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 2wdd_1_A DATA FIRST_RESID 31 DATA SEQUENCE LYDLPPYGDA TLLYFSDLHG QAFPHYFMEP PNLIAPKPLM GRPGYLTGEA DATA SEQUENCE ILRYYGVERG TPLAYLLSYV DFVELARTFG PIGGMGALTA LIRDQKARVE DATA SEQUENCE AEGGKALVLD GGDTWTNSGL SLLTRGEAVV RWQNLVGVDH MVSHWEWTLG DATA SEQUENCE RERVEELLGL FRGEFLSYNI VDDLFGDPLF PAYRIHRVGP YALAVVGASY DATA SEQUENCE PYVKVSHPES FTEGLSFALD ERRLQEAVDK ARAEGANAVV LLSHNGMQLD DATA SEQUENCE AALAERIRGI DLILSGHTHD LTPRPWRVGK TWIVAGSAAG KALMRVDLKL DATA SEQUENCE WKGGIANLRV RVLPVLAEHL PKAEDVEAFL KAQLAPHQDH LFTPLAVSET DATA SEQUENCE LLYKRDTLYS TWDQLVGEAV KAIYPEVEVV FSPAVRWGTT ILPGQAITWD DATA SEQUENCE HLYAYTGFTY PELYLFYLRG AQIKAVLEDI ASNVFTSDPF YQQGGDVSRV DATA SEQUENCE FGLRYVLDPD APTGERVREV EVGGRPLDPN RRYLAAAYGG RLQRVGEAKP DATA SEQUENCE GYEPRPIYEV LAEYLRSVGR VRVRPEPNVK VIGRNYRLPE VTG 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 31 L HA 0.000 nan 4.340 nan 0.000 0.249 31 L C 0.000 176.604 176.870 -0.443 0.000 1.165 31 L CA 0.000 54.516 54.840 -0.540 0.000 0.813 31 L CB 0.000 41.854 42.059 -0.342 0.000 0.961 32 Y N -0.989 119.302 120.300 -0.015 0.000 2.507 32 Y HA 0.290 4.844 4.550 0.006 0.000 0.263 32 Y C 0.444 176.345 175.900 0.002 0.000 1.093 32 Y CA -0.445 57.652 58.100 -0.004 0.000 1.285 32 Y CB 0.058 38.521 38.460 0.005 0.000 1.115 32 Y HN 0.370 nan 8.280 nan 0.000 0.533 33 D N 2.176 122.638 120.400 0.103 0.000 2.508 33 D HA 0.179 4.823 4.640 0.007 0.000 0.224 33 D C -0.387 175.939 176.300 0.043 0.000 1.171 33 D CA 0.398 54.440 54.000 0.071 0.000 1.006 33 D CB 0.399 41.228 40.800 0.049 0.000 1.073 33 D HN 0.217 nan 8.370 nan 0.000 0.513 34 L N 3.017 124.271 121.223 0.052 0.000 2.325 34 L HA 0.356 4.700 4.340 0.007 0.000 0.279 34 L C -1.812 175.086 176.870 0.047 0.000 1.054 34 L CA -1.731 53.132 54.840 0.038 0.000 0.804 34 L CB 1.378 43.460 42.059 0.038 0.000 1.200 34 L HN 0.025 nan 8.230 nan 0.000 0.436 35 P HA 0.294 nan 4.420 nan 0.000 0.274 35 P C -2.667 174.682 177.300 0.083 0.000 1.246 35 P CA -1.528 61.607 63.100 0.058 0.000 0.795 35 P CB -0.251 31.484 31.700 0.057 0.000 1.006 36 P HA 0.202 nan 4.420 nan 0.000 0.272 36 P C -1.199 176.197 177.300 0.159 0.000 1.223 36 P CA 0.389 63.546 63.100 0.094 0.000 0.784 36 P CB 0.157 31.891 31.700 0.056 0.000 0.923 37 Y N 0.729 121.035 120.300 0.011 0.000 2.376 37 Y HA 0.448 5.001 4.550 0.006 0.000 0.321 37 Y C 0.267 176.171 175.900 0.006 0.000 1.189 37 Y CA 0.510 58.613 58.100 0.006 0.000 1.069 37 Y CB 1.116 39.574 38.460 -0.004 0.000 1.292 37 Y HN 0.890 nan 8.280 nan 0.000 0.430 38 G N 4.563 113.130 108.800 -0.388 0.000 2.693 38 G HA2 -0.246 3.718 3.960 0.007 0.000 0.226 38 G HA3 -0.246 3.718 3.960 0.007 0.000 0.226 38 G C -0.066 174.802 174.900 -0.053 0.000 1.354 38 G CA 0.202 45.172 45.100 -0.217 0.000 0.873 38 G HN 0.643 nan 8.290 nan 0.000 0.562 39 D N 0.555 120.944 120.400 -0.018 0.000 2.338 39 D HA 0.425 5.069 4.640 0.007 0.000 0.208 39 D C 1.185 177.517 176.300 0.053 0.000 0.997 39 D CA 1.404 55.427 54.000 0.038 0.000 0.880 39 D CB 0.612 41.441 40.800 0.048 0.000 0.980 39 D HN 1.051 nan 8.370 nan 0.000 0.509 40 A N 0.174 123.020 122.820 0.042 0.000 2.515 40 A HA 0.619 4.944 4.320 0.007 0.000 0.298 40 A C -0.849 176.767 177.584 0.053 0.000 1.059 40 A CA -0.456 51.608 52.037 0.046 0.000 0.698 40 A CB 1.988 21.010 19.000 0.036 0.000 1.289 40 A HN -0.112 nan 8.150 nan 0.000 0.404 41 T N 2.105 116.686 114.554 0.046 0.000 2.848 41 T HA 0.578 4.932 4.350 0.007 0.000 0.285 41 T C -0.728 173.997 174.700 0.041 0.000 0.995 41 T CA -0.229 61.902 62.100 0.053 0.000 0.970 41 T CB 0.721 69.624 68.868 0.059 0.000 0.976 41 T HN 0.473 nan 8.240 nan 0.000 0.441 42 L N 3.881 125.134 121.223 0.049 0.000 2.296 42 L HA 0.573 4.917 4.340 0.007 0.000 0.286 42 L C -0.573 176.362 176.870 0.108 0.000 1.023 42 L CA -0.899 53.976 54.840 0.058 0.000 0.812 42 L CB 1.175 43.256 42.059 0.037 0.000 1.223 42 L HN 0.397 nan 8.230 nan 0.000 0.421 43 L N 4.396 125.698 121.223 0.132 0.000 2.277 43 L HA 0.394 4.738 4.340 0.007 0.000 0.284 43 L C -1.006 176.034 176.870 0.283 0.000 1.028 43 L CA -0.526 54.422 54.840 0.180 0.000 0.835 43 L CB 0.782 42.926 42.059 0.141 0.000 1.215 43 L HN 0.452 nan 8.230 nan 0.000 0.425 44 Y N 5.795 126.179 120.300 0.140 0.000 2.364 44 Y HA 0.688 5.242 4.550 0.007 0.000 0.340 44 Y C -0.958 175.073 175.900 0.218 0.000 0.975 44 Y CA -1.770 56.398 58.100 0.114 0.000 1.089 44 Y CB 1.379 39.873 38.460 0.057 0.000 1.192 44 Y HN 0.387 nan 8.280 nan 0.000 0.454 45 F N 2.202 121.950 119.950 -0.337 0.000 2.626 45 F HA 0.863 5.394 4.527 0.008 0.000 0.311 45 F C -1.039 174.499 175.800 -0.437 0.000 1.088 45 F CA -0.949 56.790 58.000 -0.435 0.000 0.949 45 F CB 1.774 40.707 39.000 -0.113 0.000 1.322 45 F HN 0.460 nan 8.300 nan 0.000 0.461 46 S N -0.135 115.398 115.700 -0.279 0.000 2.596 46 S HA 0.381 4.855 4.470 0.007 0.000 0.270 46 S C -1.339 173.250 174.600 -0.018 0.000 1.155 46 S CA -0.409 57.687 58.200 -0.175 0.000 0.827 46 S CB 1.186 64.312 63.200 -0.123 0.000 1.130 46 S HN 0.939 nan 8.310 nan 0.000 0.467 47 D N 1.111 121.515 120.400 0.006 0.000 2.772 47 D HA -0.160 4.485 4.640 0.007 0.000 0.233 47 D C 0.725 176.999 176.300 -0.043 0.000 1.143 47 D CA 0.656 54.621 54.000 -0.058 0.000 0.700 47 D CB -0.782 39.942 40.800 -0.126 0.000 1.076 47 D HN 0.430 nan 8.370 nan 0.000 0.430 48 L N 0.749 121.971 121.223 -0.002 0.000 2.131 48 L HA -0.139 4.206 4.340 0.007 0.000 0.210 48 L C 1.076 177.912 176.870 -0.058 0.000 1.092 48 L CA 2.077 56.920 54.840 0.006 0.000 0.759 48 L CB -0.384 41.724 42.059 0.081 0.000 0.903 48 L HN 0.325 nan 8.230 nan 0.000 0.435 49 H N -0.676 118.297 119.070 -0.161 0.000 2.692 49 H HA -0.171 4.389 4.556 0.007 0.000 0.316 49 H C 1.419 176.552 175.328 -0.326 0.000 1.176 49 H CA 0.745 56.604 56.048 -0.315 0.000 1.142 49 H CB -1.763 27.767 29.762 -0.386 0.000 1.475 49 H HN 0.620 nan 8.280 nan 0.000 0.423 50 G N 0.719 109.414 108.800 -0.174 0.000 2.212 50 G HA2 -0.358 3.607 3.960 0.007 0.000 0.267 50 G HA3 -0.358 3.607 3.960 0.007 0.000 0.267 50 G C 0.410 175.136 174.900 -0.289 0.000 1.002 50 G CA 0.614 45.594 45.100 -0.200 0.000 0.729 50 G HN 0.502 nan 8.290 nan 0.000 0.517 51 Q N -0.286 119.317 119.800 -0.328 0.000 2.359 51 Q HA 0.491 4.835 4.340 0.007 0.000 0.249 51 Q C 1.467 177.182 176.000 -0.476 0.000 1.181 51 Q CA 0.565 56.114 55.803 -0.423 0.000 0.897 51 Q CB 0.618 29.045 28.738 -0.518 0.000 1.424 51 Q HN 0.576 nan 8.270 nan 0.000 0.478 52 A N 3.041 125.537 122.820 -0.541 0.000 2.067 52 A HA 0.093 4.418 4.320 0.007 0.000 0.217 52 A C 0.250 177.242 177.584 -0.986 0.000 1.156 52 A CA 0.718 52.244 52.037 -0.852 0.000 0.683 52 A CB 0.305 18.679 19.000 -1.043 0.000 0.808 52 A HN 0.492 nan 8.150 nan 0.000 0.455 53 F N -1.245 118.590 119.950 -0.193 0.000 2.579 53 F HA 0.503 5.034 4.527 0.007 0.000 0.324 53 F C -2.471 173.283 175.800 -0.075 0.000 1.058 53 F CA -2.875 55.046 58.000 -0.133 0.000 0.944 53 F CB 1.106 40.047 39.000 -0.098 0.000 1.245 53 F HN -0.226 nan 8.300 nan 0.000 0.477 54 P HA 0.114 nan 4.420 nan 0.000 0.265 54 P C -1.209 176.149 177.300 0.096 0.000 1.193 54 P CA 0.582 63.718 63.100 0.061 0.000 0.765 54 P CB 0.142 31.837 31.700 -0.010 0.000 0.823 55 H N -0.259 118.694 119.070 -0.196 0.000 2.950 55 H HA 0.604 5.165 4.556 0.008 0.000 0.272 55 H C -1.409 173.705 175.328 -0.355 0.000 1.495 55 H CA -0.940 54.983 56.048 -0.209 0.000 1.183 55 H CB 0.518 30.259 29.762 -0.034 0.000 1.867 55 H HN 0.199 nan 8.280 nan 0.000 0.597 56 Y N -0.155 120.160 120.300 0.025 0.000 2.468 56 Y HA 0.580 5.134 4.550 0.007 0.000 0.342 56 Y C -1.257 174.737 175.900 0.157 0.000 1.021 56 Y CA -1.044 57.140 58.100 0.139 0.000 1.079 56 Y CB 2.063 40.748 38.460 0.375 0.000 1.226 56 Y HN 0.525 nan 8.280 nan 0.000 0.460 57 F N 4.024 124.047 119.950 0.122 0.000 3.051 57 F HA 0.364 4.896 4.527 0.007 0.000 0.363 57 F C -0.896 174.871 175.800 -0.056 0.000 1.257 57 F CA -1.503 56.492 58.000 -0.009 0.000 1.126 57 F CB 1.209 40.145 39.000 -0.107 0.000 1.476 57 F HN 0.505 nan 8.300 nan 0.000 0.576 58 M N 4.388 123.754 119.600 -0.390 0.000 2.211 58 M HA 0.310 4.795 4.480 0.007 0.000 0.356 58 M C 0.169 176.155 176.300 -0.525 0.000 1.216 58 M CA -0.187 54.650 55.300 -0.772 0.000 1.134 58 M CB 0.648 32.434 32.600 -1.357 0.000 1.564 58 M HN 0.410 nan 8.290 nan 0.000 0.463 59 E N 5.010 125.016 120.200 -0.323 0.000 2.392 59 E HA 0.275 4.630 4.350 0.007 0.000 0.256 59 E C -2.372 174.118 176.600 -0.183 0.000 1.145 59 E CA -1.447 54.819 56.400 -0.224 0.000 0.929 59 E CB -0.139 29.506 29.700 -0.091 0.000 0.998 59 E HN 0.465 nan 8.360 nan 0.000 0.442 60 P HA 0.079 nan 4.420 nan 0.000 0.271 60 P C -2.234 174.973 177.300 -0.155 0.000 1.216 60 P CA -1.254 61.771 63.100 -0.124 0.000 0.776 60 P CB 0.238 31.901 31.700 -0.062 0.000 0.881 61 P HA 0.004 nan 4.420 nan 0.000 0.225 61 P C -0.016 177.036 177.300 -0.413 0.000 1.156 61 P CA 1.320 63.921 63.100 -0.832 0.000 0.787 61 P CB 0.343 31.430 31.700 -1.022 0.000 0.802 62 N N -0.305 118.268 118.700 -0.212 0.000 2.287 62 N HA 0.335 5.080 4.740 0.007 0.000 0.289 62 N C -1.094 174.439 175.510 0.039 0.000 1.066 62 N CA -0.461 52.534 53.050 -0.092 0.000 0.841 62 N CB 2.326 40.737 38.487 -0.127 0.000 1.599 62 N HN -0.122 nan 8.380 nan 0.000 0.476 63 L N 2.922 124.203 121.223 0.098 0.000 2.488 63 L HA 0.480 4.824 4.340 0.007 0.000 0.250 63 L C -0.288 176.758 176.870 0.294 0.000 1.280 63 L CA -0.376 54.569 54.840 0.176 0.000 0.929 63 L CB 0.794 42.921 42.059 0.113 0.000 1.200 63 L HN 0.411 nan 8.230 nan 0.000 0.495 64 I N 1.899 122.655 120.570 0.310 0.000 2.588 64 I HA 0.375 4.549 4.170 0.007 0.000 0.283 64 I C 0.693 177.047 176.117 0.395 0.000 1.119 64 I CA 0.383 61.855 61.300 0.288 0.000 1.419 64 I CB 1.091 39.230 38.000 0.233 0.000 1.394 64 I HN 0.531 nan 8.210 nan 0.000 0.562 65 A N 8.223 131.136 122.820 0.154 0.000 2.556 65 A HA 0.831 5.156 4.320 0.007 0.000 0.294 65 A C -2.716 174.844 177.584 -0.041 0.000 1.091 65 A CA -1.505 50.546 52.037 0.023 0.000 0.704 65 A CB 1.593 20.272 19.000 -0.535 0.000 1.300 65 A HN 0.435 nan 8.150 nan 0.000 0.406 66 P HA 0.185 nan 4.420 nan 0.000 0.272 66 P C 0.241 177.503 177.300 -0.062 0.000 1.230 66 P CA -0.141 62.940 63.100 -0.031 0.000 0.788 66 P CB 0.740 32.459 31.700 0.031 0.000 0.949 67 K N 1.432 121.806 120.400 -0.044 0.000 2.052 67 K HA -0.181 4.144 4.320 0.007 0.000 0.215 67 K C -0.649 175.931 176.600 -0.034 0.000 1.053 67 K CA 2.342 58.607 56.287 -0.036 0.000 0.934 67 K CB -1.912 30.575 32.500 -0.021 0.000 0.717 67 K HN 0.495 nan 8.250 nan 0.000 0.450 68 P HA -0.147 nan 4.420 nan 0.000 0.219 68 P C 0.717 178.008 177.300 -0.016 0.000 1.146 68 P CA 1.069 64.167 63.100 -0.003 0.000 0.808 68 P CB 0.115 31.825 31.700 0.016 0.000 0.779 69 L N -2.889 118.280 121.223 -0.090 0.000 2.585 69 L HA 0.227 4.572 4.340 0.007 0.000 0.226 69 L C 1.152 177.876 176.870 -0.242 0.000 1.113 69 L CA 0.203 54.933 54.840 -0.182 0.000 0.876 69 L CB -1.275 40.546 42.059 -0.398 0.000 1.072 69 L HN 0.121 nan 8.230 nan 0.000 0.468 70 M N -0.463 119.042 119.600 -0.158 0.000 2.252 70 M HA 0.259 4.743 4.480 0.007 0.000 0.333 70 M C 1.409 177.698 176.300 -0.018 0.000 1.111 70 M CA 1.212 56.457 55.300 -0.091 0.000 1.140 70 M CB 0.375 32.946 32.600 -0.049 0.000 1.538 70 M HN 0.324 nan 8.290 nan 0.000 0.448 71 G N 1.322 110.124 108.800 0.003 0.000 2.159 71 G HA2 -0.246 3.719 3.960 0.007 0.000 0.256 71 G HA3 -0.246 3.719 3.960 0.007 0.000 0.256 71 G C -0.028 174.839 174.900 -0.055 0.000 0.977 71 G CA 0.450 45.551 45.100 0.002 0.000 0.652 71 G HN 0.818 nan 8.290 nan 0.000 0.531 72 R N -0.405 120.058 120.500 -0.062 0.000 2.787 72 R HA 0.698 5.042 4.340 0.007 0.000 0.271 72 R C -3.003 173.038 176.300 -0.431 0.000 0.993 72 R CA -2.188 53.785 56.100 -0.211 0.000 0.993 72 R CB 1.314 31.609 30.300 -0.007 0.000 1.155 72 R HN 0.007 nan 8.270 nan 0.000 0.486 73 P HA -0.000 nan 4.420 nan 0.000 0.262 73 P C 0.396 177.369 177.300 -0.544 0.000 1.182 73 P CA 1.701 64.329 63.100 -0.787 0.000 0.761 73 P CB 0.671 31.694 31.700 -1.128 0.000 0.795 74 G N 1.962 110.558 108.800 -0.340 0.000 2.238 74 G HA2 -0.274 3.690 3.960 0.007 0.000 0.217 74 G HA3 -0.274 3.690 3.960 0.007 0.000 0.217 74 G C 0.218 174.756 174.900 -0.603 0.000 0.996 74 G CA -0.284 44.578 45.100 -0.397 0.000 0.632 74 G HN 0.498 nan 8.290 nan 0.000 0.503 75 Y N 0.516 120.753 120.300 -0.105 0.000 2.738 75 Y HA 0.581 5.135 4.550 0.008 0.000 0.249 75 Y C 0.856 176.712 175.900 -0.073 0.000 1.157 75 Y CA -0.539 57.531 58.100 -0.050 0.000 1.189 75 Y CB 0.540 38.987 38.460 -0.022 0.000 1.262 75 Y HN 0.185 nan 8.280 nan 0.000 0.554 76 L N 1.258 122.464 121.223 -0.029 0.000 2.309 76 L HA 0.706 5.051 4.340 0.007 0.000 0.282 76 L C 0.290 177.166 176.870 0.010 0.000 1.036 76 L CA -0.432 54.383 54.840 -0.043 0.000 0.806 76 L CB 1.642 43.602 42.059 -0.165 0.000 1.220 76 L HN 0.145 nan 8.230 nan 0.000 0.429 77 T N -1.128 113.455 114.554 0.048 0.000 2.787 77 T HA 0.761 5.116 4.350 0.007 0.000 0.297 77 T C 0.375 175.129 174.700 0.090 0.000 1.221 77 T CA -0.134 62.024 62.100 0.097 0.000 1.006 77 T CB 1.491 70.448 68.868 0.149 0.000 1.328 77 T HN 0.958 nan 8.240 nan 0.000 0.509 78 G N 1.299 110.139 108.800 0.066 0.000 2.614 78 G HA2 -0.329 3.635 3.960 0.007 0.000 0.303 78 G HA3 -0.329 3.635 3.960 0.007 0.000 0.303 78 G C 0.592 175.385 174.900 -0.178 0.000 1.270 78 G CA 1.108 46.042 45.100 -0.276 0.000 0.988 78 G HN 0.994 nan 8.290 nan 0.000 0.551 79 E N 0.579 120.705 120.200 -0.123 0.000 2.150 79 E HA 0.251 4.605 4.350 0.007 0.000 0.193 79 E C 2.918 179.515 176.600 -0.005 0.000 0.985 79 E CA 1.939 58.302 56.400 -0.062 0.000 0.814 79 E CB -0.488 29.188 29.700 -0.039 0.000 0.752 79 E HN 0.870 nan 8.360 nan 0.000 0.466 80 A N 1.028 123.855 122.820 0.013 0.000 1.908 80 A HA -0.186 4.139 4.320 0.007 0.000 0.218 80 A C 2.264 179.885 177.584 0.061 0.000 1.181 80 A CA 1.286 53.345 52.037 0.038 0.000 0.627 80 A CB -0.666 18.356 19.000 0.036 0.000 0.818 80 A HN 0.326 nan 8.150 nan 0.000 0.445 81 I N -0.433 120.171 120.570 0.056 0.000 2.315 81 I HA -0.205 3.970 4.170 0.007 0.000 0.248 81 I C 2.152 178.388 176.117 0.199 0.000 1.117 81 I CA 1.001 62.371 61.300 0.117 0.000 1.404 81 I CB -0.062 38.003 38.000 0.108 0.000 1.071 81 I HN 0.344 nan 8.210 nan 0.000 0.419 82 L N 0.164 121.455 121.223 0.113 0.000 2.046 82 L HA -0.206 4.138 4.340 0.007 0.000 0.208 82 L C 2.737 179.674 176.870 0.113 0.000 1.077 82 L CA 1.361 56.268 54.840 0.111 0.000 0.747 82 L CB -0.743 41.343 42.059 0.046 0.000 0.896 82 L HN 0.173 nan 8.230 nan 0.000 0.432 83 R N -0.974 119.573 120.500 0.078 0.000 2.075 83 R HA -0.203 4.142 4.340 0.007 0.000 0.232 83 R C 2.335 178.658 176.300 0.039 0.000 1.126 83 R CA 1.664 57.794 56.100 0.050 0.000 0.963 83 R CB -0.605 29.715 30.300 0.033 0.000 0.858 83 R HN 0.268 nan 8.270 nan 0.000 0.435 84 Y N 0.114 120.353 120.300 -0.103 0.000 2.165 84 Y HA -0.287 4.267 4.550 0.007 0.000 0.286 84 Y C 1.250 176.939 175.900 -0.351 0.000 1.155 84 Y CA 1.680 59.618 58.100 -0.269 0.000 1.164 84 Y CB -0.021 38.185 38.460 -0.424 0.000 0.978 84 Y HN 0.031 nan 8.280 nan 0.000 0.513 85 Y N -0.349 120.063 120.300 0.188 0.000 2.457 85 Y HA 0.281 4.835 4.550 0.007 0.000 0.263 85 Y C 1.685 177.602 175.900 0.029 0.000 1.164 85 Y CA 0.163 58.327 58.100 0.107 0.000 1.274 85 Y CB 0.140 38.683 38.460 0.138 0.000 1.097 85 Y HN 0.184 nan 8.280 nan 0.000 0.523 86 G N 0.814 109.679 108.800 0.108 0.000 2.221 86 G HA2 -0.258 3.707 3.960 0.007 0.000 0.265 86 G HA3 -0.258 3.707 3.960 0.007 0.000 0.265 86 G C -0.290 174.652 174.900 0.071 0.000 1.041 86 G CA 0.275 45.411 45.100 0.061 0.000 0.807 86 G HN 0.131 nan 8.290 nan 0.000 0.502 87 V N 0.363 120.334 119.914 0.096 0.000 2.432 87 V HA 0.360 4.484 4.120 0.007 0.000 0.275 87 V C 0.873 176.993 176.094 0.044 0.000 1.043 87 V CA -0.550 61.789 62.300 0.066 0.000 0.925 87 V CB 1.719 33.589 31.823 0.078 0.000 0.985 87 V HN 0.507 nan 8.190 nan 0.000 0.466 88 E N 4.621 124.837 120.200 0.027 0.000 2.360 88 E HA 0.141 4.495 4.350 0.007 0.000 0.269 88 E C 0.407 177.025 176.600 0.030 0.000 1.022 88 E CA -0.542 55.871 56.400 0.023 0.000 0.887 88 E CB 0.630 30.339 29.700 0.015 0.000 0.990 88 E HN 0.569 nan 8.360 nan 0.000 0.426 89 R N 2.559 123.075 120.500 0.027 0.000 2.570 89 R HA 0.055 4.399 4.340 0.007 0.000 0.277 89 R C 0.745 177.074 176.300 0.048 0.000 1.039 89 R CA 1.340 57.459 56.100 0.030 0.000 1.065 89 R CB 0.114 30.422 30.300 0.014 0.000 0.964 89 R HN 0.849 nan 8.270 nan 0.000 0.428 90 G N 2.256 111.103 108.800 0.078 0.000 2.176 90 G HA2 -0.309 3.656 3.960 0.007 0.000 0.253 90 G HA3 -0.309 3.656 3.960 0.007 0.000 0.253 90 G C 0.150 175.181 174.900 0.219 0.000 0.979 90 G CA 0.496 45.666 45.100 0.118 0.000 0.641 90 G HN 0.829 nan 8.290 nan 0.000 0.530 91 T N -1.985 112.655 114.554 0.144 0.000 2.874 91 T HA 0.626 4.981 4.350 0.007 0.000 0.281 91 T C -0.890 173.761 174.700 -0.082 0.000 0.994 91 T CA -0.953 61.184 62.100 0.062 0.000 1.015 91 T CB 2.193 71.053 68.868 -0.014 0.000 1.028 91 T HN -0.091 nan 8.240 nan 0.000 0.523 92 P HA -0.048 nan 4.420 nan 0.000 0.216 92 P C 1.627 178.796 177.300 -0.219 0.000 1.150 92 P CA 0.294 62.950 63.100 -0.741 0.000 0.837 92 P CB -0.047 31.178 31.700 -0.792 0.000 0.786 93 L N -0.272 120.857 121.223 -0.156 0.000 2.093 93 L HA -0.040 4.304 4.340 0.007 0.000 0.208 93 L C 2.201 179.061 176.870 -0.017 0.000 1.085 93 L CA 1.853 56.642 54.840 -0.083 0.000 0.755 93 L CB -1.600 40.411 42.059 -0.079 0.000 0.904 93 L HN -0.125 nan 8.230 nan 0.000 0.435 94 A N -1.277 121.559 122.820 0.026 0.000 1.933 94 A HA -0.294 4.030 4.320 0.007 0.000 0.218 94 A C 2.293 179.968 177.584 0.150 0.000 1.175 94 A CA 1.765 53.847 52.037 0.074 0.000 0.628 94 A CB -1.193 17.858 19.000 0.084 0.000 0.814 94 A HN 0.627 nan 8.150 nan 0.000 0.444 95 Y N 0.233 120.567 120.300 0.057 0.000 2.165 95 Y HA -0.166 4.388 4.550 0.007 0.000 0.286 95 Y C 1.782 177.768 175.900 0.144 0.000 1.155 95 Y CA 1.722 59.899 58.100 0.128 0.000 1.164 95 Y CB -0.542 38.022 38.460 0.173 0.000 0.978 95 Y HN 0.182 nan 8.280 nan 0.000 0.513 96 L N -0.743 120.413 121.223 -0.110 0.000 2.072 96 L HA -0.119 4.225 4.340 0.007 0.000 0.205 96 L C 2.318 179.139 176.870 -0.080 0.000 1.079 96 L CA 1.204 55.926 54.840 -0.197 0.000 0.752 96 L CB -1.131 40.841 42.059 -0.144 0.000 0.906 96 L HN 0.315 nan 8.230 nan 0.000 0.436 97 L N -2.247 118.957 121.223 -0.032 0.000 2.240 97 L HA 0.089 4.433 4.340 0.007 0.000 0.211 97 L C 1.073 177.943 176.870 -0.001 0.000 1.106 97 L CA 0.790 55.616 54.840 -0.024 0.000 0.793 97 L CB -0.002 42.048 42.059 -0.015 0.000 0.927 97 L HN 0.231 nan 8.230 nan 0.000 0.446 98 S N -2.991 112.722 115.700 0.022 0.000 2.618 98 S HA 0.266 4.740 4.470 0.007 0.000 0.277 98 S C 0.349 174.973 174.600 0.040 0.000 1.138 98 S CA -0.340 57.856 58.200 -0.007 0.000 0.844 98 S CB 0.822 63.972 63.200 -0.084 0.000 1.127 98 S HN 0.276 nan 8.310 nan 0.000 0.474 99 Y N 1.579 121.874 120.300 -0.008 0.000 2.516 99 Y HA 0.427 4.982 4.550 0.008 0.000 0.291 99 Y C 0.477 176.432 175.900 0.091 0.000 1.131 99 Y CA -0.241 57.849 58.100 -0.018 0.000 1.281 99 Y CB -0.751 37.606 38.460 -0.171 0.000 1.013 99 Y HN 0.222 nan 8.280 nan 0.000 0.554 100 V N 4.275 123.884 119.914 -0.508 0.000 2.617 100 V HA -0.131 3.993 4.120 0.007 0.000 0.304 100 V C 0.414 176.505 176.094 -0.005 0.000 1.040 100 V CA 0.722 62.831 62.300 -0.318 0.000 1.149 100 V CB -0.171 31.450 31.823 -0.337 0.000 0.914 100 V HN 0.620 nan 8.190 nan 0.000 0.487 101 D N 2.504 122.931 120.400 0.044 0.000 2.983 101 D HA -0.291 4.353 4.640 0.007 0.000 0.225 101 D C 0.736 177.106 176.300 0.118 0.000 1.174 101 D CA 1.286 55.325 54.000 0.065 0.000 0.831 101 D CB -1.296 39.520 40.800 0.027 0.000 1.104 101 D HN 0.601 nan 8.370 nan 0.000 0.421 102 F N 1.342 121.342 119.950 0.084 0.000 2.043 102 F HA -0.312 4.219 4.527 0.008 0.000 0.297 102 F C 2.325 178.192 175.800 0.113 0.000 1.118 102 F CA 2.321 60.412 58.000 0.151 0.000 1.202 102 F CB -0.388 38.703 39.000 0.152 0.000 0.965 102 F HN 0.028 nan 8.300 nan 0.000 0.482 103 V N 0.390 120.336 119.914 0.053 0.000 2.287 103 V HA -0.345 3.780 4.120 0.007 0.000 0.248 103 V C 2.365 178.328 176.094 -0.219 0.000 1.053 103 V CA 2.303 64.538 62.300 -0.108 0.000 1.027 103 V CB -0.884 30.960 31.823 0.035 0.000 0.646 103 V HN 0.488 nan 8.190 nan 0.000 0.447 104 E N 0.113 120.227 120.200 -0.145 0.000 2.058 104 E HA -0.233 4.122 4.350 0.007 0.000 0.194 104 E C 2.166 178.586 176.600 -0.300 0.000 0.997 104 E CA 1.616 57.910 56.400 -0.178 0.000 0.801 104 E CB -0.171 29.459 29.700 -0.115 0.000 0.746 104 E HN 0.584 nan 8.360 nan 0.000 0.450 105 L N 0.066 121.092 121.223 -0.329 0.000 2.156 105 L HA -0.062 4.282 4.340 0.007 0.000 0.208 105 L C 2.609 178.957 176.870 -0.870 0.000 1.095 105 L CA 0.708 55.241 54.840 -0.510 0.000 0.770 105 L CB -0.425 41.507 42.059 -0.212 0.000 0.914 105 L HN 0.229 nan 8.230 nan 0.000 0.439 106 A N 0.151 122.509 122.820 -0.770 0.000 1.930 106 A HA -0.148 4.177 4.320 0.007 0.000 0.217 106 A C 2.383 179.788 177.584 -0.299 0.000 1.175 106 A CA 1.059 52.761 52.037 -0.559 0.000 0.627 106 A CB -0.311 18.348 19.000 -0.568 0.000 0.815 106 A HN 0.271 nan 8.150 nan 0.000 0.443 107 R N -0.644 119.665 120.500 -0.318 0.000 2.115 107 R HA -0.058 4.287 4.340 0.007 0.000 0.230 107 R C 2.072 178.231 176.300 -0.235 0.000 1.111 107 R CA 1.694 57.669 56.100 -0.208 0.000 0.976 107 R CB -1.085 29.102 30.300 -0.187 0.000 0.870 107 R HN 0.535 nan 8.270 nan 0.000 0.445 108 T N 0.872 115.178 114.554 -0.412 0.000 2.732 108 T HA -0.044 4.311 4.350 0.007 0.000 0.261 108 T C 1.359 175.769 174.700 -0.483 0.000 1.040 108 T CA 1.272 63.033 62.100 -0.565 0.000 1.145 108 T CB -0.154 68.138 68.868 -0.960 0.000 0.866 108 T HN 0.087 nan 8.240 nan 0.000 0.427 109 F N 1.012 120.833 119.950 -0.215 0.000 2.746 109 F HA 0.454 4.985 4.527 0.006 0.000 0.297 109 F C 1.715 177.587 175.800 0.120 0.000 1.113 109 F CA -0.011 57.951 58.000 -0.063 0.000 1.367 109 F CB -0.568 38.315 39.000 -0.194 0.000 1.111 109 F HN 0.380 nan 8.300 nan 0.000 0.590 110 G N 0.678 109.590 108.800 0.186 0.000 2.757 110 G HA2 -0.133 3.831 3.960 0.007 0.000 0.638 110 G HA3 -0.133 3.831 3.960 0.007 0.000 0.638 110 G C -2.875 172.202 174.900 0.295 0.000 1.344 110 G CA -1.098 44.145 45.100 0.240 0.000 0.855 110 G HN -0.002 nan 8.290 nan 0.000 0.537 111 P HA 0.510 nan 4.420 nan 0.000 0.272 111 P C 0.016 177.273 177.300 -0.071 0.000 1.240 111 P CA -0.043 62.825 63.100 -0.386 0.000 0.791 111 P CB 0.693 32.045 31.700 -0.579 0.000 0.978 112 I N -2.732 117.752 120.570 -0.145 0.000 2.947 112 I HA 0.813 4.987 4.170 0.007 0.000 0.314 112 I C 0.866 176.924 176.117 -0.098 0.000 1.028 112 I CA -0.592 60.663 61.300 -0.074 0.000 1.077 112 I CB 0.416 38.356 38.000 -0.099 0.000 1.274 112 I HN 0.761 nan 8.210 nan 0.000 0.485 113 G N 1.104 109.873 108.800 -0.052 0.000 2.569 113 G HA2 0.384 4.348 3.960 0.007 0.000 0.259 113 G HA3 0.384 4.348 3.960 0.007 0.000 0.259 113 G C 0.333 175.198 174.900 -0.057 0.000 1.263 113 G CA 0.118 45.192 45.100 -0.043 0.000 0.928 113 G HN 2.904 nan 8.290 nan 0.000 0.572 114 G N -3.080 105.658 108.800 -0.104 0.000 2.907 114 G HA2 0.236 4.200 3.960 0.007 0.000 0.686 114 G HA3 0.236 4.200 3.960 0.007 0.000 0.686 114 G C 0.570 175.279 174.900 -0.318 0.000 1.115 114 G CA 0.530 45.517 45.100 -0.188 0.000 0.760 114 G HN 1.427 nan 8.290 nan 0.000 0.620 115 M N 1.769 121.057 119.600 -0.521 0.000 2.229 115 M HA 0.027 4.512 4.480 0.007 0.000 0.264 115 M C 2.701 178.843 176.300 -0.264 0.000 1.063 115 M CA 2.316 57.185 55.300 -0.717 0.000 1.114 115 M CB -0.239 31.586 32.600 -1.292 0.000 1.387 115 M HN 0.828 nan 8.290 nan 0.000 0.420 116 G N 0.173 108.868 108.800 -0.175 0.000 2.453 116 G HA2 -0.186 3.779 3.960 0.007 0.000 0.215 116 G HA3 -0.186 3.779 3.960 0.007 0.000 0.215 116 G C 1.619 176.499 174.900 -0.034 0.000 1.201 116 G CA 1.004 46.077 45.100 -0.044 0.000 0.784 116 G HN 0.527 nan 8.290 nan 0.000 0.545 117 A N 0.220 123.001 122.820 -0.065 0.000 1.933 117 A HA 0.079 4.404 4.320 0.007 0.000 0.218 117 A C 2.369 179.906 177.584 -0.077 0.000 1.175 117 A CA 1.728 53.726 52.037 -0.065 0.000 0.628 117 A CB -0.449 18.517 19.000 -0.057 0.000 0.814 117 A HN 0.471 nan 8.150 nan 0.000 0.444 118 L N -0.152 121.015 121.223 -0.094 0.000 2.046 118 L HA -0.105 4.239 4.340 0.007 0.000 0.208 118 L C 2.381 179.235 176.870 -0.027 0.000 1.077 118 L CA 2.800 57.581 54.840 -0.099 0.000 0.747 118 L CB -1.093 40.855 42.059 -0.186 0.000 0.896 118 L HN 0.358 nan 8.230 nan 0.000 0.432 119 T N -0.080 114.516 114.554 0.069 0.000 2.708 119 T HA -0.130 4.225 4.350 0.007 0.000 0.266 119 T C 1.936 176.638 174.700 0.003 0.000 1.037 119 T CA 1.335 63.489 62.100 0.091 0.000 1.146 119 T CB -0.564 68.420 68.868 0.194 0.000 0.865 119 T HN 0.528 nan 8.240 nan 0.000 0.435 120 A N 1.340 124.149 122.820 -0.019 0.000 1.908 120 A HA -0.056 4.268 4.320 0.007 0.000 0.218 120 A C 2.247 179.777 177.584 -0.089 0.000 1.181 120 A CA 1.411 53.417 52.037 -0.051 0.000 0.627 120 A CB -0.835 18.129 19.000 -0.061 0.000 0.818 120 A HN 0.397 nan 8.150 nan 0.000 0.445 121 L N -0.075 121.075 121.223 -0.122 0.000 2.027 121 L HA -0.071 4.274 4.340 0.007 0.000 0.206 121 L C 2.258 179.075 176.870 -0.087 0.000 1.074 121 L CA 1.699 56.437 54.840 -0.169 0.000 0.745 121 L CB -0.515 41.426 42.059 -0.198 0.000 0.898 121 L HN 0.439 nan 8.230 nan 0.000 0.433 122 I N -0.715 119.825 120.570 -0.050 0.000 2.163 122 I HA -0.336 3.839 4.170 0.007 0.000 0.243 122 I C 2.649 178.756 176.117 -0.017 0.000 1.085 122 I CA 1.371 62.663 61.300 -0.013 0.000 1.347 122 I CB -0.319 37.679 38.000 -0.003 0.000 1.044 122 I HN 0.255 nan 8.210 nan 0.000 0.408 123 R N 0.364 120.846 120.500 -0.030 0.000 2.081 123 R HA -0.214 4.131 4.340 0.007 0.000 0.235 123 R C 1.977 178.263 176.300 -0.024 0.000 1.131 123 R CA 2.004 58.087 56.100 -0.028 0.000 0.960 123 R CB -0.463 29.819 30.300 -0.031 0.000 0.856 123 R HN 0.390 nan 8.270 nan 0.000 0.436 124 D N 0.190 120.567 120.400 -0.038 0.000 2.092 124 D HA -0.192 4.453 4.640 0.007 0.000 0.193 124 D C 1.955 178.250 176.300 -0.009 0.000 0.994 124 D CA 1.317 55.298 54.000 -0.032 0.000 0.828 124 D CB 0.189 40.947 40.800 -0.070 0.000 0.963 124 D HN 0.058 nan 8.370 nan 0.000 0.450 125 Q N 0.154 119.951 119.800 -0.005 0.000 2.079 125 Q HA -0.147 4.197 4.340 0.007 0.000 0.200 125 Q C 2.194 178.208 176.000 0.023 0.000 0.974 125 Q CA 1.008 56.824 55.803 0.021 0.000 0.840 125 Q CB -0.373 28.386 28.738 0.034 0.000 0.898 125 Q HN 0.396 nan 8.270 nan 0.000 0.430 126 K N 0.499 120.907 120.400 0.014 0.000 2.057 126 K HA -0.086 4.238 4.320 0.007 0.000 0.207 126 K C 2.041 178.647 176.600 0.009 0.000 1.049 126 K CA 1.105 57.399 56.287 0.012 0.000 0.931 126 K CB -0.057 32.444 32.500 0.002 0.000 0.714 126 K HN 0.138 nan 8.250 nan 0.000 0.440 127 A N 1.328 124.150 122.820 0.004 0.000 1.902 127 A HA -0.189 4.135 4.320 0.007 0.000 0.217 127 A C 2.128 179.720 177.584 0.013 0.000 1.181 127 A CA 1.588 53.628 52.037 0.005 0.000 0.623 127 A CB -0.583 18.417 19.000 0.000 0.000 0.818 127 A HN 0.361 nan 8.150 nan 0.000 0.443 128 R N -0.496 120.016 120.500 0.018 0.000 2.094 128 R HA -0.140 4.205 4.340 0.007 0.000 0.239 128 R C 2.008 178.326 176.300 0.030 0.000 1.137 128 R CA 2.030 58.146 56.100 0.027 0.000 0.943 128 R CB -0.503 29.818 30.300 0.035 0.000 0.850 128 R HN 0.316 nan 8.270 nan 0.000 0.433 129 V N 1.050 120.983 119.914 0.031 0.000 2.343 129 V HA -0.226 3.898 4.120 0.007 0.000 0.247 129 V C 1.976 178.086 176.094 0.028 0.000 1.051 129 V CA 2.071 64.391 62.300 0.035 0.000 1.036 129 V CB -0.436 31.410 31.823 0.038 0.000 0.654 129 V HN 0.435 nan 8.190 nan 0.000 0.451 130 E N 0.068 120.281 120.200 0.021 0.000 2.152 130 E HA -0.091 4.264 4.350 0.007 0.000 0.192 130 E C 2.257 178.867 176.600 0.016 0.000 0.983 130 E CA 1.027 57.437 56.400 0.017 0.000 0.818 130 E CB -0.275 29.431 29.700 0.010 0.000 0.758 130 E HN 0.601 nan 8.360 nan 0.000 0.467 131 A N 1.336 124.166 122.820 0.017 0.000 2.015 131 A HA -0.182 4.143 4.320 0.007 0.000 0.219 131 A C 1.646 179.241 177.584 0.018 0.000 1.163 131 A CA 1.074 53.120 52.037 0.016 0.000 0.646 131 A CB -0.225 18.785 19.000 0.016 0.000 0.806 131 A HN 0.142 nan 8.150 nan 0.000 0.448 132 E N -1.221 118.992 120.200 0.023 0.000 2.502 132 E HA 0.274 4.629 4.350 0.007 0.000 0.194 132 E C 1.045 177.659 176.600 0.023 0.000 1.062 132 E CA 0.228 56.642 56.400 0.025 0.000 0.867 132 E CB -0.114 29.604 29.700 0.031 0.000 0.888 132 E HN 0.694 nan 8.360 nan 0.000 0.510 133 G N 1.175 109.989 108.800 0.022 0.000 2.143 133 G HA2 -0.265 3.700 3.960 0.007 0.000 0.248 133 G HA3 -0.265 3.700 3.960 0.007 0.000 0.248 133 G C 0.473 175.390 174.900 0.028 0.000 0.991 133 G CA -0.098 45.015 45.100 0.022 0.000 0.689 133 G HN 0.489 nan 8.290 nan 0.000 0.522 134 G N -0.767 108.051 108.800 0.031 0.000 2.557 134 G HA2 0.634 4.599 3.960 0.007 0.000 0.292 134 G HA3 0.634 4.599 3.960 0.007 0.000 0.292 134 G C -0.219 174.702 174.900 0.036 0.000 1.237 134 G CA -0.004 45.118 45.100 0.037 0.000 0.978 134 G HN 0.716 nan 8.290 nan 0.000 0.498 135 K N -0.714 119.710 120.400 0.040 0.000 2.413 135 K HA 0.658 4.982 4.320 0.007 0.000 0.257 135 K C -0.531 176.082 176.600 0.023 0.000 0.946 135 K CA -0.376 55.931 56.287 0.034 0.000 0.823 135 K CB 1.426 33.955 32.500 0.047 0.000 1.109 135 K HN 0.648 nan 8.250 nan 0.000 0.427 136 A N 4.993 127.818 122.820 0.009 0.000 2.350 136 A HA 0.769 5.093 4.320 0.007 0.000 0.324 136 A C -1.347 176.220 177.584 -0.028 0.000 1.118 136 A CA -0.836 51.203 52.037 0.003 0.000 0.783 136 A CB 0.708 19.717 19.000 0.015 0.000 1.236 136 A HN 0.690 nan 8.150 nan 0.000 0.457 137 L N 2.081 123.283 121.223 -0.034 0.000 2.386 137 L HA 0.523 4.868 4.340 0.007 0.000 0.271 137 L C -0.938 175.930 176.870 -0.003 0.000 0.993 137 L CA -1.008 53.787 54.840 -0.074 0.000 0.819 137 L CB 2.226 44.195 42.059 -0.150 0.000 1.294 137 L HN 0.429 nan 8.230 nan 0.000 0.414 138 V N 4.803 124.718 119.914 0.002 0.000 2.350 138 V HA 0.419 4.543 4.120 0.007 0.000 0.276 138 V C -0.067 176.077 176.094 0.084 0.000 1.028 138 V CA -0.292 62.057 62.300 0.081 0.000 0.860 138 V CB 1.386 33.258 31.823 0.082 0.000 0.990 138 V HN 0.474 nan 8.190 nan 0.000 0.453 139 L N 4.280 125.574 121.223 0.119 0.000 2.356 139 L HA 0.619 4.964 4.340 0.007 0.000 0.277 139 L C -0.757 176.085 176.870 -0.048 0.000 0.996 139 L CA -0.510 54.385 54.840 0.091 0.000 0.822 139 L CB 2.140 44.265 42.059 0.109 0.000 1.256 139 L HN 0.502 nan 8.230 nan 0.000 0.413 140 D N 1.869 122.161 120.400 -0.181 0.000 2.344 140 D HA 0.286 4.931 4.640 0.007 0.000 0.239 140 D C 0.857 177.044 176.300 -0.189 0.000 1.064 140 D CA -0.396 53.277 54.000 -0.545 0.000 0.829 140 D CB 2.285 42.816 40.800 -0.447 0.000 1.129 140 D HN 0.629 nan 8.370 nan 0.000 0.506 141 G N 2.227 110.977 108.800 -0.083 0.000 2.848 141 G HA2 0.426 4.391 3.960 0.007 0.000 0.208 141 G HA3 0.426 4.391 3.960 0.007 0.000 0.208 141 G C 0.860 175.872 174.900 0.187 0.000 1.152 141 G CA 0.322 45.523 45.100 0.167 0.000 0.789 141 G HN 0.937 nan 8.290 nan 0.000 0.531 142 G N -0.158 108.632 108.800 -0.015 0.000 2.710 142 G HA2 0.097 4.062 3.960 0.007 0.000 0.668 142 G HA3 0.097 4.062 3.960 0.007 0.000 0.668 142 G C -0.198 174.650 174.900 -0.087 0.000 1.320 142 G CA -0.141 44.900 45.100 -0.098 0.000 0.860 142 G HN 0.593 nan 8.290 nan 0.000 0.538 143 D N -1.276 118.965 120.400 -0.266 0.000 2.699 143 D HA -0.136 4.508 4.640 0.007 0.000 0.239 143 D C 1.407 177.411 176.300 -0.493 0.000 1.136 143 D CA 2.156 55.910 54.000 -0.410 0.000 0.668 143 D CB -1.299 39.288 40.800 -0.354 0.000 1.060 143 D HN 0.821 nan 8.370 nan 0.000 0.429 144 T N -2.344 112.021 114.554 -0.315 0.000 3.045 144 T HA -0.021 4.333 4.350 0.007 0.000 0.239 144 T C 1.506 176.237 174.700 0.052 0.000 1.008 144 T CA 0.222 62.265 62.100 -0.094 0.000 1.143 144 T CB 0.027 68.912 68.868 0.028 0.000 0.894 144 T HN 0.202 nan 8.240 nan 0.000 0.451 145 W N 3.516 124.713 121.300 -0.172 0.000 2.595 145 W HA 0.215 4.880 4.660 0.007 0.000 0.257 145 W C 1.343 177.743 176.519 -0.198 0.000 1.267 145 W CA 0.109 57.355 57.345 -0.164 0.000 1.300 145 W CB -1.334 28.012 29.460 -0.190 0.000 1.120 145 W HN 0.275 nan 8.180 nan 0.000 0.618 146 T N -2.671 111.857 114.554 -0.043 0.000 2.927 146 T HA 0.434 4.789 4.350 0.007 0.000 0.286 146 T C 0.090 174.582 174.700 -0.346 0.000 1.040 146 T CA -0.564 61.434 62.100 -0.170 0.000 1.010 146 T CB 1.533 70.314 68.868 -0.145 0.000 1.177 146 T HN 0.134 nan 8.240 nan 0.000 0.546 147 N N -0.357 118.069 118.700 -0.457 0.000 2.814 147 N HA -0.124 4.621 4.740 0.007 0.000 0.247 147 N C -0.478 174.789 175.510 -0.404 0.000 1.089 147 N CA 0.658 53.297 53.050 -0.685 0.000 0.682 147 N CB -1.721 35.874 38.487 -1.486 0.000 0.970 147 N HN 1.108 nan 8.380 nan 0.000 0.554 148 S N -3.215 112.328 115.700 -0.262 0.000 2.615 148 S HA 0.733 5.207 4.470 0.007 0.000 0.269 148 S C 1.149 175.646 174.600 -0.172 0.000 1.161 148 S CA -0.536 57.557 58.200 -0.178 0.000 0.817 148 S CB 1.390 64.464 63.200 -0.209 0.000 1.131 148 S HN 0.203 nan 8.310 nan 0.000 0.467 149 G N 0.621 109.376 108.800 -0.076 0.000 2.433 149 G HA2 -0.108 3.856 3.960 0.007 0.000 0.216 149 G HA3 -0.108 3.856 3.960 0.007 0.000 0.216 149 G C 1.227 175.987 174.900 -0.234 0.000 1.186 149 G CA 1.055 46.060 45.100 -0.159 0.000 0.779 149 G HN 0.840 nan 8.290 nan 0.000 0.543 150 L N 1.031 122.174 121.223 -0.134 0.000 2.043 150 L HA -0.072 4.272 4.340 0.007 0.000 0.212 150 L C 2.904 179.667 176.870 -0.179 0.000 1.075 150 L CA 2.637 57.392 54.840 -0.141 0.000 0.752 150 L CB -0.720 41.254 42.059 -0.141 0.000 0.891 150 L HN 0.257 nan 8.230 nan 0.000 0.432 151 S N -0.997 114.591 115.700 -0.187 0.000 2.345 151 S HA -0.150 4.324 4.470 0.007 0.000 0.220 151 S C 2.036 176.513 174.600 -0.206 0.000 1.031 151 S CA 1.555 59.650 58.200 -0.175 0.000 0.996 151 S CB -0.436 62.665 63.200 -0.165 0.000 0.882 151 S HN 0.494 nan 8.310 nan 0.000 0.445 152 L N 0.904 121.960 121.223 -0.279 0.000 2.083 152 L HA -0.046 4.299 4.340 0.007 0.000 0.209 152 L C 2.339 179.025 176.870 -0.307 0.000 1.083 152 L CA 1.017 55.673 54.840 -0.307 0.000 0.752 152 L CB -0.454 41.310 42.059 -0.492 0.000 0.899 152 L HN 0.345 nan 8.230 nan 0.000 0.433 153 L N -0.641 120.366 121.223 -0.360 0.000 2.362 153 L HA -0.111 4.233 4.340 0.007 0.000 0.219 153 L C 1.886 178.613 176.870 -0.238 0.000 1.134 153 L CA 1.410 56.031 54.840 -0.366 0.000 0.807 153 L CB -0.434 41.327 42.059 -0.498 0.000 0.927 153 L HN 0.444 nan 8.230 nan 0.000 0.447 154 T N -5.339 109.103 114.554 -0.187 0.000 3.170 154 T HA 0.204 4.558 4.350 0.007 0.000 0.288 154 T C 0.751 175.373 174.700 -0.128 0.000 0.992 154 T CA -0.557 61.464 62.100 -0.133 0.000 0.909 154 T CB 0.171 68.973 68.868 -0.109 0.000 1.133 154 T HN 0.136 nan 8.240 nan 0.000 0.530 155 R N 0.966 121.386 120.500 -0.133 0.000 3.405 155 R HA -0.201 4.144 4.340 0.007 0.000 0.258 155 R C 1.410 177.621 176.300 -0.149 0.000 1.030 155 R CA 0.625 56.655 56.100 -0.117 0.000 0.691 155 R CB -2.044 28.203 30.300 -0.089 0.000 1.093 155 R HN 0.994 nan 8.270 nan 0.000 0.448 156 G N -0.521 108.182 108.800 -0.161 0.000 2.267 156 G HA2 -0.433 3.532 3.960 0.007 0.000 0.257 156 G HA3 -0.433 3.532 3.960 0.007 0.000 0.257 156 G C 0.623 175.342 174.900 -0.302 0.000 0.998 156 G CA 0.729 45.701 45.100 -0.214 0.000 0.620 156 G HN 0.572 nan 8.290 nan 0.000 0.529 157 E N 0.762 120.821 120.200 -0.235 0.000 2.097 157 E HA -0.050 4.304 4.350 0.007 0.000 0.196 157 E C 2.803 179.353 176.600 -0.083 0.000 1.000 157 E CA 1.984 58.265 56.400 -0.198 0.000 0.804 157 E CB -0.390 29.236 29.700 -0.123 0.000 0.740 157 E HN 0.953 nan 8.360 nan 0.000 0.454 158 A N 0.392 123.209 122.820 -0.006 0.000 1.972 158 A HA -0.129 4.195 4.320 0.007 0.000 0.219 158 A C 2.366 180.087 177.584 0.228 0.000 1.169 158 A CA 1.441 53.585 52.037 0.179 0.000 0.635 158 A CB -0.500 18.532 19.000 0.054 0.000 0.810 158 A HN 0.235 nan 8.150 nan 0.000 0.446 159 V N -0.430 119.525 119.914 0.069 0.000 2.358 159 V HA -0.210 3.914 4.120 0.007 0.000 0.246 159 V C 2.526 178.733 176.094 0.188 0.000 1.047 159 V CA 1.890 64.288 62.300 0.164 0.000 1.035 159 V CB -0.865 31.025 31.823 0.111 0.000 0.658 159 V HN 0.366 nan 8.190 nan 0.000 0.452 160 V N 0.034 119.880 119.914 -0.114 0.000 2.343 160 V HA -0.238 3.886 4.120 0.007 0.000 0.247 160 V C 2.610 178.698 176.094 -0.010 0.000 1.051 160 V CA 1.963 64.189 62.300 -0.123 0.000 1.036 160 V CB -0.823 30.755 31.823 -0.408 0.000 0.654 160 V HN 0.462 nan 8.190 nan 0.000 0.451 161 R N -1.252 119.231 120.500 -0.030 0.000 2.120 161 R HA -0.233 4.111 4.340 0.007 0.000 0.234 161 R C 2.134 178.258 176.300 -0.293 0.000 1.123 161 R CA 2.037 58.047 56.100 -0.150 0.000 0.975 161 R CB -0.431 29.807 30.300 -0.103 0.000 0.866 161 R HN 0.719 nan 8.270 nan 0.000 0.446 162 W N 2.110 123.257 121.300 -0.255 0.000 2.381 162 W HA -0.148 4.516 4.660 0.006 0.000 0.301 162 W C 1.806 178.270 176.519 -0.091 0.000 1.205 162 W CA 1.146 58.358 57.345 -0.223 0.000 1.285 162 W CB -0.222 29.206 29.460 -0.054 0.000 1.133 162 W HN 0.008 nan 8.180 nan 0.000 0.521 163 Q N 0.155 119.710 119.800 -0.408 0.000 2.135 163 Q HA -0.248 4.097 4.340 0.007 0.000 0.204 163 Q C 1.883 177.651 176.000 -0.386 0.000 0.981 163 Q CA 1.814 57.304 55.803 -0.523 0.000 0.856 163 Q CB -0.480 28.330 28.738 0.121 0.000 0.902 163 Q HN 0.318 nan 8.270 nan 0.000 0.425 164 N N 0.306 118.853 118.700 -0.254 0.000 2.244 164 N HA -0.085 4.659 4.740 0.007 0.000 0.183 164 N C 1.695 177.032 175.510 -0.288 0.000 1.016 164 N CA 0.848 53.757 53.050 -0.236 0.000 0.866 164 N CB -0.120 38.260 38.487 -0.178 0.000 0.980 164 N HN 0.219 nan 8.380 nan 0.000 0.430 165 L N 0.408 121.409 121.223 -0.369 0.000 2.056 165 L HA -0.094 4.251 4.340 0.007 0.000 0.207 165 L C 2.348 179.038 176.870 -0.300 0.000 1.078 165 L CA 0.868 55.520 54.840 -0.312 0.000 0.749 165 L CB -0.539 41.338 42.059 -0.304 