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 1ado_1_B DATA FIRST_RESID 1 DATA SEQUENCE PHSHPALTPE QKKELSDIAH RIVAPGKGIL AADESTGSIA KRLQSIGTEN DATA SEQUENCE TEENRRFYRQ LLLTADDRVN PCIGGVILFH ETLYQKADDG RPFPQVIKSK DATA SEQUENCE GGVVGIKVDK GVVPLAGTNG ETTTQGLDGL SERCAQYKKD GADFAKWRCV DATA SEQUENCE LKIGEHTPSA LAIMENANVL ARYASICQQN GIVPIVEPEI LPDGDHDLKR DATA SEQUENCE CQYVTEKVLA AVYKALSDHH IYLEGTLLKP NMVTPGHACT QKYSHEEIAM DATA SEQUENCE ATVTALRRTV PPAVTGVTFL SGGQSEEEAS INLNAINKCP LLKPWALTFS DATA SEQUENCE YGRALQASAL KAWGGKKENL KAAQEEYVKR ALANSLACQG KYTSSGQAGA DATA SEQUENCE AASESLFISN HAY 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.223 177.300 -0.129 0.000 1.155 1 P CA 0.000 63.103 63.100 0.005 0.000 0.800 1 P CB 0.000 31.730 31.700 0.049 0.000 0.726 2 H N -0.320 118.767 119.070 0.029 0.000 2.572 2 H HA 0.375 nan 4.556 nan 0.000 0.359 2 H C -0.380 174.895 175.328 -0.090 0.000 1.134 2 H CA -0.337 55.691 56.048 -0.033 0.000 1.187 2 H CB 2.415 32.168 29.762 -0.015 0.000 1.597 2 H HN 0.110 8.520 8.280 0.218 0.000 0.524 3 S N 0.338 115.971 115.700 -0.111 0.000 2.610 3 S HA 0.065 nan 4.470 nan 0.000 0.273 3 S C -0.699 173.619 174.600 -0.470 0.000 1.274 3 S CA -0.012 58.074 58.200 -0.191 0.000 1.023 3 S CB 0.546 63.662 63.200 -0.140 0.000 0.962 3 S HN 0.321 8.566 8.310 -0.108 0.000 0.523 4 H N 3.129 122.138 119.070 -0.102 0.000 2.750 4 H HA 0.230 nan 4.556 nan 0.000 0.261 4 H C -2.262 173.002 175.328 -0.108 0.000 1.387 4 H CA -1.466 54.532 56.048 -0.084 0.000 1.557 4 H CB 0.288 30.002 29.762 -0.080 0.000 1.756 4 H HN 0.155 8.365 8.280 -0.117 0.000 0.580 5 P HA -0.178 nan 4.420 nan 0.000 0.255 5 P C -0.451 176.837 177.300 -0.020 0.000 1.141 5 P CA 0.440 63.518 63.100 -0.037 0.000 0.767 5 P CB 0.587 32.264 31.700 -0.039 0.000 0.726 6 A N 2.988 125.796 122.820 -0.020 0.000 1.970 6 A HA -0.149 nan 4.320 nan 0.000 0.216 6 A C -1.180 176.394 177.584 -0.016 0.000 1.170 6 A CA 1.217 53.255 52.037 0.003 0.000 0.645 6 A CB 0.648 19.675 19.000 0.045 0.000 0.816 6 A HN 0.491 8.625 8.150 -0.026 0.000 0.447 7 L N -4.375 116.821 121.223 -0.046 0.000 2.371 7 L HA 0.249 nan 4.340 nan 0.000 0.262 7 L C -0.590 176.223 176.870 -0.096 0.000 1.006 7 L CA -1.337 53.454 54.840 -0.082 0.000 0.818 7 L CB 4.127 46.099 42.059 -0.146 0.000 1.354 7 L HN -0.670 7.511 8.230 -0.048 0.020 0.415 8 T N -3.455 111.045 114.554 -0.090 0.000 2.902 8 T HA 0.555 nan 4.350 nan 0.000 0.280 8 T C -0.786 173.849 174.700 -0.108 0.000 0.992 8 T CA -3.035 59.017 62.100 -0.079 0.000 1.015 8 T CB 0.346 69.182 68.868 -0.053 0.000 1.044 8 T HN 0.298 8.814 8.240 -0.081 -0.325 0.520 9 P HA -0.239 nan 4.420 nan 0.000 0.216 9 P C 1.791 179.042 177.300 -0.081 0.000 1.153 9 P CA 3.050 66.098 63.100 -0.087 0.000 0.858 9 P CB 0.031 31.699 31.700 -0.052 0.000 0.789 10 E N -2.750 117.414 120.200 -0.059 0.000 2.051 10 E HA -0.271 nan 4.350 nan 0.000 0.192 10 E C 2.616 179.185 176.600 -0.051 0.000 0.991 10 E CA 3.566 59.941 56.400 -0.043 0.000 0.799 10 E CB -0.892 28.790 29.700 -0.029 0.000 0.748 10 E HN 0.457 8.780 8.360 -0.053 0.006 0.449 11 Q N -0.754 119.005 119.800 -0.070 0.000 2.084 11 Q HA -0.333 nan 4.340 nan 0.000 0.202 11 Q C 2.632 178.564 176.000 -0.114 0.000 0.978 11 Q CA 3.154 58.914 55.803 -0.072 0.000 0.844 11 Q CB -0.068 28.625 28.738 -0.076 0.000 0.898 11 Q HN -0.464 7.686 8.270 -0.073 0.076 0.426 12 K N -0.548 119.713 120.400 -0.231 0.000 2.057 12 K HA -0.356 nan 4.320 nan 0.000 0.207 12 K C 2.328 178.873 176.600 -0.092 0.000 1.049 12 K CA 3.434 59.455 56.287 -0.444 0.000 0.931 12 K CB -0.273 31.803 32.500 -0.708 0.000 0.714 12 K HN -0.020 8.100 8.250 -0.216 0.000 0.440 13 K N -0.747 119.626 120.400 -0.046 0.000 2.009 13 K HA -0.314 nan 4.320 nan 0.000 0.210 13 K C 2.074 178.707 176.600 0.054 0.000 1.049 13 K CA 2.869 59.171 56.287 0.024 0.000 0.929 13 K CB -0.465 32.035 32.500 -0.000 0.000 0.714 13 K HN -0.167 7.954 8.250 -0.082 0.081 0.440 14 E N -0.548 119.671 120.200 0.033 0.000 2.058 14 E HA -0.299 nan 4.350 nan 0.000 0.194 14 E C 2.409 179.060 176.600 0.084 0.000 0.997 14 E CA 3.242 59.671 56.400 0.048 0.000 0.801 14 E CB -0.136 29.583 29.700 0.032 0.000 0.746 14 E HN -0.476 7.887 8.360 0.005 0.000 0.450 15 L N -1.855 119.432 121.223 0.107 0.000 2.046 15 L HA -0.396 nan 4.340 nan 0.000 0.208 15 L C 2.081 179.070 176.870 0.198 0.000 1.077 15 L CA 3.049 57.984 54.840 0.158 0.000 0.747 15 L CB -0.276 41.912 42.059 0.215 0.000 0.896 15 L HN -0.302 7.972 8.230 0.073 0.000 0.432 16 S N -0.893 114.975 115.700 0.280 0.000 2.368 16 S HA -0.398 nan 4.470 nan 0.000 0.225 16 S C 2.533 177.310 174.600 0.295 0.000 1.030 16 S CA 3.607 61.988 58.200 0.301 0.000 0.999 16 S CB -0.271 63.124 63.200 0.326 0.000 0.844 16 S HN 0.164 8.652 8.310 0.297 0.000 0.459 17 D N 2.789 123.291 120.400 0.171 0.000 2.104 17 D HA -0.280 nan 4.640 nan 0.000 0.194 17 D C 2.303 178.668 176.300 0.109 0.000 0.994 17 D CA 3.530 57.599 54.000 0.114 0.000 0.830 17 D CB -0.346 40.489 40.800 0.060 0.000 0.959 17 D HN -0.109 8.346 8.370 0.141 0.000 0.452 18 I N -0.629 119.993 120.570 0.086 0.000 2.226 18 I HA -0.528 nan 4.170 nan 0.000 0.245 18 I C 1.595 177.710 176.117 -0.003 0.000 1.100 18 I CA 3.959 65.289 61.300 0.050 0.000 1.374 18 I CB -0.269 37.772 38.000 0.068 0.000 1.057 18 I HN -0.138 8.129 8.210 0.094 0.000 0.413 19 A N -0.633 122.185 122.820 -0.003 0.000 1.883 19 A HA -0.406 nan 4.320 nan 0.000 0.217 19 A C 2.047 179.532 177.584 -0.166 0.000 1.186 19 A CA 3.333 55.300 52.037 -0.117 0.000 0.624 19 A CB -0.987 17.933 19.000 -0.133 0.000 0.822 19 A HN -0.189 7.993 8.150 0.053 0.000 0.444 20 H N -1.832 117.203 119.070 -0.058 0.000 2.387 20 H HA -0.242 nan 4.556 nan 0.000 0.299 20 H C 2.601 177.888 175.328 -0.069 0.000 1.090 20 H CA 3.511 59.526 56.048 -0.055 0.000 1.332 20 H CB -0.011 29.733 29.762 -0.029 0.000 1.386 20 H HN -0.302 8.068 8.280 0.150 0.000 0.516 21 R N -1.381 119.146 120.500 0.045 0.000 2.073 21 R HA -0.291 nan 4.340 nan 0.000 0.234 21 R C 2.484 178.738 176.300 -0.077 0.000 1.134 21 R CA 3.325 59.420 56.100 -0.008 0.000 0.952 21 R CB 0.097 30.394 30.300 -0.004 0.000 0.850 21 R HN -0.412 7.816 8.270 0.065 0.081 0.433 22 I N -1.500 118.981 120.570 -0.148 0.000 2.208 22 I HA -0.391 