.828 31.554 29.762 -0.060 0.000 1.483 338 H HN 0.389 nan 8.280 nan 0.000 0.558 339 V N 0.194 120.114 119.914 0.010 0.000 3.398 339 V HA 0.144 4.264 4.120 0.000 0.000 0.298 339 V C 1.956 178.028 176.094 -0.037 0.000 1.496 339 V CA -0.262 62.047 62.300 0.016 0.000 1.044 339 V CB 0.393 32.239 31.823 0.038 0.000 0.880 339 V HN 0.558 nan 8.190 nan 0.000 0.443 340 R N 1.114 121.572 120.500 -0.070 0.000 2.127 340 R HA -0.114 4.226 4.340 0.000 0.000 0.238 340 R C 1.375 177.428 176.300 -0.411 0.000 1.134 340 R CA 1.929 57.892 56.100 -0.229 0.000 0.975 340 R CB -0.368 29.777 30.300 -0.259 0.000 0.865 340 R HN 0.723 nan 8.270 nan 0.000 0.447 341 H N -1.149 117.839 119.070 -0.137 0.000 2.528 341 H HA 0.314 4.870 4.556 0.000 0.000 0.282 341 H C -0.118 174.867 175.328 -0.573 0.000 1.097 341 H CA -0.107 55.774 56.048 -0.278 0.000 1.121 341 H CB 0.712 30.337 29.762 -0.228 0.000 1.590 341 H HN -0.016 nan 8.280 nan 0.000 0.553 342 S N -0.342 115.146 115.700 -0.353 0.000 2.648 342 S HA 0.176 4.646 4.470 0.000 0.000 0.305 342 S C -0.127 174.197 174.600 -0.460 0.000 1.094 342 S CA -0.787 57.135 58.200 -0.463 0.000 0.983 342 S CB 1.593 64.778 63.200 -0.025 0.000 1.101 342 S HN 0.305 nan 8.310 nan 0.000 0.514 343 W N 2.682 123.612 121.300 -0.617 0.000 1.395 343 W HA 0.367 5.027 4.660 0.000 0.000 0.451 343 W C -0.962 175.004 176.519 -0.922 0.000 0.619 343 W CA -0.644 56.186 57.345 -0.859 0.000 2.212 343 W CB -1.433 27.140 29.460 -1.478 0.000 1.537 343 W HN 0.545 nan 8.180 nan 0.000 0.275 344 Y N -0.763 119.536 120.300 -0.000 0.000 2.605 344 Y HA 0.233 4.783 4.550 0.000 0.000 0.343 344 Y C 0.664 176.560 175.900 -0.005 0.000 1.036 344 Y CA -1.478 56.632 58.100 0.016 0.000 1.065 344 Y CB 1.222 39.685 38.460 0.005 0.000 1.288 344 Y HN -0.081 nan 8.280 nan 0.000 0.481 345 E N 1.240 121.545 120.200 0.176 0.000 2.415 345 E HA 0.343 4.693 4.350 0.000 0.000 0.263 345 E C 0.501 177.132 176.600 0.052 0.000 0.995 345 E CA 0.915 57.365 56.400 0.084 0.000 0.915 345 E CB 0.405 30.148 29.700 0.072 0.000 0.951 345 E HN 0.865 nan 8.360 nan 0.000 0.449 346 G N 2.332 111.143 108.800 0.017 0.000 2.593 346 G HA2 -0.148 3.812 3.960 0.000 0.000 0.237 346 G HA3 -0.148 3.812 3.960 0.000 0.000 0.237 346 G C 0.202 175.088 174.900 -0.023 0.000 1.312 346 G CA -0.119 44.977 45.100 -0.005 0.000 0.896 346 G HN 0.805 nan 8.290 nan 0.000 0.574 347 A N -0.806 121.993 122.820 -0.035 0.000 2.704 347 A HA 0.624 4.944 4.320 0.000 0.000 0.260 347 A C 0.377 177.925 177.584 -0.060 0.000 1.144 347 A CA 1.299 53.305 52.037 -0.052 0.000 0.985 347 A CB 0.283 19.250 19.000 -0.054 0.000 1.256 347 A HN 0.884 nan 8.150 nan 0.000 0.598 348 E N 1.283 121.441 120.200 -0.070 0.000 2.194 348 E HA 0.581 4.931 4.350 0.000 0.000 0.284 348 E C 0.250 176.741 176.600 -0.182 0.000 1.035 348 E CA -0.302 56.035 56.400 -0.105 0.000 0.836 348 E CB 1.037 30.691 29.700 -0.077 0.000 1.070 348 E HN 0.432 nan 8.360 nan 0.000 0.401 349 A N 5.079 127.709 122.820 -0.317 0.000 2.386 349 A HA 0.395 4.715 4.320 0.000 0.000 0.248 349 A C -0.275 177.143 177.584 -0.276 0.000 1.082 349 A CA -0.280 51.471 52.037 -0.477 0.000 0.789 349 A CB 0.542 18.913 19.000 -1.050 0.000 1.025 349 A HN 0.605 nan 8.150 nan 0.000 0.490 350 R N 0.794 121.148 120.500 -0.244 0.000 2.621 350 R HA 0.243 4.583 4.340 0.000 0.000 0.284 350 R C -0.668 175.526 176.300 -0.177 0.000 0.998 350 R CA -0.652 55.351 56.100 -0.162 0.000 0.895 350 R CB 1.220 31.434 30.300 -0.144 0.000 1.195 350 R HN 0.979 nan 8.270 nan 0.000 0.450 351 H N 4.895 123.847 119.070 -0.196 0.000 2.928 351 H HA 0.043 4.599 4.556 0.000 0.000 0.338 351 H C -1.404 173.706 175.328 -0.364 0.000 1.047 351 H CA -0.816 55.069 56.048 -0.272 0.000 1.435 351 H CB 1.334 30.986 29.762 -0.185 0.000 1.428 351 H HN 0.177 nan 8.280 nan 0.000 0.590 352 P HA -0.132 nan 4.420 nan 0.000 0.222 352 P C 1.203 178.221 177.300 -0.470 0.000 1.147 352 P CA 0.892 63.437 63.100 -0.925 0.000 0.790 352 P CB -0.020 30.707 31.700 -1.622 0.000 0.780 353 W N 0.775 121.911 121.300 -0.273 0.000 2.825 353 W HA 0.085 4.745 4.660 0.000 0.000 0.243 353 W C 0.899 177.425 176.519 0.013 0.000 1.293 353 W CA 0.738 58.104 57.345 0.034 0.000 1.403 353 W CB -0.439 29.147 29.460 0.209 0.000 1.134 353 W HN 0.094 nan 8.180 nan 0.000 0.666 354 K N -0.836 119.673 120.400 0.181 0.000 2.758 354 K HA 0.282 4.602 4.320 0.000 0.000 0.208 354 K C 0.850 177.447 176.600 -0.006 0.000 1.091 354 K CA -0.234 56.099 56.287 0.077 0.000 1.059 354 K CB 0.694 33.236 32.500 0.069 0.000 0.801 354 K HN -0.166 nan 8.250 nan 0.000 0.470 355 G N 1.014 109.787 108.800 -0.044 0.000 2.569 355 G HA2 0.139 4.099 3.960 0.000 0.000 0.249 355 G HA3 0.139 4.099 3.960 0.000 0.000 0.249 355 G C -0.548 174.321 174.900 -0.052 0.000 1.216 355 G CA -0.117 44.926 45.100 -0.096 0.000 0.845 355 G HN 0.180 nan 8.290 nan 0.000 0.568 356 Q N -0.705 119.048 119.800 -0.079 0.000 2.331 356 Q HA 0.474 4.814 4.340 0.000 0.000 0.272 356 Q C -1.311 174.640 176.000 -0.082 0.000 1.062 356 Q CA -0.602 55.172 55.803 -0.048 0.000 0.806 356 Q CB 2.661 31.375 28.738 -0.039 0.000 1.312 356 Q HN 0.431 nan 8.270 nan 0.000 0.431 357 T N 2.757 117.308 114.554 -0.005 0.000 3.141 357 T HA 0.269 4.619 4.350 0.000 0.000 0.377 357 T C -0.855 173.952 174.700 0.178 0.000 1.258 357 T CA -0.472 61.643 62.100 0.025 0.000 1.263 357 T CB 0.359 69.297 68.868 0.117 0.000 1.066 357 T HN 0.414 nan 8.240 nan 0.000 0.546 358 Q N 3.275 123.218 119.800 0.238 0.000 2.700 358 Q HA 0.277 4.617 4.340 0.000 0.000 0.249 358 Q C -2.659 173.528 176.000 0.311 0.000 1.033 358 Q CA -2.133 53.806 55.803 0.227 0.000 0.804 358 Q CB 1.612 30.433 28.738 0.140 0.000 1.164 358 Q HN 0.317 nan 8.270 nan 0.000 0.500 359 P HA 0.034 nan 4.420 nan 0.000 0.268 359 P C -0.472 176.862 177.300 0.056 0.000 1.205 359 P CA -0.142 62.971 63.100 0.022 0.000 0.771 359 P CB 0.743 32.283 31.700 -0.267 0.000 0.858 360 K N 3.251 123.661 120.400 0.017 0.000 2.729 360 K HA 0.229 4.549 4.320 0.000 0.000 0.269 360 K C -2.150 174.426 176.600 -0.042 0.000 1.065 360 K CA -0.853 55.447 56.287 0.021 0.000 1.000 360 K CB -0.276 32.237 32.500 0.023 0.000 1.283 360 K HN 0.308 nan 8.250 nan 0.000 0.491 361 Y N 2.442 122.607 120.300 -0.225 0.000 2.335 361 Y HA 0.311 4.861 4.550 0.000 0.000 0.331 361 Y C 1.098 176.742 175.900 -0.427 0.000 1.094 361 Y CA 0.525 58.277 58.100 -0.579 0.000 1.253 361 Y CB 1.368 39.540 38.460 -0.481 0.000 1.203 361 Y HN 0.640 nan 8.280 nan 0.000 0.508 362 T N 0.513 114.473 114.554 -0.989 0.000 3.111 362 T HA 0.259 4.609 4.350 0.000 0.000 0.284 362 T C -0.278 174.004 174.700 -0.697 0.000 0.983 362 T CA 0.126 61.903 62.100 -0.540 0.000 0.900 362 T CB -0.227 68.560 68.868 -0.135 0.000 1.132 362 T HN 0.709 nan 8.240 nan 0.000 0.531 363 D N 0.381 119.814 120.400 -1.612 0.000 10.640 363 D HA -0.167 4.473 4.640 0.000 0.000 0.360 363 D C -0.505 175.659 176.300 -0.227 0.000 3.073 363 D CA 0.168 53.553 54.000 -1.025 0.000 2.519 363 D CB -0.518 40.031 40.800 -0.420 0.000 1.179 363 D HN 0.422 nan 8.370 nan 0.000 0.978 364 L N 3.115 124.339 121.223 0.002 0.000 2.562 364 L HA 0.040 4.380 4.340 0.000 0.000 0.271 364 L C 1.234 178.134 176.870 0.051 0.000 1.167 364 L CA 0.193 55.096 54.840 0.104 0.000 0.917 364 L CB -0.105 42.018 42.059 0.106 0.000 1.187 364 L HN 0.474 nan 8.230 nan 0.000 0.482 365 H N 0.227 119.356 119.070 0.099 0.000 3.080 365 H HA -0.136 4.420 4.556 0.000 0.000 0.254 365 H C 0.917 176.257 175.328 0.020 