0.000 0.901 165 L HN 0.090 nan 8.230 nan 0.000 0.433 166 V N -1.572 118.062 119.914 -0.466 0.000 2.453 166 V HA 0.174 4.298 4.120 0.007 0.000 0.247 166 V C 1.130 177.079 176.094 -0.243 0.000 1.048 166 V CA 0.925 63.011 62.300 -0.358 0.000 1.049 166 V CB -0.820 30.691 31.823 -0.521 0.000 0.672 166 V HN 0.538 nan 8.190 nan 0.000 0.457 167 G N 0.171 108.814 108.800 -0.261 0.000 2.956 167 G HA2 -0.090 3.875 3.960 0.007 0.000 0.263 167 G HA3 -0.090 3.875 3.960 0.007 0.000 0.263 167 G C -0.481 174.334 174.900 -0.141 0.000 1.090 167 G CA -0.223 44.765 45.100 -0.186 0.000 1.185 167 G HN 0.968 nan 8.290 nan 0.000 0.566 168 V N 2.001 121.842 119.914 -0.121 0.000 2.461 168 V HA 0.239 4.363 4.120 0.007 0.000 0.275 168 V C 1.240 177.279 176.094 -0.092 0.000 1.047 168 V CA 0.072 62.369 62.300 -0.005 0.000 0.955 168 V CB 1.430 33.365 31.823 0.187 0.000 0.988 168 V HN 0.569 nan 8.190 nan 0.000 0.471 169 D N 1.918 122.252 120.400 -0.109 0.000 2.137 169 D HA 0.020 4.664 4.640 0.007 0.000 0.202 169 D C 0.477 176.525 176.300 -0.420 0.000 0.970 169 D CA 1.357 55.178 54.000 -0.298 0.000 0.837 169 D CB 0.309 40.906 40.800 -0.338 0.000 0.981 169 D HN 0.595 nan 8.370 nan 0.000 0.475 170 H N -1.161 117.975 119.070 0.109 0.000 3.016 170 H HA 0.482 5.042 4.556 0.007 0.000 0.362 170 H C -0.318 175.089 175.328 0.132 0.000 1.233 170 H CA -0.630 55.504 56.048 0.143 0.000 1.124 170 H CB 2.212 32.013 29.762 0.065 0.000 1.850 170 H HN -0.056 nan 8.280 nan 0.000 0.549 171 M N 0.653 120.367 119.600 0.189 0.000 2.569 171 M HA 0.648 5.133 4.480 0.007 0.000 0.279 171 M C -1.320 174.735 176.300 -0.408 0.000 1.253 171 M CA -0.950 54.296 55.300 -0.089 0.000 0.867 171 M CB 2.654 35.142 32.600 -0.187 0.000 1.727 171 M HN 0.346 nan 8.290 nan 0.000 0.467 172 V N -0.758 118.934 119.914 -0.369 0.000 3.184 172 V HA 1.011 5.135 4.120 0.007 0.000 0.308 172 V C -0.383 175.563 176.094 -0.248 0.000 1.243 172 V CA 0.004 62.024 62.300 -0.468 0.000 1.058 172 V CB 1.277 32.990 31.823 -0.184 0.000 1.183 172 V HN 1.254 nan 8.190 nan 0.000 0.471 173 S N -1.763 113.920 115.700 -0.029 0.000 2.638 173 S HA 0.724 5.199 4.470 0.007 0.000 0.274 173 S C -0.390 174.257 174.600 0.079 0.000 1.157 173 S CA 0.246 58.462 58.200 0.028 0.000 0.826 173 S CB 1.993 65.376 63.200 0.306 0.000 1.139 173 S HN 1.469 nan 8.310 nan 0.000 0.474 174 H N -0.921 118.063 119.070 -0.144 0.000 4.940 174 H HA 0.143 4.703 4.556 0.007 0.000 0.098 174 H C 0.024 175.337 175.328 -0.024 0.000 1.282 174 H CA -0.202 55.802 56.048 -0.074 0.000 0.817 174 H CB -0.485 29.043 29.762 -0.391 0.000 1.352 174 H HN 0.559 nan 8.280 nan 0.000 0.128 175 W N 2.357 123.366 121.300 -0.485 0.000 2.468 175 W HA -0.009 4.656 4.660 0.008 0.000 0.262 175 W C 1.922 178.240 176.519 -0.335 0.000 1.241 175 W CA 1.175 58.226 57.345 -0.489 0.000 1.232 175 W CB 0.111 29.295 29.460 -0.459 0.000 1.124 175 W HN 0.493 nan 8.180 nan 0.000 0.597 176 E N -1.112 118.969 120.200 -0.199 0.000 2.130 176 E HA -0.239 4.115 4.350 0.007 0.000 0.196 176 E C 1.435 177.821 176.600 -0.357 0.000 0.998 176 E CA 1.743 57.930 56.400 -0.355 0.000 0.806 176 E CB -0.777 28.427 29.700 -0.828 0.000 0.738 176 E HN 0.415 nan 8.360 nan 0.000 0.459 177 W N 0.456 121.685 121.300 -0.118 0.000 2.611 177 W HA -0.075 4.590 4.660 0.008 0.000 0.251 177 W C 1.950 178.305 176.519 -0.274 0.000 1.265 177 W CA 1.317 58.603 57.345 -0.099 0.000 1.295 177 W CB -0.505 28.940 29.460 -0.024 0.000 1.129 177 W HN 0.108 nan 8.180 nan 0.000 0.630 178 T N -2.349 112.056 114.554 -0.248 0.000 3.160 178 T HA -0.016 4.339 4.350 0.007 0.000 0.257 178 T C 1.390 175.618 174.700 -0.786 0.000 1.147 178 T CA 0.589 62.307 62.100 -0.637 0.000 1.064 178 T CB -0.381 68.457 68.868 -0.052 0.000 0.949 178 T HN 0.189 nan 8.240 nan 0.000 0.526 179 L N 0.698 121.689 121.223 -0.386 0.000 2.509 179 L HA 0.384 4.728 4.340 0.007 0.000 0.222 179 L C 1.422 178.179 176.870 -0.188 0.000 1.123 179 L CA 0.269 54.969 54.840 -0.234 0.000 0.856 179 L CB -0.717 41.281 42.059 -0.102 0.000 0.985 179 L HN 0.648 nan 8.230 nan 0.000 0.456 180 G N 0.015 108.701 108.800 -0.190 0.000 2.719 180 G HA2 -0.194 3.770 3.960 0.007 0.000 0.686 180 G HA3 -0.194 3.770 3.960 0.007 0.000 0.686 180 G C 0.242 175.272 174.900 0.217 0.000 1.201 180 G CA -0.474 44.707 45.100 0.135 0.000 0.768 180 G HN 0.088 nan 8.290 nan 0.000 0.629 181 R N 0.602 121.320 120.500 0.364 0.000 2.096 181 R HA -0.153 4.191 4.340 0.007 0.000 0.240 181 R C 2.465 178.903 176.300 0.230 0.000 1.139 181 R CA 2.298 58.651 56.100 0.421 0.000 0.952 181 R CB -0.222 30.297 30.300 0.366 0.000 0.854 181 R HN 0.813 nan 8.270 nan 0.000 0.436 182 E N -0.110 120.189 120.200 0.164 0.000 2.038 182 E HA -0.245 4.109 4.350 0.007 0.000 0.195 182 E C 2.113 178.745 176.600 0.053 0.000 1.000 182 E CA 1.158 57.619 56.400 0.101 0.000 0.803 182 E CB -0.120 29.632 29.700 0.087 0.000 0.750 182 E HN 0.071 nan 8.360 nan 0.000 0.448 183 R N 1.032 121.551 120.500 0.032 0.000 2.092 183 R HA -0.099 4.245 4.340 0.007 0.000 0.231 183 R C 2.098 178.361 176.300 -0.062 0.000 1.119 183 R CA 0.951 57.035 56.100 -0.026 0.000 0.970 183 R CB -0.675 29.601 30.300 -0.040 0.000 0.864 183 R HN 0.027 nan 8.270 nan 0.000 0.440 184 V N 1.265 121.144 119.914 -0.060 0.000 2.343 184 V HA -0.231 3.894 4.120 0.007 0.000 0.247 184 V C 2.032 178.085 176.094 -0.067 0.000 1.051 184 V CA 2.258 64.488 62.300 -0.117 0.000 1.036 184 V CB -0.479 31.032 31.823 -0.520 0.000 0.654 184 V HN 0.435 nan 8.190 nan 0.000 0.451 185 E N -0.199 120.002 120.200 0.001 0.000 2.110 185 E HA -0.282 4.073 4.350 0.007 0.000 0.193 185 E C 2.221 178.831 176.600 0.017 0.000 0.988 185 E CA 1.379 57.809 56.400 0.049 0.000 0.804 185 E CB -0.119 29.637 29.700 0.094 0.000 0.745 185 E HN 0.729 nan 8.360 nan 0.000 0.458 186 E N 1.136 121.327 120.200 -0.015 0.000 2.077 186 E HA -0.173 4.181 4.350 0.007 0.000 0.193 186 E C 2.171 178.723 176.600 -0.080 0.000 0.989 186 E CA 0.677 57.054 56.400 -0.037 0.000 0.800 186 E CB 0.021 29.692 29.700 -0.048 0.000 0.746 186 E HN 0.193 nan 8.360 nan 0.000 0.452 187 L N 0.607 121.733 121.223 -0.162 0.000 2.141 187 L HA -0.145 4.199 4.340 0.007 0.000 0.209 187 L C 2.486 179.271 176.870 -0.142 0.000 1.094 187 L CA 0.564 55.213 54.840 -0.317 0.000 0.763 187 L CB -0.240 41.351 42.059 -0.780 0.000 0.908 187 L HN 0.270 nan 8.230 nan 0.000 0.437 188 L N -0.527 120.703 121.223 0.013 0.000 2.275 188 L HA -0.094 4.250 4.340 0.007 0.000 0.215 188 L C 2.554 179.517 176.870 0.155 0.000 1.119 188 L CA 0.974 55.911 54.840 0.162 0.000 0.790 188 L CB -0.823 41.291 42.059 0.092 0.000 0.919 188 L HN 0.304 nan 8.230 nan 0.000 0.443 189 G N 0.027 108.869 108.800 0.069 0.000 2.408 189 G HA2 -0.244 3.720 3.960 0.007 0.000 0.217 189 G HA3 -0.244 3.720 3.960 0.007 0.000 0.217 189 G C 1.534 176.457 174.900 0.038 0.000 1.150 189 G CA 0.436 45.566 45.100 0.051 0.000 0.776 189 G HN 0.233 nan 8.290 nan 0.000 0.542 190 L N -0.385 120.850 121.223 0.019 0.000 2.131 190 L HA 0.398 4.742 4.340 0.007 0.000 0.206 190 L C 0.930 177.836 176.870 0.059 0.000 1.087 190 L CA -0.092 54.749 54.840 0.002 0.000 0.767 190 L CB -0.519 41.506 42.059 -0.056 0.000 0.917 190 L HN 0.097 nan 8.230 nan 0.000 0.441 191 F N 1.058 120.980 119.950 -0.047 0.000 2.590 191 F HA 0.014 4.545 4.527 0.007 0.000 0.389 191 F C 1.503 177.313 175.800 0.018 0.000 1.049 191 F CA 0.419 58.429 58.000 0.016 0.000 1.199 191 F CB 0.229 39.317 39.000 0.146 0.000 1.058 191 F HN 0.042 nan 8.300 nan 0.000 0.556 192 R N 3.459 123.687 120.500 -0.453 0.000 2.275 192 R HA 0.143 4.488 4.340 0.007 0.000 0.199 192 R C 1.327 177.249 176.300 -0.630 0.000 0.989 192 R CA 0.357 56.203 56.100 -0.422 0.000 1.016 192 R CB -0.174 29.962 30.300 -0.272 0.000 0.918 192 R HN 0.781 nan 8.270 nan 0.000 0.473 193 G N 0.736 108.729 108.800 -1.345 0.000 2.588 193 G HA2 0.020 3.985 3.960 0.007 0.000 0.278 193 G HA3 0.020 3.985 3.960 0.007 0.000 0.278 193 G C -0.977 173.608 174.900 -0.524 0.000 1.307 193 G CA -0.474 44.026 45.100 -1.000 0.000 1.016 193 G HN 0.121 nan 8.290 nan 0.000 0.503 194 E N -0.668 119.497 120.200 -0.057 0.000 2.129 194 E HA 0.330 4.685 4.350 0.007 0.000 0.268 194 E C -1.236 175.669 176.600 0.509 0.000 0.900 194 E CA -0.724 55.831 56.400 0.258 0.000 0.755 194 E CB 0.792 30.651 29.700 0.265 0.000 1.117 194 E HN 0.232 nan 8.360 nan 0.000 0.410 195 F N 5.528 125.687 119.950 0.348 0.000 2.495 195 F HA 0.294 4.825 4.527 0.008 0.000 0.365 195 F C -1.000 174.840 175.800 0.065 0.000 1.090 195 F CA -0.033 58.057 58.000 0.149 0.000 1.235 195 F CB 0.391 39.329 39.000 -0.103 0.000 1.119 195 F HN 0.390 nan 8.300 nan 0.000 0.562 196 L N 4.985 125.911 121.223 -0.495 0.000 2.354 196 L HA 0.642 4.987 4.340 0.007 0.000 0.269 196 L C -0.681 175.969 176.870 -0.366 0.000 1.005 196 L CA -0.732 53.956 54.840 -0.253 0.000 0.819 196 L CB 2.087 44.024 42.059 -0.203 0.000 1.311 196 L HN 0.562 nan 8.230 nan 0.000 0.423 197 S N -0.355 115.341 115.700 -0.007 0.000 2.561 197 S HA 0.114 4.589 4.470 0.007 0.000 0.292 197 S C -0.194 174.473 174.600 0.113 0.000 1.107 197 S CA -0.709 57.522 58.200 0.053 0.000 0.969 197 S CB 0.736 64.018 63.200 0.136 0.000 1.150 197 S HN 0.674 nan 8.310 nan 0.000 0.451 198 Y N 3.283 123.613 120.300 0.050 0.000 2.457 198 Y HA 0.124 4.678 4.550 0.007 0.000 0.292 198 Y C 1.504 177.414 175.900 0.017 0.000 1.125 198 Y CA 1.602 59.729 58.100 0.045 0.000 1.254 198 Y CB -0.134 38.352 38.460 0.043 0.000 1.012 198 Y HN 0.621 nan 8.280 nan 0.000 0.555 199 N N 1.117 119.205 118.700 -1.020 0.000 2.325 199 N HA 0.055 4.799 4.740 0.007 0.000 0.182 199 N C -0.085 175.117 175.510 -0.513 0.000 1.088 199 N CA 0.093 52.572 53.050 -0.952 0.000 0.879 199 N CB -0.165 37.604 38.487 -1.198 0.000 0.983 199 N HN 0.431 nan 8.380 nan 0.000 0.471 200 I N 2.545 122.874 120.570 -0.402 0.000 2.322 200 I HA 0.136 4.311 4.170 0.007 0.000 0.292 200 I C 0.099 176.007 176.117 -0.347 0.000 1.060 200 I CA -0.736 60.244 61.300 -0.533 0.000 1.309 200 I CB 0.940 38.701 38.000 -0.398 0.000 1.415 200 I HN -0.076 nan 8.210 nan 0.000 0.492 201 V N 1.752 121.458 119.914 -0.347 0.000 3.102 201 V HA 0.548 4.672 4.120 0.007 0.000 0.312 201 V C -0.618 175.362 176.094 -0.188 0.000 1.135 201 V CA -1.025 61.143 62.300 -0.220 0.000 1.022 201 V CB 2.021 33.757 31.823 -0.144 0.000 1.056 201 V HN 0.623 nan 8.190 nan 0.000 0.436 202 D N 1.511 121.841 120.400 -0.116 0.000 2.389 202 D HA 0.173 4.817 4.640 0.007 0.000 0.247 202 D C 0.876 177.165 176.300 -0.019 0.000 1.128 202 D CA 0.410 54.377 54.000 -0.055 0.000 0.884 202 D CB 1.348 42.155 40.800 0.011 0.000 1.194 202 D HN 0.865 nan 8.370 nan 0.000 0.441 203 D N 3.028 123.418 120.400 -0.016 0.000 2.363 203 D HA -0.124 4.521 4.640 0.007 0.000 0.220 203 D C 1.295 177.587 176.300 -0.013 0.000 0.994 203 D CA 0.244 54.234 54.000 -0.018 0.000 0.890 203 D CB 0.020 40.808 40.800 -0.020 0.000 0.906 203 D HN 0.377 nan 8.370 nan 0.000 0.530 204 L N -1.843 119.392 121.223 0.020 0.000 2.445 204 L HA 0.359 4.704 4.340 0.007 0.000 0.207 204 L C 1.425 178.204 176.870 -0.151 0.000 1.053 204 L CA 0.835 55.634 54.840 -0.068 0.000 0.841 204 L CB -0.154 41.870 42.059 -0.058 0.000 1.074 204 L HN -0.114 nan 8.230 nan 0.000 0.479 205 F N -0.242 119.683 119.950 -0.042 0.000 2.678 205 F HA 0.406 4.938 4.527 0.007 0.000 0.291 205 F C 1.843 177.616 175.800 -0.044 0.000 1.123 205 F CA 0.628 58.604 58.000 -0.039 0.000 1.395 205 F CB 0.189 39.165 39.000 -0.041 0.000 1.121 205 F HN 0.166 nan 8.300 nan 0.000 0.592 206 G N 0.721 109.594 108.800 0.121 0.000 2.159 206 G HA2 -0.261 3.703 3.960 0.007 0.000 0.256 206 G HA3 -0.261 3.703 3.960 0.007 0.000 0.256 206 G C -0.288 174.623 174.900 0.018 0.000 0.977 206 G CA 0.184 45.307 45.100 0.038 0.000 0.652 206 G HN 0.410 nan 8.290 nan 0.000 0.531 207 D N 0.689 121.104 120.400 0.025 0.000 2.390 207 D HA 0.408 5.053 4.640 0.007 0.000 0.249 207 D C -2.588 173.664 176.300 -0.081 0.000 1.144 207 D CA -1.480 52.502 54.000 -0.030 0.000 0.880 207 D CB 1.139 41.902 40.800 -0.062 0.000 1.182 207 D HN 0.133 nan 8.370 nan 0.000 0.451 208 P HA 0.101 nan 4.420 nan 0.000 0.271 208 P C 0.607 177.799 177.300 -0.180 0.000 1.216 208 P CA -0.311 62.724 63.100 -0.108 0.000 0.776 208 P CB 0.814 32.488 31.700 -0.043 0.000 0.881 209 L N 1.072 122.107 121.223 -0.313 0.000 2.446 209 L HA 0.160 4.505 4.340 0.007 0.000 0.219 209 L C 0.237 176.626 176.870 -0.802 0.000 1.116 209 L CA 0.793 55.266 54.840 -0.612 0.000 0.844 209 L CB -0.232 41.313 42.059 -0.857 0.000 0.970 209 L HN 0.327 nan 8.230 nan 0.000 0.457 210 F N -1.466 118.517 119.950 0.056 0.000 2.650 210 F HA 0.524 5.055 4.527 0.008 0.000 0.320 210 F C -2.335 173.503 175.800 0.063 0.000 1.091 210 F CA -2.978 55.095 58.000 0.121 0.000 0.962 210 F CB 0.092 39.271 39.000 0.298 0.000 1.363 210 F HN -0.389 nan 8.300 nan 0.000 0.482 211 P HA 0.259 nan 4.420 nan 0.000 0.271 211 P C -0.198 177.143 177.300 0.069 0.000 1.216 211 P CA 0.015 63.158 63.100 0.072 0.000 0.776 211 P CB 1.038 32.754 31.700 0.026 0.000 0.881 212 A N 2.776 125.594 122.820 -0.003 0.000 1.970 212 A HA 0.072 4.397 4.320 0.007 0.000 0.216 212 A C 0.372 178.035 177.584 0.130 0.000 1.170 212 A CA 1.432 53.540 52.037 0.117 0.000 0.645 212 A CB -0.804 18.323 19.000 0.212 0.000 0.816 212 A HN 0.693 nan 8.150 nan 0.000 0.447 213 Y N -3.072 117.233 120.300 0.009 0.000 2.670 213 Y HA 0.755 5.310 4.550 0.007 0.000 0.334 213 Y C -0.798 175.072 175.900 -0.051 0.000 1.185 213 Y CA -1.936 56.135 58.100 -0.048 0.000 1.053 213 Y CB 0.684 39.121 38.460 -0.038 0.000 1.298 213 Y HN 0.121 nan 8.280 nan 0.000 0.459 214 R N 1.759 122.355 120.500 0.160 0.000 2.574 214 R HA 0.724 5.068 4.340 0.007 0.000 0.288 214 R C -2.230 174.154 176.300 0.140 0.000 1.004 214 R CA -0.516 55.636 56.100 0.086 0.000 0.895 214 R CB 1.499 31.839 30.300 0.066 0.000 1.191 214 R HN 0.866 nan 8.270 nan 0.000 0.444 215 I N 4.418 125.032 120.570 0.073 0.000 2.353 215 I HA 0.325 4.499 4.170 0.007 0.000 0.293 215 I C -0.002 176.048 176.117 -0.113 0.000 0.992 215 I CA -0.648 60.685 61.300 0.054 0.000 1.268 215 I CB 1.164 39.216 38.000 0.086 0.000 1.387 215 I HN 0.511 nan 8.210 nan 0.000 0.478 216 H N 6.062 125.191 119.070 0.099 0.000 2.524 216 H HA 0.441 5.002 4.556 0.008 0.000 0.353 216 H C -0.484 174.886 175.328 0.071 0.000 1.136 216 H CA -0.856 55.244 56.048 0.087 0.000 1.193 216 H CB 1.898 31.718 29.762 0.097 0.000 1.558 216 H HN 0.397 nan 8.280 nan 0.000 0.515 217 R N 1.705 122.305 120.500 0.167 0.000 2.347 217 R HA 0.226 4.570 4.340 0.007 0.000 0.304 217 R C -0.622 175.760 176.300 0.135 0.000 1.072 217 R CA -0.346 55.826 56.100 0.120 0.000 0.980 217 R CB 0.795 31.140 30.300 0.076 0.000 0.986 217 R HN 0.228 nan 8.270 nan 0.000 0.448 218 V N 4.160 124.162 119.914 0.145 0.000 2.315 218 V HA 0.245 4.369 4.120 0.007 0.000 0.265 218 V C 0.910 177.116 176.094 0.187 0.000 1.019 218 V CA 0.359 62.752 62.300 0.155 0.000 0.824 218 V CB 0.602 32.521 31.823 0.160 0.000 1.072 218 V HN 1.198 nan 8.190 nan 0.000 0.448 219 G N 6.297 115.164 108.800 0.111 0.000 2.565 219 G HA2 -0.228 3.737 3.960 0.007 0.000 0.295 219 G HA3 -0.228 3.737 3.960 0.007 0.000 0.295 219 G C -0.866 174.031 174.900 -0.005 0.000 1.165 219 G CA 0.473 45.613 45.100 0.067 0.000 0.977 219 G HN 0.539 nan 8.290 nan 0.000 0.546 220 P HA 0.280 nan 4.420 nan 0.000 0.261 220 P C -0.091 176.996 177.300 -0.355 0.000 1.268 220 P CA 0.594 63.519 63.100 -0.292 0.000 0.833 220 P CB 0.109 31.541 31.700 -0.447 0.000 1.231 221 Y N 0.616 120.925 120.300 0.016 0.000 2.545 221 Y HA 0.653 5.207 4.550 0.007 0.000 0.324 221 Y C 0.633 176.539 175.900 0.011 0.000 1.220 221 Y CA -1.341 56.763 58.100 0.006 0.000 1.290 221 Y CB 0.823 39.288 38.460 0.008 0.000 1.355 221 Y HN -0.187 nan 8.280 nan 0.000 0.516 222 A N 1.383 124.311 122.820 0.181 0.000 2.359 222 A HA 0.669 4.993 4.320 0.007 0.000 0.303 222 A C -2.045 175.590 177.584 0.085 0.000 1.066 222 A CA -0.560 51.542 52.037 0.109 0.000 0.730 222 A CB 1.019 20.054 19.000 0.058 0.000 1.211 222 A HN 0.624 nan 8.150 nan 0.000 0.439 223 L N 2.648 123.933 121.223 0.104 0.000 2.325 223 L HA 0.808 5.153 4.340 0.007 0.000 0.281 223 L C 0.163 177.096 176.870 0.104 0.000 1.004 223 L CA -0.139 54.748 54.840 0.077 0.000 0.823 223 L CB 1.455 43.565 42.059 0.085 0.000 1.236 223 L HN 0.875 nan 8.230 nan 0.000 0.415 224 A N 4.915 127.754 122.820 0.032 0.000 2.301 224 A HA 0.707 5.032 4.320 0.007 0.000 0.312 224 A C -0.912 176.697 177.584 0.041 0.000 1.182 224 A CA -0.505 51.550 52.037 0.030 0.000 0.826 224 A CB 0.944 19.860 19.000 -0.141 0.000 1.134 224 A HN 0.527 nan 8.150 nan 0.000 0.501 225 V N 3.990 123.957 119.914 0.089 0.000 2.334 225 V HA 0.327 4.451 4.120 0.007 0.000 0.281 225 V C -0.174 175.913 176.094 -0.011 0.000 1.016 225 V CA -0.407 61.897 62.300 0.007 0.000 0.832 225 V CB 1.150 32.957 31.823 -0.027 0.000 0.999 225 V HN 0.640 nan 8.190 nan 0.000 0.439 226 V N 3.954 123.863 119.914 -0.009 0.000 2.472 226 V HA 0.770 4.895 4.120 0.007 0.000 0.290 226 V C 0.797 176.894 176.094 0.006 0.000 1.037 226 V CA -0.277 62.047 62.300 0.041 0.000 0.908 226 V CB 1.788 33.614 31.823 0.006 0.000 0.985 226 V HN 0.898 nan 8.190 nan 0.000 0.454 227 G N 2.282 111.103 108.800 0.035 0.000 2.400 227 G HA2 0.724 4.688 3.960 0.007 0.000 0.333 227 G HA3 0.724 4.688 3.960 0.007 0.000 0.333 227 G C -0.799 174.194 174.900 0.156 0.000 1.143 227 G CA -0.396 44.710 45.100 0.010 0.000 0.914 227 G HN 1.151 nan 8.290 nan 0.000 0.480 228 A N 1.466 124.371 122.820 0.142 0.000 2.375 228 A HA 0.772 5.096 4.320 0.007 0.000 0.295 228 A C 0.056 177.732 177.584 0.154 0.000 1.066 228 A CA -0.480 51.697 52.037 0.232 0.000 0.722 228 A CB 1.522 20.723 19.000 0.334 0.000 1.206 228 A HN 0.709 nan 8.150 nan 0.000 0.435 229 S N 0.454 116.226 115.700 0.119 0.000 2.672 229 S HA 0.471 4.946 4.470 0.007 0.000 0.276 229 S C -0.338 174.404 174.600 0.237 0.000 1.207 229 S CA -0.243 58.096 58.200 0.231 0.000 1.002 229 S CB 0.373 63.785 63.200 0.353 0.000 0.998 229 S HN 0.634 nan 8.310 nan 0.000 0.542 230 Y N 4.487 124.844 120.300 0.096 0.000 2.721 230 Y HA 0.116 4.671 4.550 0.008 0.000 0.329 230 Y C -1.585 174.185 175.900 -0.217 0.000 1.211 230 Y CA -1.638 56.381 58.100 -0.135 0.000 1.512 230 Y CB 0.572 38.789 38.460 -0.403 0.000 1.249 230 Y HN 0.421 nan 8.280 nan 0.000 0.549 231 P HA -0.089 nan 4.420 nan 0.000 0.236 231 P C -0.334 176.320 177.300 -1.077 0.000 1.177 231 P CA 1.304 63.871 63.100 -0.887 0.000 0.773 231 P CB 0.138 31.177 31.700 -1.101 0.000 0.878 232 Y N -1.273 118.370 120.300 -1.095 0.000 2.708 232 Y HA 0.144 4.698 4.550 0.007 0.000 0.287 232 Y C 2.058 177.702 175.900 -0.426 0.000 1.145 232 Y CA -0.550 57.106 58.100 -0.740 0.000 1.249 232 Y CB -0.789 37.242 38.460 -0.715 0.000 1.152 232 Y HN -0.303 nan 8.280 nan 0.000 0.532 233 V N 0.235 119.932 119.914 -0.361 0.000 2.332 233 V HA -0.337 3.787 4.120 0.007 0.000 0.248 233 V C 2.125 178.151 176.094 -0.112 0.000 1.055 233 V CA 1.940 64.121 62.300 -0.199 0.000 1.038 