nan 4.170 nan 0.000 0.245 22 I C 0.653 176.625 176.117 -0.242 0.000 1.097 22 I CA 3.752 64.902 61.300 -0.250 0.000 1.363 22 I CB 0.352 38.089 38.000 -0.439 0.000 1.051 22 I HN -0.442 7.683 8.210 -0.142 0.000 0.413 23 V N -9.918 109.872 119.914 -0.207 0.000 3.249 23 V HA 0.266 nan 4.120 nan 0.000 0.338 23 V C 0.127 176.156 176.094 -0.109 0.000 1.363 23 V CA -3.028 59.159 62.300 -0.189 0.000 1.205 23 V CB -1.948 29.754 31.823 -0.202 0.000 1.164 23 V HN -0.826 7.238 8.190 -0.187 0.014 0.458 24 A N 1.970 124.744 122.820 -0.076 0.000 2.492 24 A HA 0.194 nan 4.320 nan 0.000 0.236 24 A C -2.137 175.429 177.584 -0.031 0.000 1.078 24 A CA -1.358 50.662 52.037 -0.028 0.000 0.773 24 A CB -0.984 18.004 19.000 -0.019 0.000 1.023 24 A HN -0.583 7.439 8.150 -0.091 0.074 0.504 25 P HA -0.273 nan 4.420 nan 0.000 0.260 25 P C 0.029 177.331 177.300 0.003 0.000 1.172 25 P CA 2.050 65.153 63.100 0.003 0.000 0.760 25 P CB -0.415 31.292 31.700 0.011 0.000 0.773 26 G N 2.804 111.614 108.800 0.016 0.000 2.179 26 G HA2 -0.495 nan 3.960 nan 0.000 0.260 26 G HA3 -0.495 nan 3.960 nan 0.000 0.260 26 G C -0.853 174.065 174.900 0.030 0.000 0.977 26 G CA 0.161 45.283 45.100 0.036 0.000 0.641 26 G HN 0.434 8.737 8.290 0.021 0.000 0.533 27 K N 0.893 121.267 120.400 -0.042 0.000 2.156 27 K HA 0.904 nan 4.320 nan 0.000 0.250 27 K C -1.153 175.225 176.600 -0.371 0.000 0.955 27 K CA -1.369 54.843 56.287 -0.124 0.000 0.855 27 K CB 2.394 34.822 32.500 -0.119 0.000 1.101 27 K HN -0.125 8.034 8.250 -0.054 0.059 0.434 28 G N -0.329 108.071 108.800 -0.667 0.000 2.975 28 G HA2 0.838 nan 3.960 nan 0.000 0.291 28 G HA3 0.838 nan 3.960 nan 0.000 0.291 28 G C -2.829 171.572 174.900 -0.833 0.000 1.334 28 G CA -1.250 42.969 45.100 -1.467 0.000 0.843 28 G HN 0.572 8.630 8.290 -0.386 0.000 0.548 29 I N -1.336 118.795 120.570 -0.732 0.000 2.474 29 I HA 0.565 nan 4.170 nan 0.000 0.294 29 I C -2.006 174.142 176.117 0.051 0.000 1.005 29 I CA -1.231 59.942 61.300 -0.212 0.000 1.113 29 I CB 3.828 41.740 38.000 -0.147 0.000 1.289 29 I HN 0.705 8.177 8.210 -1.031 0.120 0.436 30 L N 6.753 128.051 121.223 0.126 0.000 2.257 30 L HA 0.488 nan 4.340 nan 0.000 0.290 30 L C -2.305 174.634 176.870 0.116 0.000 1.044 30 L CA -1.818 53.127 54.840 0.175 0.000 0.810 30 L CB 1.831 43.975 42.059 0.142 0.000 1.193 30 L HN 0.537 8.823 8.230 0.093 0.000 0.425 31 A N 8.146 131.046 122.820 0.133 0.000 2.478 31 A HA 0.370 nan 4.320 nan 0.000 0.327 31 A C -1.190 176.419 177.584 0.043 0.000 1.431 31 A CA -0.961 51.135 52.037 0.098 0.000 1.014 31 A CB -0.350 18.729 19.000 0.131 0.000 1.143 31 A HN 0.408 8.570 8.150 0.185 0.099 0.532 32 A N 2.813 125.626 122.820 -0.011 0.000 2.827 32 A HA 0.376 nan 4.320 nan 0.000 0.300 32 A C -1.321 176.248 177.584 -0.024 0.000 1.237 32 A CA -0.961 51.037 52.037 -0.066 0.000 0.964 32 A CB 0.679 19.572 19.000 -0.178 0.000 1.143 32 A HN 0.020 8.164 8.150 -0.009 0.000 0.554 33 D N -2.997 117.416 120.400 0.021 0.000 2.561 33 D HA -0.059 nan 4.640 nan 0.000 0.232 33 D C -0.778 175.562 176.300 0.067 0.000 1.198 33 D CA -0.266 53.783 54.000 0.081 0.000 0.826 33 D CB -0.610 40.231 40.800 0.069 0.000 0.992 33 D HN -0.152 8.156 8.370 0.026 0.077 0.490 34 E N -0.782 119.406 120.200 -0.020 0.000 2.360 34 E HA 0.024 nan 4.350 nan 0.000 0.269 34 E C 0.042 176.403 176.600 -0.399 0.000 1.022 34 E CA -0.151 56.179 56.400 -0.117 0.000 0.887 34 E CB 0.159 29.816 29.700 -0.072 0.000 0.990 34 E HN -0.271 8.007 8.360 -0.008 0.078 0.426 35 S N 3.580 118.979 115.700 -0.502 0.000 2.608 35 S HA 0.040 nan 4.470 nan 0.000 0.261 35 S C 1.129 175.345 174.600 -0.639 0.000 1.314 35 S CA -0.548 57.055 58.200 -0.996 0.000 0.992 35 S CB 1.002 63.947 63.200 -0.426 0.000 0.935 35 S HN 0.347 8.493 8.310 -0.274 0.000 0.564 36 T N 3.662 117.870 114.554 -0.575 0.000 2.699 36 T HA -0.272 nan 4.350 nan 0.000 0.268 36 T C 2.208 176.822 174.700 -0.144 0.000 1.036 36 T CA 3.949 65.906 62.100 -0.238 0.000 1.147 36 T CB -0.675 68.136 68.868 -0.096 0.000 0.862 36 T HN 0.580 8.382 8.240 -0.730 0.000 0.446 37 G N -0.322 108.394 108.800 -0.140 0.000 2.408 37 G HA2 -0.127 nan 3.960 nan 0.000 0.217 37 G HA3 -0.127 nan 3.960 nan 0.000 0.217 37 G C 1.319 176.161 174.900 -0.096 0.000 1.150 37 G CA 1.900 46.941 45.100 -0.099 0.000 0.776 37 G HN 0.176 8.357 8.290 -0.164 0.010 0.542 38 S N 2.645 118.275 115.700 -0.116 0.000 2.357 38 S HA -0.181 nan 4.470 nan 0.000 0.221 38 S C 1.685 176.251 174.600 -0.058 0.000 1.031 38 S CA 3.591 61.740 58.200 -0.086 0.000 0.982 38 S CB -0.086 63.059 63.200 -0.092 0.000 0.853 38 S HN -0.870 7.260 8.310 -0.158 0.085 0.458 39 I N 1.278 121.805 120.570 -0.072 0.000 2.361 39 I HA -0.382 nan 4.170 nan 0.000 0.251 39 I C 0.474 176.592 176.117 0.002 0.000 1.133 39 I CA 1.167 62.457 61.300 -0.016 0.000 1.413 39 I CB -0.327 37.667 38.000 -0.011 0.000 1.073 39 I HN 0.078 8.211 8.210 -0.129 0.000 0.424 40 A N -1.377 121.436 122.820 -0.011 0.000 1.940 40 A HA -0.383 nan 4.320 nan 0.000 0.219 40 A C 1.523 179.134 177.584 0.044 0.000 1.176 40 A CA 3.443 55.490 52.037 0.017 0.000 0.631 40 A CB -1.135 17.868 19.000 0.005 0.000 0.814 40 A HN -0.189 7.923 8.150 -0.042 0.013 0.446 41 K N -1.444 118.974 120.400 0.031 0.000 2.002 41 K HA -0.347 nan 4.320 nan 0.000 0.209 41 K C 2.327 178.955 176.600 0.048 0.000 1.048 41 K CA 3.172 59.501 56.287 0.070 0.000 0.930 41 K CB -0.170 32.340 32.500 0.017 0.000 0.714 41 K HN -0.607 7.525 8.250 -0.003 0.116 0.438 42 R N -1.082 119.425 120.500 0.012 0.000 2.081 42 R HA -0.286 nan 4.340 nan 0.000 0.235 42 R C 3.071 179.350 176.300 -0.035 0.000 1.131 42 R CA 2.686 58.779 56.100 -0.013 0.000 0.960 42 R CB -0.587 29.701 30.300 -0.020 0.000 0.856 42 R HN -0.725 7.549 8.270 0.008 0.000 0.436 43 L N -1.105 120.105 121.223 -0.022 0.000 2.046 43 L HA -0.416 nan 4.340 nan 0.000 0.208 43 L C 2.519 179.355 176.870 -0.056 0.000 1.077 43 L CA 2.965 57.784 54.840 -0.035 0.000 0.747 43 L CB -0.733 41.334 42.059 0.013 0.000 0.896 43 L HN -0.129 8.100 8.230 -0.001 0.000 0.432 44 Q N -0.396 119.394 119.800 -0.016 0.000 2.096 44 Q HA -0.304 nan 4.340 nan 0.000 0.204 44 Q C 2.809 178.758 176.000 -0.085 0.000 0.982 44 Q CA 2.842 58.620 55.803 -0.042 0.000 0.850 44 Q CB -0.666 28.088 28.738 0.025 