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 2hi9_1_B DATA FIRST_RESID 27 DATA SEQUENCE RDFTFDLYRA LASAAPSQNI FFSPVSISMS LAMLSLGAGS STKMQILEGL DATA SEQUENCE GLXXXKSSEK ELHRGFQQLL QELNQPRDGF QLSLGNALFT DLVVDLQDTF DATA SEQUENCE VSAMKTLYLA DTFPTNFRDS AGAMKQINDY VAKQTKGKIV DLLKNLDSNA DATA SEQUENCE VVIMVNYIFF KAKWETSFNH KGTQEQDFYV TSETVVRVPM MSREDQYHYL DATA SEQUENCE LDRNLSCRVV GVPYQGNATA LFILPSEGKM QQVENGLSEK TLRKWLKMFK DATA SEQUENCE KRQLELYLPK FSIEGSYQLE KVLPSLGISN VFTSHADLSG ISNHSNIQVS DATA SEQUENCE EMVHKAVVEV DESGTRAAAA TGTIFTFXXX XLNSQRLVFN RPFLMFIVDN DATA SEQUENCE NILFLGKVNR P 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 27 R HA 0.000 nan 4.340 nan 0.000 0.208 27 R C 0.000 176.371 176.300 0.119 0.000 0.893 27 R CA 0.000 56.152 56.100 0.086 0.000 0.921 27 R CB 0.000 30.345 30.300 0.075 0.000 0.687 28 D N 2.245 122.737 120.400 0.154 0.000 2.443 28 D HA 0.247 4.886 4.640 -0.000 0.000 0.281 28 D C 1.019 177.460 176.300 0.235 0.000 1.210 28 D CA -0.887 53.245 54.000 0.220 0.000 0.875 28 D CB 0.102 41.060 40.800 0.264 0.000 1.125 28 D HN 0.312 nan 8.370 nan 0.000 0.503 29 F N 2.224 122.222 119.950 0.080 0.000 2.104 29 F HA -0.419 4.108 4.527 -0.000 0.000 0.289 29 F C 1.960 177.765 175.800 0.007 0.000 1.115 29 F CA 2.549 60.571 58.000 0.037 0.000 1.273 29 F CB -0.816 38.196 39.000 0.019 0.000 0.933 29 F HN 0.250 nan 8.300 nan 0.000 0.517 30 T N 0.615 115.054 114.554 -0.193 0.000 2.624 30 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 30 T C 1.729 176.152 174.700 -0.461 0.000 1.041 30 T CA 2.177 64.018 62.100 -0.432 0.000 1.159 30 T CB -0.755 67.822 68.868 -0.487 0.000 0.863 30 T HN 0.274 nan 8.240 nan 0.000 0.434 31 F N 1.245 121.197 119.950 0.003 0.000 2.367 31 F HA 0.076 4.603 4.527 -0.000 0.000 0.298 31 F C 2.179 178.006 175.800 0.045 0.000 1.094 31 F CA 0.376 58.410 58.000 0.057 0.000 1.409 31 F CB -0.378 38.644 39.000 0.036 0.000 1.064 31 F HN 0.083 nan 8.300 nan 0.000 0.528 32 D N -0.100 120.344 120.400 0.074 0.000 2.224 32 D HA -0.085 4.555 4.640 -0.000 0.000 0.205 32 D C 2.227 178.446 176.300 -0.135 0.000 0.965 32 D CA 0.603 54.608 54.000 0.008 0.000 0.852 32 D CB -0.310 40.496 40.800 0.010 0.000 0.947 32 D HN 0.163 nan 8.370 nan 0.000 0.494 33 L N -0.182 120.846 121.223 -0.326 0.000 2.072 33 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 33 L C 2.129 178.719 176.870 -0.466 0.000 1.079 33 L CA 1.429 55.956 54.840 -0.522 0.000 0.752 33 L CB -0.846 40.695 42.059 -0.864 0.000 0.906 33 L HN 0.030 nan 8.230 nan 0.000 0.436 34 Y N 0.663 120.782 120.300 -0.302 0.000 2.070 34 Y HA -0.298 4.252 4.550 -0.000 0.000 0.280 34 Y C 2.673 178.514 175.900 -0.098 0.000 1.148 34 Y CA 2.193 60.223 58.100 -0.116 0.000 1.125 34 Y CB -0.253 38.279 38.460 0.119 0.000 0.975 34 Y HN 0.134 nan 8.280 nan 0.000 0.492 35 R N 0.185 120.686 120.500 0.001 0.000 2.091 35 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 35 R C 2.524 178.719 176.300 -0.175 0.000 1.136 35 R CA 1.230 57.305 56.100 -0.042 0.000 0.959 35 R CB -0.780 29.580 30.300 0.101 0.000 0.856 35 R HN 0.489 nan 8.270 nan 0.000 0.437 36 A N 1.302 124.005 122.820 -0.195 0.000 1.902 36 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 36 A C 2.191 179.618 177.584 -0.261 0.000 1.181 36 A CA 1.171 53.089 52.037 -0.199 0.000 0.623 36 A CB -0.448 18.428 19.000 -0.208 0.000 0.818 36 A HN 0.170 nan 8.150 nan 0.000 0.443 37 L N -1.060 119.920 121.223 -0.405 0.000 2.044 37 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 37 L C 3.100 179.779 176.870 -0.318 0.000 1.075 37 L CA 0.990 55.572 54.840 -0.430 0.000 0.747 37 L CB -0.565 41.075 42.059 -0.699 0.000 0.903 37 L HN 0.418 nan 8.230 nan 0.000 0.435 38 A N -0.706 121.850 122.820 -0.439 0.000 1.972 38 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 38 A C 2.478 179.977 177.584 -0.142 0.000 1.169 38 A CA 2.023 53.878 52.037 -0.303 0.000 0.635 38 A CB -0.490 18.261 19.000 -0.414 0.000 0.810 38 A HN 0.375 nan 8.150 nan 0.000 0.446 39 S N -0.386 115.232 115.700 -0.136 0.000 2.387 39 S HA 0.066 4.536 4.470 -0.000 0.000 0.226 39 S C 2.159 176.725 174.600 -0.057 0.000 1.026 39 S CA 0.919 59.077 58.200 -0.069 0.000 0.972 39 S CB -0.279 62.886 63.200 -0.058 0.000 0.814 39 S HN 0.774 nan 8.310 nan 0.000 0.477 40 A N 0.409 123.183 122.820 -0.077 0.000 2.119 40 A HA 0.526 4.846 4.320 -0.000 0.000 0.217 40 A C 1.133 178.703 177.584 -0.023 0.000 1.153 40 A CA 0.960 52.967 52.037 -0.050 0.000 0.692 40 A CB -0.129 18.833 19.000 -0.063 0.000 0.799 40 A HN 0.440 nan 8.150 nan 0.000 0.458 41 A N 0.221 123.027 122.820 -0.023 0.000 3.266 41 A HA 0.602 4.922 4.320 -0.000 0.000 0.310 41 A C -3.005 174.583 177.584 0.008 0.000 1.066 41 A CA -1.226 50.815 52.037 0.007 0.000 0.839 41 A CB 0.222 19.247 19.000 0.041 0.000 1.192 41 A HN 0.127 nan 8.150 nan 0.000 0.496 42 P HA 0.207 nan 4.420 nan 0.000 0.269 42 P C 0.507 177.826 177.300 0.032 0.000 1.209 42 P CA 0.786 63.898 63.100 0.019 0.000 0.776 42 P CB 0.557 32.268 31.700 0.018 0.000 0.876 43 S N -0.550 115.177 115.700 0.046 0.000 3.614 43 S HA -0.207 4.263 4.470 -0.000 0.000 0.360 43 S C -0.156 174.476 174.600 0.052 0.000 1.023 43 S CA 0.841 59.074 58.200 0.055 0.000 1.114 43 S CB -1.963 61.267 63.200 0.048 0.000 0.907 43 S HN 0.619 nan 8.310 nan 0.000 0.470 44 Q N -0.205 119.628 119.800 0.055 0.000 2.456 44 Q HA 0.444 4.784 4.340 -0.000 0.000 0.284 44 Q C -0.659 175.383 176.000 0.070 0.000 1.061 44 Q CA -1.188 54.647 55.803 0.054 0.000 0.799 44 Q CB 0.947 29.716 28.738 0.052 0.000 1.445 44 Q HN 0.180 nan 8.270 nan 0.000 0.411 45 N N 0.840 119.579 118.700 0.064 0.000 2.453 45 N HA 0.277 5.017 4.740 -0.000 0.000 0.253 45 N C -0.790 174.824 175.510 0.173 0.000 1.252 45 N CA 0.416 53.518 53.050 0.086 0.000 0.917 45 N CB 0.505 39.021 38.487 0.048 0.000 1.117 45 N HN 0.379 nan 8.380 nan 0.000 0.442 46 I N 1.634 122.357 120.570 0.255 0.000 2.569 46 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 46 I C -1.086 175.362 176.117 0.551 0.000 1.088 46 I CA -0.468 61.054 61.300 0.371 0.000 1.047 46 I CB 1.112 39.251 38.000 0.230 0.000 1.237 46 I HN 0.361 nan 8.210 nan 0.000 0.421 47 F N 8.847 129.084 119.950 0.479 0.000 2.722 47 F HA 0.584 5.111 4.527 -0.000 0.000 0.336 47 F C -1.437 174.749 175.800 0.643 0.000 1.216 47 F CA -0.813 57.440 58.000 0.422 0.000 1.065 47 F CB 1.209 40.359 39.000 0.251 0.000 1.325 47 F HN 0.314 nan 8.300 nan 0.000 0.524 48 F N 2.163 122.028 119.950 -0.142 0.000 2.685 48 F HA 0.748 5.275 4.527 -0.000 0.000 0.315 48 F C -1.271 174.493 175.800 -0.059 0.000 1.126 48 F CA -1.518 56.553 58.000 0.117 0.000 0.950 48 F CB 1.340 40.387 39.000 0.079 0.000 1.360 48 F HN 0.221 nan 8.300 nan 0.000 0.469 49 S N 2.200 117.991 115.700 0.152 0.000 2.461 49 S HA 0.489 4.959 4.470 -0.000 0.000 0.322 49 S C -2.121 172.318 174.600 -0.269 0.000 1.063 49 S CA -1.546 56.483 58.200 -0.285 0.000 1.120 49 S CB 0.779 63.844 63.200 -0.225 0.000 0.968 49 S HN 0.505 nan 8.310 nan 0.000 0.467 50 P HA -0.143 nan 4.420 nan 0.000 0.213 50 P C 1.657 178.913 177.300 -0.073 0.000 1.170 50 P CA 0.692 63.681 63.100 -0.186 0.000 0.902 50 P CB 0.013 31.515 31.700 -0.331 0.000 0.789 51 V N -0.402 119.435 119.914 -0.127 0.000 2.332 51 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 51 V C 2.503 178.562 176.094 -0.058 0.000 1.055 51 V CA 2.729 65.013 62.300 -0.028 0.000 1.038 51 V CB -1.312 30.489 31.823 -0.037 0.000 0.651 51 V HN 0.173 nan 8.190 nan 0.000 0.450 52 S N -0.877 114.755 115.700 -0.113 0.000 2.382 52 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 52 S C 1.850 176.396 174.600 -0.090 0.000 1.027 52 S CA 1.953 60.106 58.200 -0.078 0.000 0.991 52 S CB -0.459 62.750 63.200 0.014 0.000 0.823 52 S HN 0.626 nan 8.310 nan 0.000 0.469 53 I N 1.651 122.155 120.570 -0.109 0.000 2.286 53 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 53 I C 2.703 178.796 176.117 -0.040 0.000 1.104 53 I CA 1.341 62.588 61.300 -0.088 0.000 1.397 53 I CB -0.441 37.513 38.000 -0.077 0.000 1.072 53 I HN 0.473 nan 8.210 nan 0.000 0.417 54 S N 0.825 116.519 115.700 -0.009 0.000 2.382 54 S HA -0.263 4.207 4.470 -0.000 0.000 0.228 54 S C 2.076 176.477 174.600 -0.331 0.000 1.027 54 S CA 1.143 59.297 58.200 -0.077 0.000 0.991 54 S CB -0.617 62.627 63.200 0.073 0.000 0.823 54 S HN 0.437 nan 8.310 nan 0.000 0.469 55 M N 1.859 121.142 119.600 -0.529 0.000 2.067 55 M HA -0.119 4.361 4.480 -0.000 0.000 0.260 55 M C 2.166 178.144 176.300 -0.536 0.000 1.069 55 M CA 1.939 56.699 55.300 -0.900 0.000 1.117 55 M CB -0.507 31.727 32.600 -0.609 0.000 1.334 55 M HN 0.365 nan 8.290 nan 0.000 0.407 56 S N 0.984 116.498 115.700 -0.309 0.000 2.383 56 S HA -0.149 4.321 4.470 -0.000 0.000 0.229 56 S C 1.752 176.225 174.600 -0.212 0.000 1.030 56 S CA 1.410 59.477 58.200 -0.221 0.000 1.002 56 S CB -0.536 62.624 63.200 -0.067 0.000 0.829 56 S HN 0.504 nan 8.310 nan 0.000 0.467 57 L N 0.674 121.785 121.223 -0.186 0.000 2.141 57 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 57 L C 2.688 179.451 176.870 -0.179 0.000 1.094 57 L CA 1.001 55.749 54.840 -0.154 0.000 0.763 57 L CB -0.562 41.402 42.059 -0.158 0.000 0.908 57 L HN 0.328 nan 8.230 nan 0.000 0.437 58 A N -0.280 122.390 122.820 -0.250 0.000 1.897 58 A HA -0.242 4.078 4.320 -0.000 0.000 0.215 58 A C 2.326 179.795 177.584 -0.191 0.000 1.181 58 A CA 1.546 53.468 52.037 -0.192 0.000 0.620 58 A CB -0.469 18.434 19.000 -0.162 0.000 0.821 58 A HN 0.388 nan 8.150 nan 0.000 0.443 59 M N -0.929 118.343 119.600 -0.546 0.000 2.080 59 M HA -0.179 4.301 4.480 -0.000 0.000 0.260 59 M C 2.033 178.264 176.300 -0.115 0.000 1.068 59 M CA 2.057 56.946 55.300 -0.685 0.000 1.109 59 M CB -0.223 31.811 32.600 -0.944 0.000 1.342 59 M HN 0.373 nan 8.290 nan 0.000 0.405 60 L N 0.546 121.713 121.223 -0.094 0.000 2.046 60 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 60 L C 2.694 179.574 176.870 0.016 0.000 1.077 60 L CA 2.405 57.243 54.840 -0.003 0.000 0.747 60 L CB -0.859 41.162 42.059 -0.064 0.000 0.896 60 L HN 0.592 nan 8.230 nan 0.000 0.432 61 S N -1.242 114.468 115.700 0.017 0.000 2.419 61 S HA -0.208 4.262 4.470 -0.000 0.000 0.235 61 S C 1.939 176.608 174.600 0.114 0.000 1.019 61 S CA 1.105 59.332 58.200 0.044 0.000 0.982 61 S CB -0.987 62.252 63.200 0.066 0.000 0.789 61 S HN 0.333 nan 8.310 nan 0.000 0.490 62 L N 1.848 123.211 121.223 0.233 0.000 2.551 62 L HA 0.202 4.542 4.340 -0.000 0.000 0.230 62 L C 1.728 178.735 176.870 0.227 0.000 1.163 62 L CA 1.228 56.223 54.840 0.258 0.000 0.826 62 L CB -0.733 41.529 42.059 0.338 0.000 0.943 62 L HN 0.574 nan 8.230 nan 0.000 0.452 63 G N -2.457 106.347 108.800 0.006 0.000 4.385 63 G HA2 0.515 4.475 3.960 -0.000 0.000 0.283 63 G HA3 0.515 4.475 3.960 -0.000 0.000 0.283 63 G C 0.014 174.752 174.900 -0.270 0.000 1.020 63 G CA 0.410 45.295 45.100 -0.358 0.000 0.790 63 G HN 0.401 nan 8.290 nan 0.000 0.420 64 A N -0.283 122.455 122.820 -0.136 0.000 2.337 64 A HA 0.964 5.284 4.320 -0.000 0.000 0.331 64 A C 0.356 177.895 177.584 -0.074 0.000 1.137 64 A CA -0.038 51.929 52.037 -0.117 0.000 0.807 64 A CB 1.627 20.562 19.000 -0.107 0.000 1.250 64 A HN 0.787 nan 8.150 nan 0.000 0.468 65 G N -0.795 107.963 108.800 -0.069 0.000 3.105 65 G HA2 0.688 4.648 3.960 -0.000 0.000 0.277 65 G HA3 0.688 4.648 3.960 -0.000 0.000 0.277 65 G C 0.414 175.290 174.900 -0.041 0.000 1.375 65 G CA 0.586 45.658 45.100 -0.047 0.000 0.962 65 G HN 2.332 nan 8.290 nan 0.000 0.541 66 S N -0.712 114.970 115.700 -0.030 0.000 3.645 66 S HA -0.377 4.093 4.470 -0.000 0.000 0.570 66 S C 2.141 176.725 174.600 -0.028 0.000 2.436 66 S CA 3.118 61.303 58.200 -0.026 0.000 4.077 66 S CB -1.726 61.459 63.200 -0.025 0.000 0.856 66 S HN 2.340 nan 8.310 nan 0.000 0.996 67 S N 0.038 115.722 115.700 -0.027 0.000 2.442 67 S HA -0.058 4.412 4.470 -0.000 0.000 0.236 67 S C 1.719 176.297 174.600 -0.037 0.000 1.007 67 S CA 1.658 59.842 58.200 -0.028 0.000 0.965 67 S CB -1.412 61.773 63.200 -0.025 0.000 0.773 67 S HN 0.852 nan 8.310 nan 0.000 0.504 68 T N 2.037 116.563 114.554 -0.046 0.000 2.770 68 T HA 0.020 4.370 4.350 -0.000 0.000 0.263 68 T C 1.754 176.408 174.700 -0.077 0.000 1.039 68 T CA 1.331 63.389 62.100 -0.070 0.000 1.142 68 T CB -0.254 68.564 68.868 -0.083 0.000 0.868 68 T HN 0.487 nan 8.240 nan 0.000 0.435 69 K N 0.530 120.894 120.400 -0.060 0.000 2.211 69 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 69 K C 2.321 178.897 176.600 -0.040 0.000 1.050 69 K CA 0.785 57.042 56.287 -0.049 0.000 0.945 69 K CB -0.164 32.319 32.500 -0.027 0.000 0.732 69 K HN 0.332 nan 8.250 nan 0.000 0.451 70 M N 0.667 120.246 119.600 -0.035 0.000 2.067 70 M HA -0.230 4.250 4.480 -0.000 0.000 0.260 70 M C 2.211 178.489 176.300 -0.036 0.000 1.069 70 M CA 1.815 57.098 55.300 -0.029 0.000 1.117 70 M CB -0.271 32.316 32.600 -0.023 0.000 1.334 70 M HN 0.192 nan 8.290 nan 0.000 0.407 71 Q N 0.262 120.037 119.800 -0.041 0.000 2.061 71 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 71 Q C 2.002 177.963 176.000 -0.065 0.000 0.984 71 Q CA 1.640 57.418 55.803 -0.041 0.000 0.846 71 Q CB -0.379 28.337 28.738 -0.037 0.000 0.902 71 Q HN 0.558 nan 8.270 nan 0.000 0.421 72 I N 0.771 121.289 120.570 -0.087 0.000 2.091 72 I HA -0.346 3.824 4.170 -0.000 0.000 0.239 72 I C 2.362 178.405 176.117 -0.125 0.000 1.061 72 I CA 1.363 62.592 61.300 -0.118 0.000 1.317 72 I CB -0.446 37.486 38.000 -0.113 0.000 1.031 72 I HN 0.215 nan 8.210 nan 0.000 0.401 73 L N 0.612 121.789 121.223 -0.078 0.000 2.012 73 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 73 L C 3.182 180.010 176.870 -0.070 0.000 1.073 73 L CA 2.009 56.812 54.840 -0.062 0.000 0.748 73 L CB -1.262 40.783 42.059 -0.024 0.000 0.891 73 L HN 0.374 nan 8.230 nan 0.000 0.431 74 E N 0.537 120.704 120.200 -0.054 0.000 2.110 74 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 74 E C 2.213 178.780 176.600 -0.055 0.000 0.988 74 E CA 1.386 57.763 56.400 -0.038 0.000 0.804 74 E CB -1.396 28.291 29.700 -0.021 0.000 0.745 74 E HN 0.612 nan 8.360 nan 0.000 0.458 75 G N 0.420 109.160 108.800 -0.100 0.000 2.404 75 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.215 75 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.215 75 G C 1.870 176.563 174.900 -0.344 0.000 1.174 75 G CA 0.980 45.985 45.100 -0.159 0.000 0.780 75 G HN 0.450 nan 8.290 nan 0.000 0.537 76 L N 0.180 121.173 121.223 -0.384 0.000 2.042 76 L HA 0.090 4.430 4.340 -0.000 0.000 0.210 76 L C 2.145 178.928 176.870 -0.144 0.000 1.076 76 L CA 1.298 55.915 54.840 -0.373 0.000 0.749 76 L CB -0.283 41.653 42.059 -0.205 0.000 0.893 76 L HN 0.489 nan 8.230 nan 0.000 0.432 77 G N -1.047 107.707 108.800 -0.076 0.000 2.157 77 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.118 77 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.118 77 G C -0.336 174.555 174.900 -0.015 0.000 1.032 77 G CA -0.312 44.780 45.100 -0.013 0.000 0.697 77 G HN 0.053 nan 8.290 nan 0.000 0.495 83 S N -2.262 113.449 115.700 0.019 0.000 1.799 83 S HA -0.264 4.206 4.470 -0.000 0.000 0.230 83 S C 1.832 176.446 174.600 0.023 0.000 0.932 83 S CA 3.218 61.429 58.200 0.018 0.000 1.516 83 S CB -1.903 61.303 63.200 0.010 0.000 1.962 83 S HN 2.637 nan 8.310 nan 0.000 0.542 84 S N 1.412 117.124 115.700 0.019 0.000 2.720 84 S HA 0.232 4.702 4.470 -0.000 0.000 0.222 84 S C 1.122 175.744 174.600 0.037 0.000 0.958 84 S CA 1.225 59.435 58.200 0.018 0.000 0.943 84 S CB -0.858 62.345 63.200 0.004 0.000 0.779 84 S HN 1.006 nan 8.310 nan 0.000 0.526 85 E N 0.714 120.951 120.200 0.063 0.000 2.209 85 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 85 E C 1.940 178.656 176.600 0.193 0.000 0.993 85 E CA 1.324 57.800 56.400 0.127 0.000 0.819 85 E CB -0.809 28.988 29.700 0.162 0.000 0.745 85 E HN 0.471 nan 8.360 nan 0.000 0.477 86 K N 0.689 121.156 120.400 0.111 0.000 2.218 86 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 86 K C 2.127 178.781 176.600 0.091 0.000 1.046 86 K CA 2.136 58.475 56.287 0.086 0.000 0.933 86 K CB -1.483 31.036 32.500 0.032 0.000 0.728 86 K HN 0.616 nan 8.250 nan 0.000 0.454 87 E N 0.369 120.606 120.200 0.062 0.000 2.190 87 E HA 0.231 4.581 4.350 -0.000 0.000 0.191 87 E C 1.956 178.555 176.600 -0.002 0.000 0.978 87 E CA 0.681 57.092 56.400 0.018 0.000 0.839 87 E CB -0.433 29.260 29.700 -0.011 0.000 0.787 87 E HN 0.543 nan 8.360 nan 0.000 0.473 88 L N -0.105 121.132 121.223 0.023 0.000 1.990 88 L HA -0.270 4.070 4.340 -0.000 0.000 0.213 88 L C 2.647 179.477 176.870 -0.066 0.000 1.072 88 L CA 2.442 57.240 54.840 -0.070 0.000 0.755 88 L CB -0.258 41.789 42.059 -0.021 0.000 0.889 88 L HN 0.493 nan 8.230 nan 0.000 0.432 89 H N -0.744 118.381 119.070 0.092 0.000 2.428 89 H HA -0.032 4.524 4.556 -0.000 0.000 0.296 89 H C 2.305 177.609 175.328 -0.039 0.000 1.062 89 H CA 1.183 57.303 56.048 0.121 0.000 1.350 89 H CB 0.017 29.860 29.762 0.134 0.000 1.403 89 H HN 0.273 nan 8.280 nan 0.000 0.533 90 R N -0.072 120.470 120.500 0.069 0.000 2.115 90 R HA -0.040 4.300 4.340 -0.000 0.000 0.230 90 R C 2.416 178.681 176.300 -0.059 0.000 1.111 90 R CA 0.921 57.016 56.100 -0.010 0.000 0.976 90 R CB -0.304 29.991 30.300 -0.009 0.000 0.870 90 R HN 0.381 nan 8.270 nan 0.000 0.445 91 G N 0.890 109.623 108.800 -0.112 0.000 2.414 91 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.215 91 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.215 91 G C 1.052 175.849 174.900 -0.173 0.000 1.188 91 G CA 0.406 45.389 45.100 -0.196 0.000 0.783 91 G HN 0.109 nan 8.290 nan 0.000 0.537 92 F N 1.088 120.982 119.950 -0.094 0.000 2.126 92 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 92 F C 2.889 178.580 175.800 -0.183 0.000 1.096 92 F CA 1.457 59.390 58.000 -0.112 0.000 1.255 92 F CB -0.794 38.159 39.000 -0.078 0.000 0.997 92 F HN 0.241 nan 8.300 nan 0.000 0.479 93 Q N -0.166 119.582 119.800 -0.086 0.000 2.112 93 Q HA -0.269 4.070 4.340 -0.000 0.000 0.206 93 Q C 2.335 178.303 176.000 -0.053 0.000 0.987 93 Q CA 1.662 57.376 55.803 -0.149 0.000 0.858 93 Q CB -0.216 28.426 28.738 -0.159 0.000 0.905 93 Q HN 0.287 nan 8.270 nan 0.000 0.420 94 Q N 0.223 120.001 119.800 -0.037 0.000 2.084 94 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 94 Q C 2.109 178.111 176.000 0.004 0.000 0.978 94 Q CA 1.130 56.920 55.803 -0.021 0.000 0.844 94 Q CB -0.359 28.360 28.738 -0.033 0.000 0.898 94 Q HN 0.430 nan 8.270 nan 0.000 0.426 95 L N 0.372 121.610 121.223 0.025 0.000 2.046 95 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 95 L C 2.192 179.104 176.870 0.070 0.000 1.077 95 L CA 1.454 56.330 54.840 0.060 0.000 0.747 95 L CB -0.736 41.394 42.059 0.118 0.000 0.896 95 L HN 0.195 nan 8.230 nan 0.000 0.432 96 L N -1.059 120.203 121.223 0.065 0.000 2.017 96 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 96 L C 2.653 179.552 176.870 0.048 0.000 1.073 96 L CA 1.526 56.401 54.840 0.057 0.000 0.745 96 L CB -0.525 41.556 42.059 0.036 0.000 0.894 96 L HN 0.394 nan 8.230 nan 0.000 0.432 97 Q N -0.302 119.515 119.800 0.029 0.000 2.135 97 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 97 Q C 2.052 178.075 176.000 0.039 0.000 0.981 97 Q CA 1.646 57.465 55.803 0.028 0.000 0.856 97 Q CB -0.076 28.669 28.738 0.012 0.000 0.902 97 Q HN 0.573 nan 8.270 nan 0.000 0.425 98 E N 0.154 120.379 120.200 0.042 0.000 2.028 98 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 98 E C 1.954 178.601 176.600 0.078 0.000 0.988 98 E CA 0.796 57.226 56.400 0.050 0.000 0.799 98 E CB -0.003 29.722 29.700 0.041 0.000 0.755 98 E HN 0.139 nan 8.360 nan 0.000 0.447 99 L N 1.711 122.991 121.223 0.095 0.000 1.989 99 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 99 L C 1.770 178.712 176.870 0.120 0.000 1.071 99 L CA 1.545 56.465 54.840 0.134 0.000 0.749 99 L CB -0.777 41.359 42.059 0.129 0.000 0.890 99 L HN 0.122 nan 8.230 nan 0.000 0.431 100 N N 0.260 119.016 118.700 0.093 0.000 2.609 100 N HA -0.066 4.674 4.740 -0.000 0.000 0.190 100 N C 0.713 176.267 175.510 0.073 0.000 1.157 100 N CA 0.625 53.725 53.050 0.084 0.000 0.918 100 N CB -0.290 38.240 38.487 0.071 0.000 0.978 100 N HN 0.589 nan 8.380 nan 0.000 0.448 101 Q N 1.469 121.313 119.800 0.074 0.000 2.360 101 Q HA 0.341 4.681 4.340 -0.000 0.000 0.254 101 Q C -2.543 173.499 176.000 0.072 0.000 0.975 101 Q CA -1.950 53.889 55.803 0.061 0.000 0.912 101 Q CB 0.088 28.857 28.738 0.051 0.000 1.212 101 Q HN 0.063 nan 8.270 nan 0.000 0.452 102 P HA -0.009 nan 4.420 nan 0.000 0.250 102 P C -0.141 177.196 177.300 0.063 0.000 1.161 102 P CA 0.371 63.508 63.100 0.061 0.000 0.863 102 P CB 0.064 31.791 31.700 0.044 0.000 0.827 103 R N 1.669 122.221 120.500 0.087 0.000 2.791 103 R HA 0.239 4.578 4.340 -0.000 0.000 0.357 103 R C -0.236 176.118 176.300 0.089 0.000 1.173 103 R CA -0.717 55.432 56.100 0.083 0.000 1.060 103 R CB -0.680 29.675 30.300 0.090 0.000 1.406 103 R HN 0.094 nan 8.270 nan 0.000 0.580 104 D N 1.187 121.627 120.400 0.066 0.000 4.807 104 D HA -0.170 4.470 4.640 -0.000 0.000 0.089 104 D C 1.139 177.477 176.300 0.063 0.000 0.920 104 D CA 2.646 56.675 54.000 0.049 0.000 0.535 104 D CB -0.046 40.775 40.800 0.035 0.000 1.119 104 D HN 0.722 nan 8.370 nan 0.000 0.589 105 G N 2.497 111.322 108.800 0.042 0.000 2.176 105 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.232 105 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.232 105 G C 0.359 175.317 174.900 0.097 0.000 0.986 105 G CA 0.127 45.258 45.100 0.052 0.000 0.643 105 G HN 1.045 nan 8.290 nan 0.000 0.522 106 F N 0.551 120.420 119.950 -0.136 0.000 3.271 106 F HA 0.533 5.060 4.527 -0.000 0.000 0.432 106 F C -0.624 175.083 175.800 -0.154 0.000 1.038 106 F CA -0.704 57.172 58.000 -0.207 0.000 1.301 106 F CB 0.604 39.560 39.000 -0.074 0.000 2.756 106 F HN 0.063 nan 8.300 nan 0.000 0.651 107 Q N 3.394 123.048 119.800 -0.244 0.000 2.331 107 Q HA 0.539 4.879 4.340 -0.000 0.000 0.257 107 Q C -1.619 174.270 176.000 -0.185 0.000 0.957 107 Q CA -0.453 55.286 55.803 -0.107 0.000 0.923 107 Q CB 1.367 30.077 28.738 -0.047 0.000 1.212 107 Q HN 0.617 nan 8.270 nan 0.000 0.443 108 L N 2.705 123.928 121.223 -0.001 0.000 2.307 108 L HA 0.612 4.952 4.340 -0.000 0.000 0.282 108 L C -0.916 176.049 176.870 0.159 0.000 1.051 108 L CA 0.264 55.171 54.840 0.112 0.000 0.804 108 L CB 1.906 44.103 42.059 0.229 0.000 1.197 108 L HN 0.571 nan 8.230 nan 0.000 0.431 109 S N 5.932 121.766 115.700 0.222 0.000 2.667 109 S HA 0.558 5.028 4.470 -0.000 0.000 0.304 109 S C -0.564 174.179 174.600 0.239 0.000 1.135 109 S CA -0.405 57.935 58.200 0.233 0.000 1.125 109 S CB 0.576 63.948 63.200 0.287 0.000 0.996 109 S HN 0.615 nan 8.310 nan 0.000 0.474 110 L N 3.023 124.338 121.223 0.155 0.000 2.334 110 L HA 0.935 5.275 4.340 -0.000 0.000 0.272 110 L C 0.196 177.036 176.870 -0.049 0.000 1.020 110 L CA -0.254 54.626 54.840 0.067 0.000 0.812 110 L CB 1.613 43.703 42.059 0.051 0.000 1.264 110 L HN 0.729 nan 8.230 nan 0.000 0.439 111 G N 2.399 110.973 108.800 -0.377 0.000 2.742 111 G HA2 0.415 4.375 3.960 -0.000 0.000 0.296 111 G HA3 0.415 4.375 3.960 -0.000 0.000 0.296 111 G C -1.974 172.491 174.900 -0.725 0.000 1.436 111 G CA -0.516 44.185 45.100 -0.665 0.000 0.928 111 G HN 0.501 nan 8.290 nan 0.000 0.520 112 N N -0.660 117.909 118.700 -0.219 0.000 2.284 112 N HA 0.819 5.559 4.740 -0.000 0.000 0.289 112 N C -0.955 174.655 175.510 0.166 0.000 1.179 112 N CA -0.298 52.734 53.050 -0.031 0.000 0.774 112 N CB 2.600 41.072 38.487 -0.024 0.000 1.548 112 N HN 1.087 nan 8.380 nan 0.000 0.473 113 A N 1.173 124.116 122.820 0.205 0.000 2.583 113 A HA 0.528 4.847 4.320 -0.000 0.000 0.298 113 A C -1.874 175.783 177.584 0.121 0.000 1.055 113 A CA -0.567 51.560 52.037 0.150 0.000 0.714 113 A CB 0.863 20.064 19.000 0.335 0.000 1.277 113 A HN 0.472 nan 8.150 nan 0.000 0.406 114 L N 1.285 122.449 121.223 -0.098 0.000 2.346 114 L HA 0.720 5.060 4.340 -0.000 0.000 0.276 114 L C -1.430 175.338 176.870 -0.171 0.000 1.006 114 L CA -0.478 54.377 54.840 0.024 0.000 0.817 114 L CB 1.829 43.920 42.059 0.053 0.000 1.272 114 L HN 0.691 nan 8.230 nan 0.000 0.421 115 F N 0.519 120.611 119.950 0.236 0.000 2.477 115 F HA 0.468 4.995 4.527 -0.000 0.000 0.335 115 F C 0.382 176.380 175.800 0.329 0.000 1.130 115 F CA -0.710 57.438 58.000 0.248 0.000 0.948 115 F CB 2.204 41.365 39.000 0.269 0.000 1.154 115 F HN 0.296 nan 8.300 nan 0.000 0.439 116 T N -0.735 114.000 114.554 0.302 0.000 2.829 116 T HA 0.382 4.732 4.350 -0.000 0.000 0.280 116 T C -0.615 174.200 174.700 0.192 0.000 0.999 116 T CA -0.962 61.310 62.100 0.286 0.000 0.983 116 T CB 1.795 70.750 68.868 0.145 0.000 0.968 116 T HN 0.432 nan 8.240 nan 0.000 0.446 117 D N 0.980 121.568 120.400 0.313 0.000 2.419 117 D HA 0.049 4.689 4.640 -0.000 0.000 0.236 117 D C 1.227 177.549 176.300 0.037 0.000 1.165 117 D CA -0.567 53.553 54.000 0.200 0.000 0.882 117 D CB 0.495 41.478 40.800 0.304 0.000 1.201 117 D HN 0.320 nan 8.370 nan 0.000 0.443 118 L N 3.228 124.446 121.223 -0.008 0.000 2.089 118 L HA -0.138 4.202 4.340 -0.000 0.000 0.213 118 L C 2.261 179.099 176.870 -0.053 0.000 1.079 118 L CA 1.216 56.038 54.840 -0.030 0.000 0.758 118 L CB -0.815 41.228 42.059 -0.027 0.000 0.891 118 L HN 0.513 nan 8.230 nan 0.000 0.433 119 V N -0.933 118.932 119.914 -0.081 0.000 3.217 119 V HA 0.002 4.122 4.120 -0.000 0.000 0.264 119 V C 0.919 176.795 176.094 -0.364 0.000 1.135 119 V CA 0.248 62.432 62.300 -0.194 0.000 1.142 119 V CB 0.361 32.062 31.823 -0.204 0.000 0.754 119 V HN 0.111 nan 8.190 nan 0.000 0.484 120 V N 2.127 121.898 119.914 -0.238 0.000 2.353 120 V HA 0.319 4.439 4.120 -0.000 0.000 0.264 120 V C -0.329 175.718 176.094 -0.079 0.000 1.049 120 V CA -0.835 61.346 62.300 -0.198 0.000 0.896 120 V CB 0.555 32.349 31.823 -0.047 0.000 1.025 120 V HN 0.411 nan 8.190 nan 0.000 0.475 121 D N 7.039 127.400 120.400 -0.064 0.000 2.383 121 D HA 0.224 4.864 4.640 -0.000 0.000 0.252 121 D C 0.006 176.312 176.300 0.010 0.000 1.166 121 D CA 0.269 54.259 54.000 -0.017 0.000 0.879 121 D CB 1.522 42.320 40.800 -0.004 0.000 1.164 121 D HN 0.504 nan 8.370 nan 0.000 0.462 122 L N 2.558 123.792 121.223 0.020 0.000 2.305 122 L HA 0.119 4.459 4.340 -0.000 0.000 0.281 122 L C 0.865 177.770 176.870 0.058 0.000 1.085 122 L CA -0.716 54.155 54.840 0.053 0.000 0.813 122 L CB 0.723 42.814 42.059 0.053 0.000 1.157 122 L HN 0.068 nan 8.230 nan 0.000 0.436 123 Q N 2.495 122.349 119.800 0.090 0.000 2.296 123 Q HA 0.041 4.381 4.340 -0.000 0.000 0.262 123 Q C 0.442 176.498 176.000 0.094 0.000 0.981 123 Q CA 0.010 55.863 55.803 0.083 0.000 0.905 123 Q CB 1.394 30.184 28.738 0.087 0.000 1.186 123 Q HN 0.549 nan 8.270 nan 0.000 0.399 124 D N 1.301 121.729 120.400 0.046 0.000 2.218 124 D HA -0.137 4.503 4.640 -0.000 0.000 0.204 124 D C 1.510 177.823 176.300 0.020 0.000 0.976 124 D CA 1.859 55.871 54.000 0.020 0.000 0.853 124 D CB 0.307 41.111 40.800 0.005 0.000 0.939 124 D HN 0.656 nan 8.370 nan 0.000 0.481 125 T N -1.132 113.450 114.554 0.047 0.000 2.867 125 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 125 T C 1.871 176.615 174.700 0.074 0.000 1.057 125 T CA 0.426 62.553 62.100 0.045 0.000 1.136 125 T CB -0.489 68.410 68.868 0.051 0.000 0.874 125 T HN 0.052 nan 8.240 nan 0.000 0.466 126 F N 2.169 122.101 119.950 -0.029 0.000 2.219 126 F HA 0.191 4.718 4.527 -0.000 0.000 0.294 126 F C 2.179 177.958 175.800 -0.035 0.000 1.086 126 F CA 0.154 58.135 58.000 -0.030 0.000 1.330 126 F CB -0.446 38.535 39.000 -0.031 0.000 1.047 126 F HN -0.017 nan 8.300 nan 0.000 0.495 127 V N -0.447 119.372 119.914 -0.159 0.000 2.343 127 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 127 V C 2.501 178.451 176.094 -0.240 0.000 1.051 127 V CA 2.087 64.232 62.300 -0.257 0.000 1.036 127 V CB -1.187 30.566 31.823 -0.116 0.000 0.654 127 V HN 0.335 nan 8.190 nan 0.000 0.451 128 S N 0.078 115.691 115.700 -0.144 0.000 2.368 128 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 128 S C 2.261 176.791 174.600 -0.118 0.000 1.029 128 S CA 1.353 59.489 58.200 -0.108 0.000 0.988 128 S CB -0.485 62.678 63.200 -0.061 0.000 0.838 128 S HN 0.651 nan 8.310 nan 0.000 0.462 129 A N 1.261 123.999 122.820 -0.138 0.000 1.883 129 A HA -0.168 4.151 4.320 -0.000 0.000 0.217 129 A C 2.120 179.647 177.584 -0.095 0.000 1.186 129 A CA 1.895 53.869 52.037 -0.104 0.000 0.624 129 A CB -0.674 18.270 19.000 -0.094 0.000 0.822 129 A HN 0.417 nan 8.150 nan 0.000 0.444 130 M N -0.384 119.062 119.600 -0.257 0.000 2.082 130 M HA -0.175 4.305 4.480 -0.000 0.000 0.258 130 M C 2.109 178.368 176.300 -0.069 0.000 1.071 130 M CA 1.847 57.026 55.300 -0.201 0.000 1.103 130 M CB -0.303 32.045 32.600 -0.420 0.000 1.307 130 M HN 0.222 nan 8.290 nan 0.000 0.409 131 K N -0.902 119.427 120.400 -0.118 0.000 2.032 131 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 131 K C 2.001 178.579 176.600 -0.036 0.000 1.048 131 K CA 2.055 58.298 56.287 -0.072 0.000 0.927 131 K CB -0.779 31.667 32.500 -0.090 0.000 0.712 131 K HN 0.445 nan 8.250 nan 0.000 0.441 132 T N 2.030 116.558 114.554 -0.044 0.000 2.668 132 T HA -0.056 4.294 4.350 -0.000 0.000 0.262 132 T C 2.106 176.777 174.700 -0.047 0.000 1.045 132 T CA 1.104 63.181 62.100 -0.038 0.000 1.152 132 T CB -0.206 68.637 68.868 -0.042 0.000 0.864 132 T HN 0.090 nan 8.240 nan 0.000 0.419 133 L N -1.037 120.154 121.223 -0.052 0.000 2.095 133 L HA 0.031 4.371 4.340 -0.000 0.000 0.204 133 L C 1.834 178.507 176.870 -0.327 0.000 1.080 133 L CA 1.364 56.100 54.840 -0.173 0.000 0.759 133 L CB -0.283 41.686 42.059 -0.151 0.000 0.914 133 L HN 0.311 nan 8.230 nan 0.000 0.439 134 Y N -1.566 118.732 120.300 -0.004 0.000 2.481 134 Y HA 0.257 4.807 4.550 -0.000 0.000 0.247 134 Y C 0.345 176.232 175.900 -0.022 0.000 1.151 134 Y CA -0.749 57.344 58.100 -0.012 0.000 1.238 134 Y CB 0.484 38.923 38.460 -0.035 0.000 1.179 134 Y HN -0.132 nan 8.280 nan 0.000 0.524 135 L N -0.572 120.696 121.223 0.075 0.000 3.839 135 L HA -0.260 4.080 4.340 -0.000 0.000 0.416 135 L C 0.207 177.113 176.870 0.060 0.000 1.195 135 L CA 0.750 55.621 54.840 0.051 0.000 0.946 135 L CB -2.240 39.852 42.059 0.055 0.000 1.891 135 L HN 0.217 nan 8.230 nan 0.000 0.963 136 A N -1.078 121.761 122.820 0.033 0.000 2.331 136 A HA 0.716 5.036 4.320 -0.000 0.000 0.320 136 A C 0.181 177.687 177.584 -0.131 0.000 1.138 136 A CA -0.718 51.317 52.037 -0.003 0.000 0.790 136 A CB 0.955 19.950 19.000 -0.008 0.000 1.206 136 A HN 0.188 nan 8.150 nan 0.000 0.470 137 D N 1.033 121.316 120.400 -0.195 0.000 2.348 137 D HA 0.518 5.158 4.640 -0.000 0.000 0.249 137 D C -0.430 175.436 176.300 -0.723 0.000 1.110 137 D CA 0.392 54.077 54.000 -0.524 0.000 0.967 137 D CB 1.413 41.750 40.800 -0.771 0.000 1.139 137 D HN 0.385 nan 8.370 nan 0.000 0.466 138 T N 1.059 115.098 114.554 -0.860 0.000 2.847 138 T HA 0.425 4.775 4.350 -0.000 0.000 0.291 138 T C -0.677 173.548 174.700 -0.792 0.000 0.998 138 T CA -0.517 61.198 62.100 -0.642 0.000 0.967 138 T CB 0.214 68.900 68.868 -0.303 0.000 0.954 138 T HN 0.081 nan 8.240 nan 0.000 0.441 139 F N 3.673 123.353 119.950 -0.449 0.000 2.426 139 F HA 0.457 4.984 4.527 -0.000 0.000 0.348 139 F C -2.283 173.414 175.800 -0.172 0.000 1.124 139 F CA -2.725 55.071 58.000 -0.340 0.000 1.008 139 F CB 1.261 39.971 39.000 -0.485 0.000 1.139 139 F HN 0.277 nan 8.300 nan 0.000 0.452 140 P HA 0.227 nan 4.420 nan 0.000 0.269 140 P C -0.717 176.582 177.300 -0.001 0.000 1.215 140 P CA 0.104 63.217 63.100 0.020 0.000 0.780 140 P CB 0.761 32.465 31.700 0.007 0.000 0.898 141 T N 1.311 115.793 114.554 -0.119 0.000 2.982 141 T HA 0.239 4.589 4.350 -0.000 0.000 0.321 141 T C -0.747 173.742 174.700 -0.352 0.000 1.229 141 T CA -0.543 61.379 62.100 -0.297 0.000 1.044 141 T CB 0.816 69.305 68.868 -0.631 0.000 1.184 141 T HN 0.198 nan 8.240 nan 0.000 0.477 142 N N 1.933 120.478 118.700 -0.258 0.000 2.719 142 N HA 0.206 4.946 4.740 -0.000 0.000 0.243 142 N C 0.174 175.615 175.510 -0.115 0.000 1.104 142 N CA -0.920 52.048 53.050 -0.135 0.000 0.981 142 N CB -0.441 38.007 38.487 -0.065 0.000 1.290 142 N HN 0.442 nan 8.380 nan 0.000 0.513 143 F N 1.346 121.314 119.950 0.029 0.000 2.641 143 F HA 0.049 4.576 4.527 -0.000 0.000 0.298 143 F C 1.892 177.699 175.800 0.012 0.000 1.146 143 F CA 0.398 58.411 58.000 0.021 0.000 1.464 143 F CB 0.189 39.208 39.000 0.032 0.000 1.101 143 F HN 0.371 nan 8.300 nan 0.000 0.585 144 R N -0.303 120.293 120.500 0.161 0.000 2.235 144 R HA -0.073 4.267 4.340 -0.000 0.000 0.213 144 R C 0.246 176.589 176.300 0.072 0.000 1.059 144 R CA 0.614 56.774 56.100 0.101 0.000 0.997 144 R CB -0.834 29.506 30.300 0.065 0.000 0.884 144 R HN 0.223 nan 8.270 nan 0.000 0.462 145 D N 0.387 120.825 120.400 0.063 0.000 2.540 145 D HA 0.145 4.785 4.640 -0.000 0.000 0.251 145 D C 0.518 176.850 176.300 0.053 0.000 1.159 145 D CA -0.092 53.930 54.000 0.037 0.000 0.974 145 D CB 0.637 41.441 40.800 0.007 0.000 0.996 145 D HN -0.242 nan 8.370 nan 0.000 0.512 146 S N 1.412 117.155 115.700 0.071 0.000 2.372 146 S HA -0.251 4.219 4.470 -0.000 0.000 0.227 146 S C 1.940 176.567 174.600 0.044 0.000 1.044 146 S CA 1.600 59.847 58.200 0.078 0.000 1.050 146 S CB -0.110 63.121 63.200 0.052 0.000 0.901 146 S HN 0.666 nan 8.310 nan 0.000 0.447 147 A N 0.764 123.595 122.820 0.019 0.000 1.898 147 A HA 0.109 4.428 4.320 -0.000 0.000 0.216 147 A C 2.304 179.883 177.584 -0.009 0.000 1.181 147 A CA 1.780 53.818 52.037 0.002 0.000 0.620 147 A CB -1.359 17.639 19.000 -0.003 0.000 0.819 147 A HN 0.557 nan 8.150 nan 0.000 0.442 148 G N -0.453 108.341 108.800 -0.010 0.000 2.404 148 G HA2 0.022 3.982 3.960 -0.000 0.000 0.215 148 G HA3 0.022 3.982 3.960 -0.000 0.000 0.215 148 G C 1.772 176.644 174.900 -0.047 0.000 1.174 148 G CA 1.438 46.521 45.100 -0.028 0.000 0.780 148 G HN 0.774 nan 8.290 nan 0.000 0.537 149 A N 0.503 123.300 122.820 -0.039 0.000 1.908 149 A HA -0.047 4.272 4.320 -0.000 0.000 0.218 149 A C 2.377 179.914 177.584 -0.079 0.000 1.181 149 A CA 2.043 54.034 52.037 -0.076 0.000 0.627 149 A CB -0.429 18.581 19.000 0.016 0.000 0.818 149 A HN 0.408 nan 8.150 nan 0.000 0.445 150 M N -0.761 118.822 119.600 -0.028 0.000 2.117 150 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 150 M C 2.198 178.446 176.300 -0.087 0.000 1.065 150 M CA 2.271 57.539 55.300 -0.054 0.000 1.114 150 M CB -0.172 32.413 32.600 -0.025 0.000 1.361 150 M HN 0.475 nan 8.290 nan 0.000 0.408 151 K N -0.174 120.185 120.400 -0.069 0.000 2.057 151 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 151 K C 1.876 178.426 176.600 -0.084 0.000 1.049 151 K CA 1.811 58.058 56.287 -0.067 0.000 0.931 151 K CB -0.119 32.351 32.500 -0.050 0.000 0.714 151 K HN 0.507 nan 8.250 nan 0.000 0.440 152 Q N 0.332 120.071 119.800 -0.102 0.000 2.061 152 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 152 Q C 2.218 178.128 176.000 -0.150 0.000 0.984 152 Q CA 1.841 57.578 55.803 -0.109 0.000 0.846 152 Q CB -0.132 28.536 28.738 -0.117 0.000 0.902 152 Q HN 0.404 nan 8.270 nan 0.000 0.421 153 I N 1.070 121.452 120.570 -0.313 0.000 2.179 153 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 153 I C 1.786 177.813 176.117 -0.149 0.000 1.088 153 I CA 0.828 61.843 61.300 -0.475 0.000 1.357 153 I CB -0.327 37.285 38.000 -0.647 0.000 1.051 153 I HN 0.219 nan 8.210 nan 0.000 0.409 154 N N 0.772 119.400 118.700 -0.122 0.000 2.244 154 N HA -0.160 4.580 4.740 -0.000 0.000 0.183 154 N C 1.398 176.865 175.510 -0.073 0.000 1.016 154 N CA 1.225 54.223 53.050 -0.085 0.000 0.866 154 N CB -0.403 38.037 38.487 -0.079 0.000 0.980 154 N HN 0.329 nan 8.380 nan 0.000 0.430 155 D N -0.144 120.224 120.400 -0.054 0.000 2.117 155 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 155 D C 1.808 178.085 176.300 -0.038 0.000 0.982 155 D CA 0.626 54.597 54.000 -0.049 0.000 0.828 155 D CB -0.447 40.331 40.800 -0.037 0.000 0.967 155 D HN 0.280 nan 8.370 nan 0.000 0.464 156 Y N 1.821 122.065 120.300 -0.094 0.000 2.097 156 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 156 Y C 2.230 178.093 175.900 -0.063 0.000 1.152 156 Y CA 1.365 59.432 58.100 -0.054 0.000 1.136 156 Y CB -0.486 37.993 38.460 0.033 0.000 0.975 156 Y HN -0.198 nan 8.280 nan 0.000 0.498 157 V N 0.524 120.355 119.914 -0.139 0.000 2.490 157 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 157 V C 2.645 178.505 176.094 -0.390 0.000 1.061 157 V CA 1.585 63.629 62.300 -0.427 0.000 1.064 157 V CB -1.624 29.951 31.823 -0.414 0.000 0.670 157 V HN 0.588 nan 8.190 nan 0.000 0.461 158 A N 0.009 122.682 122.820 -0.245 0.000 1.902 158 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 158 A C 2.323 179.788 177.584 -0.197 0.000 1.181 158 A CA 1.939 53.858 52.037 -0.197 0.000 0.623 158 A CB -0.358 18.560 19.000 -0.136 0.000 0.818 158 A HN 0.550 nan 8.150 nan 0.000 0.443 159 K N -0.814 119.460 120.400 -0.211 0.000 2.031 159 K HA -0.097 4.223 4.320 -0.000 0.000 0.205 159 K C 2.301 178.776 176.600 -0.209 0.000 1.049 159 K CA 1.211 57.387 56.287 -0.184 0.000 0.939 159 K CB -0.180 32.221 32.500 -0.164 0.000 0.717 159 K HN 0.362 nan 8.250 nan 0.000 0.438 160 Q N 0.127 119.730 119.800 -0.330 0.000 2.135 160 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 160 Q C 1.909 177.840 176.000 -0.116 0.000 0.981 160 Q CA 1.937 57.592 55.803 -0.248 0.000 0.856 160 Q CB -0.443 28.082 28.738 -0.355 0.000 0.902 160 Q HN 0.471 nan 8.270 nan 0.000 0.425 161 T N -2.159 112.289 114.554 -0.177 0.000 3.235 161 T HA 0.127 4.477 4.350 -0.000 0.000 0.251 161 T C 0.248 174.862 174.700 -0.142 0.000 1.060 161 T CA -0.344 61.685 62.100 -0.119 0.000 0.949 161 T CB 0.191 68.957 68.868 -0.170 0.000 1.020 