233 V CB -0.303 30.982 31.823 -0.896 0.000 0.651 233 V HN 0.427 nan 8.190 nan 0.000 0.450 234 K N 0.397 120.686 120.400 -0.185 0.000 2.097 234 K HA -0.118 4.207 4.320 0.007 0.000 0.206 234 K C 1.965 178.532 176.600 -0.055 0.000 1.049 234 K CA 1.780 58.015 56.287 -0.086 0.000 0.933 234 K CB -0.380 32.086 32.500 -0.057 0.000 0.717 234 K HN 0.609 nan 8.250 nan 0.000 0.442 235 V N -2.614 117.270 119.914 -0.050 0.000 3.506 235 V HA 0.086 4.211 4.120 0.007 0.000 0.263 235 V C 1.446 177.491 176.094 -0.081 0.000 1.203 235 V CA 0.851 63.117 62.300 -0.057 0.000 1.133 235 V CB 0.621 32.416 31.823 -0.047 0.000 0.802 235 V HN 0.012 nan 8.190 nan 0.000 0.459 236 S N -0.430 115.199 115.700 -0.118 0.000 2.517 236 S HA 0.305 4.779 4.470 0.007 0.000 0.214 236 S C 0.366 174.554 174.600 -0.687 0.000 0.991 236 S CA -0.038 57.975 58.200 -0.312 0.000 0.906 236 S CB -0.146 62.906 63.200 -0.248 0.000 0.789 236 S HN 0.807 nan 8.310 nan 0.000 0.513 237 H N -0.382 118.693 119.070 0.008 0.000 2.990 237 H HA 0.336 4.897 4.556 0.007 0.000 0.343 237 H C -3.123 172.091 175.328 -0.191 0.000 1.270 237 H CA -2.190 53.821 56.048 -0.061 0.000 1.118 237 H CB 0.220 30.017 29.762 0.058 0.000 1.861 237 H HN -0.166 nan 8.280 nan 0.000 0.544 238 P HA -0.037 nan 4.420 nan 0.000 0.260 238 P C 0.374 177.482 177.300 -0.320 0.000 1.172 238 P CA 0.576 63.385 63.100 -0.485 0.000 0.760 238 P CB 0.759 31.850 31.700 -1.014 0.000 0.773 239 E N 1.477 121.552 120.200 -0.208 0.000 2.160 239 E HA -0.198 4.157 4.350 0.007 0.000 0.195 239 E C 1.878 178.427 176.600 -0.085 0.000 0.991 239 E CA 1.833 58.168 56.400 -0.107 0.000 0.810 239 E CB -0.432 29.215 29.700 -0.088 0.000 0.742 239 E HN 0.518 nan 8.360 nan 0.000 0.466 240 S N 0.117 115.710 115.700 -0.177 0.000 2.419 240 S HA -0.171 4.304 4.470 0.007 0.000 0.235 240 S C 1.680 176.318 174.600 0.063 0.000 1.019 240 S CA 0.729 58.870 58.200 -0.098 0.000 0.982 240 S CB -0.461 62.642 63.200 -0.163 0.000 0.789 240 S HN 0.134 nan 8.310 nan 0.000 0.490 241 F N 3.204 123.194 119.950 0.067 0.000 2.293 241 F HA 0.085 4.617 4.527 0.008 0.000 0.300 241 F C 2.409 178.313 175.800 0.174 0.000 1.086 241 F CA 1.037 59.114 58.000 0.129 0.000 1.375 241 F CB -1.071 38.006 39.000 0.129 0.000 1.045 241 F HN 0.502 nan 8.300 nan 0.000 0.516 242 T N -2.505 112.215 114.554 0.276 0.000 3.288 242 T HA 0.135 4.489 4.350 0.007 0.000 0.293 242 T C 0.183 174.947 174.700 0.107 0.000 1.008 242 T CA -0.606 61.601 62.100 0.179 0.000 0.929 242 T CB -0.757 68.165 68.868 0.090 0.000 1.152 242 T HN 0.327 nan 8.240 nan 0.000 0.517 243 E N 1.023 121.282 120.200 0.098 0.000 2.465 243 E HA 0.372 4.726 4.350 0.007 0.000 0.260 243 E C 1.172 177.802 176.600 0.050 0.000 0.980 243 E CA 0.416 56.850 56.400 0.056 0.000 0.927 243 E CB 0.004 29.732 29.700 0.047 0.000 0.934 243 E HN 0.440 nan 8.360 nan 0.000 0.459 244 G N 2.949 111.765 108.800 0.027 0.000 2.213 244 G HA2 -0.247 3.717 3.960 0.007 0.000 0.236 244 G HA3 -0.247 3.717 3.960 0.007 0.000 0.236 244 G C 0.049 174.940 174.900 -0.016 0.000 0.991 244 G CA 0.126 45.235 45.100 0.015 0.000 0.629 244 G HN 0.463 nan 8.290 nan 0.000 0.517 245 L N 0.803 122.012 121.223 -0.023 0.000 2.334 245 L HA 0.800 5.145 4.340 0.007 0.000 0.273 245 L C 0.232 177.075 176.870 -0.044 0.000 1.013 245 L CA -0.781 54.000 54.840 -0.098 0.000 0.816 245 L CB 2.121 44.071 42.059 -0.181 0.000 1.278 245 L HN 0.168 nan 8.230 nan 0.000 0.431 246 S N 0.432 116.052 115.700 -0.133 0.000 2.500 246 S HA 0.593 5.067 4.470 0.007 0.000 0.301 246 S C -0.316 174.167 174.600 -0.197 0.000 1.092 246 S CA -0.395 57.766 58.200 -0.065 0.000 1.030 246 S CB 0.855 64.007 63.200 -0.080 0.000 1.031 246 S HN 0.481 nan 8.310 nan 0.000 0.483 247 F N 2.252 122.064 119.950 -0.231 0.000 2.706 247 F HA 0.439 4.970 4.527 0.007 0.000 0.313 247 F C 1.363 176.976 175.800 -0.312 0.000 1.096 247 F CA -0.314 57.516 58.000 -0.282 0.000 1.219 247 F CB 0.310 39.127 39.000 -0.306 0.000 1.051 247 F HN 0.730 nan 8.300 nan 0.000 0.568 248 A N 1.457 124.217 122.820 -0.100 0.000 2.603 248 A HA 0.067 4.392 4.320 0.007 0.000 0.235 248 A C -0.065 177.418 177.584 -0.169 0.000 1.035 248 A CA -0.222 51.727 52.037 -0.145 0.000 0.755 248 A CB -0.176 18.775 19.000 -0.082 0.000 0.954 248 A HN 0.348 nan 8.150 nan 0.000 0.511 249 L N 2.190 123.291 121.223 -0.202 0.000 2.477 249 L HA 0.272 4.616 4.340 0.007 0.000 0.272 249 L C -0.197 176.692 176.870 0.032 0.000 1.157 249 L CA 0.620 55.401 54.840 -0.098 0.000 0.889 249 L CB 0.384 42.321 42.059 -0.203 0.000 1.158 249 L HN 0.644 nan 8.230 nan 0.000 0.473 250 D N 3.981 124.487 120.400 0.177 0.000 2.375 250 D HA 0.143 4.787 4.640 0.007 0.000 0.259 250 D C 0.645 177.063 176.300 0.197 0.000 1.235 250 D CA -0.204 53.903 54.000 0.179 0.000 0.924 250 D CB 0.787 41.690 40.800 0.171 0.000 1.143 250 D HN 0.735 nan 8.370 nan 0.000 0.529 251 E N 1.521 121.800 120.200 0.131 0.000 2.130 251 E HA -0.207 4.148 4.350 0.007 0.000 0.196 251 E C 1.706 178.321 176.600 0.025 0.000 0.998 251 E CA 0.770 57.214 56.400 0.073 0.000 0.806 251 E CB 0.428 30.186 29.700 0.098 0.000 0.738 251 E HN 0.369 nan 8.360 nan 0.000 0.459 252 R N 0.801 121.329 120.500 0.047 0.000 2.070 252 R HA -0.117 4.228 4.340 0.007 0.000 0.233 252 R C 2.475 178.792 176.300 0.028 0.000 1.137 252 R CA 1.324 57.441 56.100 0.029 0.000 0.945 252 R CB -0.117 30.206 30.300 0.038 0.000 0.845 252 R HN 0.025 nan 8.270 nan 0.000 0.430 253 R N 0.383 120.930 120.500 0.078 0.000 2.096 253 R HA -0.164 4.180 4.340 0.007 0.000 0.235 253 R C 2.303 178.615 176.300 0.020 0.000 1.127 253 R CA 1.299 57.470 56.100 0.118 0.000 0.968 253 R CB -0.274 30.172 30.300 0.243 0.000 0.861 253 R HN 0.153 nan 8.270 nan 0.000 0.440 254 L N 0.988 122.106 121.223 -0.175 0.000 2.027 254 L HA -0.168 4.176 4.340 0.007 0.000 0.206 254 L C 2.289 179.008 176.870 -0.252 0.000 1.074 254 L CA 1.890 56.402 54.840 -0.547 0.000 0.745 254 L CB -0.711 40.923 42.059 -0.709 0.000 0.898 254 L HN 0.115 nan 8.230 nan 0.000 0.433 255 Q N 0.269 119.984 119.800 -0.141 0.000 2.084 255 Q HA -0.243 4.102 4.340 0.007 0.000 0.202 255 Q C 2.034 177.993 176.000 -0.069 0.000 0.978 255 Q CA 2.294 58.041 55.803 -0.093 0.000 0.844 255 Q CB -0.267 28.437 28.738 -0.057 0.000 0.898 255 Q HN 0.779 nan 8.270 nan 0.000 0.426 256 E N -0.893 119.284 120.200 -0.038 0.000 2.150 256 E HA -0.124 4.230 4.350 0.007 0.000 0.193 256 E C 1.866 178.468 176.600 0.004 0.000 0.985 256 E CA 0.946 57.341 56.400 -0.009 0.000 0.814 256 E CB -0.369 29.343 29.700 0.019 0.000 0.752 256 E HN 0.365 nan 8.360 nan 0.000 0.466 257 A N 1.764 124.588 122.820 0.006 0.000 1.898 257 A HA -0.080 4.245 4.320 0.007 0.000 0.216 257 A C 2.545 180.071 177.584 -0.097 0.000 1.181 257 A CA 1.285 53.362 52.037 0.067 0.000 0.620 257 A CB -0.762 18.302 19.000 0.107 0.000 0.819 257 A HN 0.167 nan 8.150 nan 0.000 0.442 258 V N 0.755 120.583 119.914 -0.143 0.000 2.295 258 V HA -0.253 3.872 4.120 0.007 0.000 0.246 258 V C 2.199 178.182 176.094 -0.186 0.000 1.049 258 V CA 2.354 64.538 62.300 -0.194 0.000 1.024 258 V CB -0.829 30.901 31.823 -0.154 0.000 0.648 258 V HN 0.499 nan 8.190 nan 0.000 0.447 259 D N -0.191 120.137 120.400 -0.120 0.000 2.117 259 D HA -0.186 4.459 4.640 0.007 0.000 0.197 259 D C 2.157 178.401 176.300 -0.094 0.000 0.987 259 D CA 1.442 55.386 54.000 -0.093 0.000 0.829 259 D CB -0.226 40.541 40.800 -0.056 0.000 0.961 259 D HN 0.414 nan 8.370 nan 0.000 0.460 260 K N 0.648 121.006 120.400 -0.070 0.000 2.057 260 K HA -0.102 4.222 4.320 0.007 0.000 0.207 260 K C 2.036 178.572 176.600 -0.107 0.000 1.049 260 K CA 1.257 57.535 56.287 -0.016 0.000 0.931 260 K CB -0.053 32.521 32.500 0.123 0.000 0.714 260 K HN 0.018 nan 8.250 nan 0.000 0.440 261 A N 1.449 124.013 122.820 -0.427 0.000 1.908 261 A HA -0.184 4.140 4.320 0.007 0.000 0.218 261 A C 2.096 179.519 177.584 -0.268 0.000 1.181 261 A CA 1.579 53.228 52.037 -0.647 0.000 0.627 261 A CB -0.481 17.897 19.000 -1.037 0.000 0.818 261 A HN 0.341 nan 8.150 nan 0.000 0.445 262 R N -0.836 119.537 120.500 -0.212 0.000 2.092 262 R HA -0.010 4.335 4.340 0.007 0.000 0.231 262 R C 2.397 178.644 176.300 -0.089 0.000 1.119 262 R CA 1.033 57.050 56.100 -0.139 0.000 0.970 262 R CB -0.369 29.852 30.300 -0.131 0.000 0.864 262 R HN 0.515 nan 8.270 nan 0.000 0.440 263 A N 1.091 123.869 122.820 -0.070 0.000 2.015 263 A HA -0.133 4.192 4.320 0.007 0.000 0.219 263 A C 1.524 179.098 177.584 -0.017 0.000 1.163 263 A CA 1.096 53.112 52.037 -0.035 0.000 0.646 263 A CB -0.120 18.869 19.000 -0.019 0.000 0.806 263 A HN 0.286 nan 8.150 nan 0.000 0.448 264 E N -1.571 118.622 120.200 -0.011 0.000 2.489 264 E HA 0.241 4.596 4.350 0.007 0.000 0.193 264 E C 1.037 177.638 176.600 0.001 0.000 1.057 264 E CA 0.310 56.720 56.400 0.017 0.000 0.866 264 E CB 0.006 29.751 29.700 0.075 0.000 0.916 264 E HN 0.723 nan 8.360 nan 0.000 0.500 265 G N 0.994 109.779 108.800 -0.025 0.000 2.192 265 G HA2 -0.222 3.742 3.960 0.007 0.000 0.193 265 G HA3 -0.222 3.742 3.960 0.007 0.000 0.193 265 G C 0.360 175.239 174.900 -0.035 0.000 0.999 265 G CA -0.209 44.876 45.100 -0.026 0.000 0.659 265 G HN 0.393 nan 8.290 nan 0.000 0.503 266 A N 0.076 122.860 122.820 -0.060 0.000 2.520 266 A HA 0.598 4.923 4.320 0.007 0.000 0.245 266 A C 1.033 178.565 177.584 -0.087 0.000 1.072 266 A CA 1.143 53.139 52.037 -0.068 0.000 0.761 266 A CB 0.030 18.958 19.000 -0.120 0.000 1.004 266 A HN 0.476 nan 8.150 nan 0.000 0.499 267 N N 1.012 119.673 118.700 -0.064 0.000 2.368 267 N HA 0.295 5.039 4.740 0.007 0.000 0.176 267 N C 0.353 175.752 175.510 -0.186 0.000 1.021 267 N CA 1.041 54.017 53.050 -0.123 0.000 0.888 267 N CB 0.180 38.649 38.487 -0.030 0.000 0.995 267 N HN 0.785 nan 8.380 nan 0.000 0.437 268 A N 0.109 122.857 122.820 -0.120 0.000 2.454 268 A HA 0.711 5.036 4.320 0.007 0.000 0.302 268 A C -1.303 176.233 177.584 -0.081 0.000 1.079 268 A CA -0.506 51.465 52.037 -0.109 0.000 0.731 268 A CB 1.561 20.512 19.000 -0.082 0.000 1.299 268 A HN -0.106 nan 8.150 nan 0.000 0.413 269 V N 1.352 121.221 119.914 -0.076 0.000 2.531 269 V HA 0.581 4.706 4.120 0.007 0.000 0.301 269 V C -0.650 175.414 176.094 -0.049 0.000 1.034 269 V CA -0.607 61.645 62.300 -0.080 0.000 0.865 269 V CB 1.453 33.205 31.823 -0.118 0.000 0.995 269 V HN 0.906 nan 8.190 nan 0.000 0.424 270 V N 6.939 126.828 119.914 -0.042 0.000 2.495 270 V HA 0.656 4.781 4.120 0.007 0.000 0.298 270 V C -0.864 175.199 176.094 -0.052 0.000 1.031 270 V CA -0.681 61.596 62.300 -0.038 0.000 0.871 270 V CB 1.732 33.534 31.823 -0.035 0.000 0.988 270 V HN 0.761 nan 8.190 nan 0.000 0.432 271 L N 7.450 128.640 121.223 -0.054 0.000 2.265 271 L HA 0.564 4.909 4.340 0.007 0.000 0.289 271 L C -0.673 176.159 176.870 -0.063 0.000 1.033 271 L CA -0.191 54.620 54.840 -0.049 0.000 0.814 271 L CB 1.307 43.342 42.059 -0.040 0.000 1.203 271 L HN 0.734 nan 8.230 nan 0.000 0.423 272 L N 5.024 126.209 121.223 -0.064 0.000 2.282 272 L HA 0.470 4.815 4.340 0.007 0.000 0.287 272 L C -0.080 176.791 176.870 0.001 0.000 1.075 272 L CA 0.690 55.481 54.840 -0.082 0.000 0.839 272 L CB 0.492 42.504 42.059 -0.079 0.000 1.219 272 L HN 0.715 nan 8.230 nan 0.000 0.434 273 S N 3.150 118.872 115.700 0.036 0.000 2.537 273 S HA 0.415 4.890 4.470 0.007 0.000 0.301 273 S C -0.153 174.556 174.600 0.181 0.000 1.092 273 S CA -0.390 57.876 58.200 0.111 0.000 1.048 273 S CB 0.682 63.938 63.200 0.093 0.000 1.053 273 S HN 0.794 nan 8.310 nan 0.000 0.501 274 H N 2.951 122.116 119.070 0.159 0.000 2.562 274 H HA 0.470 5.031 4.556 0.007 0.000 0.249 274 H C 0.778 176.233 175.328 0.213 0.000 1.195 274 H CA -0.214 55.966 56.048 0.220 0.000 0.938 274 H CB 0.002 29.899 29.762 0.224 0.000 1.891 274 H HN 0.505 nan 8.280 nan 0.000 0.595 275 N N 0.479 119.300 118.700 0.203 0.000 2.333 275 N HA 0.093 4.837 4.740 0.007 0.000 0.178 275 N C 0.491 176.136 175.510 0.226 0.000 1.018 275 N CA 1.265 54.412 53.050 0.163 0.000 0.882 275 N CB 0.585 39.130 38.487 0.096 0.000 0.984 275 N HN 0.568 nan 8.380 nan 0.000 0.434 276 G N 0.415 109.368 108.800 0.255 0.000 2.885 276 G HA2 -0.172 3.793 3.960 0.007 0.000 0.685 276 G HA3 -0.172 3.793 3.960 0.007 0.000 0.685 276 G C 0.462 175.510 174.900 0.248 0.000 1.216 276 G CA -0.063 45.247 45.100 0.350 0.000 0.790 276 G HN 0.098 nan 8.290 nan 0.000 0.631 277 M N 0.640 120.381 119.600 0.235 0.000 2.149 277 M HA -0.129 4.355 4.480 0.007 0.000 0.261 277 M C 2.564 179.054 176.300 0.318 0.000 1.064 277 M CA 2.100 57.562 55.300 0.270 0.000 1.102 277 M CB -0.126 32.648 32.600 0.291 0.000 1.369 277 M HN 0.659 nan 8.290 nan 0.000 0.408 278 Q N -0.139 119.839 119.800 0.296 0.000 2.123 278 Q HA -0.125 4.219 4.340 0.007 0.000 0.199 278 Q C 2.030 178.181 176.000 0.251 0.000 0.966 278 Q CA 1.152 57.154 55.803 0.331 0.000 0.845 278 Q CB -0.762 28.172 28.738 0.327 0.000 0.907 278 Q HN 0.466 nan 8.270 nan 0.000 0.439 279 L N 1.667 123.012 121.223 0.204 0.000 2.093 279 L HA -0.131 4.214 4.340 0.007 0.000 0.208 279 L C 1.433 178.375 176.870 0.120 0.000 1.085 279 L CA 1.849 56.768 54.840 0.132 0.000 0.755 279 L CB -0.634 41.470 42.059 0.076 0.000 0.904 279 L HN 0.018 nan 8.230 nan 0.000 0.435 280 D N -0.031 120.445 120.400 0.126 0.000 2.123 280 D HA -0.163 4.481 4.640 0.007 0.000 0.196 280 D C 2.185 178.504 176.300 0.032 0.000 0.992 280 D CA 1.536 55.587 54.000 0.085 0.000 0.833 280 D CB -0.116 40.746 40.800 0.103 0.000 0.954 280 D HN 0.494 nan 8.370 nan 0.000 0.455 281 A N 0.979 123.809 122.820 0.018 0.000 1.933 281 A HA -0.040 4.284 4.320 0.007 0.000 0.218 281 A C 2.315 179.873 177.584 -0.042 0.000 1.175 281 A CA 2.100 54.044 52.037 -0.156 0.000 0.628 281 A CB -0.593 18.235 19.000 -0.286 0.000 0.814 281 A HN 0.238 nan 8.150 nan 0.000 0.444 282 A N -0.247 122.633 122.820 0.099 0.000 1.898 282 A HA -0.010 4.314 4.320 0.007 0.000 0.216 282 A C 2.132 179.810 177.584 0.155 0.000 1.181 282 A CA 1.417 53.563 52.037 0.183 0.000 0.620 282 A CB -0.561 18.676 19.000 0.395 0.000 0.819 282 A HN 0.469 nan 8.150 nan 0.000 0.442 283 L N -0.791 120.519 121.223 0.145 0.000 2.141 283 L HA -0.167 4.177 4.340 0.007 0.000 0.209 283 L C 3.014 179.891 176.870 0.011 0.000 1.094 283 L CA 0.869 55.768 54.840 0.099 0.000 0.763 283 L CB -0.507 41.596 42.059 0.072 0.000 0.908 283 L HN 0.436 nan 8.230 nan 0.000 0.437 284 A N -0.646 122.155 122.820 -0.032 0.000 2.019 284 A HA -0.171 4.153 4.320 0.007 0.000 0.219 284 A C 2.086 179.621 177.584 -0.082 0.000 1.164 284 A CA 1.392 53.379 52.037 -0.083 0.000 0.644 284 A CB -0.225 18.684 19.000 -0.152 0.000 0.805 284 A HN 0.339 nan 8.150 nan 0.000 0.449 285 E N -1.100 119.065 120.200 -0.059 0.000 2.474 285 E HA 0.077 4.432 4.350 0.007 0.000 0.195 285 E C 1.537 178.111 176.600 -0.044 0.000 1.039 285 E CA 0.137 56.503 56.400 -0.056 0.000 0.881 285 E CB 0.238 29.910 29.700 -0.047 0.000 0.970 285 E HN 0.648 nan 8.360 nan 0.000 0.486 286 R N -0.422 120.060 120.500 -0.030 0.000 2.310 286 R HA 0.232 4.577 4.340 0.007 0.000 0.199 286 R C 0.577 176.857 176.300 -0.032 0.000 0.891 286 R CA 0.033 56.112 56.100 -0.034 0.000 1.060 286 R CB 1.086 31.369 30.300 -0.028 0.000 1.188 286 R HN -0.053 nan 8.270 nan 0.000 0.607 287 I N 2.222 122.773 120.570 -0.033 0.000 2.385 287 I HA 0.262 4.437 4.170 0.007 0.000 0.294 287 I C 0.076 176.159 176.117 -0.056 0.000 0.988 287 I CA -0.502 60.770 61.300 -0.048 0.000 1.265 287 I CB 1.393 39.357 38.000 -0.061 0.000 1.388 287 I HN 0.018 nan 8.210 nan 0.000 0.480 288 R N 3.040 123.506 120.500 -0.057 0.000 2.404 288 R HA 0.504 4.848 4.340 0.007 0.000 0.291 288 R C 0.841 177.101 176.300 -0.067 0.000 1.025 288 R CA 0.111 56.178 56.100 -0.056 0.000 0.991 288 R CB 0.994 31.266 30.300 -0.048 0.000 1.053 288 R HN 0.972 nan 8.270 nan 0.000 0.479 289 G N 2.163 110.925 108.800 -0.064 0.000 2.157 289 G HA2 -0.245 3.720 3.960 0.007 0.000 0.239 289 G HA3 -0.245 3.720 3.960 0.007 0.000 0.239 289 G C 0.117 174.969 174.900 -0.080 0.000 0.982 289 G CA -0.523 44.532 45.100 -0.075 0.000 0.650 289 G HN 0.514 nan 8.290 nan 0.000 0.527 290 I N 1.622 122.149 120.570 -0.072 0.000 2.312 290 I HA 0.255 4.430 4.170 0.007 0.000 0.291 290 I C 0.604 176.697 176.117 -0.040 0.000 1.031 290 I CA -0.670 60.592 61.300 -0.064 0.000 1.293 290 I CB 1.033 38.993 38.000 -0.067 0.000 1.403 290 I HN -0.044 nan 8.210 nan 0.000 0.484 291 D N 5.238 125.629 120.400 -0.016 0.000 2.240 291 D HA 0.096 4.741 4.640 0.007 0.000 0.206 291 D C 0.131 176.491 176.300 0.101 0.000 0.963 291 D CA 1.021 55.045 54.000 0.040 0.000 0.863 291 D CB 0.691 41.523 40.800 0.053 0.000 0.973 291 D HN 0.225 nan 8.370 nan 0.000 0.501 292 L N 0.308 121.573 121.223 0.070 0.000 2.472 292 L HA 0.444 4.789 4.340 0.007 0.000 0.260 292 L C -1.871 175.018 176.870 0.032 0.000 0.963 292 L CA -0.613 54.289 54.840 0.104 0.000 0.829 292 L CB 2.485 44.603 42.059 0.098 0.000 1.348 292 L HN -0.235 nan 8.230 nan 0.000 0.408 293 I N 5.136 125.731 120.570 0.041 0.000 2.436 293 I HA 0.400 4.574 4.170 0.007 0.000 0.289 293 I C -0.919 175.184 176.117 -0.023 0.000 1.010 293 I CA -0.578 60.723 61.300 0.001 0.000 1.098 293 I CB 1.909 39.923 38.000 0.023 0.000 1.266 293 I HN 0.441 nan 8.210 nan 0.000 0.434 294 L N 5.341 126.472 121.223 -0.153 0.000 2.272 294 L HA 0.333 4.678 4.340 0.007 0.000 0.284 294 L C 0.255 177.064 176.870 -0.102 0.000 1.045 294 L CA -0.133 54.471 54.840 -0.393 0.000 0.842 294 L CB 1.219 42.646 42.059 -1.054 0.000 1.224 294 L HN 0.535 nan 8.230 nan 0.000 0.430 295 S N 2.116 117.897 115.700 0.136 0.000 2.410 295 S HA 0.611 5.085 4.470 0.007 0.000 0.304 295 S C 0.405 175.168 174.600 0.273 0.000 1.095 295 S CA -0.494 57.829 58.200 0.205 0.000 1.089 295 S CB 0.695 64.024 63.200 0.215 0.000 0.968 295 S HN 0.707 nan 8.310 nan 0.000 0.480 296 G N 1.989 110.908 108.800 0.198 0.000 2.606 296 G HA2 0.457 4.422 3.960 0.007 0.000 0.262 296 G HA3 0.457 4.422 3.960 0.007 0.000 0.262 296 G C 0.200 175.078 174.900 -0.037 0.000 1.394 296 G CA 0.350 45.507 45.100 0.094 0.000 1.044 296 G HN 0.999 nan 8.290 nan 0.000 0.553 297 H N -2.288 116.570 119.070 -0.354 0.000 4.844 297 H HA -0.330 4.231 4.556 0.007 0.000 0.071 297 H C 1.921 177.344 175.328 0.160 0.000 0.589 297 H CA 3.721 59.652 56.048 -0.194 0.000 1.006 297 H CB -1.503 28.057 29.762 -0.336 0.000 0.443 297 H HN 0.754 nan 8.280 nan 0.000 0.779 298 T N -1.830 112.736 114.554 0.021 0.000 3.129 298 T HA 0.091 4.446 4.350 0.007 0.000 0.251 298 T C 0.631 175.383 174.700 0.086 0.000 1.117 298 T CA 0.764 62.835 62.100 -0.048 0.000 1.034 298 T CB -0.434 68.450 68.868 0.026 0.000 0.968 298 T HN 0.828 nan 8.240 nan 0.000 0.526 299 H N 1.001 120.081 119.070 0.017 0.000 2.820 299 H HA -0.110 4.450 4.556 0.008 0.000 0.295 299 H C -0.716 174.620 175.328 0.013 0.000 1.187 299 H CA 0.131 56.210 56.048 0.052 0.000 1.144 299 H CB -1.486 28.321 29.762 0.075 0.000 1.354 299 H HN 0.513 nan 8.280 nan 0.000 0.395 300 D N 0.679 121.151 120.400 0.120 0.000 2.383 300 D HA 0.451 5.095 4.640 0.007 0.000 0.248 300 D C 0.681 177.001 176.300 0.034 0.000 1.170 300 D