0.000 0.901 44 Q HN 0.007 8.290 8.270 0.022 0.000 0.422 45 S N 0.316 115.982 115.700 -0.056 0.000 2.465 45 S HA -0.214 nan 4.470 nan 0.000 0.241 45 S C 0.751 175.302 174.600 -0.082 0.000 1.000 45 S CA 2.947 61.109 58.200 -0.063 0.000 0.964 45 S CB -0.217 62.964 63.200 -0.032 0.000 0.763 45 S HN -0.127 8.170 8.310 -0.021 0.000 0.512 46 I N -7.544 112.963 120.570 -0.106 0.000 3.936 46 I HA 0.514 nan 4.170 nan 0.000 0.330 46 I C -0.040 175.969 176.117 -0.179 0.000 1.509 46 I CA -1.237 59.978 61.300 -0.141 0.000 1.126 46 I CB -0.340 37.559 38.000 -0.169 0.000 1.115 46 I HN -0.690 7.284 8.210 -0.104 0.174 0.424 47 G N 1.462 110.173 108.800 -0.149 0.000 2.272 47 G HA2 -0.448 nan 3.960 nan 0.000 0.280 47 G HA3 -0.448 nan 3.960 nan 0.000 0.280 47 G C -0.689 174.111 174.900 -0.167 0.000 1.067 47 G CA 0.764 45.776 45.100 -0.146 0.000 0.902 47 G HN 0.063 8.091 8.290 -0.129 0.185 0.500 48 T N 0.530 114.986 114.554 -0.163 0.000 2.863 48 T HA 0.138 nan 4.350 nan 0.000 0.285 48 T C -1.027 173.629 174.700 -0.073 0.000 1.009 48 T CA -0.838 61.166 62.100 -0.160 0.000 0.989 48 T CB 2.592 71.307 68.868 -0.255 0.000 1.004 48 T HN -0.291 7.761 8.240 -0.142 0.103 0.455 49 E N 2.999 123.173 120.200 -0.044 0.000 2.313 49 E HA -0.068 nan 4.350 nan 0.000 0.276 49 E C -1.057 175.560 176.600 0.028 0.000 1.031 49 E CA -0.494 55.903 56.400 -0.005 0.000 0.857 49 E CB 0.965 30.662 29.700 -0.005 0.000 1.040 49 E HN 0.211 8.536 8.360 -0.058 0.000 0.408 50 N N 4.166 122.889 118.700 0.038 0.000 2.434 50 N HA -0.077 nan 4.740 nan 0.000 0.273 50 N C -1.188 174.358 175.510 0.061 0.000 1.210 50 N CA 0.514 53.596 53.050 0.054 0.000 0.992 50 N CB -0.066 38.447 38.487 0.043 0.000 1.355 50 N HN 0.270 8.670 8.380 0.033 0.000 0.495 51 T N 5.311 119.914 114.554 0.082 0.000 2.916 51 T HA 0.269 nan 4.350 nan 0.000 0.292 51 T C 0.062 174.831 174.700 0.114 0.000 1.055 51 T CA -1.993 60.157 62.100 0.084 0.000 1.009 51 T CB 2.473 71.384 68.868 0.071 0.000 1.118 51 T HN -0.522 7.778 8.240 0.101 0.000 0.497 52 E N 4.583 124.849 120.200 0.110 0.000 2.110 52 E HA -0.323 nan 4.350 nan 0.000 0.193 52 E C 1.284 177.978 176.600 0.157 0.000 0.988 52 E CA 4.146 60.626 56.400 0.133 0.000 0.804 52 E CB 0.098 29.869 29.700 0.119 0.000 0.745 52 E HN 0.540 8.956 8.360 0.092 0.000 0.458 53 E N -0.011 120.273 120.200 0.140 0.000 2.072 53 E HA -0.303 nan 4.350 nan 0.000 0.191 53 E C 2.272 179.011 176.600 0.231 0.000 0.985 53 E CA 3.001 59.498 56.400 0.162 0.000 0.801 53 E CB -0.905 28.862 29.700 0.111 0.000 0.750 53 E HN -0.634 7.784 8.360 0.114 0.011 0.452 54 N N -1.233 117.600 118.700 0.222 0.000 2.244 54 N HA -0.240 nan 4.740 nan 0.000 0.183 54 N C 2.555 178.294 175.510 0.381 0.000 1.016 54 N CA 2.983 56.231 53.050 0.330 0.000 0.866 54 N CB -0.644 38.003 38.487 0.267 0.000 0.980 54 N HN 0.171 8.652 8.380 0.168 0.000 0.430 55 R N 0.359 121.025 120.500 0.278 0.000 2.073 55 R HA -0.266 nan 4.340 nan 0.000 0.229 55 R C 2.107 178.551 176.300 0.239 0.000 1.120 55 R CA 3.655 59.908 56.100 0.256 0.000 0.967 55 R CB -0.128 30.285 30.300 0.190 0.000 0.862 55 R HN 0.211 8.618 8.270 0.228 