0.000 1.179 365 H CA 0.610 56.667 56.048 0.015 0.000 1.144 365 H CB -1.376 28.317 29.762 -0.115 0.000 1.261 365 H HN 0.814 nan 8.280 nan 0.000 0.333 366 G N 1.032 109.886 108.800 0.090 0.000 2.334 366 G HA2 0.259 4.219 3.960 0.000 0.000 0.261 366 G HA3 0.259 4.219 3.960 0.000 0.000 0.261 366 G C 0.372 175.295 174.900 0.038 0.000 1.257 366 G CA 0.721 45.838 45.100 0.029 0.000 0.935 366 G HN 0.395 nan 8.290 nan 0.000 0.480 367 D N 1.505 121.923 120.400 0.030 0.000 2.811 367 D HA -0.218 4.422 4.640 0.000 0.000 0.231 367 D C 0.797 177.127 176.300 0.050 0.000 1.157 367 D CA 1.603 55.618 54.000 0.024 0.000 0.716 367 D CB -0.855 39.943 40.800 -0.004 0.000 1.077 367 D HN 0.691 nan 8.370 nan 0.000 0.428 368 D N -1.514 118.956 120.400 0.118 0.000 2.981 368 D HA -0.238 4.402 4.640 0.000 0.000 0.223 368 D C -0.510 175.948 176.300 0.264 0.000 1.151 368 D CA 1.079 55.224 54.000 0.242 0.000 0.827 368 D CB -0.730 40.232 40.800 0.269 0.000 1.101 368 D HN 0.669 nan 8.370 nan 0.000 0.426 369 R N -0.145 120.390 120.500 0.058 0.000 2.514 369 R HA 0.549 4.889 4.340 0.000 0.000 0.301 369 R C 0.342 176.348 176.300 -0.491 0.000 0.962 369 R CA -0.656 55.283 56.100 -0.267 0.000 0.882 369 R CB 1.086 31.183 30.300 -0.339 0.000 1.143 369 R HN 0.255 nan 8.270 nan 0.000 0.452 370 Y N -1.850 117.845 120.300 -1.008 0.000 2.954 370 Y HA 0.486 5.036 4.550 0.000 0.000 0.267 370 Y C -0.541 174.484 175.900 -1.458 0.000 1.093 370 Y CA -0.712 56.724 58.100 -1.107 0.000 1.257 370 Y CB 0.636 38.617 38.460 -0.799 0.000 1.317 370 Y HN 0.391 nan 8.280 nan 0.000 0.587 371 S N -0.676 113.754 115.700 -2.117 0.000 2.547 371 S HA 0.280 4.750 4.470 0.000 0.000 0.270 371 S C -1.133 172.958 174.600 -0.849 0.000 1.150 371 S CA -0.649 56.844 58.200 -1.178 0.000 0.850 371 S CB 0.341 63.174 63.200 -0.611 0.000 1.118 371 S HN 0.408 nan 8.310 nan 0.000 0.461 372 W N 2.523 123.827 121.300 0.006 0.000 3.047 372 W HA 0.311 4.971 4.660 0.000 0.000 0.250 372 W C 0.981 177.624 176.519 0.208 0.000 1.314 372 W CA -0.351 57.100 57.345 0.177 0.000 1.540 372 W CB 0.207 29.875 29.460 0.346 0.000 1.127 372 W HN 0.285 nan 8.180 nan 0.000 0.679 373 M N 1.327 121.078 119.600 0.251 0.000 2.235 373 M HA 0.129 4.609 4.480 0.000 0.000 0.351 373 M C 0.617 176.995 176.300 0.130 0.000 1.178 373 M CA 0.208 55.616 55.300 0.179 0.000 1.143 373 M CB 0.906 33.554 32.600 0.079 0.000 1.530 373 M HN -0.211 nan 8.290 nan 0.000 0.461 374 K N 1.261 121.714 120.400 0.089 0.000 2.149 374 K HA 0.455 4.775 4.320 0.000 0.000 0.245 374 K C -0.266 176.297 176.600 -0.062 0.000 1.024 374 K CA -0.397 55.878 56.287 -0.021 0.000 0.899 374 K CB 0.525 32.944 32.500 -0.135 0.000 1.038 374 K HN 0.739 nan 8.250 nan 0.000 0.496 375 A N 2.670 125.453 122.820 -0.061 0.000 2.508 375 A HA 0.366 4.686 4.320 0.000 0.000 0.336 375 A C -2.511 175.008 177.584 -0.107 0.000 1.360 375 A CA -1.748 50.246 52.037 -0.072 0.000 0.841 375 A CB 0.261 19.240 19.000 -0.035 0.000 1.136 375 A HN 0.306 nan 8.150 nan 0.000 0.489 376 P HA 0.369 nan 4.420 nan 0.000 0.275 376 P C -0.506 176.622 177.300 -0.287 0.000 1.227 376 P CA -0.075 62.678 63.100 -0.578 0.000 0.781 376 P CB 0.726 31.487 31.700 -1.564 0.000 0.906 377 R N 2.157 122.653 120.500 -0.006 0.000 2.744 377 R HA 0.404 4.744 4.340 0.000 0.000 0.279 377 R C -1.376 175.241 176.300 0.529 0.000 0.977 377 R CA -0.811 55.471 56.100 0.303 0.000 0.906 377 R CB 1.726 32.131 30.300 0.176 0.000 1.197 377 R HN 0.516 nan 8.270 nan 0.000 0.463 378 Y N 2.726 123.351 120.300 0.542 0.000 2.334 378 Y HA 0.212 4.762 4.550 0.000 0.000 0.336 378 Y C 0.685 176.824 175.900 0.398 0.000 0.960 378 Y CA -0.208 58.196 58.100 0.505 0.000 1.164 378 Y CB 0.857 39.582 38.460 0.442 0.000 1.155 378 Y HN 0.753 nan 8.280 nan 0.000 0.478 379 M N 5.420 124.944 119.600 -0.125 0.000 2.393 379 M HA -0.314 4.166 4.480 0.000 0.000 0.201 379 M C 1.099 177.449 176.300 0.084 0.000 0.403 379 M CA 1.436 56.714 55.300 -0.036 0.000 0.471 379 M CB -1.698 30.902 32.600 -0.000 0.000 1.669 379 M HN 1.170 nan 8.290 nan 0.000 0.864 380 G N -1.122 107.760 108.800 0.137 0.000 2.179 380 G HA2 -0.224 3.736 3.960 0.000 0.000 0.260 380 G HA3 -0.224 3.736 3.960 0.000 0.000 0.260 380 G C -0.125 174.856 174.900 0.136 0.000 0.977 380 G CA 0.618 45.793 45.100 0.124 0.000 0.641 380 G HN 0.556 nan 8.290 nan 0.000 0.533 381 E N 1.017 121.369 120.200 0.252 0.000 2.202 381 E HA 0.462 4.813 4.350 0.000 0.000 0.272 381 E C -2.550 174.215 176.600 0.275 0.000 0.951 381 E CA -2.038 54.515 56.400 0.254 0.000 0.813 381 E CB 2.068 32.006 29.700 0.396 0.000 1.151 381 E HN 0.189 nan 8.360 nan 0.000 0.398 382 P HA 0.207 nan 4.420 nan 0.000 0.281 382 P C -0.619 176.761 177.300 0.133 0.000 1.252 382 P CA -0.204 62.993 63.100 0.162 0.000 0.778 382 P CB 0.558 32.296 31.700 0.063 0.000 0.895 383 M N 1.578 121.291 119.600 0.189 0.000 2.253 383 M HA 0.348 4.828 4.480 0.000 0.000 0.314 383 M C 0.249 176.519 176.300 -0.049 0.000 1.019 383 M CA -0.957 54.329 55.300 -0.023 0.000 0.932 383 M CB 1.556 34.060 32.600 -0.160 0.000 1.606 383 M HN 0.403 nan 8.290 nan 0.000 0.430 384 E N 1.476 121.562 120.200 -0.190 0.000 2.384 384 E HA 0.281 4.631 4.350 0.000 0.000 0.266 384 E C -0.858 175.709 176.600 -0.054 0.000 1.012 384 E CA 0.306 56.666 56.400 -0.067 0.000 0.901 384 E CB 0.971 30.642 29.700 -0.048 0.000 0.967 384 E HN 0.679 nan 8.360 nan 0.000 0.435 385 T N 2.121 116.670 114.554 -0.008 0.000 2.887 385 T HA 0.759 5.109 4.350 0.000 0.000 0.292 385 T C -0.399 174.311 174.700 0.016 0.000 1.087 385 T CA 0.418 62.459 62.100 -0.099 0.000 1.009 385 T CB 1.410 70.067 68.868 -0.352 0.000 1.203 385 T HN 0.896 nan 8.240 nan 0.000 0.518 386 G N 2.212 110.989 108.800 -0.038 0.000 2.331 386 G HA2 -0.000 3.960 3.960 0.000 0.000 0.479 386 G HA3 -0.000 3.960 3.960 0.000 0.000 0.479 386 G C -2.511 172.395 174.900 0.010 0.000 1.262 386 G CA -0.171 44.939 45.100 0.018 0.000 1.029 386 G HN 0.558 nan 8.290 nan 0.000 0.487 387 P HA -0.019 nan 4.420 nan 0.000 0.216 387 P C 2.220 179.470 177.300 -0.085 0.000 1.150 387 P CA 1.118 64.205 63.100 -0.022 0.000 0.843 387 P CB 0.107 31.772 31.700 -0.057 0.000 0.787 388 L N -1.181 120.012 121.223 -0.049 0.000 2.093 388 L HA -0.142 4.198 4.340 0.000 0.000 0.208 388 L C 2.158 178.966 176.870 -0.103 0.000 1.085 388 L CA 1.731 56.517 54.840 -0.090 0.000 0.755 388 L CB -0.829 41.228 42.059 -0.002 0.000 0.904 388 L HN -0.029 nan 8.230 nan 0.000 0.435 389 A N -0.609 122.241 122.820 0.049 0.000 1.902 389 A HA -0.301 4.019 4.320 0.000 0.000 0.217 389 A C 2.151 179.684 177.584 -0.084 0.000 1.181 389 A CA 1.835 53.909 52.037 0.062 0.000 0.623 389 A CB -0.562 18.517 19.000 0.132 0.000 0.818 389 A HN 0.559 nan 8.150 nan 0.000 0.443 390 Q N -0.396 119.318 119.800 -0.145 0.000 2.050 390 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 390 Q C 1.947 177.761 176.000 -0.309 0.000 0.980 390 Q CA 2.121 57.772 55.803 -0.253 0.000 0.840 390 Q CB -0.238 28.300 28.738 -0.333 0.000 0.898 390 Q HN 0.366 nan 8.270 nan 0.000 0.424 391 V N 0.750 120.488 119.914 -0.293 0.000 2.307 391 V HA -0.263 3.858 4.120 0.000 0.000 0.245 391 V C 2.301 178.254 176.094 -0.235 0.000 1.045 391 V CA 1.610 63.744 62.300 -0.276 0.000 1.024 391 V CB -0.476 31.198 31.823 -0.248 0.000 0.651 391 V HN 0.418 nan 8.190 nan 0.000 0.449 392 L N -0.823 120.205 121.223 -0.325 0.000 2.056 392 L HA -0.157 4.183 4.340 0.000 0.000 0.207 392 L C 2.336 179.079 176.870 -0.210 0.000 1.078 392 L