CA -0.171 53.859 54.000 0.051 0.000 0.977 300 D CB 1.530 42.357 40.800 0.046 0.000 1.120 300 D HN 0.123 nan 8.370 nan 0.000 0.481 301 L N 0.310 121.525 121.223 -0.012 0.000 2.385 301 L HA 0.323 4.667 4.340 0.007 0.000 0.273 301 L C -0.242 176.549 176.870 -0.132 0.000 0.990 301 L CA -0.480 54.325 54.840 -0.060 0.000 0.821 301 L CB 2.123 44.127 42.059 -0.091 0.000 1.279 301 L HN 0.394 nan 8.230 nan 0.000 0.412 302 T N -0.848 113.622 114.554 -0.141 0.000 3.141 302 T HA 0.329 4.684 4.350 0.007 0.000 0.377 302 T C -2.357 172.165 174.700 -0.297 0.000 1.258 302 T CA -1.653 60.316 62.100 -0.218 0.000 1.263 302 T CB 1.271 70.199 68.868 0.100 0.000 1.066 302 T HN 0.201 nan 8.240 nan 0.000 0.546 303 P HA -0.011 nan 4.420 nan 0.000 0.219 303 P C 0.286 177.518 177.300 -0.114 0.000 1.146 303 P CA 0.857 63.754 63.100 -0.339 0.000 0.808 303 P CB 0.248 31.707 31.700 -0.402 0.000 0.779 304 R N -0.653 119.858 120.500 0.019 0.000 2.686 304 R HA 0.385 4.730 4.340 0.007 0.000 0.286 304 R C -2.640 173.833 176.300 0.288 0.000 0.969 304 R CA -2.390 53.825 56.100 0.192 0.000 0.898 304 R CB 1.485 31.989 30.300 0.340 0.000 1.183 304 R HN -0.065 nan 8.270 nan 0.000 0.456 305 P HA -0.050 nan 4.420 nan 0.000 0.272 305 P C -0.941 176.762 177.300 0.673 0.000 1.223 305 P CA -0.234 63.089 63.100 0.370 0.000 0.784 305 P CB 0.679 32.485 31.700 0.177 0.000 0.923 306 W N 4.606 126.174 121.300 0.447 0.000 2.316 306 W HA 0.382 5.046 4.660 0.007 0.000 0.308 306 W C -0.159 176.553 176.519 0.322 0.000 1.106 306 W CA -1.277 56.297 57.345 0.383 0.000 1.262 306 W CB 0.247 29.878 29.460 0.284 0.000 1.233 306 W HN 0.246 nan 8.180 nan 0.000 0.447 307 R N 4.695 125.400 120.500 0.342 0.000 2.216 307 R HA 0.525 4.869 4.340 0.007 0.000 0.332 307 R C -1.700 174.390 176.300 -0.350 0.000 1.056 307 R CA -0.118 55.833 56.100 -0.250 0.000 0.901 307 R CB 0.407 30.463 30.300 -0.407 0.000 1.039 307 R HN 0.234 nan 8.270 nan 0.000 0.456 308 V N 5.676 125.308 119.914 -0.470 0.000 2.525 308 V HA 0.607 4.732 4.120 0.007 0.000 0.299 308 V C 0.956 176.864 176.094 -0.311 0.000 1.034 308 V CA 0.028 62.060 62.300 -0.446 0.000 0.863 308 V CB 1.014 32.443 31.823 -0.656 0.000 0.999 308 V HN 1.034 nan 8.190 nan 0.000 0.423 309 G N 5.470 114.136 108.800 -0.223 0.000 2.591 309 G HA2 -0.253 3.712 3.960 0.007 0.000 0.298 309 G HA3 -0.253 3.712 3.960 0.007 0.000 0.298 309 G C 0.438 175.212 174.900 -0.209 0.000 1.195 309 G CA 0.486 45.483 45.100 -0.172 0.000 0.989 309 G HN 0.606 nan 8.290 nan 0.000 0.551 310 K N 1.909 122.198 120.400 -0.184 0.000 2.576 310 K HA 0.372 4.696 4.320 0.007 0.000 0.209 310 K C 0.195 176.656 176.600 -0.233 0.000 1.049 310 K CA 0.371 56.543 56.287 -0.192 0.000 1.140 310 K CB 0.472 32.914 32.500 -0.097 0.000 0.871 310 K HN 0.476 nan 8.250 nan 0.000 0.479 311 T N -0.148 114.226 114.554 -0.299 0.000 2.887 311 T HA 0.437 4.791 4.350 0.007 0.000 0.288 311 T C -0.714 173.787 174.700 -0.332 0.000 1.021 311 T CA -0.574 61.383 62.100 -0.238 0.000 1.000 311 T CB 1.359 70.139 68.868 -0.145 0.000 1.034 311 T HN 0.117 nan 8.240 nan 0.000 0.467 312 W N 1.936 123.235 121.300 -0.002 0.000 2.438 312 W HA 0.703 5.369 4.660 0.010 0.000 0.324 312 W C -0.280 176.260 176.519 0.035 0.000 1.119 312 W CA -0.787 56.578 57.345 0.034 0.000 1.221 312 W CB 0.839 30.334 29.460 0.057 0.000 1.253 312 W HN 0.346 nan 8.180 nan 0.000 0.555 313 I N 3.373 124.165 120.570 0.371 0.000 2.466 313 I HA 0.398 4.572 4.170 0.007 0.000 0.289 313 I C -0.844 175.481 176.117 0.347 0.000 1.026 313 I CA -1.133 60.340 61.300 0.289 0.000 1.078 313 I CB 1.548 39.699 38.000 0.252 0.000 1.249 313 I HN -0.057 nan 8.210 nan 0.000 0.429 314 V N 5.218 125.282 119.914 0.250 0.000 2.531 314 V HA 0.602 4.727 4.120 0.007 0.000 0.301 314 V C 0.301 176.569 176.094 0.290 0.000 1.034 314 V CA -0.597 61.849 62.300 0.244 0.000 0.865 314 V CB 1.720 33.653 31.823 0.184 0.000 0.995 314 V HN 0.843 nan 8.190 nan 0.000 0.424 315 A N 3.257 126.246 122.820 0.281 0.000 2.304 315 A HA 0.661 4.985 4.320 0.007 0.000 0.271 315 A C 1.291 179.060 177.584 0.309 0.000 1.091 315 A CA 0.288 52.496 52.037 0.285 0.000 0.812 315 A CB 0.777 19.884 19.000 0.179 0.000 1.056 315 A HN 1.146 nan 8.150 nan 0.000 0.489 316 G N -0.371 108.564 108.800 0.224 0.000 3.088 316 G HA2 0.363 4.327 3.960 0.007 0.000 0.217 316 G HA3 0.363 4.327 3.960 0.007 0.000 0.217 316 G C 0.684 175.495 174.900 -0.148 0.000 1.159 316 G CA 1.082 46.053 45.100 -0.215 0.000 0.760 316 G HN 1.580 nan 8.290 nan 0.000 0.550 317 S N -1.622 114.066 115.700 -0.019 0.000 3.525 317 S HA 0.081 4.555 4.470 0.007 0.000 0.629 317 S C 0.240 174.813 174.600 -0.044 0.000 2.621 317 S CA 1.325 59.520 58.200 -0.009 0.000 3.752 317 S CB -1.179 62.011 63.200 -0.017 0.000 0.260 317 S HN 2.105 nan 8.310 nan 0.000 1.214 318 A N -0.763 122.048 122.820 -0.014 0.000 2.567 318 A HA 0.859 5.183 4.320 0.007 0.000 0.291 318 A C 0.525 178.164 177.584 0.091 0.000 1.048 318 A CA 0.845 52.851 52.037 -0.050 0.000 0.661 318 A CB -0.080 18.784 19.000 -0.227 0.000 1.288 318 A HN 2.650 nan 8.150 nan 0.000 0.424 319 A N -0.776 122.072 122.820 0.048 0.000 2.816 319 A HA 0.299 4.624 4.320 0.007 0.000 0.270 319 A C 2.047 179.671 177.584 0.067 0.000 1.413 319 A CA 2.314 54.362 52.037 0.019 0.000 0.866 319 A CB -1.922 17.009 19.000 -0.114 0.000 1.032 319 A HN 3.188 nan 8.150 nan 0.000 0.642 320 G N -1.067 107.741 108.800 0.013 0.000 2.148 320 G HA2 -0.349 3.616 3.960 0.007 0.000 0.254 320 G HA3 -0.349 3.616 3.960 0.007 0.000 0.254 320 G C 0.745 175.627 174.900 -0.030 0.000 0.981 320 G CA 1.415 46.485 45.100 -0.049 0.000 0.670 320 G HN 1.994 nan 8.290 nan 0.000 0.528 321 K N -0.359 120.045 120.400 0.007 0.000 2.211 321 K HA 0.495 4.819 4.320 0.007 0.000 0.203 321 K C 1.017 177.607 176.600 -0.017 0.000 1.050 321 K CA 1.325 57.602 56.287 -0.015 0.000 0.945 321 K CB 0.143 32.641 32.500 -0.004 0.000 0.732 321 K HN 1.377 nan 8.250 nan 0.000 0.451 322 A N 0.958 123.774 122.820 -0.006 0.000 2.572 322 A HA 0.586 4.910 4.320 0.007 0.000 0.295 322 A C -1.924 175.672 177.584 0.020 0.000 1.072 322 A CA -0.913 51.126 52.037 0.004 0.000 0.691 322 A CB 1.712 20.707 19.000 -0.008 0.000 1.291 322 A HN 0.198 nan 8.150 nan 0.000 0.404 323 L N 1.568 122.816 121.223 0.041 0.000 2.325 323 L HA 0.777 5.121 4.340 0.007 0.000 0.281 323 L C -0.907 176.014 176.870 0.084 0.000 1.004 323 L CA -0.421 54.464 54.840 0.074 0.000 0.823 323 L CB 1.305 43.403 42.059 0.065 0.000 1.236 323 L HN 0.698 nan 8.230 nan 0.000 0.415 324 M N 5.246 124.908 119.600 0.103 0.000 2.084 324 M HA 0.413 4.897 4.480 0.007 0.000 0.351 324 M C -0.247 176.143 176.300 0.151 0.000 1.240 324 M CA 0.233 55.610 55.300 0.129 0.000 1.083 324 M CB 0.754 33.477 32.600 0.204 0.000 1.593 324 M HN 0.464 nan 8.290 nan 0.000 0.463 325 R N 3.103 123.662 120.500 0.099 0.000 2.229 325 R HA 0.636 4.981 4.340 0.007 0.000 0.332 325 R C -1.690 174.642 176.300 0.053 0.000 0.989 325 R CA -0.348 55.802 56.100 0.084 0.000 0.842 325 R CB 0.712 31.051 30.300 0.066 0.000 1.119 325 R HN 0.554 nan 8.270 nan 0.000 0.456 326 V N 5.179 125.128 119.914 0.059 0.000 2.326 326 V HA 0.238 4.363 4.120 0.007 0.000 0.281 326 V C -0.674 175.436 176.094 0.028 0.000 1.015 326 V CA -0.866 61.447 62.300 0.022 0.000 0.823 326 V CB 1.456 33.297 31.823 0.029 0.000 1.009 326 V HN 0.788 nan 8.190 nan 0.000 0.436 327 D N 5.626 126.036 120.400 0.017 0.000 2.232 327 D HA 0.540 5.184 4.640 0.007 0.000 0.242 327 D C -0.453 175.944 176.300 0.162 0.000 1.093 327 D CA -0.124 53.943 54.000 0.111 0.000 0.845 327 D CB 2.642 43.558 40.800 0.194 0.000 1.124 327 D HN 0.331 nan 8.370 nan 0.000 0.467 328 L N 1.782 123.090 121.223 0.142 0.000 2.322 328 L HA 0.389 4.733 4.340 0.007 0.000 0.281 328 L C 0.446 177.357 176.870 0.068 0.000 1.014 328 L CA -0.777 54.129 54.840 0.110 0.000 0.815 328 L CB 1.759 43.843 42.059 0.041 0.000 1.247 328 L HN -0.018 nan 8.230 nan 0.000 0.421 329 K N 4.403 124.845 120.400 0.071 0.000 2.264 329 K HA 0.556 4.881 4.320 0.007 0.000 0.277 329 K C -0.828 175.735 176.600 -0.062 0.000 1.067 329 K CA -0.383 55.871 56.287 -0.055 0.000 0.900 329 K CB 1.177 33.636 32.500 -0.069 0.000 1.124 329 K HN 0.452 nan 8.250 nan 0.000 0.469 330 L N 3.449 124.513 121.223 -0.265 0.000 2.387 330 L HA 0.577 4.922 4.340 0.007 0.000 0.266 330 L C -0.041 176.646 176.870 -0.305 0.000 1.059 330 L CA -0.952 53.665 54.840 -0.371 0.000 0.801 330 L CB 0.647 42.264 42.059 -0.736 0.000 1.223 330 L HN 0.656 nan 8.230 nan 0.000 0.456 331 W N 0.572 121.704 121.300 -0.281 0.000 3.040 331 W HA 0.357 5.021 4.660 0.007 0.000 0.344 331 W C 0.366 176.944 176.519 0.097 0.000 1.201 331 W CA -0.976 56.355 57.345 -0.023 0.000 1.119 331 W CB 1.354 30.826 29.460 0.020 0.000 1.478 331 W HN 0.582 nan 8.180 nan 0.000 0.586 332 K N 0.557 121.052 120.400 0.158 0.000 2.127 332 K HA -0.131 4.193 4.320 0.007 0.000 0.208 332 K C 1.338 177.554 176.600 -0.640 0.000 1.047 332 K CA 2.543 58.758 56.287 -0.120 0.000 0.927 332 K CB -0.725 31.804 32.500 0.048 0.000 0.716 332 K HN 0.664 nan 8.250 nan 0.000 0.450 333 G N -0.612 107.142 108.800 -1.744 0.000 3.393 333 G HA2 0.467 4.432 3.960 0.007 0.000 0.255 333 G HA3 0.467 4.432 3.960 0.007 0.000 0.255 333 G C 0.194 174.367 174.900 -1.210 0.000 1.097 333 G CA 0.030 44.182 45.100 -1.580 0.000 0.780 333 G HN 0.681 nan 8.290 nan 0.000 0.540 334 G N -0.147 107.939 108.800 -1.189 0.000 2.441 334 G HA2 0.186 4.150 3.960 0.007 0.000 0.222 334 G HA3 0.186 4.150 3.960 0.007 0.000 0.222 334 G C -1.495 173.349 174.900 -0.093 0.000 1.254 334 G CA -0.929 43.931 45.100 -0.400 0.000 0.959 334 G HN 0.210 nan 8.290 nan 0.000 0.474 335 I N 2.253 122.940 120.570 0.195 0.000 2.312 335 I HA 0.484 4.658 4.170 0.007 0.000 0.290 335 I C 1.447 177.815 176.117 0.419 0.000 1.008 335 I CA -0.088 61.367 61.300 0.258 0.000 1.226 335 I CB 1.682 39.816 38.000 0.223 0.000 1.371 335 I HN 0.734 nan 8.210 nan 0.000 0.468 336 A N 5.514 128.568 122.820 0.390 0.000 1.897 336 A HA 0.034 4.358 4.320 0.007 0.000 0.215 336 A C 0.962 178.649 177.584 0.171 0.000 1.181 336 A CA 1.341 53.504 52.037 0.209 0.000 0.620 336 A CB -0.027 19.023 19.000 0.084 0.000 0.821 336 A HN 0.718 nan 8.150 nan 0.000 0.443 337 N N -1.986 116.814 118.700 0.167 0.000 2.927 337 N HA 0.567 5.311 4.740 0.007 0.000 0.248 337 N C -1.635 173.950 175.510 0.125 0.000 1.443 337 N CA -0.192 52.947 53.050 0.148 0.000 0.870 337 N CB 1.589 40.178 38.487 0.171 0.000 1.444 337 N HN 0.475 nan 8.380 nan 0.000 0.519 338 L N -1.622 119.581 121.223 -0.033 0.000 2.540 338 L HA 0.715 5.060 4.340 0.007 0.000 0.256 338 L C -1.209 175.440 176.870 -0.367 0.000 1.001 338 L CA -0.900 53.869 54.840 -0.119 0.000 0.843 338 L CB 2.656 44.569 42.059 -0.242 0.000 1.436 338 L HN 0.486 nan 8.230 nan 0.000 0.410 339 R N 1.786 122.012 120.500 -0.457 0.000 2.480 339 R HA 0.789 5.134 4.340 0.007 0.000 0.306 339 R C -1.918 174.217 176.300 -0.276 0.000 0.958 339 R CA -0.525 55.260 56.100 -0.524 0.000 0.861 339 R CB 2.244 32.033 30.300 -0.852 0.000 1.171 339 R HN 0.661 nan 8.270 nan 0.000 0.445 340 V N 5.255 125.041 119.914 -0.213 0.000 2.495 340 V HA 0.600 4.725 4.120 0.007 0.000 0.298 340 V C -0.390 175.653 176.094 -0.085 0.000 1.031 340 V CA -0.846 61.386 62.300 -0.113 0.000 0.871 340 V CB 1.734 33.505 31.823 -0.087 0.000 0.988 340 V HN 0.680 nan 8.190 nan 0.000 0.432 341 R N 3.136 123.609 120.500 -0.044 0.000 2.538 341 R HA 0.505 4.850 4.340 0.007 0.000 0.292 341 R C -1.310 174.986 176.300 -0.006 0.000 1.008 341 R CA -0.684 55.395 56.100 -0.035 0.000 0.896 341 R CB 2.139 32.421 30.300 -0.030 0.000 1.187 341 R HN 0.463 nan 8.270 nan 0.000 0.440 342 V N 5.486 125.385 119.914 -0.025 0.000 2.389 342 V HA 0.262 4.387 4.120 0.007 0.000 0.264 342 V C 0.467 176.560 176.094 -0.002 0.000 1.049 342 V CA -0.371 61.919 62.300 -0.016 0.000 0.932 342 V CB 0.753 32.542 31.823 -0.057 0.000 1.011 342 V HN 0.445 nan 8.190 nan 0.000 0.475 343 L N 8.407 129.659 121.223 0.049 0.000 2.255 343 L HA 0.399 4.744 4.340 0.007 0.000 0.289 343 L C -2.344 174.607 176.870 0.135 0.000 1.046 343 L CA -1.825 53.089 54.840 0.122 0.000 0.816 343 L CB 1.212 43.397 42.059 0.209 0.000 1.197 343 L HN 0.392 nan 8.230 nan 0.000 0.427 344 P HA 0.009 nan 4.420 nan 0.000 0.267 344 P C -0.344 177.062 177.300 0.176 0.000 1.205 344 P CA -0.163 62.990 63.100 0.089 0.000 0.765 344 P CB 0.772 32.477 31.700 0.009 0.000 0.828 345 V N 5.933 125.895 119.914 0.079 0.000 2.313 345 V HA 0.120 4.245 4.120 0.007 0.000 0.252 345 V C 0.376 176.515 176.094 0.076 0.000 1.112 345 V CA 0.145 62.471 62.300 0.045 0.000 0.984 345 V CB -0.754 31.056 31.823 -0.021 0.000 1.157 345 V HN 0.389 nan 8.190 nan 0.000 0.493 346 L N 3.951 125.266 121.223 0.154 0.000 2.295 346 L HA 0.468 4.812 4.340 0.007 0.000 0.281 346 L C 1.512 178.474 176.870 0.155 0.000 1.018 346 L CA -0.364 54.604 54.840 0.214 0.000 0.841 346 L CB 1.396 43.673 42.059 0.363 0.000 1.218 346 L HN 0.602 nan 8.230 nan 0.000 0.424 347 A N 2.366 125.228 122.820 0.069 0.000 1.986 347 A HA -0.171 4.154 4.320 0.007 0.000 0.220 347 A C 1.858 179.425 177.584 -0.028 0.000 1.171 347 A CA 1.534 53.577 52.037 0.009 0.000 0.640 347 A CB -0.221 18.772 19.000 -0.013 0.000 0.811 347 A HN 0.823 nan 8.150 nan 0.000 0.451 348 E N -1.210 118.952 120.200 -0.063 0.000 2.482 348 E HA -0.076 4.279 4.350 0.007 0.000 0.196 348 E C 0.342 176.611 176.600 -0.552 0.000 1.047 348 E CA 0.538 56.762 56.400 -0.294 0.000 0.869 348 E CB -0.050 29.429 29.700 -0.368 0.000 0.836 348 E HN 0.765 nan 8.360 nan 0.000 0.520 349 H N -0.788 118.337 119.070 0.092 0.000 2.662 349 H HA 0.304 4.864 4.556 0.006 0.000 0.268 349 H C -0.073 175.321 175.328 0.109 0.000 1.152 349 H CA 0.058 56.181 56.048 0.126 0.000 1.072 349 H CB 0.798 30.670 29.762 0.184 0.000 1.660 349 H HN -0.007 nan 8.280 nan 0.000 0.584 350 L N 1.948 123.213 121.223 0.069 0.000 2.371 350 L HA 0.424 4.769 4.340 0.007 0.000 0.262 350 L C -2.054 174.801 176.870 -0.026 0.000 1.006 350 L CA -1.937 52.892 54.840 -0.020 0.000 0.818 350 L CB 2.538 44.540 42.059 -0.094 0.000 1.354 350 L HN -0.029 nan 8.230 nan 0.000 0.415 351 P HA 0.212 nan 4.420 nan 0.000 0.274 351 P C -1.340 175.944 177.300 -0.027 0.000 1.256 351 P CA -0.592 62.493 63.100 -0.024 0.000 0.795 351 P CB 0.641 32.328 31.700 -0.021 0.000 1.038 352 K N 0.035 120.425 120.400 -0.017 0.000 2.185 352 K HA 0.467 4.792 4.320 0.007 0.000 0.271 352 K C -0.040 176.557 176.600 -0.005 0.000 1.013 352 K CA -0.474 55.807 56.287 -0.011 0.000 0.943 352 K CB 0.987 33.484 32.500 -0.005 0.000 0.998 352 K HN 0.523 nan 8.250 nan 0.000 0.468 353 A N 3.429 126.252 122.820 0.004 0.000 2.582 353 A HA 0.137 4.462 4.320 0.007 0.000 0.336 353 A C 0.931 178.533 177.584 0.030 0.000 1.445 353 A CA -0.479 51.567 52.037 0.016 0.000 0.997 353 A CB 0.073 19.094 19.000 0.034 0.000 1.148 353 A HN 0.653 nan 8.150 nan 0.000 0.514 354 E N 1.833 122.046 120.200 0.022 0.000 2.097 354 E HA -0.245 4.110 4.350 0.007 0.000 0.196 354 E C 1.241 177.870 176.600 0.047 0.000 1.000 354 E CA 1.811 58.228 56.400 0.028 0.000 0.804 354 E CB -0.083 29.627 29.700 0.018 0.000 0.740 354 E HN 0.933 nan 8.360 nan 0.000 0.454 355 D N 0.677 121.104 120.400 0.044 0.000 2.144 355 D HA -0.118 4.527 4.640 0.007 0.000 0.199 355 D C 2.050 178.419 176.300 0.115 0.000 0.984 355 D CA 0.812 54.848 54.000 0.059 0.000 0.834 355 D CB -0.685 40.128 40.800 0.021 0.000 0.955 355 D HN 0.095 nan 8.370 nan 0.000 0.465 356 V N 1.118 121.104 119.914 0.119 0.000 2.379 356 V HA -0.167 3.958 4.120 0.007 0.000 0.245 356 V C 2.603 178.807 176.094 0.184 0.000 1.044 356 V CA 1.655 64.072 62.300 0.194 0.000 1.036 356 V CB -0.410 31.527 31.823 0.190 0.000 0.664 356 V HN 0.102 nan 8.190 nan 0.000 0.453 357 E N 0.679 120.944 120.200 0.109 0.000 2.058 357 E HA -0.216 4.139 4.350 0.007 0.000 0.194 357 E C 2.373 179.030 176.600 0.095 0.000 0.997 357 E CA 1.643 58.094 56.400 0.085 0.000 0.801 357 E CB -0.545 29.186 29.700 0.052 0.000 0.746 357 E HN 0.570 nan 8.360 nan 0.000 0.450 358 A N 0.908 123.789 122.820 0.102 0.000 1.898 358 A HA -0.164 4.161 4.320 0.007 0.000 0.216 358 A C 2.080 179.739 177.584 0.125 0.000 1.181 358 A CA 1.251 53.343 52.037 0.093 0.000 0.620 358 A CB -0.789 18.261 19.000 0.084 0.000 0.819 358 A HN 0.282 nan 8.150 nan 0.000 0.442 359 F N 0.709 120.677 119.950 0.031 0.000 2.102 359 F HA -0.142 4.389 4.527 0.007 0.000 0.298 359 F C 1.854 177.677 175.800 0.038 0.000 1.105 359 F CA 1.747 59.767 58.000 0.034 0.000 1.239 359 F CB -0.345 38.682 39.000 0.046 0.000 0.991 359 F HN 0.136 nan 8.300 nan 0.000 0.474 360 L N 0.317 121.516 121.223 -0.040 0.000 2.083 360 L HA -0.226 4.119 4.340 0.007 0.000 0.209 360 L C 2.608 179.452 176.870 -0.043 0.000 1.083 360 L CA 1.778 56.544 54.840 -0.122 0.000 0.752 360 L CB -0.772 41.293 42.059 0.010 0.000 0.899 360 L HN 0.160 nan 8.230 nan 0.000 0.433 361 K N 0.457 120.861 120.400 0.006 0.000 2.057 361 K HA -0.192 4.133 4.320 0.007 0.000 0.207 361 K C 2.154 178.733 176.600 -0.035 0.000 1.049 361 K CA 1.376 57.669 56.287 0.011 0.000 0.931 361 K CB -0.083 32.426 32.500 0.015 0.000 0.714 361 K HN 0.255 nan 8.250 nan 0.000 0.440 362 A N 1.067 123.841 122.820 -0.077 0.000 1.902 362 A HA -0.174 4.151 4.320 0.007 0.000 0.217 362 A C 2.084 179.584 177.584 -0.139 0.000 1.181 362 A CA 1.296 53.278 52.037 -0.092 0.000 0.623 362 A CB -0.464 18.494 19.000 -0.070 0.000 0.818 362 A HN 0.380 nan 8.150 nan 0.000 0.443 363 Q N -0.551 119.090 119.800 -0.264 0.000 2.119 363 Q HA -0.004 4.341 4.340 0.007 0.000 0.201 363 Q C 1.727 177.706 176.000 -0.036 0.000 0.972 363 Q CA 1.182 56.843 55.803 -0.237 0.000 0.847 363 Q CB -0.192 28.262 28.738 -0.472 0.000 0.903 363 Q HN 0.713 nan 8.270 nan 0.000 0.433 364 L N -0.664 120.572 121.223 0.022 0.000 2.693 364 L HA 0.257 4.601 4.340 0.007 0.000 0.235 364 L C 2.053 178.982 176.870 0.099 0.000 1.127 364 L CA 0.092 55.026 54.840 0.157 0.000 0.914 364 L CB -0.183 42.038 42.059 0.270 0.000 1.193 364 L HN -0.023 nan 8.230 nan 0.000 0.502 365 A N 1.711 124.539 122.820 0.013 0.000 1.903 365 A HA -0.153 4.172 4.320 0.007 0.000 0.219 365 A C -0.185 177.351 177.584 -0.080 0.000 1.191 365 A CA 1.915 53.940 52.037 -0.019 0.000 0.638 365 A CB -1.685 17.291 19.000 -0.041 0.000 0.823 365 A HN 0.267 nan 8.150 nan 0.000 0.451 366 P HA -0.088 nan 4.420 nan 0.000 0.225 366 P C 0.556 177.568 177.300 -0.480 0.000 1.148 366 P CA 1.164 64.026 63.100 -0.396 0.000 0.779 366 P CB -0.077 31.252 31.700 -0.619 0.000 0.780 367 H N -1.478 117.586 119.070 -0.010 0.000 2.893 367 H HA 0.150 4.711 4.556 0.007 0.000 0.270 367 H C 1.719 177.053 175.328 0.011 0.000 1.095 367 H CA 0.149 56.190 56.048 -0.011 0.000 1.186 367 H CB 0.004 29.745 29.762 -0.035 0.000 1.562 367 H HN 0.364 nan 8.280 nan 0.000 0.536 368 Q N 0.924 120.809 119.800 0.142 0.000 2.135 368 Q HA -0.155 4.189 4.340 0.007 0.000 0.204 368 Q C 0.699 176.800 176.000 0.168 0.000 0.981 368 Q CA 1.610 57.555 55.803 0.235 0.000 0.856 368 Q CB 0.005 28.886 28.738 0.239 