161 T HN -0.011 nan 8.240 nan 0.000 0.564 162 K N 0.873 121.196 120.400 -0.128 0.000 3.077 162 K HA -0.208 4.112 4.320 -0.000 0.000 0.264 162 K C 1.233 177.749 176.600 -0.140 0.000 1.008 162 K CA 0.838 57.054 56.287 -0.118 0.000 0.740 162 K CB -2.300 30.142 32.500 -0.098 0.000 1.273 162 K HN 1.128 nan 8.250 nan 0.000 0.477 163 G N -1.604 107.107 108.800 -0.149 0.000 2.179 163 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.260 163 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.260 163 G C 1.076 175.872 174.900 -0.174 0.000 0.977 163 G CA 0.768 45.781 45.100 -0.145 0.000 0.641 163 G HN 0.317 nan 8.290 nan 0.000 0.533 164 K N -0.709 119.555 120.400 -0.227 0.000 2.103 164 K HA 0.353 4.673 4.320 -0.000 0.000 0.204 164 K C 1.218 177.701 176.600 -0.195 0.000 1.052 164 K CA 1.285 57.399 56.287 -0.288 0.000 0.945 164 K CB 0.145 32.338 32.500 -0.511 0.000 0.722 164 K HN 0.622 nan 8.250 nan 0.000 0.443 165 I N 1.334 121.802 120.570 -0.170 0.000 2.495 165 I HA 0.165 4.334 4.170 -0.000 0.000 0.277 165 I C 0.574 176.603 176.117 -0.146 0.000 1.045 165 I CA -0.357 60.865 61.300 -0.130 0.000 1.135 165 I CB 2.055 39.986 38.000 -0.115 0.000 1.241 165 I HN -0.043 nan 8.210 nan 0.000 0.469 166 V N 1.055 120.900 119.914 -0.114 0.000 3.621 166 V HA 0.236 4.356 4.120 -0.000 0.000 0.285 166 V C 0.369 176.411 176.094 -0.086 0.000 1.346 166 V CA 0.535 62.772 62.300 -0.105 0.000 1.104 166 V CB -0.109 31.659 31.823 -0.092 0.000 0.913 166 V HN 0.788 nan 8.190 nan 0.000 0.432 167 D N -0.657 119.698 120.400 -0.075 0.000 2.992 167 D HA 0.097 4.737 4.640 -0.000 0.000 0.372 167 D C 1.064 177.332 176.300 -0.053 0.000 1.374 167 D CA -0.399 53.565 54.000 -0.061 0.000 0.769 167 D CB 0.388 41.157 40.800 -0.051 0.000 1.215 167 D HN 0.217 nan 8.370 nan 0.000 0.473 168 L N 0.010 121.199 121.223 -0.057 0.000 2.010 168 L HA -0.088 4.252 4.340 -0.000 0.000 0.219 168 L C 0.012 176.867 176.870 -0.024 0.000 1.077 168 L CA 1.870 56.690 54.840 -0.033 0.000 0.773 168 L CB -0.226 41.820 42.059 -0.022 0.000 0.892 168 L HN 0.218 nan 8.230 nan 0.000 0.436 169 L N -0.644 120.559 121.223 -0.033 0.000 2.307 169 L HA 0.261 4.601 4.340 -0.000 0.000 0.282 169 L C 0.981 177.831 176.870 -0.033 0.000 1.051 169 L CA 0.296 55.119 54.840 -0.029 0.000 0.804 169 L CB 1.233 43.271 42.059 -0.035 0.000 1.197 169 L HN -0.013 nan 8.230 nan 0.000 0.431 170 K N 0.836 121.219 120.400 -0.029 0.000 2.313 170 K HA 0.294 4.614 4.320 -0.000 0.000 0.197 170 K C -0.046 176.540 176.600 -0.025 0.000 1.061 170 K CA 0.548 56.818 56.287 -0.028 0.000 0.980 170 K CB 0.391 32.874 32.500 -0.028 0.000 0.888 170 K HN 0.521 nan 8.250 nan 0.000 0.502 171 N N -0.564 118.122 118.700 -0.023 0.000 2.647 171 N HA 0.409 5.149 4.740 -0.000 0.000 0.266 171 N C -1.862 173.635 175.510 -0.021 0.000 1.373 171 N CA -0.667 52.370 53.050 -0.021 0.000 0.807 171 N CB 2.138 40.612 38.487 -0.021 0.000 1.513 171 N HN -0.154 nan 8.380 nan 0.000 0.505 172 L N 0.750 121.962 121.223 -0.018 0.000 2.545 172 L HA 0.349 4.689 4.340 -0.000 0.000 0.258 172 L C -1.515 175.340 176.870 -0.025 0.000 0.942 172 L CA -0.448 54.379 54.840 -0.022 0.000 0.855 172 L CB 2.011 44.077 42.059 0.012 0.000 1.374 172 L HN 0.566 nan 8.230 nan 0.000 0.411 173 D N 0.936 121.301 120.400 -0.058 0.000 2.210 173 D HA 0.273 4.913 4.640 -0.000 0.000 0.249 173 D C 0.802 177.080 176.300 -0.036 0.000 1.078 173 D CA 0.386 54.357 54.000 -0.049 0.000 0.875 173 D CB 1.930 42.691 40.800 -0.066 0.000 1.175 173 D HN 0.504 nan 8.370 nan 0.000 0.440 174 S N 2.682 118.382 115.700 0.001 0.000 2.500 174 S HA -0.091 4.379 4.470 -0.000 0.000 0.239 174 S C 0.909 175.527 174.600 0.031 0.000 0.989 174 S CA 0.753 58.974 58.200 0.035 0.000 0.951 174 S CB -0.269 62.949 63.200 0.030 0.000 0.759 174 S HN 0.501 nan 8.310 nan 0.000 0.523 175 N N 1.280 119.972 118.700 -0.013 0.000 2.230 175 N HA 0.257 4.997 4.740 -0.000 0.000 0.202 175 N C 0.125 175.595 175.510 -0.068 0.000 1.119 175 N CA 0.249 53.290 53.050 -0.016 0.000 0.851 175 N CB 0.405 38.882 38.487 -0.017 0.000 0.990 175 N HN 0.358 nan 8.380 nan 0.000 0.497 176 A N 0.374 123.085 122.820 -0.182 0.000 2.498 176 A HA 0.242 4.562 4.320 -0.000 0.000 0.239 176 A C 1.310 178.705 177.584 -0.314 0.000 1.068 176 A CA -0.002 51.789 52.037 -0.409 0.000 0.766 176 A CB 0.566 19.018 19.000 -0.913 0.000 1.003 176 A HN 0.008 nan 8.150 nan 0.000 0.497 177 V N 1.945 121.742 119.914 -0.196 0.000 2.911 177 V HA 0.185 4.305 4.120 -0.000 0.000 0.237 177 V C 0.466 176.647 176.094 0.145 0.000 1.156 177 V CA 1.137 63.464 62.300 0.045 0.000 1.180 177 V CB 0.452 32.312 31.823 0.061 0.000 0.932 177 V HN 0.820 nan 8.190 nan 0.000 0.483 178 V N 1.566 121.506 119.914 0.043 0.000 2.777 178 V HA 0.564 4.684 4.120 -0.000 0.000 0.306 178 V C -1.921 174.236 176.094 0.105 0.000 1.112 178 V CA -0.520 61.889 62.300 0.182 0.000 0.917 178 V CB 2.123 34.044 31.823 0.163 0.000 1.018 178 V HN 0.165 nan 8.190 nan 0.000 0.426 179 I N 7.004 127.724 120.570 0.250 0.000 2.433 179 I HA 0.501 4.670 4.170 -0.000 0.000 0.292 179 I C -0.141 176.183 176.117 0.346 0.000 1.001 179 I CA -0.418 61.017 61.300 0.226 0.000 1.119 179 I CB 1.683 39.822 38.000 0.232 0.000 1.289 179 I HN 0.758 nan 8.210 nan 0.000 0.438 180 M N 7.896 127.657 119.600 0.268 0.000 2.294 180 M HA 0.642 5.122 4.480 -0.000 0.000 0.335 180 M C -1.222 175.250 176.300 0.288 0.000 1.079 180 M CA -0.633 54.832 55.300 0.275 0.000 0.982 180 M CB 1.801 34.526 32.600 0.208 0.000 1.651 180 M HN 0.409 nan 8.290 nan 0.000 0.437 181 V N 2.450 122.571 119.914 0.345 0.000 2.735 181 V HA 0.688 4.808 4.120 -0.000 0.000 0.310 181 V C -1.394 174.894 176.094 0.324 0.000 1.061 181 V CA -0.608 61.914 62.300 0.370 0.000 0.913 181 V CB 1.819 33.935 31.823 0.489 0.000 1.005 181 V HN 1.018 nan 8.190 nan 0.000 0.428 182 N N 2.824 121.700 118.700 0.293 0.000 2.397 182 N HA 0.610 5.350 4.740 -0.000 0.000 0.291 182 N C -1.897 173.715 175.510 0.170 0.000 1.065 182 N CA -0.467 52.663 53.050 0.133 0.000 0.884 182 N CB 2.696 41.319 38.487 0.227 0.000 1.551 182 N HN 0.934 nan 8.380 nan 0.000 0.487 183 Y N 1.897 122.293 120.300 0.160 0.000 2.553 183 Y HA 0.752 5.301 4.550 -0.000 0.000 0.347 183 Y C -1.056 174.944 175.900 0.166 0.000 1.019 183 Y CA -1.114 57.051 58.100 0.109 0.000 1.032 183 Y CB 1.523 40.050 38.460 0.112 0.000 1.284 183 Y HN 0.373 nan 8.280 nan 0.000 0.466 184 I N 3.102 123.865 120.570 0.322 0.000 2.685 184 I HA 0.466 4.635 4.170 -0.000 0.000 0.289 184 I C -2.301 174.097 176.117 0.468 0.000 1.292 184 I CA -0.754 60.762 61.300 0.360 0.000 1.050 184 I CB 1.449 39.640 38.000 0.317 0.000 1.301 184 I HN 0.741 nan 8.210 nan 0.000 0.425 185 F N 8.859 128.982 119.950 0.288 0.000 2.469 185 F HA 0.741 5.268 4.527 -0.000 0.000 0.332 185 F C -1.843 174.104 175.800 0.246 0.000 1.103 185 F CA -0.756 57.370 58.000 0.211 0.000 0.979 185 F CB 1.608 40.674 39.000 0.110 0.000 1.137 185 F HN 0.368 nan 8.300 nan 0.000 0.463 186 F N 6.241 125.619 119.950 -0.953 0.000 2.581 186 F HA 0.572 5.099 4.527 0.000 0.000 0.311 186 F C -1.632 173.561 175.800 -1.011 0.000 1.113 186 F CA -0.673 56.861 58.000 -0.777 0.000 0.935 186 F CB 1.524 40.303 39.000 -0.367 0.000 1.232 186 F HN 0.533 nan 8.300 nan 0.000 0.445 187 K N 5.058 124.486 120.400 -1.621 0.000 2.636 187 K HA 0.681 5.001 4.320 -0.000 0.000 0.286 187 K C -2.058 173.824 176.600 -1.197 0.000 1.100 187 K CA -0.288 55.291 56.287 -1.181 0.000 0.991 187 K CB 0.941 33.053 32.500 -0.647 0.000 1.323 187 K HN 0.873 nan 8.250 nan 0.000 0.478 188 A N 2.996 125.004 122.820 -1.353 0.000 2.309 188 A HA 0.762 5.082 4.320 -0.000 0.000 0.317 188 A C -1.036 176.292 177.584 -0.427 0.000 1.134 188 A CA -0.780 50.728 52.037 -0.882 0.000 0.866 188 A CB 1.034 19.405 19.000 -1.047 0.000 1.329 188 A HN 0.470 nan 8.150 nan 0.000 0.477 189 K N 0.114 120.423 120.400 -0.151 0.000 2.130 189 K HA 0.257 4.577 4.320 -0.000 0.000 0.268 189 K C -1.044 175.623 176.600 0.111 0.000 0.983 189 K CA -0.068 56.193 56.287 -0.044 0.000 0.893 189 K CB 0.917 33.438 32.500 0.035 0.000 1.066 189 K HN 0.705 nan 8.250 nan 0.000 0.450 190 W N 1.242 122.698 121.300 0.260 0.000 2.079 190 W HA 0.047 4.706 4.660 -0.000 0.000 0.354 190 W C 1.930 178.516 176.519 0.113 0.000 1.302 190 W CA -0.146 57.298 57.345 0.166 0.000 1.281 190 W CB 0.367 29.836 29.460 0.015 0.000 1.165 190 W HN 0.716 nan 8.180 nan 0.000 0.603 191 E N -0.199 120.211 120.200 0.350 0.000 2.051 191 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 191 E C -0.012 176.665 176.600 0.129 0.000 0.991 191 E CA 1.105 57.621 56.400 0.193 0.000 0.799 191 E CB 0.088 29.872 29.700 0.141 0.000 0.748 191 E HN 0.292 nan 8.360 nan 0.000 0.449 192 T N 0.434 115.040 114.554 0.087 0.000 2.824 192 T HA 0.304 4.654 4.350 -0.000 0.000 0.282 192 T C -0.519 174.162 174.700 -0.031 0.000 0.993 192 T CA -0.706 61.391 62.100 -0.004 0.000 0.967 192 T CB 1.905 70.709 68.868 -0.106 0.000 0.960 192 T HN -0.056 nan 8.240 nan 0.000 0.441 193 S N 1.727 117.440 115.700 0.022 0.000 2.589 193 S HA 0.417 4.887 4.470 -0.000 0.000 0.265 193 S C -0.059 174.482 174.600 -0.097 0.000 1.342 193 S CA -0.433 57.807 58.200 0.068 0.000 1.005 193 S CB 0.091 63.369 63.200 0.131 0.000 0.909 193 S HN 0.449 nan 8.310 nan 0.000 0.555 194 F N 1.612 121.597 119.950 0.058 0.000 2.370 194 F HA 0.258 4.785 4.527 -0.000 0.000 0.324 194 F C 1.166 176.975 175.800 0.015 0.000 1.116 194 F CA -0.810 57.181 58.000 -0.015 0.000 1.123 194 F CB 0.428 39.397 39.000 -0.051 0.000 1.238 194 F HN 0.397 nan 8.300 nan 0.000 0.536 195 N N 1.761 120.575 118.700 0.189 0.000 2.219 195 N HA -0.177 4.563 4.740 -0.000 0.000 0.263 195 N C 1.240 176.834 175.510 0.140 0.000 1.269 195 N CA 0.442 53.567 53.050 0.126 0.000 0.831 195 N CB 0.019 38.552 38.487 0.077 0.000 1.059 195 N HN 0.658 nan 8.380 nan 0.000 0.475 196 H N 2.129 121.237 119.070 0.063 0.000 2.521 196 H HA -0.010 4.546 4.556 -0.000 0.000 0.286 196 H C 0.088 175.444 175.328 0.047 0.000 1.034 196 H CA 1.261 57.344 56.048 0.058 0.000 1.278 196 H CB 0.584 30.373 29.762 0.045 0.000 1.386 196 H HN 0.501 nan 8.280 nan 0.000 0.567 197 K N -1.035 119.382 120.400 0.028 0.000 2.483 197 K HA 0.192 4.512 4.320 -0.000 0.000 0.206 197 K C 1.266 177.868 176.600 0.004 0.000 1.086 197 K CA 0.315 56.597 56.287 -0.009 0.000 1.052 197 K CB 1.228 33.778 32.500 0.082 0.000 0.904 197 K HN 0.066 nan 8.250 nan 0.000 0.557 198 G N 1.089 109.898 108.800 0.015 0.000 3.448 198 G HA2 0.002 3.962 3.960 -0.000 0.000 0.261 198 G HA3 0.002 3.962 3.960 -0.000 0.000 0.261 198 G C -0.100 174.802 174.900 0.004 0.000 1.173 198 G CA 0.036 45.147 45.100 0.018 0.000 0.835 198 G HN -0.001 nan 8.290 nan 0.000 0.534 199 T N 1.887 116.433 114.554 -0.013 0.000 2.753 199 T HA 0.462 4.812 4.350 -0.000 0.000 0.297 199 T C -0.477 174.224 174.700 0.001 0.000 0.981 199 T CA -0.273 61.814 62.100 -0.021 0.000 0.956 199 T CB 1.429 70.270 68.868 -0.045 0.000 0.936 199 T HN 0.088 nan 8.240 nan 0.000 0.463 200 Q N 1.823 121.641 119.800 0.030 0.000 2.394 200 Q HA 0.406 4.746 4.340 -0.000 0.000 0.273 200 Q C -0.339 175.680 176.000 0.033 0.000 1.089 200 Q CA -0.930 54.893 55.803 0.033 0.000 0.812 200 Q CB 2.339 31.106 28.738 0.050 0.000 1.353 200 Q HN 0.642 nan 8.270 nan 0.000 0.438 201 E N 1.230 121.443 120.200 0.021 0.000 2.392 201 E HA 0.079 4.429 4.350 -0.000 0.000 0.264 201 E C -0.811 175.804 176.600 0.025 0.000 1.024 201 E CA 0.658 57.069 56.400 0.019 0.000 0.903 201 E CB 0.619 30.325 29.700 0.009 0.000 0.963 201 E HN 0.320 nan 8.360 nan 0.000 0.432 202 Q N 2.096 121.915 119.800 0.032 0.000 2.626 202 Q HA 0.304 4.644 4.340 -0.000 0.000 0.300 202 Q C -1.419 174.599 176.000 0.030 0.000 0.988 202 Q CA -1.082 54.740 55.803 0.031 0.000 0.761 202 Q CB 1.272 30.037 28.738 0.044 0.000 1.494 202 Q HN 0.489 nan 8.270 nan 0.000 0.439 203 D N 0.823 121.228 120.400 0.008 0.000 2.304 203 D HA 0.366 5.006 4.640 -0.000 0.000 0.250 203 D C -1.382 174.902 176.300 -0.028 0.000 1.107 203 D CA 0.289 54.236 54.000 -0.089 0.000 0.885 203 D CB 0.624 41.300 40.800 -0.207 0.000 1.192 203 D HN 0.243 nan 8.370 nan 0.000 0.436 204 F N 2.577 122.379 119.950 -0.247 0.000 2.499 204 F HA 0.273 4.800 4.527 -0.000 0.000 0.333 204 F C -1.228 174.444 175.800 -0.214 0.000 1.138 204 F CA -0.911 57.032 58.000 -0.096 0.000 0.945 204 F CB 0.786 39.784 39.000 -0.003 0.000 1.181 204 F HN 0.166 nan 8.300 nan 0.000 0.435 205 Y N 6.386 126.453 120.300 -0.389 0.000 2.636 205 Y HA 0.226 4.776 4.550 -0.000 0.000 0.341 205 Y C 1.126 176.883 175.900 -0.239 0.000 1.169 205 Y CA -0.456 57.509 58.100 -0.225 0.000 1.498 205 Y CB 0.287 38.629 38.460 -0.197 0.000 1.362 205 Y HN 0.470 nan 8.280 nan 0.000 0.494 206 V N 0.997 120.977 119.914 0.109 0.000 2.392 206 V HA -0.196 3.924 4.120 -0.000 0.000 0.249 206 V C 1.167 177.332 176.094 0.119 0.000 1.059 206 V CA 2.121 64.550 62.300 0.215 0.000 1.051 206 V CB -0.707 31.250 31.823 0.224 0.000 0.658 206 V HN 0.848 nan 8.190 nan 0.000 0.455 207 T N -4.616 110.001 114.554 0.105 0.000 2.762 207 T HA 0.286 4.636 4.350 -0.000 0.000 0.301 207 T C 0.841 175.610 174.700 0.115 0.000 1.299 207 T CA 0.141 62.294 62.100 0.088 0.000 1.005 207 T CB 1.479 70.390 68.868 0.073 0.000 1.377 207 T HN 0.149 nan 8.240 nan 0.000 0.504 208 S N -0.094 115.653 115.700 0.077 0.000 2.442 208 S HA -0.094 4.376 4.470 -0.000 0.000 0.236 208 S C 1.196 175.856 174.600 0.100 0.000 1.007 208 S CA 1.019 59.263 58.200 0.074 0.000 0.965 208 S CB -0.530 62.685 63.200 0.025 0.000 0.773 208 S HN 0.695 nan 8.310 nan 0.000 0.504 209 E N 1.310 121.559 120.200 0.081 0.000 2.110 209 E HA 0.122 4.472 4.350 -0.000 0.000 0.193 209 E C 0.340 176.977 176.600 0.063 0.000 0.950 209 E CA 0.629 57.068 56.400 0.065 0.000 0.840 209 E CB -0.877 28.849 29.700 0.045 0.000 0.809 209 E HN 0.441 nan 8.360 nan 0.000 0.465 210 T N 2.725 117.315 114.554 0.061 0.000 2.794 210 T HA 0.375 4.725 4.350 -0.000 0.000 0.296 210 T C 0.039 174.750 174.700 0.018 0.000 0.949 210 T CA -0.159 61.966 62.100 0.043 0.000 1.101 210 T CB 1.349 70.249 68.868 0.054 0.000 0.905 210 T HN -0.217 nan 8.240 nan 0.000 0.516 211 V N 4.368 124.260 119.914 -0.036 0.000 2.638 211 V HA 0.701 4.821 4.120 -0.000 0.000 0.306 211 V C -0.078 175.964 176.094 -0.085 0.000 1.052 211 V CA -0.891 61.316 62.300 -0.154 0.000 0.885 211 V CB 1.808 33.476 31.823 -0.259 0.000 0.999 211 V HN 0.847 nan 8.190 nan 0.000 0.424 212 V N 2.328 122.210 119.914 -0.054 0.000 3.040 212 V HA 0.778 4.898 4.120 -0.000 0.000 0.312 212 V C -0.691 175.400 176.094 -0.005 0.000 1.115 212 V CA -1.082 61.213 62.300 -0.008 0.000 0.998 212 V CB 2.441 34.283 31.823 0.032 0.000 1.042 212 V HN 0.741 nan 8.190 nan 0.000 0.433 213 R N 1.640 122.134 120.500 -0.010 0.000 2.404 213 R HA 0.838 5.178 4.340 -0.000 0.000 0.291 213 R C -0.512 175.790 176.300 0.004 0.000 1.025 213 R CA -0.254 55.845 56.100 -0.002 0.000 0.991 213 R CB 1.513 31.807 30.300 -0.009 0.000 1.053 213 R HN 1.288 nan 8.270 nan 0.000 0.479 214 V N -0.969 118.956 119.914 0.019 0.000 3.087 214 V HA 0.608 4.727 4.120 -0.000 0.000 0.306 214 V C -2.685 173.422 176.094 0.021 0.000 1.187 214 V CA -2.486 59.817 62.300 0.006 0.000 0.999 214 V CB 2.686 34.496 31.823 -0.021 0.000 1.049 214 V HN 0.587 nan 8.190 nan 0.000 0.431 215 P HA 0.361 nan 4.420 nan 0.000 0.282 215 P C -0.964 176.341 177.300 0.009 0.000 1.274 215 P CA 0.006 63.111 63.100 0.008 0.000 0.770 215 P CB 1.218 32.917 31.700 -0.001 0.000 0.867 216 M N 5.331 124.941 119.600 0.017 0.000 2.072 216 M HA 0.347 4.827 4.480 -0.000 0.000 0.331 216 M C -0.359 175.915 176.300 -0.043 0.000 1.004 216 M CA -0.640 54.672 55.300 0.021 0.000 0.952 216 M CB 0.649 33.315 32.600 0.110 0.000 1.511 216 M HN 0.247 nan 8.290 nan 0.000 0.422 217 M N 2.426 121.902 119.600 -0.207 0.000 2.197 217 M HA 0.646 5.126 4.480 -0.000 0.000 0.305 217 M C -0.060 176.003 176.300 -0.395 0.000 1.162 217 M CA -0.338 54.739 55.300 -0.373 0.000 1.099 217 M CB 1.407 33.513 32.600 -0.824 0.000 1.430 217 M HN 0.803 nan 8.290 nan 0.000 0.481 218 S N 0.684 116.218 115.700 -0.276 0.000 2.552 218 S HA 0.790 5.260 4.470 -0.000 0.000 0.272 218 S C -1.155 173.484 174.600 0.065 0.000 1.150 218 S CA -1.168 56.855 58.200 -0.293 0.000 0.849 218 S CB 2.446 65.221 63.200 -0.709 0.000 1.113 218 S HN 0.874 nan 8.310 nan 0.000 0.458 219 R N 0.607 121.126 120.500 0.032 0.000 2.808 219 R HA 0.278 4.618 4.340 -0.000 0.000 0.254 219 R C -1.849 174.500 176.300 0.081 0.000 1.145 219 R CA -0.181 55.959 56.100 0.066 0.000 1.066 219 R CB 1.511 31.840 30.300 0.048 0.000 1.268 219 R HN 0.898 nan 8.270 nan 0.000 0.447 220 E N 2.903 123.118 120.200 0.025 0.000 2.266 220 E HA 0.290 4.640 4.350 -0.000 0.000 0.277 220 E C -1.158 175.438 176.600 -0.006 0.000 1.018 220 E CA -0.179 56.254 56.400 0.055 0.000 0.840 220 E CB 1.222 30.925 29.700 0.006 0.000 1.082 220 E HN 0.587 nan 8.360 nan 0.000 0.395 221 D N 1.837 122.227 120.400 -0.017 0.000 2.871 221 D HA 0.021 4.661 4.640 -0.000 0.000 0.330 221 D C -1.756 174.352 176.300 -0.321 0.000 1.364 221 D CA -0.538 53.298 54.000 -0.272 0.000 0.759 221 D CB 0.659 41.134 40.800 -0.541 0.000 1.325 221 D HN 0.259 nan 8.370 nan 0.000 0.452 222 Q N 0.173 119.743 119.800 -0.384 0.000 2.288 222 Q HA 0.591 4.931 4.340 -0.000 0.000 0.254 222 Q C -1.352 174.383 176.000 -0.442 0.000 0.932 222 Q CA 0.295 55.934 55.803 -0.273 0.000 0.902 222 Q CB 0.617 29.227 28.738 -0.214 0.000 1.203 222 Q HN 0.384 nan 8.270 nan 0.000 0.415 223 Y N 0.348 120.570 120.300 -0.130 0.000 2.544 223 Y HA 0.268 4.818 4.550 -0.000 0.000 0.342 223 Y C -0.856 174.922 175.900 -0.203 0.000 1.062 223 Y CA -0.956 57.072 58.100 -0.121 0.000 1.023 223 Y CB 1.442 39.866 38.460 -0.060 0.000 1.308 223 Y HN 0.630 nan 8.280 nan 0.000 0.457 224 H N 1.862 120.851 119.070 -0.134 0.000 3.086 224 H HA 0.128 4.683 4.556 -0.000 0.000 0.265 224 H C -0.941 173.984 175.328 -0.672 0.000 1.092 224 H CA 0.492 56.242 56.048 -0.497 0.000 1.487 224 H CB -0.119 29.102 29.762 -0.902 0.000 1.514 224 H HN 0.534 nan 8.280 nan 0.000 0.497 225 Y N 3.970 124.090 120.300 -0.301 0.000 2.631 225 Y HA 0.610 5.160 4.550 -0.000 0.000 0.328 225 Y C -1.264 174.722 175.900 0.143 0.000 1.118 225 Y CA -1.311 56.726 58.100 -0.104 0.000 1.206 225 Y CB 1.343 39.785 38.460 -0.030 0.000 1.337 225 Y HN 0.525 nan 8.280 nan 0.000 0.515 226 L N 5.129 125.815 121.223 -0.896 0.000 3.077 226 L HA 0.365 4.705 4.340 -0.000 0.000 0.254 226 L C -2.528 173.864 176.870 -0.798 0.000 0.959 226 L CA -0.467 54.079 54.840 -0.490 0.000 1.030 226 L CB 1.335 43.391 42.059 -0.004 0.000 1.679 226 L HN 0.869 nan 8.230 nan 0.000 0.468 227 L N 4.191 125.164 121.223 -0.418 0.000 2.333 227 L HA 0.539 4.879 4.340 -0.000 0.000 0.280 227 L C -0.918 175.869 176.870 -0.139 0.000 1.004 227 L CA -0.318 54.369 54.840 -0.255 0.000 0.820 227 L CB 1.606 43.644 42.059 -0.036 0.000 1.247 227 L HN 0.719 nan 8.230 nan 0.000 0.416 228 D N 4.621 124.943 120.400 -0.130 0.000 2.485 228 D HA 0.212 4.852 4.640 -0.000 0.000 0.229 228 D C 0.926 177.233 176.300 0.013 0.000 1.101 228 D CA -0.290 53.697 54.000 -0.022 0.000 0.906 228 D CB 0.872 41.698 40.800 0.042 0.000 1.019 228 D HN 0.524 nan 8.370 nan 0.000 0.516 229 R N 2.174 122.684 120.500 0.017 0.000 2.241 229 R HA -0.131 4.209 4.340 -0.000 0.000 0.224 229 R C 1.497 177.815 176.300 0.031 0.000 1.101 229 R CA 0.699 56.812 56.100 0.022 0.000 0.995 229 R CB 0.075 30.388 30.300 0.021 0.000 0.870 229 R HN 0.341 nan 8.270 nan 0.000 0.463 230 N N 0.743 119.469 118.700 0.044 0.000 2.148 230 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 230 N C 1.255 176.798 175.510 0.055 0.000 1.031 230 N CA 1.249 54.326 53.050 0.045 0.000 0.848 230 N CB 0.002 38.517 38.487 0.047 0.000 1.005 230 N HN 0.007 nan 8.380 nan 0.000 0.427 231 L N 0.128 121.403 121.223 0.086 0.000 2.509 231 L HA 0.257 4.597 4.340 -0.000 0.000 0.222 231 L C 0.574 177.493 176.870 0.081 0.000 1.123 231 L CA 0.394 55.295 54.840 0.101 0.000 0.856 231 L CB -0.580 41.586 42.059 0.178 0.000 0.985 231 L HN 0.213 nan 8.230 nan 0.000 0.456 232 S N -0.444 115.290 115.700 0.056 0.000 3.681 232 S HA -0.155 4.315 4.470 -0.000 0.000 0.473 232 S C -0.192 174.424 174.600 0.027 0.000 0.830 232 S CA 0.193 58.413 58.200 0.033 0.000 1.355 232 S CB -1.577 61.642 63.200 0.032 0.000 0.892 232 S HN 0.630 nan 8.310 nan 0.000 0.649 233 C N 2.127 121.425 119.300 -0.003 0.000 3.312 233 C HA 0.825 5.285 4.460 -0.000 0.000 0.332 233 C C -0.645 174.274 174.990 -0.118 0.000 1.340 233 C CA -1.226 57.775 59.018 -0.030 0.000 1.265 233 C CB 1.523 29.268 27.740 0.010 0.000 1.563 233 C HN 0.804 nan 8.230 nan 0.000 0.471 234 R N 0.859 121.287 120.500 -0.119 0.000 2.589 234 R HA 0.852 5.192 4.340 -0.000 0.000 0.293 234 R C -1.294 174.893 176.300 -0.189 0.000 0.963 234 R CA -0.559 55.430 56.100 -0.185 0.000 0.905 234 R CB 2.182 32.455 30.300 -0.045 0.000 1.144 234 R HN 0.681 nan 8.270 nan 0.000 0.459 235 V N 2.847 122.572 119.914 -0.315 0.000 2.656 235 V HA 0.489 4.609 4.120 -0.000 0.000 0.307 235 V C -0.790 175.340 176.094 0.060 0.000 1.051 235 V CA -0.806 61.400 62.300 -0.158 0.000 0.893 235 V CB 1.994 33.511 31.823 -0.511 0.000 0.999 235 V HN 0.497 nan 8.190 nan 0.000 0.426 236 V N 3.203 123.251 119.914 0.224 0.000 2.789 236 V HA 0.959 5.079 4.120 -0.000 0.000 0.311 236 V C 0.112 176.282 176.094 0.127 0.000 1.073 236 V CA 0.086 62.468 62.300 0.136 0.000 0.921 236 V CB 2.211 34.156 31.823 0.203 0.000 1.009 236 V HN 1.032 nan 8.190 nan 0.000 0.426 237 G N 4.449 113.204 108.800 -0.075 0.000 2.416 237 G HA2 0.618 4.578 3.960 -0.000 0.000 0.324 237 G HA3 0.618 4.578 3.960 -0.000 0.000 0.324 237 G C -1.393 173.589 174.900 0.137 0.000 1.194 237 G CA -0.465 44.660 45.100 0.041 0.000 0.922 237 G HN 0.904 nan 8.290 nan 0.000 0.467 238 V N 4.511 124.510 119.914 0.142 0.000 2.444 238 V HA 0.446 4.566 4.120 -0.000 0.000 0.294 238 V C -2.101 174.090 176.094 0.163 0.000 1.022 238 V CA -1.723 60.643 62.300 0.110 0.000 0.850 238 V CB 2.255 34.010 31.823 -0.112 0.000 0.992 238 V HN 0.695 nan 8.190 nan 0.000 0.426 239 P HA 0.285 nan 4.420 nan 0.000 0.282 239 P C -1.107 176.406 177.300 0.355 0.000 1.262 239 P CA -0.198 63.042 63.100 0.233 0.000 0.773 239 P CB 0.783 32.582 31.700 0.165 0.000 0.879 240 Y N 0.390 120.951 120.300 0.434 0.000 2.289 240 Y HA 0.299 4.849 4.550 -0.000 0.000 0.332 240 Y C 1.812 177.860 175.900 0.248 0.000 1.324 240 Y CA 0.208 58.529 58.100 0.369 0.000 1.478 240 Y CB -0.165 38.554 38.460 0.432 0.000 1.378 240 Y HN 0.358 nan 8.280 nan 0.000 0.558 241 Q N 0.955 121.003 119.800 0.413 0.000 2.359 241 Q HA 0.482 4.822 4.340 -0.000 0.000 0.249 241 Q C 0.489 176.583 176.000 0.158 0.000 1.181 241 Q CA 0.400 56.343 55.803 0.234 0.000 0.897 241 Q CB -0.707 28.141 28.738 0.183 0.000 1.424 241 Q HN 1.083 nan 8.270 nan 0.000 0.478 242 G N 0.920 109.774 108.800 0.090 0.000 2.286 242 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.118 242 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.118 242 G C 0.464 175.344 174.900 -0.032 0.000 1.267 242 G CA 0.235 45.313 45.100 -0.037 0.000 1.171 242 G HN 0.880 nan 8.290 nan 0.000 0.465 243 N N 0.483 119.106 118.700 -0.129 0.000 2.294 243 N HA 0.499 5.239 4.740 -0.000 0.000 0.186 243 N C 0.974 176.487 175.510 0.004 0.000 1.107 243 N CA 1.392 54.408 53.050 -0.056 0.000 0.884 243 N CB 0.412 38.850 38.487 -0.081 0.000 1.030 243 N HN 0.985 nan 8.380 nan 0.000 0.482 244 A N -0.298 122.519 122.820 -0.005 0.000 2.386 244 A HA 0.519 4.839 4.320 -0.000 0.000 0.248 244 A C -0.276 177.541 177.584 0.389 0.000 1.082 244 A CA 0.167 52.349 52.037 0.240 0.000 0.789 244 A CB 0.215 19.514 19.000 0.498 0.000 1.025 244 A HN 0.264 nan 8.150 nan 0.000 0.490 245 T N 1.023 115.796 114.554 0.366 0.000 2.881 245 T HA 0.602 4.952 4.350 -0.000 0.000 0.290 245 T C -0.283 174.603 174.700 0.309 0.000 1.000 245 T CA 0.202 62.485 62.100 0.304 0.000 0.978 245 T CB 1.627 70.609 68.868 0.191 0.000 0.997 245 T HN 1.122 nan 8.240 nan 0.000 0.443 246 A N 3.759 126.717 122.820 0.230 0.000 2.276 246 A HA 0.733 5.053 4.320 -0.000 0.000 0.300 246 A C -0.377 177.133 177.584 -0.123 0.000 1.235 246 A CA -0.546 51.537 52.037 0.077 0.000 0.867 246 A CB 0.037 19.113 19.000 0.127 0.000 1.137 246 A HN 0.832 nan 8.150 nan 0.000 0.527 247 L N 2.916 124.070 121.223 -0.115 0.000 2.287 247 L HA 0.472 4.812 4.340 -0.000 0.000 0.287 247 L C -1.224 175.564 176.870 -0.138 0.000 1.022 247 L CA -0.138 54.695 54.840 -0.011 0.000 0.814 247 L CB 1.094 43.231 42.059 0.130 0.000 1.217 247 L HN 0.688 nan 8.230 nan 0.000 0.420 248 F N 4.153 124.240 119.950 0.228 0.000 2.402 248 F HA 0.453 4.980 4.527 -0.000 0.000 0.355 248 F C -0.070 175.933 175.800 0.337 0.000 1.123 248 F CA -0.741 57.366 58.000 0.179 0.000 1.021 248 F CB 1.555 40.301 39.000 -0.424 0.000 1.160 248 F HN 0.213 nan 8.300 nan 0.000 0.451 249 I N 4.859 125.797 120.570 0.613 0.000 2.339 249 I HA 0.283 4.453 4.170 -0.000 0.000 0.290 249 I C -0.786 175.659 176.117 0.546 0.000 0.994 249 I CA -0.564 60.990 61.300 0.423 0.000 1.191 249 I CB 1.432 39.608 38.000 