CA 1.601 56.146 54.840 -0.493 0.000 0.749 392 L CB -0.442 41.069 42.059 -0.913 0.000 0.901 392 L HN 0.281 nan 8.230 nan 0.000 0.433 393 I N -0.222 120.346 120.570 -0.004 0.000 2.252 393 I HA -0.235 3.935 4.170 0.000 0.000 0.245 393 I C 2.802 178.961 176.117 0.071 0.000 1.102 393 I CA 1.055 62.439 61.300 0.140 0.000 1.385 393 I CB -0.382 37.670 38.000 0.087 0.000 1.064 393 I HN 0.171 nan 8.210 nan 0.000 0.414 394 A N 0.174 122.990 122.820 -0.006 0.000 1.902 394 A HA -0.292 4.028 4.320 0.000 0.000 0.217 394 A C 2.292 179.909 177.584 0.056 0.000 1.181 394 A CA 1.496 53.547 52.037 0.022 0.000 0.623 394 A CB -1.146 17.806 19.000 -0.080 0.000 0.818 394 A HN 0.504 nan 8.150 nan 0.000 0.443 395 Y N 1.294 121.535 120.300 -0.098 0.000 2.114 395 Y HA -0.271 4.279 4.550 0.000 0.000 0.282 395 Y C 2.653 178.524 175.900 -0.048 0.000 1.165 395 Y CA 2.236 60.280 58.100 -0.093 0.000 1.148 395 Y CB -0.149 38.195 38.460 -0.193 0.000 0.972 395 Y HN 0.317 nan 8.280 nan 0.000 0.504 396 S N -0.328 115.488 115.700 0.195 0.000 2.489 396 S HA -0.129 4.341 4.470 0.000 0.000 0.228 396 S C 1.445 176.109 174.600 0.108 0.000 0.995 396 S CA 0.873 59.186 58.200 0.189 0.000 0.934 396 S CB -0.171 63.207 63.200 0.297 0.000 0.771 396 S HN 0.568 nan 8.310 nan 0.000 0.522 397 Q N 0.194 120.038 119.800 0.074 0.000 2.444 397 Q HA 0.216 4.556 4.340 0.000 0.000 0.206 397 Q C 1.252 177.246 176.000 -0.010 0.000 0.948 397 Q CA 0.328 56.155 55.803 0.040 0.000 0.946 397 Q CB 0.177 28.945 28.738 0.050 0.000 1.027 397 Q HN 0.585 nan 8.270 nan 0.000 0.513 398 G N 1.149 109.914 108.800 -0.059 0.000 2.132 398 G HA2 -0.326 3.634 3.960 0.000 0.000 0.234 398 G HA3 -0.326 3.634 3.960 0.000 0.000 0.234 398 G C -0.269 174.558 174.900 -0.121 0.000 0.989 398 G CA 0.084 45.112 45.100 -0.121 0.000 0.676 398 G HN 0.608 nan 8.290 nan 0.000 0.522 399 H N 1.254 120.214 119.070 -0.184 0.000 3.184 399 H HA 0.300 4.856 4.556 0.000 0.000 0.274 399 H C -0.643 174.568 175.328 -0.196 0.000 0.962 399 H CA -0.179 55.750 56.048 -0.198 0.000 1.441 399 H CB 0.973 30.628 29.762 -0.178 0.000 1.518 399 H HN 0.159 nan 8.280 nan 0.000 0.539 400 P HA -0.149 nan 4.420 nan 0.000 0.219 400 P C 1.075 178.395 177.300 0.034 0.000 1.150 400 P CA 1.022 64.070 63.100 -0.085 0.000 0.814 400 P CB 0.378 32.014 31.700 -0.107 0.000 0.787 401 K N -0.438 120.071 120.400 0.180 0.000 2.062 401 K HA 0.009 4.329 4.320 0.000 0.000 0.205 401 K C 2.063 178.769 176.600 0.176 0.000 1.051 401 K CA 0.880 57.294 56.287 0.212 0.000 0.941 401 K CB -1.302 31.392 32.500 0.324 0.000 0.719 401 K HN 0.072 nan 8.250 nan 0.000 0.440 402 V N 2.181 122.219 119.914 0.206 0.000 2.343 402 V HA -0.237 3.883 4.120 0.000 0.000 0.247 402 V C 2.598 178.730 176.094 0.063 0.000 1.051 402 V CA 1.822 64.148 62.300 0.044 0.000 1.036 402 V CB -0.427 31.332 31.823 -0.106 0.000 0.654 402 V HN 0.375 nan 8.190 nan 0.000 0.451 403 K N 0.347 120.720 120.400 -0.045 0.000 2.057 403 K HA -0.145 4.175 4.320 0.000 0.000 0.206 403 K C 2.179 178.784 176.600 0.007 0.000 1.050 403 K CA 1.500 57.675 56.287 -0.188 0.000 0.935 403 K CB -0.316 31.875 32.500 -0.515 0.000 0.715 403 K HN 0.405 nan 8.250 nan 0.000 0.439 404 A N 0.871 123.692 122.820 0.003 0.000 1.902 404 A HA -0.117 4.203 4.320 0.000 0.000 0.217 404 A C 2.194 179.795 177.584 0.029 0.000 1.181 404 A CA 1.786 53.833 52.037 0.017 0.000 0.623 404 A CB -0.689 18.322 19.000 0.019 0.000 0.818 404 A HN 0.325 nan 8.150 nan 0.000 0.443 405 V N -0.354 119.582 119.914 0.036 0.000 3.052 405 V HA -0.074 4.046 4.120 0.000 0.000 0.254 405 V C 2.353 178.447 176.094 -0.001 0.000 1.100 405 V CA 2.466 64.772 62.300 0.009 0.000 1.112 405 V CB -1.016 30.807 31.823 -0.001 0.000 0.738 405 V HN 0.718 nan 8.190 nan 0.000 0.469 406 T N -2.505 112.071 114.554 0.037 0.000 2.821 406 T HA -0.182 4.168 4.350 0.000 0.000 0.267 406 T C 1.616 176.314 174.700 -0.004 0.000 1.046 406 T CA 1.577 63.672 62.100 -0.008 0.000 1.139 406 T CB -0.671 68.189 68.868 -0.013 0.000 0.871 406 T HN 0.475 nan 8.240 nan 0.000 0.454 407 D N 2.074 122.522 120.400 0.081 0.000 2.149 407 D HA 0.020 4.660 4.640 0.000 0.000 0.198 407 D C 2.453 178.749 176.300 -0.007 0.000 0.990 407 D CA 1.486 55.513 54.000 0.045 0.000 0.839 407 D CB -0.664 40.184 40.800 0.079 0.000 0.948 407 D HN 0.599 nan 8.370 nan 0.000 0.460 408 A N 0.464 123.277 122.820 -0.012 0.000 1.930 408 A HA -0.112 4.208 4.320 0.000 0.000 0.217 408 A C 2.526 180.080 177.584 -0.051 0.000 1.175 408 A CA 1.034 53.053 52.037 -0.029 0.000 0.627 408 A CB -0.655 18.327 19.000 -0.029 0.000 0.815 408 A HN 0.142 nan 8.150 nan 0.000 0.443 409 V N -0.175 119.699 119.914 -0.068 0.000 2.295 409 V HA -0.213 3.907 4.120 0.000 0.000 0.246 409 V C 2.503 178.544 176.094 -0.089 0.000 1.049 409 V CA 1.780 64.024 62.300 -0.093 0.000 1.024 409 V CB -0.718 31.033 31.823 -0.120 0.000 0.648 409 V HN 0.469 nan 8.190 nan 0.000 0.447 410 L N 0.408 121.576 121.223 -0.090 0.000 2.042 410 L HA -0.135 4.206 4.340 0.000 0.000 0.210 410 L C 2.598 179.429 176.870 -0.064 0.000 1.076 410 L CA 2.404 57.189 54.840 -0.091 0.000 0.749 410 L CB -1.567 40.427 42.059 -0.109 0.000 0.893 410 L HN 0.325 nan 8.230 nan 0.000 0.432 411 A N -1.063 121.727 122.820 -0.050 0.000 1.930 411 A HA -0.212 4.108 4.320 0.000 0.000 0.217 411 A C 2.355 179.915 177.584 -0.039 0.000 1.175 411 A CA 1.663 53.678 52.037 -0.038 0.000 0.627 411 A CB -0.397 18.586 19.000 -0.029 0.000 0.815 411 A HN 0.283 nan 8.150 nan 0.000 0.443 412 K N 0.237 120.609 120.400 -0.046 0.000 2.097 412 K HA 0.026 4.346 4.320 0.000 0.000 0.206 412 K C 1.555 178.129 176.600 -0.043 0.000 1.049 412 K CA 1.387 57.647 56.287 -0.045 0.000 0.933 412 K CB -0.542 31.924 32.500 -0.056 0.000 0.717 412 K HN 0.460 nan 8.250 nan 0.000 0.442 413 L N -0.811 120.383 121.223 -0.049 0.000 2.395 413 L HA 0.125 4.465 4.340 0.000 0.000 0.218 413 L C 0.959 177.809 176.870 -0.033 0.000 1.130 413 L CA 0.524 55.339 54.840 -0.042 0.000 0.826 413 L CB -0.394 41.634 42.059 -0.051 0.000 0.941 413 L HN 0.559 nan 8.230 nan 0.000 0.451 414 G N 1.201 109.980 108.800 -0.035 0.000 2.246 414 G HA2 -0.230 3.730 3.960 0.000 0.000 0.273 414 G HA3 -0.230 3.730 3.960 0.000 0.000 0.273 414 G C 0.071 174.952 174.900 -0.031 0.000 1.055 414 G CA 0.387 45.470 45.100 -0.029 0.000 0.851 414 G HN 0.296 nan 8.290 nan 0.000 0.500 415 V N -2.783 117.106 119.914 -0.041 0.000 3.046 415 V HA 1.037 5.157 4.120 0.000 0.000 0.316 415 V C 0.879 176.939 176.094 -0.057 0.000 1.104 415 V CA -0.323 61.950 62.300 -0.044 0.000 1.006 415 V CB 1.761 33.556 31.823 -0.047 0.000 1.058 415 V HN 1.190 nan 8.190 nan 0.000 0.440 416 G N 0.324 109.093 108.800 -0.053 0.000 2.547 416 G HA2 0.581 4.541 3.960 0.000 0.000 0.291 416 G HA3 0.581 4.541 3.960 0.000 0.000 0.291 416 G C -1.423 173.416 174.900 -0.100 0.000 1.211 416 G CA -1.017 44.046 45.100 -0.061 0.000 0.950 416 G HN 0.683 nan 8.290 nan 0.000 0.504 417 P HA -0.054 nan 4.420 nan 0.000 0.223 417 P C 0.849 178.028 177.300 -0.201 0.000 1.151 417 P CA 0.966 63.928 63.100 -0.229 0.000 0.787 417 P CB 0.283 31.827 31.700 -0.260 0.000 0.788 418 E N 0.880 121.059 120.200 -0.035 0.000 2.265 418 E HA -0.077 4.273 4.350 0.000 0.000 0.196 418 E C 2.150 178.784 176.600 0.057 0.000 0.996 418 E CA 1.183 57.661 56.400 0.130 0.000 0.832 418 E CB -1.217 28.568 29.700 0.141 0.000 0.756 418 E HN 0.244 nan 8.360 nan 0.000 0.491 419 A N 0.887 123.674 122.820 -0.054 0.000 2.070 419 A HA -0.083 4.237 4.320 0.000 