0.000 0.436 56 R N -0.291 120.367 120.500 0.263 0.000 2.075 56 R HA -0.278 nan 4.340 nan 0.000 0.232 56 R C 2.227 178.696 176.300 0.282 0.000 1.126 56 R CA 3.392 59.676 56.100 0.308 0.000 0.963 56 R CB -0.137 30.337 30.300 0.290 0.000 0.858 56 R HN -0.010 8.309 8.270 0.255 0.104 0.435 57 F N 0.878 120.911 119.950 0.138 0.000 2.102 57 F HA -0.373 nan 4.527 nan 0.000 0.298 57 F C 1.516 177.250 175.800 -0.111 0.000 1.105 57 F CA 3.950 61.991 58.000 0.069 0.000 1.239 57 F CB -0.000 39.089 39.000 0.149 0.000 0.991 57 F HN 0.170 8.628 8.300 0.439 0.106 0.474 58 Y N -0.216 119.958 120.300 -0.211 0.000 2.097 58 Y HA -0.522 nan 4.550 nan 0.000 0.282 58 Y C 1.822 177.432 175.900 -0.484 0.000 1.152 58 Y CA 3.268 61.017 58.100 -0.587 0.000 1.136 58 Y CB -0.256 37.974 38.460 -0.383 0.000 0.975 58 Y HN -0.045 8.413 8.280 0.297 0.000 0.498 59 R N -2.362 117.841 120.500 -0.494 0.000 2.096 59 R HA -0.412 nan 4.340 nan 0.000 0.235 59 R C 2.278 178.126 176.300 -0.753 0.000 1.127 59 R CA 2.564 58.260 56.100 -0.674 0.000 0.968 59 R CB -0.789 29.212 30.300 -0.499 0.000 0.861 59 R HN -0.076 8.087 8.270 -0.180 0.000 0.440 60 Q N 0.315 119.775 119.800 -0.568 0.000 2.084 60 Q HA -0.260 nan 4.340 nan 0.000 0.202 60 Q C 2.439 178.156 176.000 -0.472 0.000 0.978 60 Q CA 3.209 58.752 55.803 -0.433 0.000 0.844 60 Q CB -0.211 28.465 28.738 -0.104 0.000 0.898 60 Q HN -0.205 7.771 8.270 -0.356 0.081 0.426 61 L N -0.512 120.344 121.223 -0.611 0.000 1.990 61 L HA -0.336 nan 4.340 nan 0.000 0.213 61 L C 1.640 178.237 176.870 -0.455 0.000 1.072 61 L CA 3.114 57.615 54.840 -0.566 0.000 0.755 61 L CB -0.082 41.570 42.059 -0.678 0.000 0.889 61 L HN -0.116 7.610 8.230 -0.681 0.095 0.432 62 L N -3.786 117.066 121.223 -0.618 0.000 2.027 62 L HA -0.274 nan 4.340 nan 0.000 0.206 62 L C 2.567 179.183 176.870 -0.422 0.000 1.074 62 L CA 2.713 57.134 54.840 -0.698 0.000 0.745 62 L CB 0.028 41.528 42.059 -0.931 0.000 0.898 62 L HN -0.759 7.022 8.230 -0.750 0.000 0.433 63 L N -2.379 118.592 121.223 -0.420 0.000 2.201 63 L HA -0.257 nan 4.340 nan 0.000 0.212 63 L C 1.661 178.449 176.870 -0.135 0.000 1.105 63 L CA 2.734 57.406 54.840 -0.281 0.000 0.775 63 L CB -0.510 41.291 42.059 -0.429 0.000 0.913 63 L HN -0.051 7.852 8.230 -0.545 0.000 0.440 64 T N -7.685 106.787 114.554 -0.137 0.000 3.223 64 T HA 0.145 nan 4.350 nan 0.000 0.259 64 T C 0.369 175.053 174.700 -0.027 0.000 1.015 64 T CA -1.605 60.457 62.100 -0.062 0.000 0.908 64 T CB -0.783 68.047 68.868 -0.063 0.000 1.054 64 T HN -0.377 7.706 8.240 -0.212 0.030 0.567 65 A N 3.027 125.857 122.820 0.016 0.000 2.448 65 A HA -0.063 nan 4.320 nan 0.000 0.239 65 A C -1.066 176.536 177.584 0.030 0.000 1.080 65 A CA -0.544 51.532 52.037 0.064 0.000 0.779 65 A CB 0.585 19.705 19.000 0.201 0.000 1.026 65 A HN -0.529 7.556 8.150 0.020 0.077 0.499 66 D N -1.160 119.249 120.400 0.015 0.000 2.364 66 D HA -0.235 nan 4.640 nan 0.000 0.236 66 D C 0.680 176.979 176.300 -0.001 0.000 1.221 66 D CA 0.380 54.383 54.000 0.005 0.000 0.891 66 D CB 0.361 41.163 40.800 0.002 0.000 1.190 66 D HN -0.076 8.304 8.370 0.017 0.000 0.449 67 D N -0.923 