0.295 0.000 1.343 249 I HN 0.365 nan 8.210 nan 0.000 0.458 250 L N 9.862 131.284 121.223 0.333 0.000 2.295 250 L HA 0.682 5.022 4.340 -0.000 0.000 0.281 250 L C -2.531 174.380 176.870 0.068 0.000 1.018 250 L CA -1.795 53.141 54.840 0.159 0.000 0.841 250 L CB 0.824 42.709 42.059 -0.290 0.000 1.218 250 L HN 0.300 nan 8.230 nan 0.000 0.424 251 P HA 0.257 nan 4.420 nan 0.000 0.274 251 P C -0.821 176.493 177.300 0.022 0.000 1.231 251 P CA -0.325 62.821 63.100 0.077 0.000 0.790 251 P CB 0.788 32.557 31.700 0.114 0.000 0.951 252 S N 1.207 116.911 115.700 0.007 0.000 2.614 252 S HA 0.130 4.600 4.470 -0.000 0.000 0.265 252 S C 0.124 174.715 174.600 -0.014 0.000 1.303 252 S CA -0.719 57.470 58.200 -0.019 0.000 1.000 252 S CB -0.031 63.160 63.200 -0.016 0.000 0.935 252 S HN 0.346 nan 8.310 nan 0.000 0.551 253 E N 0.735 120.912 120.200 -0.037 0.000 3.056 253 E HA -0.001 4.349 4.350 -0.000 0.000 0.264 253 E C 1.474 178.067 176.600 -0.011 0.000 0.899 253 E CA 1.499 57.876 56.400 -0.038 0.000 0.966 253 E CB -0.685 28.982 29.700 -0.056 0.000 0.913 253 E HN 1.234 nan 8.360 nan 0.000 0.522 254 G N 3.718 112.518 108.800 -0.000 0.000 2.186 254 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.266 254 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.266 254 G C 0.631 175.551 174.900 0.033 0.000 0.982 254 G CA 0.631 45.741 45.100 0.017 0.000 0.670 254 G HN 0.382 nan 8.290 nan 0.000 0.533 255 K N -0.640 119.784 120.400 0.040 0.000 2.493 255 K HA 0.394 4.714 4.320 -0.000 0.000 0.207 255 K C 1.806 178.457 176.600 0.084 0.000 1.033 255 K CA 0.122 56.443 56.287 0.056 0.000 1.161 255 K CB 0.189 32.718 32.500 0.048 0.000 0.873 255 K HN 0.448 nan 8.250 nan 0.000 0.491 256 M N 0.926 120.582 119.600 0.095 0.000 2.086 256 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 256 M C 1.889 178.272 176.300 0.139 0.000 1.067 256 M CA 1.854 57.233 55.300 0.131 0.000 1.116 256 M CB -0.086 32.596 32.600 0.138 0.000 1.348 256 M HN -0.006 nan 8.290 nan 0.000 0.407 257 Q N 0.230 120.098 119.800 0.114 0.000 2.096 257 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 257 Q C 2.159 178.223 176.000 0.107 0.000 0.982 257 Q CA 2.278 58.148 55.803 0.112 0.000 0.850 257 Q CB -0.641 28.147 28.738 0.083 0.000 0.901 257 Q HN 0.822 nan 8.270 nan 0.000 0.422 258 Q N -0.325 119.530 119.800 0.090 0.000 2.061 258 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 258 Q C 2.024 178.082 176.000 0.097 0.000 0.984 258 Q CA 1.789 57.641 55.803 0.080 0.000 0.846 258 Q CB 0.142 28.919 28.738 0.066 0.000 0.902 258 Q HN 0.217 nan 8.270 nan 0.000 0.421 259 V N 1.255 121.242 119.914 0.122 0.000 2.307 259 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 259 V C 2.030 178.216 176.094 0.153 0.000 1.045 259 V CA 2.192 64.585 62.300 0.155 0.000 1.024 259 V CB -0.669 31.268 31.823 0.190 0.000 0.651 259 V HN 0.420 nan 8.190 nan 0.000 0.449 260 E N 0.623 120.925 120.200 0.170 0.000 2.097 260 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 260 E C 1.939 178.636 176.600 0.162 0.000 1.000 260 E CA 1.796 58.316 56.400 0.200 0.000 0.804 260 E CB -0.335 29.549 29.700 0.307 0.000 0.740 260 E HN 0.686 nan 8.360 nan 0.000 0.454 261 N N -0.271 118.503 118.700 0.123 0.000 2.396 261 N HA -0.067 4.673 4.740 -0.000 0.000 0.180 261 N C 1.619 177.149 175.510 0.033 0.000 1.028 261 N CA 0.914 54.014 53.050 0.084 0.000 0.893 261 N CB 0.055 38.582 38.487 0.067 0.000 0.967 261 N HN 0.160 nan 8.380 nan 0.000 0.440 262 G N -0.069 108.743 108.800 0.021 0.000 2.683 262 G HA2 0.088 4.048 3.960 -0.000 0.000 0.213 262 G HA3 0.088 4.048 3.960 -0.000 0.000 0.213 262 G C 0.276 175.068 174.900 -0.180 0.000 1.142 262 G CA -0.292 44.778 45.100 -0.049 0.000 0.793 262 G HN 0.126 nan 8.290 nan 0.000 0.534 263 L N 2.587 123.715 121.223 -0.158 0.000 2.628 263 L HA 0.272 4.612 4.340 -0.000 0.000 0.274 263 L C 0.406 176.760 176.870 -0.860 0.000 1.209 263 L CA 0.109 54.706 54.840 -0.404 0.000 0.930 263 L CB 0.090 42.118 42.059 -0.051 0.000 1.183 263 L HN 0.309 nan 8.230 nan 0.000 0.492 264 S N 0.359 115.219 115.700 -1.400 0.000 2.595 264 S HA 0.205 4.674 4.470 -0.000 0.000 0.270 264 S C 0.206 174.214 174.600 -0.986 0.000 1.145 264 S CA -0.931 56.521 58.200 -1.247 0.000 0.825 264 S CB 1.673 64.583 63.200 -0.484 0.000 1.107 264 S HN 0.509 nan 8.310 nan 0.000 0.461 265 E N 1.247 121.254 120.200 -0.321 0.000 2.070 265 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 265 E C 2.098 178.584 176.600 -0.191 0.000 1.004 265 E CA 2.158 58.542 56.400 -0.027 0.000 0.805 265 E CB -0.209 29.557 29.700 0.109 0.000 0.744 265 E HN 0.562 nan 8.360 nan 0.000 0.451 266 K N -0.766 119.504 120.400 -0.217 0.000 1.978 266 K HA -0.155 4.165 4.320 -0.000 0.000 0.214 266 K C 2.329 178.720 176.600 -0.348 0.000 1.049 266 K CA 2.065 58.221 56.287 -0.219 0.000 0.939 266 K CB -1.309 31.086 32.500 -0.175 0.000 0.721 266 K HN 0.412 nan 8.250 nan 0.000 0.441 267 T N 1.454 115.716 114.554 -0.487 0.000 2.685 267 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 267 T C 1.691 175.753 174.700 -1.063 0.000 1.034 267 T CA 1.773 63.426 62.100 -0.744 0.000 1.149 267 T CB -0.479 67.878 68.868 -0.852 0.000 0.860 267 T HN 0.286 nan 8.240 nan 0.000 0.449 268 L N 0.952 121.662 121.223 -0.856 0.000 2.093 268 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 268 L C 2.403 179.045 176.870 -0.380 0.000 1.085 268 L CA 1.648 56.080 54.840 -0.680 0.000 0.755 268 L CB -0.435 41.417 42.059 -0.344 0.000 0.904 268 L HN 0.079 nan 8.230 nan 0.000 0.435 269 R N -0.626 119.706 120.500 -0.280 0.000 2.115 269 R HA -0.151 4.189 4.340 -0.000 0.000 0.230 269 R C 2.315 178.522 176.300 -0.156 0.000 1.111 269 R CA 1.282 57.283 56.100 -0.165 0.000 0.976 269 R CB -0.323 29.906 30.300 -0.119 0.000 0.870 269 R HN 0.344 nan 8.270 nan 0.000 0.445 270 K N 0.228 120.501 120.400 -0.212 0.000 2.002 270 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 270 K C 1.701 178.279 176.600 -0.036 0.000 1.048 270 K CA 1.374 57.588 56.287 -0.121 0.000 0.930 270 K CB -0.077 32.340 32.500 -0.138 0.000 0.714 270 K HN 0.131 nan 8.250 nan 0.000 0.438 271 W N 1.525 122.643 121.300 -0.302 0.000 2.304 271 W HA -0.185 4.475 4.660 -0.000 0.000 0.315 271 W C 2.032 178.144 176.519 -0.679 0.000 1.233 271 W CA 0.829 57.874 57.345 -0.499 0.000 1.261 271 W CB -1.135 27.968 29.460 -0.594 0.000 1.150 271 W HN 0.114 nan 8.180 nan 0.000 0.494 272 L N 0.096 121.159 121.223 -0.268 0.000 2.353 272 L HA -0.151 4.189 4.340 -0.000 0.000 0.220 272 L C 2.322 179.159 176.870 -0.056 0.000 1.133 272 L CA 1.322 56.029 54.840 -0.222 0.000 0.798 272 L CB -0.761 41.237 42.059 -0.101 0.000 0.922 272 L HN -0.007 nan 8.230 nan 0.000 0.445 273 K N -0.084 120.290 120.400 -0.044 0.000 2.323 273 K HA 0.002 4.321 4.320 -0.000 0.000 0.197 273 K C 1.732 178.370 176.600 0.062 0.000 1.043 273 K CA 0.355 56.654 56.287 0.020 0.000 0.997 273 K CB 0.346 32.847 32.500 0.001 0.000 0.807 273 K HN 0.179 nan 8.250 nan 0.000 0.497 274 M N 0.099 119.731 119.600 0.053 0.000 2.382 274 M HA 0.175 4.655 4.480 -0.000 0.000 0.247 274 M C 0.075 176.520 176.300 0.241 0.000 1.104 274 M CA 0.051 55.415 55.300 0.106 0.000 1.030 274 M CB -0.449 32.192 32.600 0.068 0.000 1.424 274 M HN -0.069 nan 8.290 nan 0.000 0.486 275 F N 3.113 123.129 119.950 0.109 0.000 2.557 275 F HA 0.207 4.734 4.527 -0.000 0.000 0.384 275 F C 0.927 176.846 175.800 0.198 0.000 1.057 275 F CA -0.260 57.845 58.000 0.175 0.000 1.169 275 F CB 0.157 39.315 39.000 0.263 0.000 1.070 275 F HN 0.137 nan 8.300 nan 0.000 0.554 276 K N 5.329 125.885 120.400 0.261 0.000 2.443 276 K HA 0.363 4.683 4.320 -0.000 0.000 0.252 276 K C -0.474 176.080 176.600 -0.077 0.000 0.933 276 K CA -1.133 55.200 56.287 0.076 0.000 0.792 276 K CB 1.395 33.955 32.500 0.100 0.000 1.185 276 K HN 0.367 nan 8.250 nan 0.000 0.425 277 K N 1.733 121.985 120.400 -0.247 0.000 2.527 277 K HA 0.103 4.423 4.320 -0.000 0.000 0.278 277 K C 0.007 176.550 176.600 -0.095 0.000 0.981 277 K CA 0.260 56.388 56.287 -0.265 0.000 1.009 277 K CB 0.570 32.911 32.500 -0.266 0.000 0.895 277 K HN 0.775 nan 8.250 nan 0.000 0.493 278 R N 1.741 122.208 120.500 -0.055 0.000 2.604 278 R HA 0.067 4.407 4.340 -0.000 0.000 0.270 278 R C -1.105 175.182 176.300 -0.021 0.000 1.052 278 R CA -0.753 55.329 56.100 -0.029 0.000 0.902 278 R CB 1.339 31.626 30.300 -0.022 0.000 1.233 278 R HN 0.402 nan 8.270 nan 0.000 0.455 279 Q N 2.697 122.473 119.800 -0.041 0.000 2.300 279 Q HA 0.300 4.640 4.340 -0.000 0.000 0.280 279 Q C -1.550 174.446 176.000 -0.006 0.000 1.033 279 Q CA 0.440 56.227 55.803 -0.028 0.000 0.903 279 Q CB 0.700 29.413 28.738 -0.042 0.000 1.195 279 Q HN 0.447 nan 8.270 nan 0.000 0.386 280 L N 3.338 124.612 121.223 0.085 0.000 2.526 280 L HA 0.350 4.690 4.340 -0.000 0.000 0.263 280 L C -1.129 175.803 176.870 0.105 0.000 0.943 280 L CA -0.016 54.870 54.840 0.075 0.000 0.859 280 L CB 2.451 44.571 42.059 0.102 0.000 1.313 280 L HN 0.721 nan 8.230 nan 0.000 0.406 281 E N 3.767 123.990 120.200 0.039 0.000 1.936 281 E HA 0.271 4.621 4.350 -0.000 0.000 0.267 281 E C -1.004 175.618 176.600 0.036 0.000 1.076 281 E CA -0.595 55.839 56.400 0.056 0.000 0.870 281 E CB 0.983 30.762 29.700 0.130 0.000 1.093 281 E HN 0.291 nan 8.360 nan 0.000 0.411 282 L N 3.834 125.005 121.223 -0.086 0.000 2.305 282 L HA 0.269 4.609 4.340 -0.000 0.000 0.281 282 L C -1.455 175.256 176.870 -0.266 0.000 1.085 282 L CA -0.203 54.551 54.840 -0.143 0.000 0.813 282 L CB 0.217 42.065 42.059 -0.352 0.000 1.157 282 L HN 0.308 nan 8.230 nan 0.000 0.436 283 Y N 5.812 126.097 120.300 -0.024 0.000 2.326 283 Y HA 0.640 5.190 4.550 -0.000 0.000 0.329 283 Y C -0.773 175.094 175.900 -0.056 0.000 0.973 283 Y CA -0.574 57.498 58.100 -0.047 0.000 1.162 283 Y CB 1.880 40.321 38.460 -0.031 0.000 1.147 283 Y HN 0.553 nan 8.280 nan 0.000 0.456 284 L N 6.827 127.955 121.223 -0.157 0.000 2.431 284 L HA 0.736 5.076 4.340 -0.000 0.000 0.266 284 L C -2.947 173.759 176.870 -0.274 0.000 0.978 284 L CA -2.335 52.307 54.840 -0.330 0.000 0.822 284 L CB 2.380 44.033 42.059 -0.676 0.000 1.310 284 L HN 0.238 nan 8.230 nan 0.000 0.409 285 P HA 0.139 nan 4.420 nan 0.000 0.271 285 P C -1.669 175.717 177.300 0.143 0.000 1.218 285 P CA -0.252 62.880 63.100 0.054 0.000 0.780 285 P CB 0.411 32.187 31.700 0.127 0.000 0.901 286 K N 4.381 124.826 120.400 0.076 0.000 2.262 286 K HA 0.472 4.792 4.320 -0.000 0.000 0.282 286 K C -1.062 175.623 176.600 0.142 0.000 1.066 286 K CA -0.404 55.900 56.287 0.028 0.000 0.901 286 K CB -0.169 32.316 32.500 -0.024 0.000 1.089 286 K HN 0.454 nan 8.250 nan 0.000 0.476 287 F N -0.385 119.562 119.950 -0.004 0.000 2.686 287 F HA 0.543 5.070 4.527 -0.000 0.000 0.311 287 F C -1.435 174.347 175.800 -0.031 0.000 1.128 287 F CA -1.008 56.976 58.000 -0.027 0.000 0.946 287 F CB 1.462 40.441 39.000 -0.036 0.000 1.336 287 F HN 0.173 nan 8.300 nan 0.000 0.457 288 S N 2.291 118.038 115.700 0.079 0.000 2.502 288 S HA 0.769 5.239 4.470 -0.000 0.000 0.304 288 S C -1.227 173.410 174.600 0.061 0.000 1.097 288 S CA -0.639 57.540 58.200 -0.035 0.000 1.045 288 S CB 1.480 64.660 63.200 -0.034 0.000 1.019 288 S HN 0.805 nan 8.310 nan 0.000 0.481 289 I N 2.898 123.419 120.570 -0.082 0.000 2.769 289 I HA 0.605 4.775 4.170 -0.000 0.000 0.298 289 I C -1.456 174.480 176.117 -0.301 0.000 1.128 289 I CA -0.504 60.707 61.300 -0.147 0.000 1.031 289 I CB 1.839 39.747 38.000 -0.152 0.000 1.235 289 I HN 0.868 nan 8.210 nan 0.000 0.423 290 E N 5.010 125.154 120.200 -0.094 0.000 2.430 290 E HA 0.759 5.109 4.350 -0.000 0.000 0.279 290 E C -1.559 175.137 176.600 0.159 0.000 1.003 290 E CA -1.113 55.316 56.400 0.048 0.000 0.801 290 E CB 2.319 32.041 29.700 0.037 0.000 1.313 290 E HN 0.730 nan 8.360 nan 0.000 0.459 291 G N -0.019 108.912 108.800 0.218 0.000 2.731 291 G HA2 0.485 4.445 3.960 -0.000 0.000 0.298 291 G HA3 0.485 4.445 3.960 -0.000 0.000 0.298 291 G C -1.591 173.154 174.900 -0.259 0.000 1.424 291 G CA -0.542 44.560 45.100 0.004 0.000 1.029 291 G HN 0.367 nan 8.290 nan 0.000 0.518 292 S N 0.773 116.052 115.700 -0.702 0.000 2.647 292 S HA 0.799 5.269 4.470 -0.000 0.000 0.300 292 S C -1.481 172.706 174.600 -0.687 0.000 1.129 292 S CA -0.622 57.305 58.200 -0.456 0.000 1.029 292 S CB 0.496 63.568 63.200 -0.212 0.000 1.007 292 S HN 0.473 nan 8.310 nan 0.000 0.484 293 Y N 1.632 121.984 120.300 0.087 0.000 2.553 293 Y HA 0.475 5.025 4.550 -0.000 0.000 0.347 293 Y C 0.000 175.916 175.900 0.026 0.000 1.019 293 Y CA -1.057 57.066 58.100 0.038 0.000 1.032 