0.000 0.902 368 Q HN 0.163 nan 8.270 nan 0.000 0.425 369 D N 0.439 120.902 120.400 0.104 0.000 2.117 369 D HA -0.169 4.475 4.640 0.007 0.000 0.198 369 D C 1.850 178.197 176.300 0.077 0.000 0.982 369 D CA 1.653 55.706 54.000 0.088 0.000 0.828 369 D CB -0.312 40.528 40.800 0.066 0.000 0.967 369 D HN 0.472 nan 8.370 nan 0.000 0.464 370 H N 0.815 119.862 119.070 -0.039 0.000 2.293 370 H HA 0.010 4.571 4.556 0.008 0.000 0.300 370 H C 2.235 177.490 175.328 -0.121 0.000 1.082 370 H CA 1.318 57.300 56.048 -0.109 0.000 1.308 370 H CB -0.476 29.170 29.762 -0.194 0.000 1.375 370 H HN 0.014 nan 8.280 nan 0.000 0.495 371 L N -1.058 119.933 121.223 -0.386 0.000 2.093 371 L HA -0.125 4.219 4.340 0.007 0.000 0.208 371 L C 1.342 177.684 176.870 -0.881 0.000 1.085 371 L CA 1.202 55.572 54.840 -0.785 0.000 0.755 371 L CB -0.196 41.126 42.059 -1.228 0.000 0.904 371 L HN 0.291 nan 8.230 nan 0.000 0.435 372 F N -1.950 117.953 119.950 -0.077 0.000 2.682 372 F HA 0.153 4.685 4.527 0.008 0.000 0.308 372 F C 1.158 176.927 175.800 -0.051 0.000 1.093 372 F CA -0.488 57.449 58.000 -0.106 0.000 1.244 372 F CB -0.591 38.314 39.000 -0.160 0.000 1.052 372 F HN -0.237 nan 8.300 nan 0.000 0.573 373 T N 3.710 118.320 114.554 0.094 0.000 2.916 373 T HA 0.170 4.525 4.350 0.007 0.000 0.303 373 T C -2.350 172.389 174.700 0.064 0.000 1.025 373 T CA -0.930 61.221 62.100 0.084 0.000 1.142 373 T CB 0.626 69.544 68.868 0.083 0.000 0.947 373 T HN -0.211 nan 8.240 nan 0.000 0.544 374 P HA 0.216 nan 4.420 nan 0.000 0.271 374 P C 0.326 177.637 177.300 0.017 0.000 1.216 374 P CA -0.138 62.990 63.100 0.046 0.000 0.771 374 P CB 0.577 32.304 31.700 0.045 0.000 0.864 375 L N 1.469 122.683 121.223 -0.015 0.000 2.253 375 L HA 0.367 4.712 4.340 0.007 0.000 0.205 375 L C 1.002 177.841 176.870 -0.050 0.000 1.078 375 L CA 0.698 55.502 54.840 -0.060 0.000 0.805 375 L CB -0.082 41.878 42.059 -0.165 0.000 0.963 375 L HN 0.434 nan 8.230 nan 0.000 0.459 376 A N -1.116 121.689 122.820 -0.026 0.000 2.586 376 A HA 0.612 4.936 4.320 0.007 0.000 0.290 376 A C -1.564 176.024 177.584 0.007 0.000 1.086 376 A CA -0.430 51.590 52.037 -0.029 0.000 0.665 376 A CB 1.212 20.173 19.000 -0.065 0.000 1.279 376 A HN -0.241 nan 8.150 nan 0.000 0.423 377 V N 1.048 120.963 119.914 0.002 0.000 2.435 377 V HA 0.626 4.750 4.120 0.007 0.000 0.290 377 V C 0.584 176.691 176.094 0.021 0.000 1.030 377 V CA -0.345 61.967 62.300 0.021 0.000 0.881 377 V CB 1.655 33.487 31.823 0.015 0.000 0.983 377 V HN 0.929 nan 8.190 nan 0.000 0.445 378 S N 2.799 118.523 115.700 0.039 0.000 2.452 378 S HA 0.275 4.750 4.470 0.007 0.000 0.284 378 S C 0.926 175.549 174.600 0.038 0.000 1.171 378 S CA -0.528 57.698 58.200 0.044 0.000 1.064 378 S CB 0.801 64.043 63.200 0.069 0.000 0.967 378 S HN 0.815 nan 8.310 nan 0.000 0.484 379 E N 2.234 122.454 120.200 0.032 0.000 2.285 379 E HA 0.017 4.371 4.350 0.007 0.000 0.194 379 E C 0.751 177.376 176.600 0.042 0.000 0.997 379 E CA 0.650 57.068 56.400 0.030 0.000 0.845 379 E CB 0.263 29.977 29.700 0.023 0.000 0.782 379 E HN 0.810 nan 8.360 nan 0.000 0.491 380 T N -1.961 112.627 114.554 0.056 0.000 2.838 380 T HA 0.404 4.758 4.350 0.007 0.000 0.292 380 T C -0.477 174.287 174.700 0.106 0.000 1.113 380 T CA -1.017 61.129 62.100 0.077 0.000 1.008 380 T CB 1.396 70.314 68.868 0.082 0.000 1.259 380 T HN -0.063 nan 8.240 nan 0.000 0.520 381 L N 1.129 122.439 121.223 0.146 0.000 2.513 381 L HA 0.417 4.761 4.340 0.007 0.000 0.272 381 L C -0.818 176.190 176.870 0.229 0.000 1.187 381 L CA 0.031 54.995 54.840 0.206 0.000 0.895 381 L CB -0.483 41.733 42.059 0.262 0.000 1.147 381 L HN 0.555 nan 8.230 nan 0.000 0.483 382 L N 7.613 128.969 121.223 0.221 0.000 2.294 382 L HA 0.417 4.762 4.340 0.007 0.000 0.283 382 L C -0.870 176.168 176.870 0.280 0.000 1.015 382 L CA -0.730 54.227 54.840 0.195 0.000 0.831 382 L CB 0.584 42.791 42.059 0.247 0.000 1.217 382 L HN 0.648 nan 8.230 nan 0.000 0.420 383 Y N 1.231 121.616 120.300 0.141 0.000 2.562 383 Y HA 0.636 5.190 4.550 0.008 0.000 0.343 383 Y C 0.250 176.234 175.900 0.140 0.000 1.025 383 Y CA -1.193 56.971 58.100 0.107 0.000 1.082 383 Y CB 1.649 40.085 38.460 -0.039 0.000 1.264 383 Y HN 0.309 nan 8.280 nan 0.000 0.478 384 K N 0.903 121.464 120.400 0.270 0.000 2.344 384 K HA 0.360 4.684 4.320 0.007 0.000 0.200 384 K C -0.207 176.471 176.600 0.131 0.000 1.132 384 K CA 0.198 56.601 56.287 0.193 0.000 0.935 384 K CB 0.315 32.997 32.500 0.303 0.000 1.089 384 K HN 0.750 nan 8.250 nan 0.000 0.496 385 R N 1.079 121.645 120.500 0.110 0.000 2.389 385 R HA 0.316 4.661 4.340 0.007 0.000 0.295 385 R C -1.054 175.299 176.300 0.087 0.000 1.075 385 R CA 0.273 56.392 56.100 0.032 0.000 1.005 385 R CB 0.728 30.963 30.300 -0.107 0.000 0.987 385 R HN 0.250 nan 8.270 nan 0.000 0.452 386 D N -0.272 120.175 120.400 0.078 0.000 2.884 386 D HA 0.011 4.656 4.640 0.007 0.000 0.255 386 D C 0.130 176.515 176.300 0.141 0.000 1.142 386 D CA -0.349 53.722 54.000 0.118 0.000 0.726 386 D CB 0.951 41.886 40.800 0.226 0.000 1.436 386 D HN 0.302 nan 8.370 nan 0.000 0.441 387 T N 0.955 115.620 114.554 0.185 0.000 2.746 387 T HA -0.043 4.311 4.350 0.007 0.000 0.267 387 T C 1.506 176.358 174.700 0.254 0.000 1.039 387 T CA 1.388 63.625 62.100 0.229 0.000 1.142 387 T CB -0.052 69.011 68.868 0.324 0.000 0.866 387 T HN 0.367 nan 8.240 nan 0.000 0.444 388 L N -2.620 118.786 121.223 0.306 0.000 2.730 388 L HA 0.430 4.775 4.340 0.007 0.000 0.236 388 L C -0.001 177.038 176.870 0.280 0.000 1.061 388 L CA -0.225 54.785 54.840 0.284 0.000 0.898 388 L CB 0.616 42.812 42.059 0.229 0.000 1.270 388 L HN 0.206 nan 8.230 nan 0.000 0.500 389 Y N 0.591 120.991 120.300 0.167 0.000 2.552 389 Y HA 0.559 5.114 4.550 0.007 0.000 0.337 389 Y C -0.907 175.057 175.900 0.107 0.000 1.094 389 Y CA -1.029 57.132 58.100 0.101 0.000 1.028 389 Y CB 1.867 40.358 38.460 0.052 0.000 1.321 389 Y HN -0.024 nan 8.280 nan 0.000 0.456 390 S N 1.293 116.410 115.700 -0.973 0.000 2.579 390 S HA 0.339 4.814 4.470 0.007 0.000 0.272 390 S C 0.195 174.038 174.600 -1.262 0.000 1.141 390 S CA -0.109 57.492 58.200 -0.999 0.000 0.843 390 S CB 1.236 64.132 63.200 -0.507 0.000 1.122 390 S HN 1.004 nan 8.310 nan 0.000 0.468 391 T N -1.233 112.606 114.554 -1.192 0.000 2.904 391 T HA -0.071 4.284 4.350 0.007 0.000 0.267 391 T C 1.489 175.906 174.700 -0.470 0.000 1.059 391 T CA 0.796 62.514 62.100 -0.637 0.000 1.137 391 T CB -0.607 68.047 68.868 -0.357 0.000 0.879 391 T HN 0.754 nan 8.240 nan 0.000 0.467 392 W N 2.682 123.637 121.300 -0.576 0.000 2.355 392 W HA -0.147 4.518 4.660 0.008 0.000 0.309 392 W C 1.057 177.298 176.519 -0.464 0.000 1.206 392 W CA 1.464 58.505 57.345 -0.506 0.000 1.284 392 W CB -0.281 28.823 29.460 -0.593 0.000 1.145 392 W HN 0.247 nan 8.180 nan 0.000 0.502 393 D N 0.135 120.196 120.400 -0.565 0.000 2.178 393 D HA -0.238 4.406 4.640 0.007 0.000 0.202 393 D C 2.061 178.006 176.300 -0.591 0.000 0.974 393 D CA 1.518 55.193 54.000 -0.542 0.000 0.841 393 D CB -0.456 40.180 40.800 -0.273 0.000 0.953 393 D HN 0.428 nan 8.370 nan 0.000 0.478 394 Q N 0.293 119.733 119.800 -0.599 0.000 2.079 394 Q HA -0.149 4.196 4.340 0.007 0.000 0.200 394 Q C 2.247 177.780 176.000 -0.778 0.000 0.974 394 Q CA 0.701 56.141 55.803 -0.605 0.000 0.840 394 Q CB -0.083 28.453 28.738 -0.337 0.000 0.898 394 Q HN 0.144 nan 8.270 nan 0.000 0.430 395 L N 0.211 121.015 121.223 -0.698 0.000 2.042 395 L HA -0.157 4.187 4.340 0.007 0.000 0.210 395 L C 2.135 178.524 176.870 -0.802 0.000 1.076 395 L CA 1.560 55.995 54.840 -0.676 0.000 0.749 395 L CB -0.684 40.995 42.059 -0.633 0.000 0.893 395 L HN 0.127 nan 8.230 nan 0.000 0.432 396 V N 0.213 119.553 119.914 -0.955 0.000 2.343 396 V HA -0.225 3.899 4.120 0.007 0.000 0.247 396 V C 2.641 178.401 176.094 -0.557 0.000 1.051 396 V CA 1.779 63.635 62.300 -0.741 0.000 1.036 396 V CB -1.680 29.760 31.823 -0.637 0.000 0.654 396 V HN 0.649 nan 8.190 nan 0.000 0.451 397 G N -0.541 107.884 108.800 -0.624 0.000 2.418 397 G HA2 -0.237 3.728 3.960 0.007 0.000 0.217 397 G HA3 -0.237 3.728 3.960 0.007 0.000 0.217 397 G C 1.465 175.979 174.900 -0.643 0.000 1.158 397 G CA 0.891 45.647 45.100 -0.574 0.000 0.771 397 G HN 0.578 nan 8.290 nan 0.000 0.545 398 E N 0.528 120.158 120.200 -0.950 0.000 2.072 398 E HA -0.018 4.337 4.350 0.007 0.000 0.191 398 E C 2.945 179.135 176.600 -0.682 0.000 0.985 398 E CA 0.681 56.711 56.400 -0.617 0.000 0.801 398 E CB -0.172 29.206 29.700 -0.536 0.000 0.750 398 E HN 0.413 nan 8.360 nan 0.000 0.452 399 A N 1.061 123.323 122.820 -0.929 0.000 1.877 399 A HA -0.150 4.174 4.320 0.007 0.000 0.216 399 A C 2.525 179.798 177.584 -0.519 0.000 1.186 399 A CA 1.216 52.548 52.037 -1.174 0.000 0.620 399 A CB -0.728 17.781 19.000 -0.819 0.000 0.822 399 A HN 0.112 nan 8.150 nan 0.000 0.443 400 V N 0.272 120.002 119.914 -0.306 0.000 2.295 400 V HA -0.277 3.848 4.120 0.007 0.000 0.246 400 V C 2.451 178.548 176.094 0.006 0.000 1.049 400 V CA 2.366 64.632 62.300 -0.057 0.000 1.024 400 V CB -0.645 31.158 31.823 -0.034 0.000 0.648 400 V HN 0.532 nan 8.190 nan 0.000 0.447 401 K N -0.076 120.297 120.400 -0.045 0.000 2.211 401 K HA -0.055 4.269 4.320 0.007 0.000 0.203 401 K C 2.255 178.838 176.600 -0.028 0.000 1.050 401 K CA 1.243 57.538 56.287 0.013 0.000 0.945 401 K CB -0.301 32.252 32.500 0.087 0.000 0.732 401 K HN 0.487 nan 8.250 nan 0.000 0.451 402 A N 1.404 124.155 122.820 -0.115 0.000 1.898 402 A HA -0.118 4.207 4.320 0.007 0.000 0.216 402 A C 1.953 179.489 177.584 -0.080 0.000 1.181 402 A CA 1.126 53.123 52.037 -0.067 0.000 0.620 402 A CB -0.225 18.749 19.000 -0.043 0.000 0.819 402 A HN 0.081 nan 8.150 nan 0.000 0.442 403 I N -2.286 118.185 120.570 -0.166 0.000 2.584 403 I HA -0.022 4.153 4.170 0.007 0.000 0.255 403 I C 0.026 175.783 176.117 -0.600 0.000 1.145 403 I CA 0.898 61.972 61.300 -0.376 0.000 1.462 403 I CB -0.990 36.725 38.000 -0.475 0.000 1.102 403 I HN 0.339 nan 8.210 nan 0.000 0.433 404 Y N 0.793 121.069 120.300 -0.040 0.000 2.748 404 Y HA 0.352 4.906 4.550 0.007 0.000 0.359 404 Y C -1.735 174.134 175.900 -0.052 0.000 1.030 404 Y CA -2.259 55.811 58.100 -0.050 0.000 1.169 404 Y CB 0.247 38.646 38.460 -0.100 0.000 1.127 404 Y HN -0.031 nan 8.280 nan 0.000 0.644 405 P HA -0.153 nan 4.420 nan 0.000 0.221 405 P C 0.653 177.973 177.300 0.034 0.000 1.145 405 P CA 1.432 64.552 63.100 0.033 0.000 0.795 405 P CB 0.418 32.129 31.700 0.018 0.000 0.775 406 E N -1.056 119.172 120.200 0.046 0.000 2.274 406 E HA -0.028 4.327 4.350 0.007 0.000 0.194 406 E C 0.462 177.056 176.600 -0.010 0.000 0.996 406 E CA 0.251 56.666 56.400 0.026 0.000 0.840 406 E CB -0.544 29.177 29.700 0.035 0.000 0.772 406 E HN 0.051 nan 8.360 nan 0.000 0.491 407 V N 2.251 122.150 119.914 -0.025 0.000 2.585 407 V HA -0.062 4.062 4.120 0.007 0.000 0.296 407 V C 1.039 177.107 176.094 -0.044 0.000 1.035 407 V CA 0.608 62.863 62.300 -0.074 0.000 1.084 407 V CB 1.051 32.821 31.823 -0.088 0.000 0.953 407 V HN 0.182 nan 8.190 nan 0.000 0.483 408 E N 2.916 123.090 120.200 -0.043 0.000 2.251 408 E HA 0.121 4.476 4.350 0.007 0.000 0.194 408 E C 0.038 176.580 176.600 -0.098 0.000 0.964 408 E CA 0.416 56.802 56.400 -0.022 0.000 0.868 408 E CB 0.948 30.711 29.700 0.104 0.000 0.828 408 E HN 0.681 nan 8.360 nan 0.000 0.481 409 V N -1.061 118.786 119.914 -0.112 0.000 2.760 409 V HA 0.542 4.667 4.120 0.007 0.000 0.309 409 V C -0.573 175.430 176.094 -0.151 0.000 1.077 409 V CA -1.121 61.057 62.300 -0.203 0.000 0.910 409 V CB 2.028 33.679 31.823 -0.287 0.000 1.008 409 V HN -0.228 nan 8.190 nan 0.000 0.424 410 V N 4.687 124.514 119.914 -0.146 0.000 2.378 410 V HA 0.527 4.651 4.120 0.007 0.000 0.288 410 V C -0.659 175.380 176.094 -0.091 0.000 1.016 410 V CA -0.213 62.073 62.300 -0.023 0.000 0.840 410 V CB 1.293 33.151 31.823 0.058 0.000 0.994 410 V HN 0.783 nan 8.190 nan 0.000 0.431 411 F N 2.499 122.451 119.950 0.004 0.000 2.391 411 F HA 0.463 4.994 4.527 0.007 0.000 0.359 411 F C 0.955 176.729 175.800 -0.043 0.000 1.122 411 F CA 0.091 58.091 58.000 0.000 0.000 1.120 411 F CB 1.411 40.423 39.000 0.020 0.000 1.142 411 F HN 0.390 nan 8.300 nan 0.000 0.483 412 S N 5.196 120.929 115.700 0.054 0.000 2.489 412 S HA 0.424 4.899 4.470 0.007 0.000 0.291 412 S C -2.526 172.002 174.600 -0.120 0.000 1.151 412 S CA -1.456 56.682 58.200 -0.103 0.000 1.082 412 S CB 1.373 64.560 63.200 -0.022 0.000 1.019 412 S HN 0.273 nan 8.310 nan 0.000 0.492 413 P HA 0.193 nan 4.420 nan 0.000 0.276 413 P C -0.928 176.359 177.300 -0.023 0.000 1.235 413 P CA -0.310 62.733 63.100 -0.095 0.000 0.772 413 P CB 0.620 32.268 31.700 -0.088 0.000 0.871 414 A N 4.480 127.311 122.820 0.019 0.000 3.117 414 A HA 0.297 4.622 4.320 0.007 0.000 0.255 414 A C 0.862 178.431 177.584 -0.024 0.000 1.583 414 A CA -0.510 51.532 52.037 0.008 0.000 1.234 414 A CB -1.287 17.738 19.000 0.041 0.000 1.076 414 A HN 0.497 nan 8.150 nan 0.000 0.653 415 V N -2.196 117.648 119.914 -0.116 0.000 3.051 415 V HA 0.246 4.371 4.120 0.007 0.000 0.306 415 V C 1.006 176.921 176.094 -0.298 0.000 1.083 415 V CA -0.312 61.830 62.300 -0.264 0.000 1.104 415 V CB 0.481 31.817 31.823 -0.811 0.000 1.027 415 V HN 0.604 nan 8.190 nan 0.000 0.483 416 R N 2.132 122.469 120.500 -0.272 0.000 2.317 416 R HA 0.201 4.545 4.340 0.007 0.000 0.208 416 R C 0.309 176.676 176.300 0.111 0.000 0.914 416 R CA 0.020 55.995 56.100 -0.207 0.000 1.060 416 R CB 0.259 30.265 30.300 -0.489 0.000 1.015 416 R HN 0.909 nan 8.270 nan 0.000 0.498 417 W N 0.246 121.505 121.300 -0.068 0.000 2.359 417 W HA 0.668 5.332 4.660 0.007 0.000 0.344 417 W C -0.025 176.477 176.519 -0.029 0.000 1.170 417 W CA -0.417 56.843 57.345 -0.142 0.000 1.296 417 W CB 0.463 29.324 29.460 -1.000 0.000 1.197 417 W HN 0.068 nan 8.180 nan 0.000 0.618 418 G N 0.168 109.062 108.800 0.157 0.000 2.356 418 G HA2 0.334 4.298 3.960 0.007 0.000 0.266 418 G HA3 0.334 4.298 3.960 0.007 0.000 0.266 418 G C -1.439 173.160 174.900 -0.501 0.000 1.312 418 G CA -0.072 44.985 45.100 -0.071 0.000 0.922 418 G HN 0.795 nan 8.290 nan 0.000 0.480 419 T N -1.590 112.706 114.554 -0.430 0.000 2.711 419 T HA 0.715 5.070 4.350 0.007 0.000 0.302 419 T C -1.475 173.304 174.700 0.133 0.000 1.373 419 T CA 0.489 62.456 62.100 -0.222 0.000 1.000 419 T CB 1.663 70.315 68.868 -0.359 0.000 1.483 419 T HN 1.064 nan 8.240 nan 0.000 0.499 420 T N 2.650 117.382 114.554 0.296 0.000 2.841 420 T HA 0.598 4.952 4.350 0.007 0.000 0.285 420 T C -0.791 174.071 174.700 0.271 0.000 0.991 420 T CA -0.593 61.708 62.100 0.335 0.000 0.966 420 T CB 0.685 69.761 68.868 0.346 0.000 0.962 420 T HN 0.433 nan 8.240 nan 0.000 0.438 421 I N 3.977 124.669 120.570 0.203 0.000 2.336 421 I HA 0.368 4.542 4.170 0.007 0.000 0.292 421 I C 0.369 176.552 176.117 0.109 0.000 0.991 421 I CA -0.785 60.568 61.300 0.090 0.000 1.227 421 I CB 0.865 38.891 38.000 0.044 0.000 1.366 421 I HN 0.504 nan 8.210 nan 0.000 0.466 422 L N 7.170 128.406 121.223 0.021 0.000 2.456 422 L HA 0.350 4.694 4.340 0.007 0.000 0.257 422 L C -2.073 174.807 176.870 0.017 0.000 1.162 422 L CA -1.706 53.123 54.840 -0.019 0.000 0.808 422 L CB 0.303 42.232 42.059 -0.215 0.000 1.136 422 L HN 0.276 nan 8.230 nan 0.000 0.466 423 P HA 0.045 nan 4.420 nan 0.000 0.265 423 P C 0.619 177.926 177.300 0.012 0.000 1.193 423 P CA 0.714 63.832 63.100 0.030 0.000 0.765 423 P CB 0.682 32.400 31.700 0.029 0.000 0.823 424 G N 1.469 110.282 108.800 0.021 0.000 2.179 424 G HA2 -0.289 3.676 3.960 0.007 0.000 0.260 424 G HA3 -0.289 3.676 3.960 0.007 0.000 0.260 424 G C 0.224 175.141 174.900 0.028 0.000 0.977 424 G CA -0.018 45.093 45.100 0.019 0.000 0.641 424 G HN 0.660 nan 8.290 nan 0.000 0.533 425 Q N 0.639 120.460 119.800 0.035 0.000 2.259 425 Q HA 0.669 5.014 4.340 0.007 0.000 0.249 425 Q C 0.521 176.567 176.000 0.077 0.000 0.914 425 Q CA 0.034 55.874 55.803 0.061 0.000 0.904 425 Q CB 0.930 29.706 28.738 0.064 0.000 1.213 425 Q HN 0.869 nan 8.270 nan 0.000 0.428 426 A N 4.614 127.499 122.820 0.108 0.000 2.363 426 A HA 0.371 4.696 4.320 0.007 0.000 0.270 426 A C -0.323 177.375 177.584 0.191 0.000 1.121 426 A CA -0.461 51.646 52.037 0.116 0.000 0.800 426 A CB 0.179 19.241 19.000 0.104 0.000 1.052 426 A HN 0.809 nan 8.150 nan 0.000 0.493 427 I N 2.509 123.174 120.570 0.158 0.000 2.395 427 I HA 0.321 4.495 4.170 0.007 0.000 0.289 427 I C 0.971 177.218 176.117 0.216 0.000 1.023 427 I CA 0.042 61.490 61.300 0.246 0.000 1.350 427 I CB 1.386 39.479 38.000 0.156 0.000 1.409 427 I HN 0.823 nan 8.210 nan 0.000 0.507 428 T N 0.142 114.884 114.554 0.313 0.000 2.927 428 T HA 0.285 4.639 4.350 0.007 0.000 0.286 428 T C 0.506 175.101 174.700 -0.174 0.000 1.040 428 T CA -0.649 61.436 62.100 -0.026 0.000 1.010 428 T CB 1.160 69.956 68.868 -0.120 0.000 1.177 428 T HN 0.597 nan 8.240 nan 0.000 0.546 429 W N 0.193 121.270 121.300 -0.371 0.000 2.363 429 W HA -0.009 4.655 4.660 0.007 0.000 0.296 429 W C 2.145 178.289 176.519 -0.625 0.000 1.212 429 W CA 1.421 58.399 57.345 -0.611 0.000 1.260 429 W CB -0.192 28.712 29.460 -0.928 0.000 1.131 429 W HN 0.892 nan 8.180 nan 0.000 0.530 430 D N -1.439 118.804 120.400 -0.262 0.000 2.149 430 D HA -0.207 4.438 4.640 0.007 0.000 0.198 430 D C 1.667 177.880 176.300 -0.145 0.000 0.990 430 D CA 1.706 55.596 54.000 -0.183 0.000 0.839 430 D CB -0.197 40.437 40.800 -0.277 0.000 0.948 430 D HN 0.275 nan 8.370 nan 0.000 0.460 431 H N -0.759 118.248 119.070 -0.105 0.000 2.357 431 H HA 0.030 4.590 4.556 0.007 0.000 0.301 431 H C 2.191 177.438 175.328 -0.135 0.000 1.082 431 H CA 0.760 56.708 56.048 -0.167 0.000 1.342 431 H CB 0.062 29.773 29.762 -0.086 0.000 1.389 431 H HN 0.112 nan 8.280 nan 0.000 0.511 432 L N -0.062 121.161 121.223 0.001 0.000 2.042 432 L HA -0.244 4.101 4.340 0.007 0.000 0.210 432 L C 1.921 178.860 176.870 0.115 0.000 1.076 432 L CA 1.211 56.070 54.840 0.032 0.000 0.749 432 L CB -0.465 41.438 42.059 -0.261 0.000 0.893 432 L HN 0.368 nan 8.230 nan 0.000 0.432 433 Y N -0.148 120.214 120.300 0.104 0.000 2.314 433 Y HA -0.094 4.460 4.550 0.007 0.000 0.293 433 Y C 2.634 178.547 175.900 0.021 0.000 1.129 433 Y CA 0.532 58.659 58.100 0.045 0.000 1.201 433 Y CB -0.990 37.432 38.460 -0.064 0.000 0.999 433 Y HN 0.098 nan 8.280 nan 0.000 0.541 434 A N -1.002 121.855 122.820 0.062 0.000 1.972 434 A HA -0.184 4.140 4.320 0.007 0.000 0.219 434 A C 1.692 179.289 177.584 0.022 0.000 1.169 434 A CA 1.544 53.518 52.037 -0.104 0.000 0.635 434 A CB -0.923 17.881 19.000 -0.327 0.000 0.810 434 A HN 0.468 nan 8.150 nan 0.000 0.446 435 Y N -0.097 120.216 120.300 0.022 0.000 2.436 435 Y HA 0.038 4.593 4.550 0.008 0.000 0.288 435 Y C 2.286 178.347 175.900 0.269 0.000 1.112 435 Y CA 1.481 59.543 58.100 -0.063 0.000 1.220 435 Y CB 0.176 38.304 38.460 -0.554 0.000 1.073 435 Y HN 0.417 nan 8.280 nan 0.000 0.552 436 T N -4.340 110.601 114.554 0.645 0.000 3.275 436 T HA 0.286 4.640 4.350 0.007 0.000 0.298 436 T C 1.208 176.439 174.700 0.885 0.000 0.988 436 T CA 0.088 62.682 62.100 0.823 0.000 0.936 436 T