119.476 120.400 -0.001 0.000 2.393 67 D HA -0.275 nan 4.640 nan 0.000 0.220 67 D C 1.752 178.046 176.300 -0.010 0.000 0.974 67 D CA 2.671 56.670 54.000 -0.002 0.000 0.931 67 D CB -0.609 40.191 40.800 0.001 0.000 0.889 67 D HN 0.337 8.708 8.370 0.002 0.000 0.512 68 R N -1.763 118.726 120.500 -0.019 0.000 2.148 68 R HA -0.155 nan 4.340 nan 0.000 0.227 68 R C 1.686 177.961 176.300 -0.043 0.000 1.103 68 R CA 2.253 58.336 56.100 -0.028 0.000 0.983 68 R CB 0.196 30.476 30.300 -0.034 0.000 0.874 68 R HN -0.411 8.050 8.270 -0.018 -0.202 0.451 69 V N -6.410 113.470 119.914 -0.056 0.000 2.871 69 V HA -0.035 nan 4.120 nan 0.000 0.256 69 V C 0.949 177.029 176.094 -0.023 0.000 1.082 69 V CA 2.105 64.361 62.300 -0.074 0.000 1.105 69 V CB -0.334 31.417 31.823 -0.120 0.000 0.713 69 V HN -0.320 7.818 8.190 -0.048 0.024 0.473 70 N N 1.200 119.895 118.700 -0.008 0.000 2.037 70 N HA -0.160 nan 4.740 nan 0.000 0.196 70 N C -0.320 175.190 175.510 0.001 0.000 1.034 70 N CA 3.476 56.527 53.050 0.002 0.000 0.861 70 N CB -2.777 35.712 38.487 0.003 0.000 1.039 70 N HN -0.340 7.890 8.380 -0.011 0.142 0.427 71 P HA 0.141 nan 4.420 nan 0.000 0.237 71 P C -0.414 176.891 177.300 0.007 0.000 1.178 71 P CA 1.112 64.212 63.100 0.001 0.000 0.766 71 P CB 0.148 31.848 31.700 0.001 0.000 0.876 72 C N -2.003 117.306 119.300 0.014 0.000 2.518 72 C HA 0.065 nan 4.460 nan 0.000 0.283 72 C C -0.334 174.693 174.990 0.063 0.000 1.351 72 C CA 1.441 60.492 59.018 0.054 0.000 1.745 72 C CB 0.906 28.672 27.740 0.045 0.000 2.107 72 C HN -0.196 7.841 8.230 0.004 0.195 0.502 73 I N 0.109 120.700 120.570 0.034 0.000 2.291 73 I HA 0.073 nan 4.170 nan 0.000 0.290 73 I C 0.368 176.467 176.117 -0.030 0.000 1.050 73 I CA -1.873 59.438 61.300 0.019 0.000 1.245 73 I CB -1.734 36.309 38.000 0.071 0.000 1.405 73 I HN -0.343 7.881 8.210 0.023 0.000 0.478 74 G N 5.208 113.947 108.800 -0.102 0.000 2.603 74 G HA2 0.074 nan 3.960 nan 0.000 0.214 74 G HA3 0.074 nan 3.960 nan 0.000 0.214 74 G C -1.372 173.474 174.900 -0.091 0.000 1.140 74 G CA 0.466 45.500 45.100 -0.111 0.000 0.800 74 G HN 0.815 9.004 8.290 -0.168 0.000 0.533 75 G N -2.382 106.377 108.800 -0.069 0.000 2.673 75 G HA2 0.523 nan 3.960 nan 0.000 0.292 75 G HA3 0.523 nan 3.960 nan 0.000 0.292 75 G C -3.054 171.937 174.900 0.151 0.000 1.450 75 G CA 0.412 45.550 45.100 0.063 0.000 0.837 75 G HN -0.785 7.426 8.290 -0.090 0.026 0.505 76 V N 1.023 121.084 119.914 0.244 0.000 2.577 76 V HA 0.716 nan 4.120 nan 0.000 0.303 76 V C -1.230 174.914 176.094 0.082 0.000 1.042 76 V CA -1.277 61.098 62.300 0.124 0.000 0.872 76 V CB 2.856 34.684 31.823 0.007 0.000 0.998 76 V HN 0.270 8.654 8.190 0.324 0.000 0.423 77 I N 6.238 126.845 120.570 0.061 0.000 2.325 77 I HA 0.446 nan 4.170 nan 0.000 0.291 77 I C -1.220 174.842 176.117 -0.091 0.000 1.019 77 I CA -0.448 60.808 61.300 -0.073 0.000 1.302 77 I CB 0.188 38.205 38.000 0.028 0.000 1.401 77 I HN 0.656 8.921 8.210 0.092 0.000 0.485 78 L N 5.154 126.282 121.223 -0.160 0.000 2.334 78 L HA 0.639 nan 4.340 nan 0.000 0.270 78 L C -1.292 175.549 176.870 -0.048 0.000 1.018 78 L CA -2.122 