293 Y CB 1.411 39.877 38.460 0.009 0.000 1.284 293 Y HN 0.402 nan 8.280 nan 0.000 0.466 294 Q N 3.037 122.918 119.800 0.135 0.000 2.571 294 Q HA 0.259 4.599 4.340 -0.000 0.000 0.222 294 Q C 0.745 176.727 176.000 -0.030 0.000 1.167 294 Q CA -0.024 55.798 55.803 0.031 0.000 0.966 294 Q CB 0.790 29.518 28.738 -0.017 0.000 1.274 294 Q HN 0.879 nan 8.270 nan 0.000 0.552 295 L N 1.237 122.448 121.223 -0.019 0.000 2.261 295 L HA -0.232 4.108 4.340 -0.000 0.000 0.216 295 L C 2.314 178.978 176.870 -0.344 0.000 1.114 295 L CA 1.106 55.880 54.840 -0.109 0.000 0.777 295 L CB -0.308 41.747 42.059 -0.007 0.000 0.910 295 L HN 0.525 nan 8.230 nan 0.000 0.440 296 E N 1.013 120.892 120.200 -0.535 0.000 2.338 296 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 296 E C 1.382 177.632 176.600 -0.583 0.000 1.007 296 E CA 1.024 56.766 56.400 -1.096 0.000 0.849 296 E CB -0.126 29.048 29.700 -0.877 0.000 0.774 296 E HN 0.491 nan 8.360 nan 0.000 0.506 297 K N 0.321 120.533 120.400 -0.313 0.000 2.393 297 K HA 0.123 4.443 4.320 -0.000 0.000 0.193 297 K C 1.623 178.134 176.600 -0.148 0.000 1.026 297 K CA 0.379 56.556 56.287 -0.184 0.000 1.064 297 K CB 0.899 33.330 32.500 -0.114 0.000 0.833 297 K HN 0.017 nan 8.250 nan 0.000 0.521 298 V N -0.063 119.748 119.914 -0.172 0.000 3.250 298 V HA 0.049 4.169 4.120 -0.000 0.000 0.240 298 V C 1.434 177.475 176.094 -0.089 0.000 1.275 298 V CA 0.239 62.458 62.300 -0.136 0.000 1.206 298 V CB 0.203 31.916 31.823 -0.184 0.000 0.976 298 V HN 0.140 nan 8.190 nan 0.000 0.467 299 L N 0.900 122.083 121.223 -0.067 0.000 2.079 299 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 299 L C -0.301 176.656 176.870 0.145 0.000 1.081 299 L CA 1.956 56.854 54.840 0.096 0.000 0.752 299 L CB -1.732 40.488 42.059 0.269 0.000 0.896 299 L HN 0.356 nan 8.230 nan 0.000 0.433 300 P HA -0.196 nan 4.420 nan 0.000 0.215 300 P C 1.836 179.183 177.300 0.079 0.000 1.157 300 P CA 1.921 65.104 63.100 0.138 0.000 0.868 300 P CB -0.069 31.689 31.700 0.096 0.000 0.788 301 S N -1.074 114.647 115.700 0.035 0.000 2.500 301 S HA -0.088 4.382 4.470 -0.000 0.000 0.239 301 S C 1.457 176.077 174.600 0.033 0.000 0.989 301 S CA 0.972 59.184 58.200 0.021 0.000 0.951 301 S CB -1.344 61.851 63.200 -0.009 0.000 0.759 301 S HN 0.108 nan 8.310 nan 0.000 0.523 302 L N 0.161 121.419 121.223 0.059 0.000 2.667 302 L HA 0.454 4.794 4.340 -0.000 0.000 0.232 302 L C 1.810 178.746 176.870 0.110 0.000 1.138 302 L CA 0.248 55.140 54.840 0.085 0.000 0.921 302 L CB -0.238 41.888 42.059 0.112 0.000 1.180 302 L HN 0.564 nan 8.230 nan 0.000 0.487 303 G N 0.893 109.748 108.800 0.091 0.000 2.307 303 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.210 303 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.210 303 G C 0.307 175.251 174.900 0.074 0.000 1.005 303 G CA -0.456 44.689 45.100 0.074 0.000 0.634 303 G HN 0.199 nan 8.290 nan 0.000 0.496 304 I N 3.415 124.052 120.570 0.111 0.000 2.241 304 I HA 0.342 4.512 4.170 -0.000 0.000 0.294 304 I C 1.501 177.725 176.117 0.178 0.000 1.145 304 I CA 0.490 61.846 61.300 0.094 0.000 1.261 304 I CB 0.824 38.891 38.000 0.112 0.000 1.475 304 I HN 0.308 nan 8.210 nan 0.000 0.533 305 S N 2.085 117.853 115.700 0.114 0.000 2.731 305 S HA 0.031 4.501 4.470 -0.000 0.000 0.244 305 S C 1.489 176.150 174.600 0.102 0.000 1.084 305 S CA -0.137 58.172 58.200 0.183 0.000 0.877 305 S CB -0.084 63.196 63.200 0.133 0.000 0.798 305 S HN 0.468 nan 8.310 nan 0.000 0.496 306 N N 2.565 121.278 118.700 0.023 0.000 2.036 306 N HA -0.134 4.606 4.740 -0.000 0.000 0.199 306 N C 1.733 177.201 175.510 -0.070 0.000 1.036 306 N CA 1.655 54.707 53.050 0.003 0.000 0.870 306 N CB -1.259 37.216 38.487 -0.020 0.000 1.055 306 N HN 0.283 nan 8.380 nan 0.000 0.436 307 V N -0.097 119.681 119.914 -0.226 0.000 2.527 307 V HA -0.219 3.901 4.120 -0.000 0.000 0.255 307 V C 0.907 176.785 176.094 -0.359 0.000 1.081 307 V CA 1.599 63.682 62.300 -0.362 0.000 1.092 307 V CB -0.526 30.952 31.823 -0.575 0.000 0.673 307 V HN 0.242 nan 8.190 nan 0.000 0.470 308 F N 0.571 120.519 119.950 -0.003 0.000 2.765 308 F HA 0.245 4.772 4.527 -0.000 0.000 0.302 308 F C 1.225 177.012 175.800 -0.021 0.000 1.111 308 F CA 0.415 58.409 58.000 -0.010 0.000 1.359 308 F CB -0.681 38.317 39.000 -0.004 0.000 1.097 308 F HN 0.298 nan 8.300 nan 0.000 0.577 309 T N -3.750 110.864 114.554 0.100 0.000 2.940 309 T HA 0.298 4.648 4.350 -0.000 0.000 0.288 309 T C 1.311 175.966 174.700 -0.074 0.000 1.045 309 T CA -0.091 62.021 62.100 0.021 0.000 1.018 309 T CB 1.581 70.483 68.868 0.057 0.000 1.151 309 T HN 0.011 nan 8.240 nan 0.000 0.529 310 S N -0.043 115.532 115.700 -0.209 0.000 2.442 310 S HA -0.181 4.289 4.470 -0.000 0.000 0.236 310 S C 1.372 175.832 174.600 -0.234 0.000 1.007 310 S CA 0.724 58.779 58.200 -0.243 0.000 0.965 310 S CB -0.927 62.086 63.200 -0.311 0.000 0.773 310 S HN 0.821 nan 8.310 nan 0.000 0.504 311 H N 1.969 121.032 119.070 -0.012 0.000 2.556 311 H HA 0.488 5.044 4.556 -0.000 0.000 0.268 311 H C 1.239 176.546 175.328 -0.035 0.000 0.996 311 H CA 0.339 56.374 56.048 -0.022 0.000 1.157 311 H CB -0.927 28.825 29.762 -0.015 0.000 1.355 311 H HN 0.580 nan 8.280 nan 0.000 0.597 312 A N 1.405 124.240 122.820 0.025 0.000 2.507 312 A HA 0.013 4.333 4.320 -0.000 0.000 0.235 312 A C 0.340 177.904 177.584 -0.034 0.000 1.070 312 A CA 0.050 52.073 52.037 -0.022 0.000 0.768 312 A CB 0.219 19.182 19.000 -0.063 0.000 1.011 312 A HN 0.230 nan 8.150 nan 0.000 0.502 313 D N 1.820 122.188 120.400 -0.055 0.000 2.446 313 D HA 0.429 5.069 4.640 -0.000 0.000 0.251 313 D C -0.492 175.754 176.300 -0.091 0.000 1.137 313 D CA -0.126 53.838 54.000 -0.060 0.000 0.890 313 D CB 0.502 41.273 40.800 -0.049 0.000 1.071 313 D HN 0.392 nan 8.370 nan 0.000 0.528 314 L N 2.843 124.005 121.223 -0.101 0.000 3.218 314 L HA 0.070 4.410 4.340 -0.000 0.000 0.279 314 L C 1.942 178.717 176.870 -0.159 0.000 1.287 314 L CA -0.157 54.592 54.840 -0.152 0.000 1.024 314 L CB 0.383 42.348 42.059 -0.156 0.000 1.409 314 L HN 0.242 nan 8.230 nan 0.000 0.580 315 S N -0.795 114.839 115.700 -0.110 0.000 2.440 315 S HA -0.168 4.302 4.470 -0.000 0.000 0.240 315 S C 1.927 176.462 174.600 -0.108 0.000 1.014 315 S CA 1.268 59.416 58.200 -0.087 0.000 0.980 315 S CB -0.474 62.691 63.200 -0.059 0.000 0.775 315 S HN 0.531 nan 8.310 nan 0.000 0.499 316 G N 0.950 109.656 108.800 -0.157 0.000 2.572 316 G HA2 0.169 4.129 3.960 -0.000 0.000 0.216 316 G HA3 0.169 4.129 3.960 -0.000 0.000 0.216 316 G C 1.278 176.013 174.900 -0.275 0.000 1.133 316 G CA 0.454 45.459 45.100 -0.159 0.000 0.791 316 G HN 0.573 nan 8.290 nan 0.000 0.538 317 I N -0.745 119.559 120.570 -0.443 0.000 2.429 317 I HA 0.139 4.309 4.170 -0.000 0.000 0.247 317 I C 1.000 177.018 176.117 -0.165 0.000 1.099 317 I CA 0.563 61.524 61.300 -0.565 0.000 1.422 317 I CB 0.360 37.967 38.000 -0.655 0.000 1.112 317 I HN 0.179 nan 8.210 nan 0.000 0.430 318 S N 0.497 116.131 115.700 -0.110 0.000 2.537 318 S HA 0.185 4.655 4.470 -0.000 0.000 0.271 318 S C -0.410 174.191 174.600 0.000 0.000 1.148 318 S CA -0.822 57.368 58.200 -0.016 0.000 0.868 318 S CB 1.128 64.343 63.200 0.024 0.000 1.115 318 S HN 0.349 nan 8.310 nan 0.000 0.461 319 N N 2.356 121.073 118.700 0.027 0.000 2.295 319 N HA 0.050 4.790 4.740 -0.000 0.000 0.221 319 N C -0.148 175.391 175.510 0.047 0.000 1.129 319 N CA -0.160 52.901 53.050 0.018 0.000 0.836 319 N CB -0.532 37.961 38.487 0.010 0.000 1.040 319 N HN 0.699 nan 8.380 nan 0.000 0.494 320 H N 1.042 120.099 119.070 -0.022 0.000 2.722 320 H HA 0.169 4.725 4.556 -0.000 0.000 0.328 320 H C 1.470 176.788 175.328 -0.017 0.000 1.067 320 H CA 0.292 56.333 56.048 -0.012 0.000 1.447 320 H CB 1.279 31.038 29.762 -0.004 0.000 1.469 320 H HN 0.173 nan 8.280 nan 0.000 0.544 321 S N 3.137 118.553 115.700 -0.472 0.000 2.348 321 S HA -0.182 4.288 4.470 -0.000 0.000 0.221 321 S C 1.085 175.526 174.600 -0.265 0.000 1.033 321 S CA 1.152 59.164 58.200 -0.313 0.000 1.010 321 S CB -0.104 62.936 63.200 -0.267 0.000 0.891 321 S HN 0.771 nan 8.310 nan 0.000 0.442 322 N N 1.909 120.373 118.700 -0.395 0.000 2.542 322 N HA 0.266 5.006 4.740 -0.000 0.000 0.234 322 N C -0.307 175.236 175.510 0.055 0.000 1.257 322 N CA 0.077 53.063 53.050 -0.108 0.000 0.883 322 N CB -0.170 38.298 38.487 -0.031 0.000 1.197 322 N HN 0.585 nan 8.380 nan 0.000 0.488 323 I N 1.162 121.761 120.570 0.049 0.000 2.440 323 I HA 0.116 4.286 4.170 -0.000 0.000 0.294 323 I C -0.429 175.693 176.117 0.009 0.000 0.995 323 I CA -0.327 61.017 61.300 0.073 0.000 1.306 323 I CB 0.782 38.820 38.000 0.063 0.000 1.407 323 I HN 0.202 nan 8.210 nan 0.000 0.501 324 Q N 5.145 124.954 119.800 0.015 0.000 2.686 324 Q HA 0.263 4.603 4.340 -0.000 0.000 0.266 324 Q C -2.144 173.874 176.000 0.031 0.000 0.965 324 Q CA -0.954 54.848 55.803 -0.001 0.000 0.894 324 Q CB 1.377 30.114 28.738 -0.002 0.000 1.583 324 Q HN 0.377 nan 8.270 nan 0.000 0.405 325 V N 3.242 123.183 119.914 0.046 0.000 2.446 325 V HA 0.057 4.177 4.120 -0.000 0.000 0.276 325 V C 0.731 176.932 176.094 0.179 0.000 1.030 325 V CA 0.741 63.118 62.300 0.129 0.000 1.033 325 V CB 0.903 32.836 31.823 0.183 0.000 0.993 325 V HN 0.943 nan 8.190 nan 0.000 0.477 326 S N 3.710 119.454 115.700 0.074 0.000 2.406 326 S HA 0.096 4.566 4.470 -0.000 0.000 0.224 326 S C 0.482 175.087 174.600 0.007 0.000 1.030 326 S CA 0.531 58.735 58.200 0.006 0.000 0.958 326 S CB 0.117 63.245 63.200 -0.121 0.000 0.811 326 S HN 0.860 nan 8.310 nan 0.000 0.489 327 E N -0.264 119.956 120.200 0.033 0.000 2.352 327 E HA 0.406 4.756 4.350 -0.000 0.000 0.280 327 E C -1.355 175.307 176.600 0.104 0.000 0.930 327 E CA -0.179 56.234 56.400 0.022 0.000 0.765 327 E CB 2.212 31.902 29.700 -0.015 0.000 1.219 327 E HN 0.094 nan 8.360 nan 0.000 0.434 328 M N 3.476 123.131 119.600 0.092 0.000 1.999 328 M HA 0.333 4.813 4.480 -0.000 0.000 0.299 328 M C -1.963 174.422 176.300 0.141 0.000 0.900 328 M CA -0.618 54.781 55.300 0.165 0.000 0.904 328 M CB 0.915 33.663 32.600 0.247 0.000 1.477 328 M HN 0.233 nan 8.290 nan 0.000 0.403 329 V N 3.871 123.885 119.914 0.167 0.000 2.439 329 V HA 0.373 4.493 4.120 -0.000 0.000 0.282 329 V C -0.703 175.544 176.094 0.256 0.000 1.039 329 V CA -0.427 61.979 62.300 0.177 0.000 0.913 329 V CB 1.226 33.130 31.823 0.133 0.000 0.983 329 V HN 0.798 nan 8.190 nan 0.000 0.460 330 H N 4.154 123.333 119.070 0.182 0.000 2.589 330 H HA 0.649 5.205 4.556 -0.000 0.000 0.351 330 H C -0.707 174.767 175.328 0.242 0.000 1.074 330 H CA -0.668 55.515 56.048 0.224 0.000 1.203 330 H CB 1.414 31.318 29.762 0.236 0.000 1.558 330 H HN 0.629 nan 8.280 nan 0.000 0.522 331 K N 4.090 124.252 120.400 -0.397 0.000 2.507 331 K HA 0.755 5.075 4.320 -0.000 0.000 0.251 331 K C -1.892 174.600 176.600 -0.181 0.000 0.943 331 K CA -0.831 55.333 56.287 -0.206 0.000 0.794 331 K CB 1.410 33.908 32.500 -0.002 0.000 1.188 331 K HN 0.654 nan 8.250 nan 0.000 0.428 332 A N 3.127 125.979 122.820 0.054 0.000 2.355 332 A HA 0.731 5.051 4.320 -0.000 0.000 0.317 332 A C -1.366 176.475 177.584 0.428 0.000 1.094 332 A CA -0.666 51.582 52.037 0.351 0.000 0.764 332 A CB 1.658 20.993 19.000 0.559 0.000 1.230 332 A HN 0.390 nan 8.150 nan 0.000 0.448 333 V N 2.048 122.166 119.914 0.340 0.000 2.709 333 V HA 0.685 4.805 4.120 -0.000 0.000 0.308 333 V C -0.674 175.340 176.094 -0.133 0.000 1.062 333 V CA -0.493 61.892 62.300 0.141 0.000 0.901 333 V CB 1.736 33.726 31.823 0.278 0.000 1.003 333 V HN 0.777 nan 8.190 nan 0.000 0.425 334 V N 3.546 123.221 119.914 -0.398 0.000 2.971 334 V HA 0.557 4.677 4.120 -0.000 0.000 0.309 334 V C -0.913 174.944 176.094 -0.395 0.000 1.130 334 V CA -0.623 61.385 62.300 -0.487 0.000 0.964 334 V CB 2.613 34.086 31.823 -0.584 0.000 1.029 334 V HN 0.986 nan 8.190 nan 0.000 0.427 335 E N 1.974 121.968 120.200 -0.343 0.000 2.234 335 E HA 0.690 5.040 4.350 -0.000 0.000 0.266 335 E C -1.603 174.823 176.600 -0.290 0.000 0.877 335 E CA -0.584 55.644 56.400 -0.288 0.000 0.758 335 E CB 2.771 32.370 29.700 -0.170 0.000 1.170 335 E HN 0.370 nan 8.360 nan 0.000 0.415 336 V N 3.516 123.190 119.914 -0.400 0.000 2.444 336 V HA 0.319 4.438 4.120 -0.000 0.000 0.294 336 V C -0.654 175.381 176.094 -0.097 0.000 1.022 336 V CA -0.469 61.693 62.300 -0.230 0.000 0.850 336 V CB 1.335 32.868 31.823 -0.483 0.000 0.992 336 V HN 0.804 nan 8.190 nan 0.000 0.426 337 D N 2.512 122.986 120.400 0.124 0.000 2.904 337 D HA 0.408 5.048 4.640 -0.000 0.000 0.290 337 D C 0.502 177.027 176.300 0.375 0.000 1.180 337 D CA -0.606 