CB -0.193 69.105 68.868 0.716 0.000 1.159 436 T HN 0.162 nan 8.240 nan 0.000 0.519 437 G N 1.411 110.568 108.800 0.596 0.000 3.263 437 G HA2 0.401 4.365 3.960 0.007 0.000 0.246 437 G HA3 0.401 4.365 3.960 0.007 0.000 0.246 437 G C -0.224 174.775 174.900 0.164 0.000 0.982 437 G CA -0.482 44.834 45.100 0.359 0.000 1.897 437 G HN 0.517 nan 8.290 nan 0.000 0.624 438 F N 0.140 120.323 119.950 0.389 0.000 2.418 438 F HA 0.203 4.735 4.527 0.008 0.000 0.341 438 F C 2.131 178.075 175.800 0.240 0.000 1.120 438 F CA 0.049 58.187 58.000 0.230 0.000 1.232 438 F CB 1.245 40.267 39.000 0.036 0.000 1.175 438 F HN 0.185 nan 8.300 nan 0.000 0.569 439 T N -1.874 112.962 114.554 0.470 0.000 3.118 439 T HA -0.097 4.258 4.350 0.007 0.000 0.260 439 T C 0.015 175.093 174.700 0.630 0.000 1.139 439 T CA 0.617 62.995 62.100 0.463 0.000 1.085 439 T CB -0.880 68.204 68.868 0.360 0.000 0.934 439 T HN 0.565 nan 8.240 nan 0.000 0.518 440 Y N -0.462 120.200 120.300 0.603 0.000 2.658 440 Y HA 0.578 5.132 4.550 0.008 0.000 0.362 440 Y C -2.505 173.632 175.900 0.394 0.000 1.017 440 Y CA -2.969 55.415 58.100 0.472 0.000 1.134 440 Y CB 0.860 39.607 38.460 0.477 0.000 1.144 440 Y HN -0.048 nan 8.280 nan 0.000 0.655 441 P HA 0.082 nan 4.420 nan 0.000 0.257 441 P C -0.538 176.765 177.300 0.006 0.000 1.281 441 P CA 0.091 63.285 63.100 0.157 0.000 0.826 441 P CB 0.396 32.180 31.700 0.140 0.000 1.237 442 E N 0.685 120.901 120.200 0.026 0.000 2.529 442 E HA 0.079 4.433 4.350 0.007 0.000 0.259 442 E C 0.006 176.485 176.600 -0.202 0.000 0.966 442 E CA 0.136 56.430 56.400 -0.177 0.000 0.937 442 E CB 0.011 29.494 29.700 -0.360 0.000 0.923 442 E HN 0.058 nan 8.360 nan 0.000 0.468 443 L N 4.622 125.727 121.223 -0.196 0.000 2.276 443 L HA 0.324 4.668 4.340 0.007 0.000 0.286 443 L C -1.530 175.281 176.870 -0.099 0.000 1.061 443 L CA -0.218 54.596 54.840 -0.043 0.000 0.807 443 L CB 0.158 42.201 42.059 -0.026 0.000 1.177 443 L HN 0.405 nan 8.230 nan 0.000 0.429 444 Y N 5.053 125.490 120.300 0.228 0.000 2.409 444 Y HA 0.627 5.181 4.550 0.007 0.000 0.339 444 Y C -0.621 175.341 175.900 0.103 0.000 1.033 444 Y CA -0.715 57.561 58.100 0.295 0.000 1.094 444 Y CB 1.724 40.378 38.460 0.323 0.000 1.210 444 Y HN 0.389 nan 8.280 nan 0.000 0.456 445 L N 5.183 126.409 121.223 0.006 0.000 2.333 445 L HA 0.611 4.955 4.340 0.007 0.000 0.280 445 L C -1.018 175.810 176.870 -0.070 0.000 1.004 445 L CA -0.788 53.814 54.840 -0.396 0.000 0.820 445 L CB 0.611 42.101 42.059 -0.949 0.000 1.247 445 L HN 0.548 nan 8.230 nan 0.000 0.416 446 F N 0.967 120.779 119.950 -0.231 0.000 2.719 446 F HA 0.575 5.106 4.527 0.007 0.000 0.309 446 F C -1.491 174.159 175.800 -0.250 0.000 1.138 446 F CA -1.464 56.429 58.000 -0.177 0.000 0.943 446 F CB 0.809 39.782 39.000 -0.045 0.000 1.304 446 F HN 0.174 nan 8.300 nan 0.000 0.445 447 Y N 2.190 122.586 120.300 0.161 0.000 2.299 447 Y HA 0.698 5.253 4.550 0.008 0.000 0.326 447 Y C -0.107 175.910 175.900 0.196 0.000 1.164 447 Y CA -0.586 57.577 58.100 0.104 0.000 1.234 447 Y CB 1.218 39.723 38.460 0.075 0.000 1.219 447 Y HN 0.509 nan 8.280 nan 0.000 0.497 448 L N 3.660 125.070 121.223 0.312 0.000 2.381 448 L HA 0.558 4.902 4.340 0.007 0.000 0.268 448 L C -0.338 176.695 176.870 0.272 0.000 0.997 448 L CA -1.079 53.919 54.840 0.264 0.000 0.818 448 L CB 2.198 44.388 42.059 0.218 0.000 1.310 448 L HN 0.579 nan 8.230 nan 0.000 0.416 449 R N 0.584 121.205 120.500 0.201 0.000 2.582 449 R HA 0.180 4.525 4.340 0.007 0.000 0.271 449 R C 1.259 177.702 176.300 0.238 0.000 1.078 449 R CA 0.333 56.551 56.100 0.196 0.000 1.127 449 R CB 0.689 31.057 30.300 0.114 0.000 1.038 449 R HN 0.875 nan 8.270 nan 0.000 0.500 450 G N 1.235 110.228 108.800 0.321 0.000 2.469 450 G HA2 -0.365 3.599 3.960 0.007 0.000 0.219 450 G HA3 -0.365 3.599 3.960 0.007 0.000 0.219 450 G C 1.369 176.330 174.900 0.101 0.000 1.150 450 G CA 1.077 46.325 45.100 0.247 0.000 0.763 450 G HN 0.688 nan 8.290 nan 0.000 0.561 451 A N 0.188 123.064 122.820 0.093 0.000 1.978 451 A HA -0.108 4.216 4.320 0.007 0.000 0.220 451 A C 2.345 179.953 177.584 0.040 0.000 1.170 451 A CA 1.983 54.051 52.037 0.052 0.000 0.636 451 A CB -0.358 18.669 19.000 0.044 0.000 0.810 451 A HN 0.513 nan 8.150 nan 0.000 0.448 452 Q N -0.678 119.155 119.800 0.055 0.000 2.123 452 Q HA -0.035 4.310 4.340 0.007 0.000 0.199 452 Q C 2.017 178.037 176.000 0.034 0.000 0.966 452 Q CA 1.244 57.069 55.803 0.037 0.000 0.845 452 Q CB -0.268 28.499 28.738 0.049 0.000 0.907 452 Q HN 0.736 nan 8.270 nan 0.000 0.439 453 I N 1.022 121.629 120.570 0.060 0.000 2.127 453 I HA -0.308 3.866 4.170 0.007 0.000 0.241 453 I C 2.637 178.772 176.117 0.032 0.000 1.075 453 I CA 1.134 62.491 61.300 0.095 0.000 1.334 453 I CB -0.324 37.695 38.000 0.032 0.000 1.040 453 I HN 0.149 nan 8.210 nan 0.000 0.405 454 K N 1.425 121.817 120.400 -0.013 0.000 2.026 454 K HA -0.196 4.129 4.320 0.007 0.000 0.208 454 K C 2.136 178.721 176.600 -0.026 0.000 1.048 454 K CA 1.819 58.082 56.287 -0.040 0.000 0.929 454 K CB -0.191 32.293 32.500 -0.026 0.000 0.713 454 K HN 0.315 nan 8.250 nan 0.000 0.439 455 A N 0.811 123.627 122.820 -0.006 0.000 1.933 455 A HA -0.103 4.221 4.320 0.007 0.000 0.218 455 A C 2.390 179.968 177.584 -0.009 0.000 1.175 455 A CA 1.532 53.566 52.037 -0.006 0.000 0.628 455 A CB -0.586 18.413 19.000 -0.003 0.000 0.814 455 A HN 0.157 nan 8.150 nan 0.000 0.444 456 V N 0.026 119.935 119.914 -0.008 0.000 2.287 456 V HA -0.274 3.851 4.120 0.007 0.000 0.248 456 V C 2.584 178.683 176.094 0.008 0.000 1.053 456 V CA 2.109 64.403 62.300 -0.010 0.000 1.027 456 V CB -0.648 31.160 31.823 -0.025 0.000 0.646 456 V HN 0.594 nan 8.190 nan 0.000 0.447 457 L N -0.487 120.732 121.223 -0.007 0.000 2.056 457 L HA -0.182 4.163 4.340 0.007 0.000 0.207 457 L C 2.614 179.475 176.870 -0.014 0.000 1.078 457 L CA 1.736 56.541 54.840 -0.059 0.000 0.749 457 L CB -0.517 41.387 42.059 -0.260 0.000 0.901 457 L HN 0.349 nan 8.230 nan 0.000 0.433 458 E N 0.351 120.545 120.200 -0.010 0.000 2.077 458 E HA -0.267 4.088 4.350 0.007 0.000 0.193 458 E C 1.728 178.351 176.600 0.039 0.000 0.989 458 E CA 1.487 57.903 56.400 0.028 0.000 0.800 458 E CB -0.071 29.640 29.700 0.017 0.000 0.746 458 E HN 0.316 nan 8.360 nan 0.000 0.452 459 D N -0.421 119.990 120.400 0.018 0.000 2.097 459 D HA -0.115 4.530 4.640 0.007 0.000 0.195 459 D C 1.902 178.209 176.300 0.013 0.000 0.989 459 D CA 1.159 55.166 54.000 0.011 0.000 0.827 459 D CB -0.148 40.649 40.800 -0.005 0.000 0.966 459 D HN 0.291 nan 8.370 nan 0.000 0.456 460 I N 0.490 121.068 120.570 0.013 0.000 2.226 460 I HA -0.241 3.934 4.170 0.007 0.000 0.245 460 I C 2.498 178.607 176.117 -0.014 0.000 1.100 460 I CA 1.082 62.382 61.300 0.001 0.000 1.374 460 I CB -0.299 37.712 38.000 0.017 0.000 1.057 460 I HN 0.004 nan 8.210 nan 0.000 0.413 461 A N 0.027 122.888 122.820 0.069 0.000 1.940 461 A HA -0.219 4.106 4.320 0.007 0.000 0.219 461 A C 2.472 180.153 177.584 0.162 0.000 1.176 461 A CA 2.266 54.421 52.037 0.197 0.000 0.631 461 A CB -0.763 18.448 19.000 0.352 0.000 0.814 461 A HN 0.396 nan 8.150 nan 0.000 0.446 462 S N -0.065 115.697 115.700 0.102 0.000 2.399 462 S HA -0.156 4.319 4.470 0.007 0.000 0.231 462 S C 2.016 176.643 174.600 0.046 0.000 1.022 462 S CA 1.170 59.419 58.200 0.082 0.000 0.983 462 S CB -0.414 62.815 63.200 0.049 0.000 0.803 462 S HN 0.761 nan 8.310 nan 0.000 0.480 463 N N 1.390 120.091 118.700 0.002 0.000 2.173 463 N HA -0.080 4.664 4.740 0.007 0.000 0.184 463 N C 1.878 177.359 175.510 -0.050 0.000 1.025 463 N CA 1.750 54.794 53.050 -0.010 0.000 0.852 463 N CB -0.036 38.434 38.487 -0.028 0.000 0.998 463 N HN 0.397 nan 8.380 nan 0.000 0.427 464 V N -1.988 117.805 119.914 -0.201 0.000 3.129 464 V HA 0.135 4.259 4.120 0.007 0.000 0.259 464 V C 0.566 176.394 176.094 -0.444 0.000 1.116 464 V CA 0.913 62.991 62.300 -0.369 0.000 1.127 464 V CB -0.822 30.686 31.823 -0.526 0.000 0.742 464 V HN 0.050 nan 8.190 nan 0.000 0.474 465 F N 0.541 120.555 119.950 0.107 0.000 2.735 465 F HA 0.482 5.013 4.527 0.007 0.000 0.304 465 F C 0.895 176.732 175.800 0.062 0.000 1.119 465 F CA -0.558 57.493 58.000 0.085 0.000 1.280 465 F CB -0.068 38.975 39.000 0.072 0.000 0.994 465 F HN -0.035 nan 8.300 nan 0.000 0.520 466 T N -0.188 114.475 114.554 0.181 0.000 2.771 466 T HA 0.157 4.512 4.350 0.007 0.000 0.291 466 T C 1.210 175.989 174.700 0.133 0.000 0.954 466 T CA -0.111 62.067 62.100 0.130 0.000 1.045 466 T CB 0.805 69.726 68.868 0.088 0.000 0.917 466 T HN 0.196 nan 8.240 nan 0.000 0.484 467 S N 3.618 119.381 115.700 0.105 0.000 2.653 467 S HA -0.028 4.446 4.470 0.007 0.000 0.233 467 S C 0.492 175.168 174.600 0.126 0.000 0.970 467 S CA 0.047 58.306 58.200 0.097 0.000 0.947 467 S CB -0.301 62.937 63.200 0.063 0.000 0.771 467 S HN 0.817 nan 8.310 nan 0.000 0.538 468 D N 1.262 121.754 120.400 0.153 0.000 2.428 468 D HA 0.293 4.938 4.640 0.007 0.000 0.221 468 D C -1.896 174.574 176.300 0.283 0.000 1.123 468 D CA -2.500 51.623 54.000 0.205 0.000 0.869 468 D CB 1.153 42.073 40.800 0.200 0.000 1.032 468 D HN -0.127 nan 8.370 nan 0.000 0.506 469 P HA -0.157 nan 4.420 nan 0.000 0.218 469 P C 1.020 178.515 177.300 0.324 0.000 1.146 469 P CA 0.686 63.970 63.100 0.307 0.000 0.820 469 P CB -0.011 31.868 31.700 0.298 0.000 0.778 470 F N -1.963 118.110 119.950 0.205 0.000 2.269 470 F HA -0.124 4.407 4.527 0.007 0.000 0.301 470 F C 1.581 177.498 175.800 0.196 0.000 1.082 470 F CA 1.371 59.485 58.000 0.190 0.000 1.360 470 F CB -0.363 38.754 39.000 0.195 0.000 1.041 470 F HN -0.085 nan 8.300 nan 0.000 0.512 471 Y N -0.841 119.556 120.300 0.162 0.000 2.507 471 Y HA 0.102 4.657 4.550 0.007 0.000 0.254 471 Y C 1.857 177.775 175.900 0.030 0.000 1.171 471 Y CA -0.298 57.839 58.100 0.062 0.000 1.238 471 Y CB -0.214 38.308 38.460 0.104 0.000 1.148 471 Y HN 0.031 nan 8.280 nan 0.000 0.525 472 Q N 0.965 120.882 119.800 0.194 0.000 1.329 472 Q HA -0.277 4.067 4.340 0.007 0.000 0.638 472 Q C 0.990 177.044 176.000 0.091 0.000 0.971 472 Q CA 3.120 59.026 55.803 0.172 0.000 0.871 472 Q CB -0.085 28.784 28.738 0.217 0.000 0.929 472 Q HN 0.519 nan 8.270 nan 0.000 0.333 473 Q N -4.998 114.889 119.800 0.146 0.000 7.819 473 Q HA -0.093 4.252 4.340 0.007 0.000 0.363 473 Q C 0.537 176.780 176.000 0.404 0.000 0.943 473 Q CA 0.422 56.330 55.803 0.175 0.000 0.559 473 Q CB -1.381 27.312 28.738 -0.075 0.000 0.194 473 Q HN 0.800 nan 8.270 nan 0.000 0.911 474 G N 0.378 109.352 108.800 0.291 0.000 2.143 474 G HA2 -0.209 3.756 3.960 0.007 0.000 0.249 474 G HA3 -0.209 3.756 3.960 0.007 0.000 0.249 474 G C 0.227 175.196 174.900 0.115 0.000 0.981 474 G CA 0.606 45.853 45.100 0.245 0.000 0.665 474 G HN 0.662 nan 8.290 nan 0.000 0.528 475 G N -1.256 107.617 108.800 0.121 0.000 2.521 475 G HA2 0.632 4.597 3.960 0.007 0.000 0.323 475 G HA3 0.632 4.597 3.960 0.007 0.000 0.323 475 G C -0.571 174.337 174.900 0.014 0.000 1.211 475 G CA -0.019 45.124 45.100 0.072 0.000 0.979 475 G HN 0.140 nan 8.290 nan 0.000 0.490 476 D N -1.630 118.779 120.400 0.015 0.000 2.627 476 D HA 0.487 5.131 4.640 0.007 0.000 0.259 476 D C -0.264 176.050 176.300 0.024 0.000 1.164 476 D CA -0.268 53.741 54.000 0.015 0.000 1.087 476 D CB 1.593 42.417 40.800 0.040 0.000 1.217 476 D HN 0.120 nan 8.370 nan 0.000 0.630 477 V N 0.908 120.868 119.914 0.076 0.000 2.427 477 V HA 0.220 4.344 4.120 0.007 0.000 0.286 477 V C 0.318 176.483 176.094 0.119 0.000 1.034 477 V CA -0.691 61.673 62.300 0.106 0.000 0.893 477 V CB 1.374 33.317 31.823 0.201 0.000 0.982 477 V HN 0.409 nan 8.190 nan 0.000 0.452 478 S N 4.241 120.008 115.700 0.111 0.000 2.561 478 S HA 0.131 4.605 4.470 0.007 0.000 0.294 478 S C 0.231 174.899 174.600 0.113 0.000 1.294 478 S CA -0.117 58.153 58.200 0.118 0.000 1.055 478 S CB 0.012 63.324 63.200 0.186 0.000 0.819 478 S HN 0.631 nan 8.310 nan 0.000 0.503 479 R N 1.582 122.124 120.500 0.069 0.000 2.265 479 R HA 0.459 4.803 4.340 0.007 0.000 0.319 479 R C -0.999 175.282 176.300 -0.031 0.000 1.006 479 R CA -0.340 55.791 56.100 0.051 0.000 0.880 479 R CB 0.745 31.049 30.300 0.008 0.000 1.077 479 R HN 0.359 nan 8.270 nan 0.000 0.454 480 V N 4.726 124.595 119.914 -0.075 0.000 2.284 480 V HA 0.264 4.389 4.120 0.007 0.000 0.274 480 V C -0.633 175.379 176.094 -0.137 0.000 1.023 480 V CA -0.797 61.316 62.300 -0.313 0.000 0.808 480 V CB 0.261 31.721 31.823 -0.605 0.000 1.035 480 V HN 0.561 nan 8.190 nan 0.000 0.445 481 F N 3.970 123.781 119.950 -0.232 0.000 2.467 481 F HA 0.628 5.159 4.527 0.008 0.000 0.362 481 F C 1.204 176.896 175.800 -0.180 0.000 1.090 481 F CA 0.950 58.854 58.000 -0.161 0.000 1.202 481 F CB 1.048 39.958 39.000 -0.151 0.000 1.113 481 F HN 0.721 nan 8.300 nan 0.000 0.541 482 G N 4.670 113.014 108.800 -0.760 0.000 2.201 482 G HA2 -0.185 3.779 3.960 0.007 0.000 0.212 482 G HA3 -0.185 3.779 3.960 0.007 0.000 0.212 482 G C -0.716 173.973 174.900 -0.353 0.000 0.994 482 G CA -0.037 44.711 45.100 -0.586 0.000 0.644 482 G HN 0.922 nan 8.290 nan 0.000 0.508 483 L N 0.760 121.811 121.223 -0.286 0.000 2.333 483 L HA 0.990 5.334 4.340 0.007 0.000 0.263 483 L C -0.326 176.491 176.870 -0.088 0.000 1.014 483 L CA -1.260 53.467 54.840 -0.188 0.000 0.820 483 L CB 1.567 43.495 42.059 -0.218 0.000 1.352 483 L HN 0.375 nan 8.230 nan 0.000 0.421 484 R N 2.357 122.837 120.500 -0.032 0.000 2.725 484 R HA 0.629 4.973 4.340 0.007 0.000 0.277 484 R C -2.037 174.333 176.300 0.117 0.000 0.987 484 R CA -0.636 55.465 56.100 0.001 0.000 0.901 484 R CB 1.810 32.062 30.300 -0.080 0.000 1.207 484 R HN 0.759 nan 8.270 nan 0.000 0.463 485 Y N -1.875 118.363 120.300 -0.102 0.000 2.689 485 Y HA 0.655 5.209 4.550 0.007 0.000 0.333 485 Y C -1.866 173.988 175.900 -0.077 0.000 1.208 485 Y CA -1.369 56.684 58.100 -0.078 0.000 1.055 485 Y CB 1.222 39.647 38.460 -0.060 0.000 1.304 485 Y HN 0.242 nan 8.280 nan 0.000 0.455 486 V N 2.853 122.784 119.914 0.028 0.000 2.459 486 V HA 0.516 4.640 4.120 0.007 0.000 0.295 486 V C -0.933 175.182 176.094 0.035 0.000 1.029 486 V CA -0.599 61.656 62.300 -0.075 0.000 0.874 486 V CB 1.387 33.191 31.823 -0.032 0.000 0.985 486 V HN 0.715 nan 8.190 nan 0.000 0.438 487 L N 4.031 125.210 121.223 -0.074 0.000 2.341 487 L HA 0.724 5.069 4.340 0.007 0.000 0.278 487 L C -0.785 176.049 176.870 -0.060 0.000 1.005 487 L CA 0.119 54.970 54.840 0.018 0.000 0.818 487 L CB 1.809 43.868 42.059 -0.001 0.000 1.259 487 L HN 0.665 nan 8.230 nan 0.000 0.418 488 D N 6.361 126.733 120.400 -0.048 0.000 2.438 488 D HA 0.391 5.036 4.640 0.007 0.000 0.257 488 D C -1.989 174.231 176.300 -0.134 0.000 1.148 488 D CA -2.034 51.916 54.000 -0.083 0.000 0.902 488 D CB 1.820 42.596 40.800 -0.040 0.000 1.062 488 D HN 0.338 nan 8.370 nan 0.000 0.518 489 P HA -0.095 nan 4.420 nan 0.000 0.219 489 P C 0.396 177.604 177.300 -0.154 0.000 1.146 489 P CA 0.887 63.738 63.100 -0.416 0.000 0.808 489 P CB 0.575 31.895 31.700 -0.633 0.000 0.779 490 D N -0.623 119.717 120.400 -0.099 0.000 2.340 490 D HA 0.148 4.793 4.640 0.007 0.000 0.220 490 D C 1.070 177.361 176.300 -0.016 0.000 1.039 490 D CA 0.137 54.112 54.000 -0.042 0.000 0.866 490 D CB 0.193 40.969 40.800 -0.040 0.000 0.913 490 D HN 0.147 nan 8.370 nan 0.000 0.523 491 A N 1.901 124.712 122.820 -0.014 0.000 2.346 491 A HA 0.416 4.740 4.320 0.007 0.000 0.252 491 A C -2.223 175.373 177.584 0.020 0.000 1.089 491 A CA -0.912 51.127 52.037 0.003 0.000 0.797 491 A CB -0.011 18.992 19.000 0.005 0.000 1.047 491 A HN -0.108 nan 8.150 nan 0.000 0.494 492 P HA 0.199 nan 4.420 nan 0.000 0.272 492 P C -0.111 177.210 177.300 0.035 0.000 1.230 492 P CA -0.102 63.013 63.100 0.025 0.000 0.788 492 P CB 0.167 31.877 31.700 0.017 0.000 0.949 493 T N 1.414 115.990 114.554 0.037 0.000 2.908 493 T HA 0.301 4.655 4.350 0.007 0.000 0.301 493 T C 1.390 176.108 174.700 0.031 0.000 1.019 493 T CA 1.783 63.908 62.100 0.041 0.000 1.152 493 T CB -0.552 68.334 68.868 0.031 0.000 0.966 493 T HN 0.815 nan 8.240 nan 0.000 0.540 494 G N 3.336 112.157 108.800 0.034 0.000 2.213 494 G HA2 -0.211 3.753 3.960 0.007 0.000 0.236 494 G HA3 -0.211 3.753 3.960 0.007 0.000 0.236 494 G C 0.415 175.331 174.900 0.027 0.000 0.991 494 G CA 0.266 45.381 45.100 0.026 0.000 0.629 494 G HN 0.706 nan 8.290 nan 0.000 0.517 495 E N -0.572 119.647 120.200 0.031 0.000 2.714 495 E HA 0.255 4.610 4.350 0.007 0.000 0.219 495 E C 2.034 178.656 176.600 0.037 0.000 0.979 495 E CA -0.501 55.916 56.400 0.028 0.000 1.092 495 E CB 0.440 30.152 29.700 0.020 0.000 1.049 495 E HN 0.402 nan 8.360 nan 0.000 0.487 496 R N 0.404 120.937 120.500 0.054 0.000 2.153 496 R HA 0.069 4.414 4.340 0.007 0.000 0.218 496 R C 0.494 176.851 176.300 0.094 0.000 1.072 496 R CA 0.622 56.763 56.100 0.069 0.000 0.990 496 R CB 0.440 30.806 30.300 0.111 0.000 0.889 496 R HN -0.084 nan 8.270 nan 0.000 0.452 497 V N 2.965 122.933 119.914 0.091 0.000 2.347 497 V HA 0.311 4.435 4.120 0.007 0.000 0.280 497 V C -0.087 176.055 176.094 0.080 0.000 1.021 497 V CA -0.574 61.793 62.300 0.113 0.000 0.847 497 V CB 1.336 33.170 31.823 0.018 0.000 0.990 497 V HN 0.182 nan 8.190 nan 0.000 0.444 498 R N 2.687 123.253 120.500 0.110 0.000 2.888 498 R HA 0.511 4.856 4.340 0.007 0.000 0.264 498 R C -0.220 176.123 176.300 0.072 0.000 1.045 498 R CA -0.944 55.195 56.100 0.065 0.000 0.962 498 R CB 1.169 31.494 30.300 0.041 0.000 1.210 498 R HN 0.730 nan 8.270 nan 0.000 0.479 499 E N 0.274 120.497 120.200 0.038 0.000 2.269 499 E HA -0.159 4.196 4.350 0.007 0.000 0.223 499 E C -0.462 176.161 176.600 0.039 0.000 1.244 499 E CA 0.394 56.810 56.400 0.027 0.000 0.713 499 E CB -1.469 28.238 29.700 0.012 0.000 1.178 499 E HN 0.226 nan 8.360 nan 0.000 0.370 500 V N 1.116 121.050 119.914 0.034 0.000 2.555 500 V HA 0.088 4.213 4.120 0.007 0.000 0.286 500 V C 0.748 176.833 176.094 -0.014 0.000 1.044 500 V CA 0.647 62.958 62.300 0.019 0.000 1.026 500 V CB 1.042 32.845 31.823 -0.033 0.000 0.981 500 V HN 0.195 nan 8.190 nan 0.000 0.480 501 E N 3.142 123.325 120.200 -0.027 0.000 2.293 501 E HA 0.640 4.995 4.350 0.007 0.000 0.270 501 E C -1.597 174.950 176.600 -0.089 0.000 0.879 501 E CA -0.730 55.643 56.400 -0.045 0.000 0.756 501 E CB 2.779 32.457 29.700 -0.036 0.000 1.208 501 E HN 0.416 nan 8.360 nan 0.000 0.428 502 V N 1.543 121.402 119.914 -0.091 0.000 2.444 502 V HA 0.453 4.578 4.120 0.007 0.000 0.294 502 V C 0.711 176.774 176.094 -0.052 0.000 1.022 502 V CA -0.131 62.092 62.300 -0.128 0.000 0.850 502 V CB 1.342 33.017 31.823 -0.248 0.000 0.992 502 V HN 1.001 nan 8.190 nan 0.000 0.426 503 G N 3.729 112.473 108.800 -0.093 0.000 2.323 503 G HA2 0.049 4.014 3.960 0.007 0.000 0.292 503 G HA3 0.049 4.014 3.960 0.007 0.000 0.292 503 G C 1.190 176.061 174.900 -0.047 0.000 1.040 503 G CA 0.723 45.779 45.100 -0.073 0.000 0.942 503 G HN 2.334 nan 8.290 nan 0.000 0.506 504 G N -1.686 107.079 108.800 -0.058 0.000 2.189 504 G HA2 -0.322 3.643 3.960 0.007 0.000 0.267 504 G HA3 -0.322 3.643 3.960 0.007 0.000 0.267 504 G C 0.481 175.368 174.900 -0.021 0.000 0.975 504 G CA 