0.000 0.220 419 A C 2.009 179.519 177.584 -0.122 0.000 1.159 419 A CA 0.785 52.786 52.037 -0.060 0.000 0.656 419 A CB -0.563 18.394 19.000 -0.071 0.000 0.800 419 A HN 0.258 nan 8.150 nan 0.000 0.453 420 L N -1.752 119.292 121.223 -0.298 0.000 2.362 420 L HA -0.045 4.295 4.340 0.000 0.000 0.219 420 L C 0.228 176.856 176.870 -0.403 0.000 1.134 420 L CA 0.278 54.854 54.840 -0.440 0.000 0.807 420 L CB -0.301 41.336 42.059 -0.704 0.000 0.927 420 L HN 0.335 nan 8.230 nan 0.000 0.447 421 F N 0.685 120.618 119.950 -0.027 0.000 2.640 421 F HA 0.211 4.738 4.527 0.000 0.000 0.354 421 F C 0.717 176.562 175.800 0.076 0.000 1.213 421 F CA -0.389 57.651 58.000 0.065 0.000 1.314 421 F CB -0.404 38.658 39.000 0.103 0.000 1.679 421 F HN -0.027 nan 8.300 nan 0.000 0.622 422 S N -2.217 113.585 115.700 0.171 0.000 2.615 422 S HA 0.252 4.722 4.470 0.000 0.000 0.268 422 S C 0.512 175.188 174.600 0.127 0.000 1.146 422 S CA -0.698 57.594 58.200 0.153 0.000 0.818 422 S CB 1.141 64.407 63.200 0.109 0.000 1.111 422 S HN -0.004 nan 8.310 nan 0.000 0.465 423 T N 1.390 116.070 114.554 0.210 0.000 2.720 423 T HA -0.079 4.271 4.350 0.000 0.000 0.268 423 T C 1.692 176.518 174.700 0.210 0.000 1.037 423 T CA 1.573 63.809 62.100 0.228 0.000 1.144 423 T CB -0.482 68.684 68.868 0.498 0.000 0.864 423 T HN 0.529 nan 8.240 nan 0.000 0.444 424 L N 0.967 122.342 121.223 0.252 0.000 2.056 424 L HA -0.014 4.326 4.340 0.000 0.000 0.207 424 L C 2.622 179.513 176.870 0.036 0.000 1.078 424 L CA 2.099 57.032 54.840 0.154 0.000 0.749 424 L CB -1.425 40.745 42.059 0.185 0.000 0.901 424 L HN 0.387 nan 8.230 nan 0.000 0.433 425 G N -0.306 108.497 108.800 0.004 0.000 2.422 425 G HA2 -0.309 3.651 3.960 0.000 0.000 0.218 425 G HA3 -0.309 3.651 3.960 0.000 0.000 0.218 425 G C 1.771 176.608 174.900 -0.105 0.000 1.146 425 G CA 0.736 45.782 45.100 -0.091 0.000 0.769 425 G HN 0.378 nan 8.290 nan 0.000 0.547 426 R N -0.164 120.298 120.500 -0.064 0.000 2.081 426 R HA -0.067 4.273 4.340 0.000 0.000 0.235 426 R C 2.606 178.872 176.300 -0.056 0.000 1.131 426 R CA 1.835 57.884 56.100 -0.085 0.000 0.960 426 R CB -0.477 29.735 30.300 -0.146 0.000 0.856 426 R HN 0.320 nan 8.270 nan 0.000 0.436 427 T N 0.506 115.070 114.554 0.017 0.000 2.746 427 T HA -0.099 4.251 4.350 0.000 0.000 0.267 427 T C 1.803 176.486 174.700 -0.027 0.000 1.039 427 T CA 1.315 63.465 62.100 0.083 0.000 1.142 427 T CB -0.244 68.714 68.868 0.150 0.000 0.866 427 T HN 0.442 nan 8.240 nan 0.000 0.444 428 A N 1.448 124.216 122.820 -0.087 0.000 1.898 428 A HA 0.236 4.556 4.320 0.000 0.000 0.216 428 A C 2.662 180.145 177.584 -0.170 0.000 1.181 428 A CA 1.657 53.602 52.037 -0.154 0.000 0.620 428 A CB -1.082 17.828 19.000 -0.151 0.000 0.819 428 A HN 0.495 nan 8.150 nan 0.000 0.442 429 A N -0.127 122.598 122.820 -0.158 0.000 1.940 429 A HA -0.196 4.124 4.320 0.000 0.000 0.219 429 A C 2.227 179.722 177.584 -0.148 0.000 1.176 429 A CA 1.827 53.764 52.037 -0.167 0.000 0.631 429 A CB -0.515 18.379 19.000 -0.178 0.000 0.814 429 A HN 0.576 nan 8.150 nan 0.000 0.446 430 R N -0.581 119.828 120.500 -0.152 0.000 2.091 430 R HA -0.117 4.223 4.340 0.000 0.000 0.238 430 R C 2.229 178.446 176.300 -0.139 0.000 1.136 430 R CA 1.689 57.649 56.100 -0.235 0.000 0.959 430 R CB -0.682 29.464 30.300 -0.257 0.000 0.856 430 R HN 0.451 nan 8.270 nan 0.000 0.437 431 G N 0.873 109.567 108.800 -0.176 0.000 2.402 431 G HA2 -0.213 3.747 3.960 0.000 0.000 0.216 431 G HA3 -0.213 3.747 3.960 0.000 0.000 0.216 431 G C 1.470 176.224 174.900 -0.244 0.000 1.162 431 G CA 0.842 45.708 45.100 -0.389 0.000 0.777 431 G HN 0.277 nan 8.290 nan 0.000 0.539 432 I N 1.029 121.490 120.570 -0.182 0.000 2.163 432 I HA -0.219 3.951 4.170 0.000 0.000 0.243 432 I C 2.770 178.870 176.117 -0.028 0.000 1.085 432 I CA 1.848 63.081 61.300 -0.112 0.000 1.347 432 I CB -0.189 37.740 38.000 -0.119 0.000 1.044 432 I HN 0.413 nan 8.210 nan 0.000 0.408 433 E N 0.601 120.797 120.200 -0.006 0.000 2.152 433 E HA -0.181 4.169 4.350 0.000 0.000 0.192 433 E C 1.913 178.640 176.600 0.212 0.000 0.983 433 E CA 1.665 58.111 56.400 0.077 0.000 0.818 433 E CB -0.080 29.648 29.700 0.046 0.000 0.758 433 E HN 0.405 nan 8.360 nan 0.000 0.467 434 T N 0.910 115.625 114.554 0.269 0.000 2.708 434 T HA -0.112 4.238 4.350 0.000 0.000 0.266 434 T C 1.960 176.785 174.700 0.210 0.000 1.037 434 T CA 1.522 63.830 62.100 0.346 0.000 1.146 434 T CB -0.320 68.820 68.868 0.452 0.000 0.865 434 T HN 0.393 nan 8.240 nan 0.000 0.435 435 A N 0.898 123.774 122.820 0.093 0.000 1.898 435 A HA -0.018 4.302 4.320 0.000 0.000 0.216 435 A C 2.598 180.260 177.584 0.129 0.000 1.181 435 A CA 1.244 53.322 52.037 0.068 0.000 0.620 435 A CB -0.966 18.022 19.000 -0.021 0.000 0.819 435 A HN 0.349 nan 8.150 nan 0.000 0.442 436 V N 0.155 120.164 119.914 0.158 0.000 2.358 436 V HA -0.239 3.881 4.120 0.000 0.000 0.246 436 V C 2.400 178.656 176.094 0.269 0.000 1.047 436 V CA 1.965 64.407 62.300 0.236 0.000 1.035 436 V CB -0.624 31.373 31.823 0.290 0.000 0.658 436 V HN 0.566 nan 8.190 nan 0.000 0.452 437 I N 0.407 121.132 120.570 0.259 0.000 2.315 437 I HA -0.200 3.970 4.170 0.000 0.000 0.248 437 I C 2.640 178.849 176.117 0.153 0.000 1.117 437 I CA 1.296 62.688 61.300 0.154 0.000 1.404 437 I CB -0.555 37.502 38.000 0.096 0.000 1.071 437 I HN 0.278 nan 8.210 nan 0.000 0.419 438 A N 0.385 123.344 122.820 0.232 0.000 1.902 438 A HA -0.279 4.042 4.320 0.000 0.000 0.217 438 A C 2.321 180.157 177.584 0.421 0.000 1.181 438 A CA 2.046 54.287 52.037 0.339 0.000 0.623 438 A CB -0.613 18.534 19.000 0.245 0.000 0.818 438 A HN 0.506 nan 8.150 nan 0.000 0.443 439 E N -1.834 118.529 120.200 0.272 0.000 2.072 439 E HA -0.220 4.130 4.350 0.000 0.000 0.191 439 E C 1.833 178.527 176.600 0.156 0.000 0.985 439 E CA 1.217 57.775 56.400 0.262 0.000 0.801 439 E CB -0.306 29.508 29.700 0.190 0.000 0.750 439 E HN 0.668 nan 8.360 nan 0.000 0.452 440 Y N 0.656 120.879 120.300 -0.128 0.000 2.293 440 Y HA -0.151 4.399 4.550 0.000 0.000 0.291 440 Y C 1.962 177.589 175.900 -0.456 0.000 1.137 440 Y CA 0.838 58.670 58.100 -0.447 0.000 1.202 440 Y CB -0.210 37.689 38.460 -0.936 0.000 0.990 440 Y HN -0.084 nan 8.280 nan 0.000 0.537 441 V N -0.203 119.453 119.914 -0.430 0.000 2.380 441 V HA -0.326 3.794 4.120 0.000 0.000 0.251 441 V C 2.574 178.153 176.094 -0.859 0.000 1.063 441 V CA 2.007 63.941 62.300 -0.611 0.000 1.055 441 V CB -1.484 30.056 31.823 -0.472 0.000 0.657 441 V HN 0.602 nan 8.190 nan 0.000 0.455 442 G N -0.549 107.750 108.800 -0.835 0.000 2.408 442 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 442 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 442 G C 1.638 176.267 174.900 -0.452 0.000 1.150 442 G CA 1.135 45.745 45.100 -0.815 0.000 0.776 442 G HN 0.401 nan 8.290 nan 0.000 0.542 443 V N 1.172 120.835 119.914 -0.419 0.000 2.295 443 V HA -0.211 3.909 4.120 0.000 0.000 0.246 443 V C 2.904 178.710 176.094 -0.480 0.000 1.049 443 V CA 2.054 64.125 62.300 -0.381 0.000 1.024 443 V CB -0.479 31.141 31.823 -0.338 0.000 0.648 443 V HN 0.356 nan 8.190 nan 0.000 0.447 444 M N -0.893 118.263 119.600 -0.740 0.000 2.108 444 M HA -0.219 4.261 4.480 0.000 0.000 0.261 444 M C 2.274 178.334 176.300 -0.400 0.000 1.066 444 M CA 1.866 56.848 55.300 -0.530 0.000 1.107 444 M CB -0.467 31.782 32.600 -0.586 0.000 1.356 444 M HN 0.299 nan 8.290 nan 0.000 0.406 445 L N -0.082 120.902 121.223 -0.399 0.000 2.046 445 L HA -0.255 4.085 4.340 0.000 