53.480 54.000 0.142 0.000 1.065 337 D CB 1.009 41.849 40.800 0.067 0.000 1.386 337 D HN 0.185 nan 8.370 nan 0.000 0.599 338 E N -0.364 120.009 120.200 0.287 0.000 2.216 338 E HA 0.138 4.488 4.350 -0.000 0.000 0.192 338 E C 0.114 177.003 176.600 0.481 0.000 0.988 338 E CA 0.414 57.073 56.400 0.431 0.000 0.834 338 E CB -0.138 29.708 29.700 0.243 0.000 0.772 338 E HN 0.295 nan 8.360 nan 0.000 0.479 339 S N 1.133 117.022 115.700 0.316 0.000 2.885 339 S HA 0.251 4.720 4.470 -0.000 0.000 0.334 339 S C 0.322 175.089 174.600 0.279 0.000 1.224 339 S CA 0.383 58.723 58.200 0.232 0.000 1.080 339 S CB 0.150 63.419 63.200 0.115 0.000 0.801 339 S HN 0.342 nan 8.310 nan 0.000 0.510 340 G N 2.368 111.313 108.800 0.240 0.000 2.714 340 G HA2 0.488 4.448 3.960 -0.000 0.000 0.292 340 G HA3 0.488 4.448 3.960 -0.000 0.000 0.292 340 G C 0.631 175.615 174.900 0.139 0.000 1.308 340 G CA -0.622 44.617 45.100 0.232 0.000 0.964 340 G HN 0.485 nan 8.290 nan 0.000 0.484 341 T N -0.700 113.929 114.554 0.126 0.000 2.809 341 T HA 0.021 4.370 4.350 -0.000 0.000 0.260 341 T C 1.229 175.968 174.700 0.065 0.000 1.039 341 T CA 0.834 62.986 62.100 0.086 0.000 1.141 341 T CB -0.066 68.853 68.868 0.085 0.000 0.869 341 T HN 0.422 nan 8.240 nan 0.000 0.437 342 R N 1.040 121.576 120.500 0.060 0.000 2.445 342 R HA 0.628 4.968 4.340 -0.000 0.000 0.308 342 R C -0.517 175.802 176.300 0.030 0.000 0.961 342 R CA -0.601 55.521 56.100 0.036 0.000 0.862 342 R CB 0.967 31.280 30.300 0.022 0.000 1.144 342 R HN 0.229 nan 8.270 nan 0.000 0.447 343 A N 3.041 125.876 122.820 0.025 0.000 2.492 343 A HA 0.349 4.669 4.320 -0.000 0.000 0.236 343 A C 0.107 177.692 177.584 0.002 0.000 1.078 343 A CA 0.317 52.368 52.037 0.023 0.000 0.773 343 A CB 0.103 19.111 19.000 0.013 0.000 1.023 343 A HN 0.918 nan 8.150 nan 0.000 0.504 344 A N 0.705 123.526 122.820 0.002 0.000 2.425 344 A HA 0.539 4.859 4.320 -0.000 0.000 0.249 344 A C 0.711 178.279 177.584 -0.027 0.000 1.084 344 A CA 0.250 52.269 52.037 -0.029 0.000 0.781 344 A CB -0.167 18.819 19.000 -0.024 0.000 1.019 344 A HN 2.166 nan 8.150 nan 0.000 0.490 345 A N 2.023 124.815 122.820 -0.046 0.000 2.309 345 A HA 0.576 4.896 4.320 -0.000 0.000 0.290 345 A C 0.732 178.294 177.584 -0.036 0.000 1.206 345 A CA 0.175 52.188 52.037 -0.040 0.000 0.850 345 A CB -0.304 18.665 19.000 -0.050 0.000 1.118 345 A HN 2.043 nan 8.150 nan 0.000 0.523 346 A N 3.645 126.451 122.820 -0.024 0.000 2.491 346 A HA 0.408 4.728 4.320 -0.000 0.000 0.261 346 A C 1.408 178.974 177.584 -0.030 0.000 1.101 346 A CA 0.465 52.489 52.037 -0.021 0.000 0.772 346 A CB -0.432 18.561 19.000 -0.012 0.000 1.043 346 A HN 0.921 nan 8.150 nan 0.000 0.501 347 T N 2.458 116.991 114.554 -0.035 0.000 2.544 347 T HA 0.197 4.547 4.350 -0.000 0.000 0.264 347 T C 1.320 175.990 174.700 -0.049 0.000 1.096 347 T CA 2.100 64.173 62.100 -0.046 0.000 1.181 347 T CB -0.847 67.992 68.868 -0.049 0.000 0.864 347 T HN 2.357 nan 8.240 nan 0.000 0.415 348 G N -0.045 108.725 108.800 -0.049 0.000 2.631 348 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.504 348 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.504 348 G C -0.361 174.479 174.900 -0.099 0.000 1.306 348 G CA -0.450 44.619 45.100 -0.052 0.000 0.897 348 G HN 0.453 nan 8.290 nan 0.000 0.520 349 T N 0.522 115.002 114.554 -0.123 0.000 2.739 349 T HA 0.619 4.969 4.350 -0.000 0.000 0.298 349 T C 1.143 175.570 174.700 -0.454 0.000 0.929 349 T CA 0.794 62.723 62.100 -0.286 0.000 1.014 349 T CB 0.163 68.870 68.868 -0.268 0.000 0.914 349 T HN 1.748 nan 8.240 nan 0.000 0.509 350 I N 2.811 123.116 120.570 -0.442 0.000 2.581 350 I HA 0.766 4.935 4.170 -0.000 0.000 0.288 350 I C -0.195 175.542 176.117 -0.634 0.000 1.047 350 I CA -0.866 60.212 61.300 -0.370 0.000 1.374 350 I CB -0.140 37.738 38.000 -0.203 0.000 1.423 350 I HN 0.739 nan 8.210 nan 0.000 0.549 351 F N 4.623 124.515 119.950 -0.095 0.000 2.676 351 F HA 0.577 5.104 4.527 -0.000 0.000 0.371 351 F C 0.586 176.254 175.800 -0.221 0.000 1.141 351 F CA -0.375 57.542 58.000 -0.137 0.000 1.133 351 F CB 1.687 40.612 39.000 -0.125 0.000 1.376 351 F HN 0.855 nan 8.300 nan 0.000 0.491 352 T N -2.108 112.372 114.554 -0.122 0.000 2.716 352 T HA 0.711 5.061 4.350 -0.000 0.000 0.286 352 T C -0.453 174.064 174.700 -0.305 0.000 1.052 352 T CA -0.704 61.236 62.100 -0.267 0.000 1.024 352 T CB 1.505 70.305 68.868 -0.113 0.000 1.349 352 T HN -0.046 nan 8.240 nan 0.000 0.525 359 N N 0.079 118.767 118.700 -0.020 0.000 2.371 359 N HA 0.255 4.995 4.740 -0.000 0.000 0.280 359 N C -1.349 174.142 175.510 -0.030 0.000 1.084 359 N CA -0.238 52.797 53.050 -0.025 0.000 0.892 359 N CB 2.422 40.895 38.487 -0.023 0.000 1.653 359 N HN 0.401 nan 8.380 nan 0.000 0.480 360 S N 0.458 116.140 115.700 -0.031 0.000 2.560 360 S HA -0.088 4.382 4.470 -0.000 0.000 0.276 360 S C 0.249 174.820 174.600 -0.047 0.000 1.350 360 S CA 0.125 58.303 58.200 -0.037 0.000 1.024 360 S CB 0.438 63.622 63.200 -0.026 0.000 0.864 360 S HN 0.481 nan 8.310 nan 0.000 0.536 361 Q N 1.782 121.536 119.800 -0.077 0.000 2.304 361 Q HA 0.274 4.613 4.340 -0.000 0.000 0.260 361 Q C -0.141 175.808 176.000 -0.085 0.000 0.965 361 Q CA -0.201 55.534 55.803 -0.113 0.000 0.898 361 Q CB 0.543 29.154 28.738 -0.212 0.000 1.196 361 Q HN 0.604 nan 8.270 nan 0.000 0.402 362 R N 3.812 124.272 120.500 -0.067 0.000 2.589 362 R HA 0.558 4.898 4.340 -0.000 0.000 0.293 362 R C -1.829 174.440 176.300 -0.052 0.000 0.963 362 R CA -0.721 55.371 56.100 -0.013 0.000 0.905 362 R CB 0.908 31.214 30.300 0.010 0.000 1.144 362 R HN 0.568 nan 8.270 nan 0.000 0.459 363 L N 5.537 126.753 121.223 -0.012 0.000 2.446 363 L HA 0.372 4.712 4.340 -0.000 0.000 0.268 363 L C -1.571 175.272 176.870 -0.045 0.000 0.975 363 L CA -0.604 54.178 54.840 -0.097 0.000 0.848 363 L CB 1.889 43.883 42.059 -0.108 0.000 1.225 363 L HN 0.450 nan 8.230 nan 0.000 0.410 364 V N 3.900 123.731 119.914 -0.138 0.000 2.448 364 V HA 0.572 4.692 4.120 -0.000 0.000 0.295 364 V C -0.888 175.085 176.094 -0.202 0.000 1.025 364 V CA -0.252 62.022 62.300 -0.045 0.000 0.859 364 V CB 1.426 33.190 31.823 -0.098 0.000 0.988 364 V HN 0.576 nan 8.190 nan 0.000 0.431 365 F N 7.187 127.069 119.950 -0.112 0.000 2.567 365 F HA 0.405 4.932 4.527 -0.000 0.000 0.352 365 F C 1.083 176.905 175.800 0.037 0.000 1.229 365 F CA -0.448 57.447 58.000 -0.176 0.000 1.228 365 F CB 0.135 38.762 39.000 -0.621 0.000 1.568 365 F HN 0.827 nan 8.300 nan 0.000 0.634 366 N N 1.046 119.782 118.700 0.060 0.000 2.235 366 N HA 0.174 4.914 4.740 -0.000 0.000 0.231 366 N C -0.118 175.040 175.510 -0.588 0.000 1.177 366 N CA -0.330 52.704 53.050 -0.026 0.000 0.874 366 N CB 0.383 38.916 38.487 0.075 0.000 1.097 366 N HN 0.297 nan 8.380 nan 0.000 0.518 367 R N -0.444 119.768 120.500 -0.480 0.000 2.836 367 R HA 0.506 4.846 4.340 -0.000 0.000 0.269 367 R C -2.937 173.331 176.300 -0.055 0.000 1.010 367 R CA -2.076 53.748 56.100 -0.460 0.000 0.930 367 R CB 1.081 31.289 30.300 -0.153 0.000 1.218 367 R HN -0.026 nan 8.270 nan 0.000 0.473 368 P HA -0.057 nan 4.420 nan 0.000 0.264 368 P C -1.158 176.406 177.300 0.440 0.000 1.183 368 P CA 0.561 63.877 63.100 0.360 0.000 0.763 368 P CB 0.217 32.048 31.700 0.219 0.000 0.807 369 F N 1.741 121.890 119.950 0.332 0.000 2.629 369 F HA 0.701 5.228 4.527 -0.000 0.000 0.316 369 F C -1.630 174.374 175.800 0.341 0.000 1.081 369 F CA -1.619 56.601 58.000 0.368 0.000 0.954 369 F CB 0.525 39.858 39.000 0.555 0.000 1.337 369 F HN -0.082 nan 8.300 nan 0.000 0.474 370 L N 2.928 124.458 121.223 0.513 0.000 2.360 370 L HA 0.605 4.945 4.340 -0.000 0.000 0.271 370 L C -0.331 176.882 176.870 0.571 0.000 1.057 370 L CA -0.859 54.220 54.840 0.399 0.000 0.803 370 L CB 1.503 43.808 42.059 0.410 0.000 1.207 370 L HN 0.926 nan 8.230 nan 0.000 0.445 371 M N 2.026 121.878 119.600 0.419 0.000 2.326 371 M HA 0.547 5.027 4.480 -0.000 0.000 0.292 371 M C -1.960 174.505 176.300 0.275 0.000 1.081 371 M CA -0.310 55.260 55.300 0.451 0.000 0.919 371 M CB 1.804 34.739 32.600 0.558 0.000 1.634 371 M HN 0.297 nan 8.290 nan 0.000 0.451 372 F N 4.476 124.483 119.950 0.096 0.000 2.546 372 F HA 0.657 5.184 4.527 -0.000 0.000 0.320 372 F C -0.449 175.403 175.800 0.086 0.000 1.076 372 F CA -0.639 57.415 58.000 0.090 0.000 0.928 372 F CB 1.964 41.040 39.000 0.127 0.000 1.189 372 F HN 0.388 nan 8.300 nan 0.000 0.465 373 I N 3.947 124.686 120.570 0.281 0.000 2.476 373 I HA 0.400 4.570 4.170 -0.000 0.000 0.281 373 I C -1.222 175.016 176.117 0.202 0.000 1.040 373 I CA -0.869 60.591 61.300 0.268 0.000 1.094 373 I CB 1.567 39.702 38.000 0.225 0.000 1.219 373 I HN 0.360 nan 8.210 nan 0.000 0.450 374 V N 2.124 122.178 119.914 0.233 0.000 2.628 374 V HA 0.691 4.811 4.120 -0.000 0.000 0.306 374 V C -0.757 175.434 176.094 0.161 0.000 1.045 374 V CA -0.310 62.091 62.300 0.169 0.000 0.905 374 V CB 2.316 34.239 31.823 0.166 0.000 0.997 374 V HN 0.740 nan 8.190 nan 0.000 0.436 375 D N 2.843 123.307 120.400 0.107 0.000 2.668 375 D HA 0.296 4.936 4.640 -0.000 0.000 0.247 375 D C 0.454 176.779 176.300 0.041 0.000 1.268 375 D CA 0.289 54.332 54.000 0.072 0.000 0.842 375 D CB 0.451 41.297 40.800 0.076 0.000 1.399 375 D HN 0.979 nan 8.370 nan 0.000 0.530 376 N N 0.726 119.448 118.700 0.037 0.000 2.319 376 N HA -0.191 4.549 4.740 -0.000 0.000 0.215 376 N C 0.082 175.608 175.510 0.025 0.000 1.091 376 N CA 1.268 54.331 53.050 0.022 0.000 2.762 376 N CB -0.575 37.917 38.487 0.008 0.000 0.823 376 N HN 0.398 nan 8.380 nan 0.000 0.453 377 N N 0.675 119.392 118.700 0.027 0.000 2.457 377 N HA 0.462 5.202 4.740 -0.000 0.000 0.290 377 N C -0.737 174.781 175.510 0.013 0.000 1.232 377 N CA -0.425 52.637 53.050 0.020 0.000 0.852 377 N CB 1.245 39.740 38.487 0.013 0.000 1.313 377 N HN 0.062 nan 8.380 nan 0.000 0.522 378 I N 2.823 123.385 120.570 -0.013 0.000 2.243 378 I HA 0.005 4.175 4.170 -0.000 0.000 0.297 378 I C 1.200 177.199 176.117 -0.196 0.000 1.161 378 I CA -0.248 61.023 61.300 -0.047 0.000 1.298 378 I CB 0.276 38.235 38.000 -0.068 0.000 1.475 378 I HN 0.313 nan 8.210 nan 0.000 0.561 379 L N 6.125 127.218 121.223 -0.217 0.000 2.042 379 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 379 L C 0.152 176.449 176.870 -0.954 0.000 1.076 379 L CA 1.944 56.474 54.840 -0.516 0.000 0.749 379 L CB -0.505 41.296 42.059 -0.429 0.000 0.893 379 L HN 0.308 nan 8.230 nan 0.000 0.432 380 F N -2.305 117.448 119.950 -0.329 0.000 2.613 380 F HA 0.620 5.147 4.527 -0.000 0.000 0.310 380 F C -0.628 174.810 175.800 -0.603 0.000 1.085 380 F CA -1.209 56.467 58.000 -0.541 0.000 0.945 380 F CB 1.815 40.523 39.000 -0.486 0.000 1.298 380 F HN -0.418 nan 8.300 nan 0.000 0.455 381 L N 1.373 122.182 121.223 -0.689 0.000 2.493 381 L HA 0.938 5.278 4.340 -0.000 0.000 0.265 381 L C -0.807 175.762 176.870 -0.502 0.000 0.954 381 L CA -0.025 54.356 54.840 -0.764 0.000 0.844 381 L CB 1.861 43.286 42.059 -1.056 0.000 1.302 381 L HN 0.744 nan 8.230 nan 0.000 0.405 382 G N 2.762 111.485 108.800 -0.128 0.000 2.550 382 G HA2 0.450 4.410 3.960 -0.000 0.000 0.293 382 G HA3 0.450 4.410 3.960 -0.000 0.000 0.293 382 G C -2.146 172.921 174.900 0.277 0.000 1.402 382 G CA -0.758 44.500 45.100 0.263 0.000 0.784 382 G HN 0.567 nan 8.290 nan 0.000 0.482 383 K N 0.452 121.043 120.400 0.318 0.000 2.463 383 K HA 0.541 4.861 4.320 -0.000 0.000 0.255 383 K C -1.151 175.432 176.600 -0.028 0.000 0.942 383 K CA -0.556 55.832 56.287 0.169 0.000 0.814 383 K CB 2.147 34.828 32.500 0.302 0.000 1.122 383 K HN 0.249 nan 8.250 nan 0.000 0.425 384 V N 5.632 125.319 119.914 -0.378 0.000 2.322 384 V HA 0.069 4.189 4.120 -0.000 0.000 0.258 384 V C 1.167 177.078 176.094 -0.305 0.000 1.074 384 V CA -0.389 61.557 62.300 -0.590 0.000 0.909 384 V CB 0.502 31.461 31.823 -1.441 0.000 1.090 384 V HN 0.805 nan 8.190 nan 0.000 0.486 385 N N 3.348 121.995 118.700 -0.087 0.000 2.395 385 N HA 0.044 4.784 4.740 -0.000 0.000 0.175 385 N C 0.744 176.328 175.510 0.123 0.000 1.029 385 N CA 0.371 53.470 53.050 0.082 0.000 0.897 385 N CB 0.404 38.940 38.487 0.082 0.000 0.991 385 N HN 0.388 nan 8.380 nan 0.000 0.441 386 R N 1.148 121.597 120.500 -0.085 0.000 2.695 386 R HA 0.339 4.679 4.340 -0.000 0.000 0.288 386 R C -2.738 173.370 176.300 -0.321 0.000 1.344 386 R CA -1.387 54.603 56.100 -0.183 0.000 1.005 386 R CB 1.311 31.587 30.300 -0.040 0.000 1.233 386 R HN -0.031 nan 8.270 nan 0.000 0.442 387 P HA 0.000 nan 4.420 nan 0.000 0.216 387 P CA 0.000 62.872 63.100 -0.380 0.000 0.800 387 P CB 0.000 31.427 31.700 -0.455 0.000 0.726