1.241 46.316 45.100 -0.042 0.000 0.644 504 G HN 1.006 nan 8.290 nan 0.000 0.537 505 R N 0.305 120.801 120.500 -0.006 0.000 2.711 505 R HA 0.484 4.829 4.340 0.007 0.000 0.284 505 R C -2.610 173.702 176.300 0.020 0.000 0.968 505 R CA -2.140 53.968 56.100 0.013 0.000 0.924 505 R CB 1.598 31.919 30.300 0.035 0.000 1.162 505 R HN -0.009 nan 8.270 nan 0.000 0.465 506 P HA -0.067 nan 4.420 nan 0.000 0.266 506 P C -0.648 176.682 177.300 0.050 0.000 1.195 506 P CA -0.285 62.828 63.100 0.022 0.000 0.768 506 P CB 0.415 32.127 31.700 0.021 0.000 0.838 507 L N 3.276 124.516 121.223 0.029 0.000 2.499 507 L HA 0.080 4.424 4.340 0.007 0.000 0.273 507 L C 0.209 177.147 176.870 0.112 0.000 1.195 507 L CA 0.646 55.515 54.840 0.048 0.000 0.882 507 L CB -0.389 41.652 42.059 -0.030 0.000 1.133 507 L HN 0.243 nan 8.230 nan 0.000 0.483 508 D N 7.356 127.894 120.400 0.230 0.000 2.412 508 D HA 0.275 4.920 4.640 0.007 0.000 0.224 508 D C -1.757 174.655 176.300 0.187 0.000 1.093 508 D CA -2.186 51.914 54.000 0.166 0.000 0.850 508 D CB 1.548 42.421 40.800 0.121 0.000 1.046 508 D HN 0.381 nan 8.370 nan 0.000 0.507 509 P HA -0.139 nan 4.420 nan 0.000 0.218 509 P C 0.263 177.621 177.300 0.096 0.000 1.146 509 P CA 1.109 64.268 63.100 0.098 0.000 0.813 509 P CB 0.388 32.121 31.700 0.056 0.000 0.778 510 N N -1.515 117.226 118.700 0.069 0.000 2.299 510 N HA 0.034 4.779 4.740 0.007 0.000 0.187 510 N C 0.941 176.459 175.510 0.014 0.000 1.099 510 N CA -0.300 52.773 53.050 0.038 0.000 0.867 510 N CB 0.048 38.544 38.487 0.015 0.000 0.974 510 N HN 0.054 nan 8.380 nan 0.000 0.477 511 R N 1.516 122.021 120.500 0.008 0.000 2.490 511 R HA 0.243 4.587 4.340 0.007 0.000 0.280 511 R C -0.516 175.700 176.300 -0.140 0.000 1.077 511 R CA -0.322 55.690 56.100 -0.147 0.000 1.065 511 R CB 0.599 30.694 30.300 -0.343 0.000 1.003 511 R HN 0.014 nan 8.270 nan 0.000 0.470 512 R N 2.938 123.330 120.500 -0.179 0.000 2.254 512 R HA 0.198 4.542 4.340 0.007 0.000 0.318 512 R C -1.196 175.057 176.300 -0.078 0.000 1.031 512 R CA -0.146 55.934 56.100 -0.033 0.000 0.905 512 R CB 0.875 31.131 30.300 -0.074 0.000 1.050 512 R HN 0.507 nan 8.270 nan 0.000 0.456 513 Y N 2.187 122.591 120.300 0.175 0.000 2.409 513 Y HA 0.278 4.833 4.550 0.008 0.000 0.339 513 Y C -0.179 175.795 175.900 0.123 0.000 1.033 513 Y CA -1.130 57.051 58.100 0.135 0.000 1.094 513 Y CB 1.446 39.942 38.460 0.060 0.000 1.210 513 Y HN 0.347 nan 8.280 nan 0.000 0.456 514 L N 3.442 124.749 121.223 0.140 0.000 2.313 514 L HA 0.678 5.023 4.340 0.007 0.000 0.282 514 L C -0.200 176.520 176.870 -0.250 0.000 1.092 514 L CA -0.010 54.660 54.840 -0.283 0.000 0.831 514 L CB -0.311 41.539 42.059 -0.348 0.000 1.159 514 L HN 0.710 nan 8.230 nan 0.000 0.442 515 A N 4.412 126.955 122.820 -0.462 0.000 2.322 515 A HA 0.984 5.309 4.320 0.007 0.000 0.327 515 A C -0.889 176.264 177.584 -0.717 0.000 1.134 515 A CA -0.122 51.633 52.037 -0.470 0.000 0.831 515 A CB 1.403 20.126 19.000 -0.463 0.000 1.288 515 A HN 1.064 nan 8.150 nan 0.000 0.472 516 A N -0.385 122.211 122.820 -0.374 0.000 2.449 516 A HA 0.929 5.254 4.320 0.007 0.000 0.302 516 A C -0.412 177.224 177.584 0.086 0.000 1.048 516 A CA 0.042 51.931 52.037 -0.247 0.000 0.708 516 A CB 1.444 20.337 19.000 -0.178 0.000 1.274 516 A HN 2.557 nan 8.150 nan 0.000 0.410 517 A N 0.627 123.619 122.820 0.287 0.000 2.604 517 A HA 0.867 5.191 4.320 0.007 0.000 0.295 517 A C -1.247 176.594 177.584 0.427 0.000 1.067 517 A CA -0.353 51.913 52.037 0.381 0.000 0.683 517 A CB 0.990 20.248 19.000 0.429 0.000 1.281 517 A HN 2.176 nan 8.150 nan 0.000 0.407 518 Y N -1.707 118.690 120.300 0.162 0.000 2.597 518 Y HA 0.646 5.201 4.550 0.007 0.000 0.340 518 Y C 0.696 176.541 175.900 -0.091 0.000 1.097 518 Y CA -0.610 57.532 58.100 0.070 0.000 1.037 518 Y CB 1.203 39.655 38.460 -0.014 0.000 1.305 518 Y HN 2.275 nan 8.280 nan 0.000 0.463 519 G N -0.193 108.437 108.800 -0.283 0.000 2.143 519 G HA2 0.191 4.156 3.960 0.007 0.000 0.248 519 G HA3 0.191 4.156 3.960 0.007 0.000 0.248 519 G C 0.084 174.975 174.900 -0.016 0.000 0.991 519 G CA 0.413 45.059 45.100 -0.757 0.000 0.689 519 G HN 1.905 nan 8.290 nan 0.000 0.522 520 G N -1.699 107.175 108.800 0.124 0.000 2.793 520 G HA2 0.633 4.597 3.960 0.007 0.000 0.248 520 G HA3 0.633 4.597 3.960 0.007 0.000 0.248 520 G C 0.128 175.056 174.900 0.047 0.000 1.198 520 G CA 0.023 45.203 45.100 0.133 0.000 0.865 520 G HN 0.365 nan 8.290 nan 0.000 0.534 521 R N -0.585 119.880 120.500 -0.058 0.000 2.549 521 R HA 0.233 4.578 4.340 0.007 0.000 0.344 521 R C 1.793 177.937 176.300 -0.260 0.000 0.979 521 R CA -0.334 55.667 56.100 -0.163 0.000 1.140 521 R CB 0.384 30.601 30.300 -0.138 0.000 1.377 521 R HN 0.281 nan 8.270 nan 0.000 0.541 522 L N 2.537 123.611 121.223 -0.248 0.000 2.081 522 L HA -0.250 4.094 4.340 0.007 0.000 0.212 522 L C 2.437 178.911 176.870 -0.661 0.000 1.080 522 L CA 1.933 56.568 54.840 -0.341 0.000 0.754 522 L CB -0.332 41.563 42.059 -0.274 0.000 0.893 522 L HN 0.231 nan 8.230 nan 0.000 0.433 523 Q N -0.276 118.968 119.800 -0.926 0.000 2.297 523 Q HA -0.254 4.090 4.340 0.007 0.000 0.208 523 Q C 2.008 177.497 176.000 -0.851 0.000 0.981 523 Q CA 1.620 56.528 55.803 -1.491 0.000 0.876 523 Q CB -0.791 27.238 28.738 -1.183 0.000 0.921 523 Q HN 0.551 nan 8.270 nan 0.000 0.446 524 R N 0.941 121.109 120.500 -0.552 0.000 2.152 524 R HA -0.057 4.288 4.340 0.007 0.000 0.232 524 R C 2.141 178.279 176.300 -0.270 0.000 1.117 524 R CA 1.460 57.349 56.100 -0.351 0.000 0.981 524 R CB -0.230 29.912 30.300 -0.262 0.000 0.870 524 R HN 0.366 nan 8.270 nan 0.000 0.451 525 V N -3.198 116.544 119.914 -0.286 0.000 3.542 525 V HA 0.371 4.495 4.120 0.007 0.000 0.296 525 V C 0.617 176.640 176.094 -0.119 0.000 1.364 525 V CA -0.019 62.180 62.300 -0.168 0.000 1.118 525 V CB 0.342 32.089 31.823 -0.127 0.000 0.972 525 V HN 0.138 nan 8.190 nan 0.000 0.430 526 G N 0.006 108.685 108.800 -0.201 0.000 2.601 526 G HA2 0.633 4.598 3.960 0.007 0.000 0.317 526 G HA3 0.633 4.598 3.960 0.007 0.000 0.317 526 G C -0.977 173.965 174.900 0.070 0.000 1.246 526 G CA -0.753 44.362 45.100 0.025 0.000 1.012 526 G HN 0.417 nan 8.290 nan 0.000 0.494 527 E N 0.203 120.541 120.200 0.230 0.000 2.102 527 E HA 0.459 4.814 4.350 0.007 0.000 0.263 527 E C 0.089 176.870 176.600 0.300 0.000 0.894 527 E CA -0.544 55.987 56.400 0.218 0.000 0.746 527 E CB 1.691 31.525 29.700 0.224 0.000 1.129 527 E HN 0.618 nan 8.360 nan 0.000 0.416 528 A N 4.108 127.061 122.820 0.220 0.000 2.567 528 A HA -0.063 4.261 4.320 0.007 0.000 0.240 528 A C 0.449 178.183 177.584 0.250 0.000 1.053 528 A CA 0.278 52.462 52.037 0.245 0.000 0.755 528 A CB 0.138 19.258 19.000 0.198 0.000 0.978 528 A HN 0.599 nan 8.150 nan 0.000 0.507 529 K N 3.201 123.717 120.400 0.193 0.000 2.416 529 K HA 0.194 4.518 4.320 0.007 0.000 0.283 529 K C -2.394 174.336 176.600 0.216 0.000 1.037 529 K CA -1.200 55.188 56.287 0.169 0.000 0.995 529 K CB 0.182 32.662 32.500 -0.033 0.000 0.938 529 K HN 0.385 nan 8.250 nan 0.000 0.475 530 P HA 0.029 nan 4.420 nan 0.000 0.268 530 P C 0.309 177.707 177.300 0.162 0.000 1.205 530 P CA 0.580 63.779 63.100 0.165 0.000 0.771 530 P CB 0.809 32.593 31.700 0.140 0.000 0.858 531 G N 1.361 110.242 108.800 0.136 0.000 2.212 531 G HA2 -0.307 3.658 3.960 0.007 0.000 0.266 531 G HA3 -0.307 3.658 3.960 0.007 0.000 0.266 531 G C -0.060 174.927 174.900 0.144 0.000 0.978 531 G CA 0.038 45.211 45.100 0.122 0.000 0.632 531 G HN 0.591 nan 8.290 nan 0.000 0.537 532 Y N 1.948 122.282 120.300 0.058 0.000 2.316 532 Y HA 0.626 5.180 4.550 0.007 0.000 0.331 532 Y C 0.005 175.926 175.900 0.036 0.000 1.083 532 Y CA -1.090 57.033 58.100 0.038 0.000 1.206 532 Y CB 1.155 39.611 38.460 -0.007 0.000 1.195 532 Y HN 0.047 nan 8.280 nan 0.000 0.497 533 E N 8.491 128.200 120.200 -0.819 0.000 2.092 533 E HA 0.321 4.675 4.350 0.007 0.000 0.271 533 E C -2.688 173.315 176.600 -0.996 0.000 0.919 533 E CA -2.507 53.516 56.400 -0.629 0.000 0.760 533 E CB 1.204 30.724 29.700 -0.299 0.000 1.106 533 E HN 0.509 nan 8.360 nan 0.000 0.408 534 P HA 0.020 nan 4.420 nan 0.000 0.264 534 P C -0.567 176.552 177.300 -0.301 0.000 1.183 534 P CA 0.398 63.232 63.100 -0.443 0.000 0.763 534 P CB 0.376 31.852 31.700 -0.373 0.000 0.807 535 R N 2.491 122.878 120.500 -0.188 0.000 2.799 535 R HA 0.700 5.045 4.340 0.007 0.000 0.270 535 R C -3.139 173.094 176.300 -0.113 0.000 1.010 535 R CA -2.698 53.339 56.100 -0.105 0.000 0.916 535 R CB 0.251 30.528 30.300 -0.038 0.000 1.228 535 R HN 0.071 nan 8.270 nan 0.000 0.469 536 P HA -0.013 nan 4.420 nan 0.000 0.265 536 P C 0.456 177.551 177.300 -0.340 0.000 1.193 536 P CA -0.223 62.664 63.100 -0.355 0.000 0.765 536 P CB 0.401 31.716 31.700 -0.642 0.000 0.823 537 I N 4.711 125.064 120.570 -0.362 0.000 2.208 537 I HA -0.299 3.876 4.170 0.007 0.000 0.245 537 I C 1.735 177.755 176.117 -0.162 0.000 1.097 537 I CA 1.709 62.817 61.300 -0.320 0.000 1.363 537 I CB -0.943 36.656 38.000 -0.668 0.000 1.051 537 I HN 0.395 nan 8.210 nan 0.000 0.413 538 Y N -0.021 120.339 120.300 0.100 0.000 2.333 538 Y HA -0.079 4.475 4.550 0.008 0.000 0.290 538 Y C 2.133 178.102 175.900 0.116 0.000 1.144 538 Y CA 1.220 59.393 58.100 0.121 0.000 1.228 538 Y CB -1.752 36.881 38.460 0.289 0.000 0.985 538 Y HN 0.276 nan 8.280 nan 0.000 0.542 539 E N 0.704 121.104 120.200 0.332 0.000 2.106 539 E HA -0.109 4.246 4.350 0.007 0.000 0.192 539 E C 2.256 178.961 176.600 0.174 0.000 0.984 539 E CA 1.378 57.990 56.400 0.353 0.000 0.806 539 E CB -0.154 29.707 29.700 0.269 0.000 0.750 539 E HN 0.401 nan 8.360 nan 0.000 0.458 540 V N 1.574 121.547 119.914 0.099 0.000 2.358 540 V HA -0.248 3.876 4.120 0.007 0.000 0.246 540 V C 2.317 178.432 176.094 0.036 0.000 1.047 540 V CA 1.406 63.753 62.300 0.078 0.000 1.035 540 V CB -0.448 31.431 31.823 0.093 0.000 0.658 540 V HN 0.255 nan 8.190 nan 0.000 0.452 541 L N 0.190 121.409 121.223 -0.007 0.000 2.046 541 L HA -0.169 4.176 4.340 0.007 0.000 0.208 541 L C 2.758 179.600 176.870 -0.047 0.000 1.077 541 L CA 1.672 56.494 54.840 -0.030 0.000 0.747 541 L CB -0.843 41.194 42.059 -0.038 0.000 0.896 541 L HN 0.363 nan 8.230 nan 0.000 0.432 542 A N -0.375 122.353 122.820 -0.154 0.000 1.902 542 A HA -0.257 4.067 4.320 0.007 0.000 0.217 542 A C 2.279 179.837 177.584 -0.044 0.000 1.181 542 A CA 1.819 53.710 52.037 -0.244 0.000 0.623 542 A CB -0.526 18.245 19.000 -0.381 0.000 0.818 542 A HN 0.479 nan 8.150 nan 0.000 0.443 543 E N -1.522 118.703 120.200 0.041 0.000 2.058 543 E HA -0.253 4.102 4.350 0.007 0.000 0.194 543 E C 1.859 178.486 176.600 0.044 0.000 0.997 543 E CA 1.630 58.063 56.400 0.055 0.000 0.801 543 E CB -0.326 29.413 29.700 0.066 0.000 0.746 543 E HN 0.717 nan 8.360 nan 0.000 0.450 544 Y N 1.204 121.460 120.300 -0.074 0.000 2.133 544 Y HA -0.182 4.372 4.550 0.007 0.000 0.287 544 Y C 2.017 177.867 175.900 -0.083 0.000 1.134 544 Y CA 1.680 59.728 58.100 -0.087 0.000 1.133 544 Y CB -0.431 37.961 38.460 -0.112 0.000 0.987 544 Y HN 0.007 nan 8.280 nan 0.000 0.502 545 L N -0.073 121.061 121.223 -0.149 0.000 2.012 545 L HA -0.259 4.085 4.340 0.007 0.000 0.210 545 L C 2.617 179.363 176.870 -0.206 0.000 1.073 545 L CA 1.779 56.476 54.840 -0.237 0.000 0.748 545 L CB -0.605 41.386 42.059 -0.113 0.000 0.891 545 L HN 0.162 nan 8.230 nan 0.000 0.431 546 R N -0.633 119.789 120.500 -0.130 0.000 2.091 546 R HA -0.179 4.165 4.340 0.007 0.000 0.238 546 R C 2.631 178.869 176.300 -0.102 0.000 1.136 546 R CA 1.679 57.730 56.100 -0.082 0.000 0.959 546 R CB -0.557 29.729 30.300 -0.024 0.000 0.856 546 R HN 0.273 nan 8.270 nan 0.000 0.437 547 S N 0.208 115.829 115.700 -0.132 0.000 2.345 547 S HA -0.102 4.372 4.470 0.007 0.000 0.220 547 S C 1.981 176.471 174.600 -0.182 0.000 1.031 547 S CA 1.326 59.446 58.200 -0.132 0.000 0.996 547 S CB -0.215 62.915 63.200 -0.116 0.000 0.882 547 S HN 0.210 nan 8.310 nan 0.000 0.445 548 V N 0.706 120.425 119.914 -0.325 0.000 2.667 548 V HA 0.131 4.256 4.120 0.007 0.000 0.252 548 V C 1.929 177.902 176.094 -0.202 0.000 1.065 548 V CA 1.949 64.057 62.300 -0.319 0.000 1.083 548 V CB -0.843 30.641 31.823 -0.565 0.000 0.692 548 V HN 0.851 nan 8.190 nan 0.000 0.468 549 G N 0.288 108.981 108.800 -0.178 0.000 2.609 549 G HA2 -0.338 3.626 3.960 0.007 0.000 0.235 549 G HA3 -0.338 3.626 3.960 0.007 0.000 0.235 549 G C 0.578 175.427 174.900 -0.085 0.000 1.177 549 G CA 0.607 45.644 45.100 -0.106 0.000 0.707 549 G HN 0.581 nan 8.290 nan 0.000 0.513 550 R N -0.526 119.919 120.500 -0.093 0.000 2.698 550 R HA 0.636 4.980 4.340 0.007 0.000 0.275 550 R C -0.581 175.680 176.300 -0.065 0.000 1.001 550 R CA -0.244 55.822 56.100 -0.057 0.000 0.896 550 R CB 2.938 33.217 30.300 -0.034 0.000 1.218 550 R HN 0.806 nan 8.270 nan 0.000 0.462 551 V N -1.151 118.744 119.914 -0.031 0.000 2.914 551 V HA 0.713 4.837 4.120 0.007 0.000 0.314 551 V C -0.633 175.465 176.094 0.007 0.000 1.084 551 V CA -1.013 61.280 62.300 -0.012 0.000 0.963 551 V CB 2.230 34.057 31.823 0.007 0.000 1.025 551 V HN 0.823 nan 8.190 nan 0.000 0.432 552 R N 2.133 122.640 120.500 0.012 0.000 2.797 552 R HA 0.564 4.909 4.340 0.007 0.000 0.274 552 R C -2.110 174.202 176.300 0.020 0.000 1.652 552 R CA -0.272 55.841 56.100 0.021 0.000 1.175 552 R CB 1.841 32.153 30.300 0.021 0.000 1.283 552 R HN 0.753 nan 8.270 nan 0.000 0.513 553 V N 5.564 125.486 119.914 0.014 0.000 2.270 553 V HA 0.372 4.496 4.120 0.007 0.000 0.263 553 V C 0.480 176.601 176.094 0.045 0.000 1.066 553 V CA -0.640 61.661 62.300 0.002 0.000 0.857 553 V CB 0.737 32.520 31.823 -0.066 0.000 1.099 553 V HN 0.550 nan 8.190 nan 0.000 0.476 554 R N 4.807 125.347 120.500 0.066 0.000 2.543 554 R HA 0.301 4.645 4.340 0.007 0.000 0.277 554 R C -2.471 173.915 176.300 0.144 0.000 1.074 554 R CA -1.533 54.624 56.100 0.096 0.000 1.076 554 R CB 0.321 30.666 30.300 0.074 0.000 0.993 554 R HN 0.370 nan 8.270 nan 0.000 0.459 555 P HA -0.013 nan 4.420 nan 0.000 0.270 555 P C -0.985 176.384 177.300 0.116 0.000 1.242 555 P CA 0.315 63.591 63.100 0.293 0.000 0.768 555 P CB 0.499 32.401 31.700 0.337 0.000 0.820 556 E N 4.488 124.692 120.200 0.007 0.000 3.386 556 E HA 0.262 4.617 4.350 0.007 0.000 0.236 556 E C -2.436 173.830 176.600 -0.557 0.000 1.227 556 E CA -2.380 53.922 56.400 -0.164 0.000 0.970 556 E CB 0.507 30.191 29.700 -0.027 0.000 1.343 556 E HN 0.245 nan 8.360 nan 0.000 0.397 557 P HA -0.030 nan 4.420 nan 0.000 0.265 557 P C -0.127 176.800 177.300 -0.622 0.000 1.187 557 P CA 0.159 62.567 63.100 -1.154 0.000 0.766 557 P CB 0.475 31.687 31.700 -0.813 0.000 0.820 558 N N 1.380 119.786 118.700 -0.490 0.000 2.238 558 N HA 0.092 4.836 4.740 0.007 0.000 0.222 558 N C -0.598 174.696 175.510 -0.361 0.000 1.133 558 N CA -0.097 52.782 53.050 -0.285 0.000 0.854 558 N CB 0.205 38.623 38.487 -0.115 0.000 1.041 558 N HN 0.235 nan 8.380 nan 0.000 0.510 559 V N -0.057 119.545 119.914 -0.520 0.000 2.709 559 V HA 0.432 4.557 4.120 0.007 0.000 0.308 559 V C -1.323 174.447 176.094 -0.540 0.000 1.062 559 V CA -0.871 61.027 62.300 -0.671 0.000 0.901 559 V CB 2.352 33.662 31.823 -0.854 0.000 1.003 559 V HN 0.019 nan 8.190 nan 0.000 0.425 560 K N 4.761 124.911 120.400 -0.417 0.000 2.235 560 K HA 0.653 4.978 4.320 0.007 0.000 0.266 560 K C -1.300 175.166 176.600 -0.223 0.000 0.980 560 K CA -0.628 55.499 56.287 -0.267 0.000 0.849 560 K CB 2.121 34.514 32.500 -0.180 0.000 1.098 560 K HN 0.537 nan 8.250 nan 0.000 0.445 561 V N 5.244 125.069 119.914 -0.147 0.000 2.328 561 V HA 0.201 4.326 4.120 0.007 0.000 0.278 561 V C 0.292 176.346 176.094 -0.067 0.000 1.021 561 V CA -0.965 61.275 62.300 -0.100 0.000 0.838 561 V CB 0.745 32.550 31.823 -0.032 0.000 0.999 561 V HN 0.625 nan 8.190 nan 0.000 0.447 562 I N 4.215 124.739 120.570 -0.075 0.000 2.618 562 I HA 0.258 4.432 4.170 0.007 0.000 0.284 562 I C 1.510 177.596 176.117 -0.052 0.000 1.146 562 I CA 1.140 62.406 61.300 -0.056 0.000 1.425 562 I CB -0.016 37.953 38.000 -0.051 0.000 1.383 562 I HN 0.965 nan 8.210 nan 0.000 0.562 563 G N 5.910 114.689 108.800 -0.035 0.000 2.162 563 G HA2 -0.229 3.735 3.960 0.007 0.000 0.260 563 G HA3 -0.229 3.735 3.960 0.007 0.000 0.260 563 G C 0.360 175.247 174.900 -0.022 0.000 0.976 563 G CA -0.136 44.946 45.100 -0.030 0.000 0.655 563 G HN 0.547 nan 8.290 nan 0.000 0.533 564 R N -0.685 119.806 120.500 -0.014 0.000 2.774 564 R HA 0.426 4.771 4.340 0.007 0.000 0.272 564 R C -1.071 175.243 176.300 0.024 0.000 1.000 564 R CA -1.078 55.024 56.100 0.004 0.000 0.906 564 R CB 0.718 31.023 30.300 0.008 0.000 1.227 564 R HN 0.098 nan 8.270 nan 0.000 0.468 565 N N 1.471 120.186 118.700 0.026 0.000 2.419 565 N HA 0.118 4.863 4.740 0.007 0.000 0.264 565 N C -0.973 174.562 175.510 0.041 0.000 1.031 565 N CA -0.181 52.890 53.050 0.035 0.000 0.951 565 N CB 0.688 39.186 38.487 0.019 0.000 1.101 565 N HN 0.405 nan 8.380 nan 0.000 0.488 566 Y N 3.486 123.770 120.300 -0.027 0.000 2.365 566 Y HA 0.216 4.771 4.550 0.008 0.000 0.340 566 Y C 0.104 175.987 175.900 -0.029 0.000 1.016 566 Y CA -0.338 57.743 58.100 -0.032 0.000 1.196 566 Y CB 0.407 38.833 38.460 -0.056 0.000 1.167 566 Y HN 0.239 nan 8.280 nan 0.000 0.509 567 R N 6.392 126.484 120.500 -0.680 0.000 2.598 567 R HA 0.598 4.942 4.340 0.007 0.000 0.279 567 R C -1.270 174.714 176.300 -0.527 0.000 0.984 567 R CA -0.886 54.957 56.100 -0.428 0.000 0.999 567 R CB 1.437 31.570 30.300 -0.280 0.000 1.114 567 R HN 0.791 nan 8.270 nan 0.000 0.493 568 L N 2.781 123.846 121.223 -0.264 0.000 2.388 568 L HA 0.546 4.891 4.340 0.007 0.000 0.264 568 L C -2.051 174.708 176.870 -0.184 0.000 0.998 568 L CA -1.952 52.774 54.840 -0.189 0.000 0.817 568 L CB 2.681 44.760 42.059 0.033 0.000 1.338 568 L HN 0.384 nan 8.230 nan 0.000 0.414 569 P HA 0.223 nan 4.420 nan 0.000 0.281 569 P C -1.271 176.070 177.300 0.067 0.000 1.281 569 P CA -0.584 62.497 63.100 -0.032 0.000 0.811 569 P CB 0.823 32.400 31.700 -0.206 0.000 1.154 570 E N 0.371 120.645 120.200 0.123 0.000 2.194 570 E HA 0.121 4.475 4.350 0.007 0.000 0.284 570 E C 0.802 177.477 176.600 0.125 0.000 1.035 570 E CA -0.315 56.151 56.400 0.111 0.000 0.836 570 E CB 1.119 30.880 29.700 0.101 0.000 1.070 570 E HN 0.248 nan 8.360 nan 0.000 0.401 571 V N 0.418 120.407 119.914 0.125 0.000 3.647 571 V HA 0.111 4.235 4.120 0.007 0.000 0.279 571 V C 0.688 176.850 176.094 0.112 0.000 1.314 571 V CA 0.368 62.755 62.300 0.146 0.000 1.125 571 V CB -0.301 31.629 31.823 0.178 0.000 0.907 571 V HN 0.535 nan 8.190 nan 0.000 0.434 572 T N -2.729 111.875 114.554 0.084 0.000 2.927 572 T HA 0.862 5.217 4.350 0.007 0.000 0.286 572 T C 0.316 175.040 174.700 0.041 0.000 1.040 572 T CA -0.045 62.090 62.100 0.057 0.000 1.010 572 T CB 1.605 70.499 68.868 0.044 0.000 1.177 572 T HN 1.856 nan 8.240 nan 0.000 0.546 573 G N 0.000 108.811 108.800 0.018 0.000 5.446 573 G HA2 0.000 3.964 3.960 0.007 0.000 0.244 573 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 573 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 573 G HN 0.000 nan 8.290 nan 0.000 0.925