0.000 0.208 445 L C 2.549 179.291 176.870 -0.214 0.000 1.077 445 L CA 1.653 56.339 54.840 -0.257 0.000 0.747 445 L CB -0.381 41.504 42.059 -0.290 0.000 0.896 445 L HN 0.335 nan 8.230 nan 0.000 0.432 446 Q N 0.427 120.085 119.800 -0.237 0.000 2.084 446 Q HA -0.236 4.104 4.340 0.000 0.000 0.202 446 Q C 1.911 177.774 176.000 -0.227 0.000 0.978 446 Q CA 1.826 57.518 55.803 -0.185 0.000 0.844 446 Q CB -0.033 28.622 28.738 -0.139 0.000 0.898 446 Q HN 0.485 nan 8.270 nan 0.000 0.426 447 E N -1.252 118.772 120.200 -0.294 0.000 2.110 447 E HA -0.209 4.141 4.350 0.000 0.000 0.193 447 E C 1.732 177.962 176.600 -0.617 0.000 0.988 447 E CA 1.093 57.283 56.400 -0.351 0.000 0.804 447 E CB -0.299 29.250 29.700 -0.252 0.000 0.745 447 E HN 0.541 nan 8.360 nan 0.000 0.458 448 Y N 1.943 121.655 120.300 -0.979 0.000 2.114 448 Y HA -0.239 4.311 4.550 0.000 0.000 0.284 448 Y C 2.103 177.744 175.900 -0.431 0.000 1.143 448 Y CA 1.480 59.037 58.100 -0.905 0.000 1.135 448 Y CB 0.159 38.202 38.460 -0.696 0.000 0.980 448 Y HN -0.159 nan 8.280 nan 0.000 0.499 449 K N 0.097 120.239 120.400 -0.430 0.000 2.074 449 K HA -0.215 4.105 4.320 0.000 0.000 0.209 449 K C 1.523 177.957 176.600 -0.276 0.000 1.048 449 K CA 1.838 57.898 56.287 -0.379 0.000 0.926 449 K CB -0.229 32.138 32.500 -0.222 0.000 0.713 449 K HN 0.391 nan 8.250 nan 0.000 0.444 450 D N 0.153 120.420 120.400 -0.221 0.000 2.144 450 D HA -0.160 4.480 4.640 0.000 0.000 0.199 450 D C 1.573 177.801 176.300 -0.120 0.000 0.984 450 D CA 0.860 54.776 54.000 -0.141 0.000 0.834 450 D CB -0.337 40.400 40.800 -0.104 0.000 0.955 450 D HN 0.263 nan 8.370 nan 0.000 0.465 451 N N 0.476 119.091 118.700 -0.142 0.000 2.171 451 N HA -0.086 4.654 4.740 0.000 0.000 0.184 451 N C 2.000 177.464 175.510 -0.077 0.000 1.021 451 N CA 0.480 53.501 53.050 -0.047 0.000 0.854 451 N CB 0.067 38.595 38.487 0.069 0.000 0.994 451 N HN 0.108 nan 8.380 nan 0.000 0.426 452 I N 1.371 121.828 120.570 -0.187 0.000 2.208 452 I HA -0.236 3.934 4.170 0.000 0.000 0.245 452 I C 2.465 178.512 176.117 -0.116 0.000 1.097 452 I CA 1.083 62.276 61.300 -0.178 0.000 1.363 452 I CB -0.319 37.486 38.000 -0.325 0.000 1.051 452 I HN 0.166 nan 8.210 nan 0.000 0.413 453 A N 0.707 123.455 122.820 -0.122 0.000 2.070 453 A HA -0.177 4.143 4.320 0.000 0.000 0.220 453 A C 2.118 179.672 177.584 -0.050 0.000 1.159 453 A CA 1.277 53.266 52.037 -0.081 0.000 0.656 453 A CB -0.416 18.535 19.000 -0.081 0.000 0.800 453 A HN 0.390 nan 8.150 nan 0.000 0.453 454 K N -1.205 119.170 120.400 -0.041 0.000 2.525 454 K HA 0.186 4.506 4.320 0.000 0.000 0.192 454 K C 1.029 177.622 176.600 -0.012 0.000 1.029 454 K CA 0.481 56.757 56.287 -0.019 0.000 1.029 454 K CB -0.112 32.385 32.500 -0.005 0.000 0.814 454 K HN 0.660 nan 8.250 nan 0.000 0.503 455 G N 2.445 111.233 108.800 -0.019 0.000 2.144 455 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 455 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 455 G C -0.551 174.352 174.900 0.006 0.000 0.988 455 G CA -0.033 45.063 45.100 -0.008 0.000 0.659 455 G HN 0.377 nan 8.290 nan 0.000 0.522 456 D N 1.093 121.498 120.400 0.009 0.000 2.365 456 D HA 0.333 4.973 4.640 0.000 0.000 0.237 456 D C 1.283 177.605 176.300 0.036 0.000 1.190 456 D CA -0.109 53.911 54.000 0.033 0.000 0.867 456 D CB -0.533 40.298 40.800 0.052 0.000 1.050 456 D HN 0.589 nan 8.370 nan 0.000 0.491 457 N N 2.151 120.881 118.700 0.051 0.000 2.234 457 N HA 0.089 4.829 4.740 0.000 0.000 0.227 457 N C -0.612 174.968 175.510 0.116 0.000 1.151 457 N CA -0.564 52.529 53.050 0.071 0.000 0.865 457 N CB 0.713 39.243 38.487 0.072 0.000 1.066 457 N HN -0.008 nan 8.380 nan 0.000 0.515 458 V N 2.197 122.172 119.914 0.102 0.000 2.509 458 V HA 0.211 4.331 4.120 0.000 0.000 0.284 458 V C 1.091 177.230 176.094 0.075 0.000 1.047 458 V CA -0.521 61.846 62.300 0.112 0.000 0.952 458 V CB 1.176 33.057 31.823 0.095 0.000 0.988 458 V HN 0.405 nan 8.190 nan 0.000 0.469 459 I N 0.733 121.323 120.570 0.033 0.000 4.526 459 I HA 0.480 4.650 4.170 0.000 0.000 0.330 459 I C 0.335 176.433 176.117 -0.031 0.000 1.323 459 I CA 0.134 61.403 61.300 -0.053 0.000 1.218 459 I CB 0.791 38.650 38.000 -0.234 0.000 1.233 459 I HN 0.567 nan 8.210 nan 0.000 0.430 460 C N 2.145 121.467 119.300 0.037 0.000 2.783 460 C HA 0.864 5.324 4.460 0.000 0.000 0.312 460 C C -0.091 174.975 174.990 0.126 0.000 1.182 460 C CA -0.051 59.015 59.018 0.080 0.000 1.432 460 C CB 1.155 28.955 27.740 0.099 0.000 1.933 460 C HN 0.500 nan 8.230 nan 0.000 0.473 461 A N 6.275 129.186 122.820 0.152 0.000 2.340 461 A HA 0.948 5.269 4.320 0.000 0.000 0.331 461 A C -2.695 175.042 177.584 0.254 0.000 1.140 461 A CA -1.107 51.033 52.037 0.172 0.000 0.801 461 A CB 0.963 20.059 19.000 0.160 0.000 1.234 461 A HN 0.758 nan 8.150 nan 0.000 0.469 462 P HA 0.423 nan 4.420 nan 0.000 0.276 462 P C -0.859 176.599 177.300 0.264 0.000 1.244 462 P CA -0.021 63.172 63.100 0.155 0.000 0.801 462 P CB 0.611 32.341 31.700 0.051 0.000 1.006 463 W N -0.530 120.797 121.300 0.045 0.000 3.005 463 W HA 0.535 5.195 4.660 0.000 0.000 0.343 463 W C -1.541 175.002 176.519 0.040 0.000 1.243 463 W CA -0.782 56.591 57.345 0.047 0.000 1.186 463 W CB 0.937 30.427 29.460 0.050 0.000 1.453 463 W HN 0.305 nan 8.180 nan 0.000 0.575 464 E N 1.406 121.756 120.200 0.249 0.000 2.293 464 E HA 0.367 4.717 4.350 0.000 0.000 0.270 464 E C -1.086 175.699 176.600 0.308 0.000 0.879 464 E CA -1.376 55.050 56.400 0.045 0.000 0.756 464 E CB 3.179 32.898 29.700 0.033 0.000 1.208 464 E HN 0.294 nan 8.360 nan 0.000 0.428 465 M N 4.742 124.466 119.600 0.207 0.000 2.184 465 M HA 0.213 4.693 4.480 0.000 0.000 0.351 465 M C -2.319 174.086 176.300 0.175 0.000 1.395 465 M CA -1.607 53.890 55.300 0.329 0.000 1.117 465 M CB 0.416 33.181 32.600 0.275 0.000 1.708 465 M HN 0.192 nan 8.290 nan 0.000 0.468 466 P HA 0.186 nan 4.420 nan 0.000 0.274 466 P C -0.443 176.902 177.300 0.075 0.000 1.231 466 P CA -0.301 62.855 63.100 0.094 0.000 0.790 466 P CB 0.822 32.570 31.700 0.081 0.000 0.951 467 K N 0.201 120.630 120.400 0.050 0.000 2.103 467 K HA -0.040 4.280 4.320 0.000 0.000 0.204 467 K C 0.969 177.587 176.600 0.030 0.000 1.052 467 K CA 1.184 57.494 56.287 0.039 0.000 0.945 467 K CB 0.120 32.636 32.500 0.026 0.000 0.722 467 K HN 0.568 nan 8.250 nan 0.000 0.443 468 Q N -0.812 119.000 119.800 0.019 0.000 2.323 468 Q HA 0.556 4.896 4.340 0.000 0.000 0.271 468 Q C -1.776 174.218 176.000 -0.010 0.000 1.048 468 Q CA -0.542 55.261 55.803 0.000 0.000 0.792 468 Q CB 2.199 30.930 28.738 -0.011 0.000 1.280 468 Q HN 0.143 nan 8.270 nan 0.000 0.441 469 A N 2.865 125.668 122.820 -0.029 0.000 2.586 469 A HA 0.540 4.860 4.320 0.000 0.000 0.291 469 A C -1.877 175.644 177.584 -0.106 0.000 1.062 469 A CA -0.838 51.169 52.037 -0.050 0.000 0.666 469 A CB 1.460 20.457 19.000 -0.004 0.000 1.281 469 A HN 0.786 nan 8.150 nan 0.000 0.421 470 E N 0.483 120.578 120.200 -0.174 0.000 2.238 470 E HA 0.742 5.092 4.350 0.000 0.000 0.267 470 E C -0.038 176.536 176.600 -0.043 0.000 0.887 470 E CA -0.719 55.510 56.400 -0.285 0.000 0.769 470 E CB 2.284 31.461 29.700 -0.872 0.000 1.187 470 E HN 1.279 nan 8.360 nan 0.000 0.416 471 G N 0.560 109.471 108.800 0.185 0.000 2.690 471 G HA2 0.538 4.498 3.960 0.000 0.000 0.293 471 G HA3 0.538 4.498 3.960 0.000 0.000 0.293 471 G C -1.672 173.350 174.900 0.204 0.000 1.399 471 G CA -0.674 44.535 45.100 0.181 0.000 0.890 471 G HN 0.527 nan 8.290 nan 0.000 0.485 472 V N -0.297 119.527 119.914 -0.150 0.000 2.888 472 V HA 0.934 5.055 4.120 0.000 0.000 0.309 472 V C -0.158 175.445 176.094 -0.818 0.000 1.114 472 V CA 0.152 61.984 62.300 -0.780 0.000 0.940 472 V CB 2.154 33.137 31.823 -1.400 0.000 1.021 472 V HN 1.487 nan 8.190 nan 0.000 0.426 473 G N 4.387 112.604 108.800 -0.973 0.000 2.566 473 G HA2 0.731 4.691 3.960 0.000 0.000 0.311 473 G HA3 0.731 4.691 3.960 0.000 0.000 0.311 473 G C -1.668 172.679 174.900 -0.921 0.000 1.322 473 G CA -0.486 44.166 45.100 -0.747 0.000 0.969 473 G HN 0.543 nan 8.290 nan 0.000 0.490 474 F N 1.289 121.039 119.950 -0.333 0.000 2.482 474 F HA 0.600 5.127 4.527 0.000 0.000 0.331 474 F C -0.005 175.711 175.800 -0.139 0.000 1.115 474 F CA -0.907 56.958 58.000 -0.225 0.000 0.955 474 F CB 2.850 41.688 39.000 -0.270 0.000 1.136 474 F HN 0.225 nan 8.300 nan 0.000 0.452 475 V N 3.014 123.001 119.914 0.122 0.000 2.638 475 V HA 0.294 4.415 4.120 0.000 0.000 0.306 475 V C -0.665 175.467 176.094 0.063 0.000 1.052 475 V CA -1.038 61.257 62.300 -0.008 0.000 0.885 475 V CB 2.029 33.743 31.823 -0.181 0.000 0.999 475 V HN 0.717 nan 8.190 nan 0.000 0.424 476 N N 3.109 121.824 118.700 0.025 0.000 2.500 476 N HA 0.508 5.248 4.740 0.000 0.000 0.236 476 N C -0.069 175.456 175.510 0.025 0.000 1.022 476 N CA -0.027 53.027 53.050 0.006 0.000 0.935 476 N CB 1.655 40.165 38.487 0.039 0.000 1.147 476 N HN 0.881 nan 8.380 nan 0.000 0.512 477 A N 4.338 127.098 122.820 -0.101 0.000 2.246 477 A HA 0.433 4.753 4.320 0.000 0.000 0.291 477 A C -1.429 175.925 177.584 -0.384 0.000 1.103 477 A CA -1.191 50.699 52.037 -0.244 0.000 0.844 477 A CB 0.091 18.962 19.000 -0.215 0.000 1.136 477 A HN 0.432 nan 8.150 nan 0.000 0.500 478 P HA -0.105 nan 4.420 nan 0.000 0.220 478 P C 0.825 178.110 177.300 -0.025 0.000 1.144 478 P CA 1.333 64.122 63.100 -0.518 0.000 0.800 478 P CB 0.105 31.491 31.700 -0.524 0.000 0.772 479 R N -1.974 118.499 120.500 -0.046 0.000 2.362 479 R HA 0.426 4.766 4.340 0.000 0.000 0.227 479 R C 1.044 177.341 176.300 -0.005 0.000 0.905 479 R CA 0.381 56.493 56.100 0.020 0.000 1.067 479 R CB 0.485 30.813 30.300 0.046 0.000 1.078 479 R HN 0.177 nan 8.270 nan 0.000 0.516 480 G N -0.264 108.496 108.800 -0.066 0.000 2.297 480 G HA2 -0.110 3.850 3.960 0.000 0.000 0.209 480 G HA3 -0.110 3.850 3.960 0.000 0.000 0.209 480 G C -0.682 174.048 174.900 -0.284 0.000 1.267 480 G CA -0.774 44.230 45.100 -0.161 0.000 1.127 480 G HN 0.194 nan 8.290 nan 0.000 0.498 481 G N -0.142 108.290 108.800 -0.613 0.000 2.356 481 G HA2 0.620 4.580 3.960 0.000 0.000 0.273 481 G HA3 0.620 4.580 3.960 0.000 0.000 0.273 481 G C -0.321 174.319 174.900 -0.433 0.000 1.213 481 G CA 0.497 44.892 45.100 -1.175 0.000 0.955 481 G HN 1.390 nan 8.290 nan 0.000 0.454 482 L N 3.440 124.685 121.223 0.037 0.000 2.307 482 L HA 0.774 5.115 4.340 0.000 0.000 0.284 482 L C 0.118 177.244 176.870 0.427 0.000 1.023 482 L CA -0.585 54.394 54.840 0.232 0.000 0.810 482 L CB 1.920 43.966 42.059 -0.023 0.000 1.231 482 L HN 0.491 nan 8.230 nan 0.000 0.423 483 S N 2.541 118.503 115.700 0.436 0.000 2.547 483 S HA 0.617 5.087 4.470 0.000 0.000 0.281 483 S C -0.913 173.762 174.600 0.125 0.000 1.118 483 S CA -0.760 57.480 58.200 0.067 0.000 0.947 483 S CB 1.013 64.266 63.200 0.088 0.000 1.053 483 S HN 0.766 nan 8.310 nan 0.000 0.482 484 H N 0.520 119.309 119.070 -0.468 0.000 2.495 484 H HA 0.465 5.022 4.556 0.000 0.000 0.348 484 H C -1.557 173.319 175.328 -0.753 0.000 1.113 484 H CA -0.707 55.132 56.048 -0.347 0.000 1.195 484 H CB 1.308 31.002 29.762 -0.112 0.000 1.521 484 H HN 0.615 nan 8.280 nan 0.000 0.509 485 W N 3.997 124.949 121.300 -0.579 0.000 2.715 485 W HA 0.472 5.132 4.660 0.000 0.000 0.331 485 W C -0.745 175.447 176.519 -0.545 0.000 1.031 485 W CA -0.523 56.517 57.345 -0.508 0.000 1.237 485 W CB 1.219 30.359 29.460 -0.534 0.000 1.378 485 W HN 0.326 nan 8.180 nan 0.000 0.454 486 I N 3.746 124.296 120.570 -0.034 0.000 2.569 486 I HA 0.520 4.690 4.170 0.000 0.000 0.296 486 I C -0.416 175.796 176.117 0.158 0.000 1.028 486 I CA -1.303 59.954 61.300 -0.072 0.000 1.082 486 I CB 1.405 39.349 38.000 -0.094 0.000 1.264 486 I HN 0.406 nan 8.210 nan 0.000 0.429 487 R N 8.610 129.174 120.500 0.107 0.000 2.310 487 R HA 0.502 4.842 4.340 0.000 0.000 0.324 487 R C -1.671 174.654 176.300 0.041 0.000 0.955 487 R CA -0.532 55.585 56.100 0.029 0.000 0.830 487 R CB 0.876 31.191 30.300 0.025 0.000 1.154 487 R HN 0.643 nan 8.270 nan 0.000 0.458 488 I N 3.337 123.919 120.570 0.020 0.000 2.365 488 I HA 0.208 4.378 4.170 0.000 0.000 0.291 488 I C -0.167 175.962 176.117 0.021 0.000 1.004 488 I CA -0.399 60.925 61.300 0.039 0.000 1.311 488 I CB 1.633 39.662 38.000 0.048 0.000 1.401 488 I HN 0.589 nan 8.210 nan 0.000 0.491 489 E N 5.378 125.596 120.200 0.029 0.000 2.263 489 E HA 0.205 4.555 4.350 0.000 0.000 0.268 489 E C -0.497 176.119 176.600 0.026 0.000 0.884 489 E CA -0.405 56.007 56.400 0.019 0.000 0.766 489 E CB 1.054 30.764 29.700 0.015 0.000 1.196 489 E HN 0.517 nan 8.360 nan 0.000 0.416 490 D N 3.829 124.243 120.400 0.023 0.000 2.811 490 D HA -0.206 4.434 4.640 0.000 0.000 0.231 490 D C 0.752 177.074 176.300 0.036 0.000 1.157 490 D CA 2.489 56.505 54.000 0.025 0.000 0.716 490 D CB -1.180 39.633 40.800 0.021 0.000 1.077 490 D HN 1.050 nan 8.370 nan 0.000 0.428 491 G N -1.229 107.599 108.800 0.045 0.000 2.168 491 G HA2 -0.338 3.622 3.960 0.000 0.000 0.263 491 G HA3 -0.338 3.622 3.960 0.000 0.000 0.263 491 G C 0.373 175.314 174.900 0.070 0.000 0.977 491 G CA 0.939 46.078 45.100 0.064 0.000 0.659 491 G HN 0.530 nan 8.290 nan 0.000 0.533 492 K N -0.334 120.100 120.400 0.056 0.000 2.306 492 K HA 0.607 4.928 4.320 0.000 0.000 0.236 492 K C 0.523 177.160 176.600 0.061 0.000 1.013 492 K CA -1.224 55.095 56.287 0.053 0.000 0.857 492 K CB 1.406 33.928 32.500 0.036 0.000 1.214 492 K HN 0.148 nan 8.250 nan 0.000 0.449 493 I N 2.195 122.800 120.570 0.059 0.000 2.483 493 I HA -0.046 4.124 4.170 0.000 0.000 0.291 493 I C 1.506 177.666 176.117 0.071 0.000 1.112 493 I CA 0.297 61.651 61.300 0.090 0.000 1.350 493 I CB 0.338 38.389 38.000 0.085 0.000 1.419 493 I HN 0.823 nan 8.210 nan 0.000 0.523 494 G N 5.549 114.393 108.800 0.074 0.000 2.411 494 G HA2 -0.098 3.862 3.960 0.000 0.000 0.213 494 G HA3 -0.098 3.862 3.960 0.000 0.000 0.213 494 G C 0.569 175.512 174.900 0.072 0.000 1.166 494 G CA 0.400 45.534 45.100 0.056 0.000 0.802 494 G HN 0.543 nan 8.290 nan 0.000 0.533 495 N N -1.667 117.095 118.700 0.103 0.000 2.308 495 N HA 0.451 5.191 4.740 0.000 0.000 0.283 495 N C -2.417 173.201 175.510 0.180 0.000 1.105 495 N CA -0.901 52.222 53.050 0.121 0.000 0.840 495 N CB 1.941 40.487 38.487 0.100 0.000 1.633 495 N HN -0.075 nan 8.380 nan 0.000 0.476 496 F N 2.117 122.093 119.950 0.043 0.000 2.562 496 F HA 0.465 4.992 4.527 0.000 0.000 0.319 496 F C -1.030 174.779 175.800 0.016 0.000 1.154 496 F CA -0.387 57.634 58.000 0.035 0.000 0.931 496 F CB 1.346 40.329 39.000 -0.029 0.000 1.198 496 F HN 0.240 nan 8.300 nan 0.000 0.444 497 Q N 6.650 126.448 119.800 -0.004 0.000 2.337 497 Q HA 0.510 4.850 4.340 0.000 0.000 0.270 497 Q C -1.195 174.834 176.000 0.049 0.000 1.043 497 Q CA -0.702 55.131 55.803 0.051 0.000 0.794 497 Q CB 3.135 31.836 28.738 -0.061 0.000 1.281 497 Q HN 0.672 nan 8.270 nan 0.000 0.446 498 L N 2.050 123.264 121.223 -0.015 0.000 2.295 498 L HA 0.594 4.934 4.340 0.000 0.000 0.285 498 L C -0.284 176.601 176.870 0.025 0.000 1.035 498 L CA -1.017 53.734 54.840 -0.148 0.000 0.806 498 L CB 1.425 43.067 42.059 -0.695 0.000 1.214 498 L HN 0.202 nan 8.230 nan 0.000 0.426 499 V N 4.558 124.607 119.914 0.225 0.000 2.376 499 V HA 0.418 4.538 4.120 0.000 0.000 0.287 499 V C 0.065 176.370 176.094 0.351 0.000 1.015 499 V CA -0.535 61.907 62.300 0.238 0.000 0.834 499 V CB 2.052 34.034 31.823 0.265 0.000 1.001 499 V HN 0.468 nan 8.190 nan 0.000 0.428 500 V N 7.046 127.144 119.914 0.307 0.000 2.769 500 V HA 0.421 4.541 4.120 0.000 0.000 0.312 500 V C -1.401 174.909 176.094 0.360 0.000 1.058 500 V CA -1.685 60.820 62.300 0.342 0.000 0.952 500 V CB 2.289 34.329 31.823 0.361 0.000 1.019 500 V HN 0.559 nan 8.190 nan 0.000 0.445 501 P HA -0.127 nan 4.420 nan 0.000 0.215 501 P C 1.567 179.023 177.300 0.260 0.000 1.157 501 P CA 1.484 64.736 63.100 0.252 0.000 0.874 501 P CB 0.196 31.943 31.700 0.078 0.000 0.790 502 S N -0.980 114.843 115.700 0.206 0.000 2.447 502 S HA -0.084 4.386 4.470 0.000 0.000 0.233 502 S C 1.813 176.507 174.600 0.156 0.000 1.006 502 S CA 1.562 59.863 58.200 0.168 0.000 0.957 502 S CB -1.174 62.120 63.200 0.157 0.000 0.773 502 S HN 0.327 nan 8.310 nan 0.000 0.507 503 T N 0.744 115.401 114.554 0.173 0.000 2.708 503 T HA -0.142 4.208 4.350 0.000 0.000 0.266 503 T C 1.337 176.053 174.700 0.026 0.000 1.037 503 T CA 1.202 63.348 62.100 0.077 0.000 1.146 503 T CB -0.449 68.441 68.868 0.037 0.000 0.865 503 T HN 0.543 nan 8.240 nan 0.000 0.435 504 W N 1.581 122.916 121.300 0.059 0.000 2.333 504 W HA -0.142 4.518 4.660 0.000 0.000 0.316 504 W C 2.875 179.378 176.519 -0.026 0.000 1.215 504 W CA 1.361 58.722 57.345 0.026 0.000 1.278 504 W CB -0.942 28.523 29.460 0.008 0.000 1.154 504 W HN 0.162 nan 8.180 nan 0.000 0.486 505 T N -0.249 114.422 114.554 0.194 0.000 2.937 505 T HA -0.002 4.348 4.350 0.000 0.000 0.260 505 T C 1.455 176.075 174.700 -0.134 0.000 1.051 505 T CA 0.744 62.840 62.100 -0.006 0.000 1.141 505 T CB -0.085 68.782 68.868 -0.002 0.000 0.879 505 T HN -0.130 nan 8.240 nan 0.000 0.459 506 L N 0.530 121.726 121.223 -0.044 0.000 2.858 506 L HA 0.370 4.710 4.340 0.000 0.000 0.251 506 L C 1.426 178.295 176.870 -0.001 0.000 1.149 506 L CA 0.096 54.906 54.840 -0.050 0.000 0.955 506 L CB -0.937 41.120 42.059 -0.003 0.000 1.289 506 L HN 0.183 nan 8.230 nan 0.000 0.542 507 G N 1.670 110.471 108.800 0.000 0.000 2.684 507 G HA2 0.279 4.239 3.960 0.000 0.000 0.255 507 G HA3 0.279 4.239 3.960 0.000 0.000 0.255 507 G C -2.235 172.643 174.900 -0.037 0.000 1.219 507 G CA -0.373 44.714 45.100 -0.022 0.000 0.901 507 G HN 0.008 nan 8.290 nan 0.000 0.548 508 P HA 0.225 nan 4.420 nan 0.000 0.312 508 P C -0.121 177.151 177.300 -0.046 0.000 1.308 508 P CA -0.705 62.327 63.100 -0.113 0.000 0.743 508 P CB 0.962 32.301 31.700 -0.602 0.000 1.364 509 R N -1.114 119.385 120.500 -0.002 0.000 2.784 509 R HA 0.169 4.509 4.340 0.000 0.000 0.266 509 R C 0.606 176.951 176.300 0.074 0.000 1.044 509 R CA -0.099 55.983 56.100 -0.030 0.000 1.151 509 R CB -0.336 29.833 30.300 -0.218 0.000 1.037 509 R HN 0.619 nan 8.270 nan 0.000 0.478 510 C N -0.593 118.715 119.300 0.014 0.000 2.484 510 C HA 0.337 4.797 4.460 0.000 0.000 0.409 510 C C 1.350 176.377 174.990 0.062 0.000 1.434 510 C CA -0.603 58.346 59.018 -0.116 0.000 1.913 510 C CB 0.740 28.096 27.740 -0.640 0.000 2.028 510 C HN 0.948 nan 8.230 nan 0.000 0.516 511 D N -0.622 119.800 120.400 0.036 0.000 2.378 511 D HA -0.065 4.575 4.640 0.000 0.000 0.227 511 D C 1.076 177.418 176.300 0.071 0.000 1.012 511 D CA 0.793 54.852 54.000 0.100 0.000 0.905 511 D CB -0.617 40.288 40.800 0.174 0.000 0.895 511 D HN 0.729 nan 8.370 nan 0.000 0.532 512 K N -0.091 120.316 120.400 0.010 0.000 2.372 512 K HA 0.178 4.498 4.320 0.000 0.000 0.200 512 K C -0.172 176.447 176.600 0.031 0.000 1.022 512 K CA -0.136 56.162 56.287 0.018 0.000 1.125 512 K CB -0.101 32.393 32.500 -0.010 0.000 0.855 512 K HN 0.063 nan 8.250 nan 0.000 0.524 513 N N 1.435 120.182 118.700 0.078 0.000 2.741 513 N HA -0.187 4.553 4.740 0.000 0.000 0.251 513 N C -1.143 174.350 175.510 -0.028 0.000 1.112 513 N CA 0.449 53.533 53.050 0.056 0.000 0.750 513 N CB -0.748 37.778 38.487 0.066 0.000 1.119 513 N HN 0.185 nan 8.380 nan 0.000 0.561 514 K N 1.054 121.432 120.400 -0.037 0.000 2.322 514 K HA 0.238 4.558 4.320 0.000 0.000 0.283 514 K C 0.121 176.686 176.600 -0.058 0.000 1.042 514 K CA -0.512 55.749 56.287 -0.044 0.000 0.958 514 K CB 0.829 33.309 32.500 -0.035 0.000 0.984 514 K HN 0.003 nan 8.250 nan 0.000 0.473 515 L N 2.575 123.758 121.223 -0.067 0.000 2.490 515 L HA -0.047 4.293 4.340 0.000 0.000 0.274 515 L C 0.905 177.745 176.870 -0.051 0.000 1.201 515 L CA 0.582 55.375 54.840 -0.078 0.000 0.869 515 L CB 0.428 42.428 42.059 -0.099 0.000 1.123 515 L HN 0.742 nan 8.230 nan 0.000 0.484 516 S N 3.308 118.980 115.700 -0.047 0.000 2.596 516 S HA 0.280 4.750 4.470 0.000 0.000 0.260 516 S C -1.772 172.786 174.600 -0.070 0.000 1.336 516 S CA -0.924 57.251 58.200 -0.041 0.000 0.993 516 S CB 0.377 63.552 63.200 -0.040 0.000 0.923 516 S HN 0.514 nan 8.310 nan 0.000 0.567 517 P HA -0.114 nan 4.420 nan 0.000 0.215 517 P C 1.721 178.888 177.300 -0.222 0.000 1.157 517 P CA 0.772 63.801 63.100 -0.119 0.000 0.874 517 P CB -0.138 31.483 31.700 -0.133 0.000 0.790 518 V N -0.038 119.613 119.914 -0.438 0.000 2.358 518 V HA -0.260 3.860 4.120 0.000 0.000 0.246 518 V C 2.076 178.104 176.094 -0.109 0.000 1.047 518 V CA 1.996 64.024 62.300 -0.453 0.000 1.035 518 V CB -0.903 30.638 31.823 -0.471 0.000 0.658 518 V HN 0.091 nan 8.190 nan 0.000 0.452 519 E N 0.318 120.461 120.200 -0.095 0.000 2.031 519 E HA -0.201 4.149 4.350 0.000 0.000 0.193 519 E C 2.302 178.871 176.600 -0.050 0.000 0.994 519 E CA 1.464 57.818 56.400 -0.077 0.000 0.800 519 E CB -0.454 29.178 29.700 -0.113 0.000 0.752 519 E HN 0.677 nan 8.360 nan 0.000 0.447 520 A N 1.418 124.215 122.820 -0.038 0.000 1.933 520 A HA -0.205 4.116 4.320 0.000 0.000 0.218 520 A C 2.309 179.927 177.584 0.057 0.000 1.175 520 A CA 1.909 53.943 52.037 -0.005 0.000 0.628 520 A CB -0.666 18.333 19.000 -0.002 0.000 0.814 520 A HN 0.332 nan 8.150 nan 0.000 0.444 521 S N -1.008 114.763 115.700 0.117 0.000 2.447 521 S HA -0.035 4.435 4.470 0.000 0.000 0.233 521 S C 1.576 176.294 174.600 0.197 0.000 1.006 521 S CA 1.219 59.553 58.200 0.224 0.000 0.957 521 S CB -0.279 63.191 63.200 0.451 0.000 0.773 521 S HN 0.210 nan 8.310 nan 0.000 0.507 522 L N 1.324 122.629 121.223 0.136 0.000 2.418 522 L HA 0.362 4.702 4.340 0.000 0.000 0.218 522 L C 0.376 177.281 176.870 0.059 0.000 1.125 522 L CA 0.247 55.152 54.840 0.108 0.000 0.835 522 L CB -0.832 41.271 42.059 0.073 0.000 0.953 522 L HN 0.323 nan 8.230 nan 0.000 0.454 523 I N 0.447 121.042 120.570 0.041 0.000 2.683 523 I HA 0.241 4.411 4.170 0.000 0.000 0.286 523 I C 1.589 177.728 176.117 0.037 0.000 1.175 523 I CA 0.830 62.141 61.300 0.020 0.000 1.429 523 I CB -0.539 37.464 38.000 0.005 0.000 1.371 523 I HN 0.440 nan 8.210 nan 0.000 0.569 524 G N 4.448 113.256 108.800 0.013 0.000 2.175 524 G HA2 -0.234 3.726 3.960 0.000 0.000 0.244 524 G HA3 -0.234 3.726 3.960 0.000 0.000 0.244 524 G C 0.474 175.327 174.900 -0.078 0.000 0.982 524 G CA 0.082 45.189 45.100 0.011 0.000 0.641 524 G HN 0.602 nan 8.290 nan 0.000 0.527 525 T N 4.247 118.740 114.554 -0.102 0.000 2.867 525 T HA 0.449 4.799 4.350 0.000 0.000 0.297 525 T C -1.864 172.669 174.700 -0.278 0.000 0.989 525 T CA 0.022 61.961 62.100 -0.268 0.000 1.159 525 T CB 1.583 70.403 68.868 -0.082 0.000 0.928 525 T HN 0.275 nan 8.240 nan 0.000 0.538 526 P HA 0.296 nan 4.420 nan 0.000 0.275 526 P C -0.797 176.444 177.300 -0.098 0.000 1.228 526 P CA -0.468 62.490 63.100 -0.237 0.000 0.786 526 P CB 0.843 32.370 31.700 -0.289 0.000 0.927 527 V N 2.395 122.301 119.914 -0.014 0.000 2.419 527 V HA 0.469 4.589 4.120 0.000 0.000 0.287 527 V C 1.008 177.128 176.094 0.042 0.000 1.017 527 V CA -0.222 62.094 62.300 0.026 0.000 0.844 527 V CB 0.812 32.647 31.823 0.019 0.000 1.011 527 V HN 0.660 nan 8.190 nan 0.000 0.429 528 A N 4.652 127.518 122.820 0.077 0.000 1.897 528 A HA 0.082 4.402 4.320 0.000 0.000 0.215 528 A C 0.955 178.534 177.584 -0.008 0.000 1.181 528 A CA 1.545 53.620 52.037 0.064 0.000 0.620 528 A CB -0.056 19.019 19.000 0.125 0.000 0.821 528 A HN 0.809 nan 8.150 nan 0.000 0.443 529 D N -2.036 118.338 120.400 -0.043 0.000 2.402 529 D HA 0.563 5.203 4.640 0.000 0.000 0.252 529 D C 0.584 176.786 176.300 -0.163 0.000 1.294 529 D CA 0.226 54.149 54.000 -0.128 0.000 0.948 529 D CB 1.301 41.957 40.800 -0.240 0.000 1.202 529 D HN 0.068 nan 8.370 nan 0.000 0.561 530 A N 4.170 126.841 122.820 -0.249 0.000 2.076 530 A HA -0.155 4.165 4.320 0.000 0.000 0.220 530 A C 1.741 179.134 177.584 -0.318 0.000 1.160 530 A CA 1.152 52.949 52.037 -0.399 0.000 0.653 530 A CB -0.149 18.275 19.000 -0.959 0.000 0.801 530 A HN 0.558 nan 8.150 nan 0.000 0.455 531 K N -0.909 119.339 120.400 -0.254 0.000 2.366 531 K HA 0.035 4.355 4.320 0.000 0.000 0.198 531 K C 0.149 176.586 176.600 -0.273 0.000 1.044 531 K CA 0.552 56.719 56.287 -0.200 0.000 0.973 531 K CB 0.150 32.570 32.500 -0.133 0.000 0.767 531 K HN 0.333 nan 8.250 nan 0.000 0.475 532 R N 1.307 121.577 120.500 -0.384 0.000 2.653 532 R HA 0.134 4.474 4.340 0.000 0.000 0.269 532 R C -2.610 173.277 176.300 -0.689 0.000 1.603 532 R CA -1.103 54.483 56.100 -0.858 0.000 1.671 532 R CB 1.091 31.176 30.300 -0.358 0.000 1.300 532 R HN -0.052 nan 8.270 nan 0.000 0.668 533 P HA 0.003 nan 4.420 nan 0.000 0.225 533 P C 0.902 178.186 177.300 -0.025 0.000 1.813 533 P CA 0.066 63.068 63.100 -0.163 0.000 1.013 533 P CB 0.772 32.420 31.700 -0.087 0.000 1.961 534 V N 2.194 122.090 119.914 -0.031 0.000 2.594 534 V HA -0.244 3.876 4.120 0.000 0.000 0.253 534 V C 1.963 178.008 176.094 -0.082 0.000 1.069 534 V CA 2.071 64.398 62.300 0.045 0.000 1.082 534 V CB -0.612 31.148 31.823 -0.104 0.000 0.680 534 V HN 0.164 nan 8.190 nan 0.000 0.469 535 E N 0.299 120.505 120.200 0.011 0.000 2.110 535 E HA -0.165 4.185 4.350 0.000 0.000 0.193 535 E C 1.973 178.679 176.600 0.177 0.000 0.988 535 E CA 1.837 58.346 56.400 0.182 0.000 0.804 535 E CB -0.300 29.585 29.700 0.310 0.000 0.745 535 E HN 0.669 nan 8.360 nan 0.000 0.458 536 I N 0.144 120.770 120.570 0.093 0.000 2.226 536 I HA -0.261 3.909 4.170 0.000 0.000 0.245 536 I C 1.651 177.777 176.117 0.016 0.000 1.100 536 I CA 0.723 62.070 61.300 0.078 0.000 1.374 536 I CB -0.165 37.869 38.000 0.057 0.000 1.057 536 I HN 0.117 nan 8.210 nan 0.000 0.413 537 L N 0.329 121.522 121.223 -0.050 0.000 2.083 537 L HA -0.160 4.180 4.340 0.000 0.000 0.209 537 L C 2.539 179.292 176.870 -0.196 0.000 1.083 537 L CA 1.677 56.373 54.840 -0.241 0.000 0.752 537 L CB -0.868 41.098 42.059 -0.155 0.000 0.899 537 L HN 0.096 nan 8.230 nan 0.000 0.433 538 R N -1.151 119.237 120.500 -0.188 0.000 2.083 538 R HA -0.152 4.188 4.340 0.000 0.000 0.237 538 R C 2.221 178.563 176.300 0.071 0.000 1.137 538 R CA 1.930 57.886 56.100 -0.240 0.000 0.951 538 R CB -0.828 28.899 30.300 -0.956 0.000 0.851 538 R HN 0.332 nan 8.270 nan 0.000 0.434 539 T N 0.493 115.141 114.554 0.157 0.000 2.770 539 T HA -0.064 4.286 4.350 0.000 0.000 0.263 539 T C 1.983 176.835 174.700 0.254 0.000 1.039 539 T CA 1.149 63.408 62.100 0.265 0.000 1.142 539 T CB -0.079 69.005 68.868 0.359 0.000 0.868 539 T HN -0.020 nan 8.240 nan 0.000 0.435 540 V N 1.104 121.131 119.914 0.188 0.000 2.295 540 V HA -0.220 3.900 4.120 0.000 0.000 0.246 540 V C 2.130 178.356 176.094 0.221 0.000 1.049 540 V CA 1.816 64.247 62.300 0.218 0.000 1.024 540 V CB -0.711 31.126 31.823 0.023 0.000 0.648 540 V HN 0.658 nan 8.190 nan 0.000 0.447 541 H N 0.145 119.265 119.070 0.083 0.000 2.456 541 H HA -0.114 4.442 4.556 0.000 0.000 0.296 541 H C 2.451 177.650 175.328 -0.215 0.000 1.079 541 H CA 1.147 57.157 56.048 -0.064 0.000 1.322 541 H CB 0.044 29.670 29.762 -0.226 0.000 1.388 541 H HN 0.597 nan 8.280 nan 0.000 0.538 542 S N 0.384 116.062 115.700 -0.037 0.000 2.419 542 S HA -0.163 4.307 4.470 0.000 0.000 0.233 542 S C 1.538 176.043 174.600 -0.158 0.000 1.016 542 S CA 0.893 59.050 58.200 -0.072 0.000 0.974 542 S CB -0.484 62.714 63.200 -0.004 0.000 0.786 542 S HN 0.281 nan 8.310 nan 0.000 0.492 543 F N 1.829 121.807 119.950 0.047 0.000 2.710 543 F HA 0.240 4.767 4.527 0.000 0.000 0.298 543 F C 0.919 176.695 175.800 -0.040 0.000 1.137 543 F CA 0.265 58.280 58.000 0.025 0.000 1.444 543 F CB -0.492 38.545 39.000 0.062 0.000 1.111 543 F HN 0.152 nan 8.300 nan 0.000 0.580 544 D N 0.182 120.622 120.400 0.066 0.000 2.828 544 D HA -0.145 4.495 4.640 0.000 0.000 0.241 544 D C -2.614 173.746 176.300 0.099 0.000 1.142 544 D CA -0.142 53.812 54.000 -0.076 0.000 0.755 544 D CB -0.531 40.000 40.800 -0.449 0.000 1.014 544 D HN 0.089 nan 8.370 nan 0.000 0.420 545 P HA 0.155 nan 4.420 nan 0.000 0.269 545 P C -0.230 177.157 177.300 0.146 0.000 1.209 545 P CA -0.526 62.672 63.100 0.164 0.000 0.776 545 P CB 1.143 32.946 31.700 0.172 0.000 0.876 546 C N 5.614 124.997 119.300 0.137 0.000 2.547 546 C HA 0.336 4.796 4.460 0.000 0.000 0.327 546 C C 1.274 176.348 174.990 0.140 0.000 1.076 546 C CA -0.495 58.604 59.018 0.134 0.000 1.390 546 C CB -1.019 26.806 27.740 0.143 0.000 1.918 546 C HN 0.468 nan 8.230 nan 0.000 0.438 547 I N 3.914 124.558 120.570 0.123 0.000 2.716 547 I HA 0.058 4.229 4.170 0.000 0.000 0.259 547 I C 2.485 178.686 176.117 0.139 0.000 1.172 547 I CA 1.391 62.775 61.300 0.140 0.000 1.478 547 I CB -1.588 36.501 38.000 0.148 0.000 1.104 547 I HN 0.763 nan 8.210 nan 0.000 0.439 548 A N 0.478 123.365 122.820 0.112 0.000 1.902 548 A HA -0.205 4.115 4.320 0.000 0.000 0.217 548 A C 2.608 180.272 177.584 0.134 0.000 1.181 548 A CA 1.734 53.830 52.037 0.098 0.000 0.623 548 A CB -1.150 17.893 19.000 0.072 0.000 0.818 548 A HN 0.457 nan 8.150 nan 0.000 0.443 549 C N -1.108 118.295 119.300 0.173 0.000 2.413 549 C HA -0.048 4.412 4.460 0.000 0.000 0.277 549 C C 3.038 178.230 174.990 0.337 0.000 1.228 549 C CA 1.018 60.190 59.018 0.255 0.000 1.731 549 C CB -1.553 26.357 27.740 0.284 0.000 2.042 549 C HN 0.700 nan 8.230 nan 0.000 0.468 550 G N -0.710 108.238 108.800 0.248 0.000 2.422 550 G HA2 -0.087 3.873 3.960 0.000 0.000 0.218 550 G HA3 -0.087 3.873 3.960 0.000 0.000 0.218 550 G C 1.554 176.548 174.900 0.157 0.000 1.140 550 G CA 1.428 46.665 45.100 0.229 0.000 0.775 550 G HN 0.445 nan 8.290 nan 0.000 0.545 551 V N 1.217 121.181 119.914 0.083 0.000 2.672 551 V HA 0.130 4.250 4.120 0.000 0.000 0.242 551 V C 1.142 176.916 176.094 -0.534 0.000 1.059 551 V CA 0.674 62.922 62.300 -0.088 0.000 1.081 551 V CB -0.686 31.227 31.823 0.151 0.000 0.752 551 V HN 0.757 nan 8.190 nan 0.000 0.472 552 H N 0.000 119.084 119.070 0.024 0.000 2.539 552 H HA 0.000 4.556 4.556 0.000 0.000 0.296 552 H CA 0.000 55.992 56.048 -0.094 0.000 1.023 552 H CB 0.000 29.710 29.762 -0.086 0.000 1.292 552 H HN 0.000 nan 8.280 nan 0.000 0.496