52.657 54.840 -0.102 0.000 0.811 78 L CB 2.179 44.149 42.059 -0.148 0.000 1.271 78 L HN 0.407 8.363 8.230 -0.258 0.118 0.443 79 F N 0.866 120.759 119.950 -0.096 0.000 2.370 79 F HA 0.100 nan 4.527 nan 0.000 0.324 79 F C 0.217 176.017 175.800 -0.000 0.000 1.116 79 F CA -1.348 56.631 58.000 -0.035 0.000 1.123 79 F CB 2.412 41.417 39.000 0.007 0.000 1.238 79 F HN 0.292 8.692 8.300 0.166 0.000 0.536 80 H N 6.241 124.729 119.070 -0.970 0.000 2.325 80 H HA -0.474 nan 4.556 nan 0.000 0.293 80 H C 1.176 176.430 175.328 -0.122 0.000 1.106 80 H CA 4.636 60.378 56.048 -0.509 0.000 1.247 80 H CB 0.227 29.679 29.762 -0.516 0.000 1.359 80 H HN 0.575 8.004 8.280 -1.418 0.000 0.488 81 E N -2.328 117.888 120.200 0.026 0.000 2.033 81 E HA -0.358 nan 4.350 nan 0.000 0.199 81 E C 2.340 179.071 176.600 0.217 0.000 1.011 81 E CA 3.498 60.066 56.400 0.279 0.000 0.815 81 E CB -0.289 29.692 29.700 0.469 0.000 0.755 81 E HN 0.355 8.560 8.360 -0.258 0.000 0.451 82 T N 1.822 116.511 114.554 0.224 0.000 2.803 82 T HA -0.236 nan 4.350 nan 0.000 0.269 82 T C 2.636 177.416 174.700 0.133 0.000 1.052 82 T CA 3.323 65.561 62.100 0.229 0.000 1.136 82 T CB -0.791 68.166 68.868 0.150 0.000 0.864 82 T HN -0.325 8.097 8.240 0.304 0.000 0.467 83 L N 1.317 122.464 121.223 -0.127 0.000 2.187 83 L HA -0.318 nan 4.340 nan 0.000 0.213 83 L C -0.000 176.534 176.870 -0.560 0.000 1.100 83 L CA 2.575 57.172 54.840 -0.407 0.000 0.765 83 L CB -0.020 41.609 42.059 -0.716 0.000 0.904 83 L HN -0.608 7.512 8.230 -0.143 0.025 0.437 84 Y N -6.961 113.303 120.300 -0.060 0.000 2.507 84 Y HA 0.034 nan 4.550 nan 0.000 0.254 84 Y C -0.353 175.498 175.900 -0.082 0.000 1.171 84 Y CA -0.455 57.603 58.100 -0.069 0.000 1.238 84 Y CB -0.017 38.395 38.460 -0.080 0.000 1.148 84 Y HN -0.713 7.395 8.280 -0.045 0.145 0.525 85 Q N 0.392 120.184 119.800 -0.014 0.000 2.256 85 Q HA 0.155 nan 4.340 nan 0.000 0.232 85 Q C -1.045 174.568 176.000 -0.645 0.000 0.965 85 Q CA -0.567 55.115 55.803 -0.200 0.000 0.908 85 Q CB 2.102 30.816 28.738 -0.039 0.000 1.209 85 Q HN -0.445 7.664 8.270 0.039 0.185 0.489 86 K N -1.317 118.689 120.400 -0.656 0.000 2.318 86 K HA 0.722 nan 4.320 nan 0.000 0.249 86 K C -1.564 174.615 176.600 -0.701 0.000 0.942 86 K CA -1.555 54.340 56.287 -0.654 0.000 0.808 86 K CB 2.730 35.064 32.500 -0.277 0.000 1.189 86 K HN 0.210 8.201 8.250 -0.433 0.000 0.428 87 A N 1.269 123.795 122.820 -0.492 0.000 2.280 87 A HA 0.258 nan 4.320 nan 0.000 0.268 87 A C 1.208 178.766 177.584 -0.042 0.000 1.111 87 A CA -0.771 51.202 52.037 -0.107 0.000 0.814 87 A CB 0.693 19.751 19.000 0.097 0.000 1.093 87 A HN 0.697 8.602 8.150 -0.407 0.000 0.498 88 D N 0.603 121.026 120.400 0.039 0.000 2.228 88 D HA -0.323 nan 4.640 nan 0.000 0.203 88 D C 1.022 177.337 176.300 0.025 0.000 0.988 88 D CA 3.037 57.066 54.000 0.049 0.000 0.864 88 D CB -0.326 40.526 40.800 0.087 0.000 0.928 88 D HN 0.670 9.493 8.370 0.076 -0.408 0.469 89 D N -4.573 115.837 120.400 0.016 0.000 2.328 89 D HA -0.008 nan 4.640 nan 0.000 0.226 89 D C 1.208 177.503 176.300 -0.008 0.000 1.066 89 D CA -0.479 53.527 54.000 0.010 0.000 0.861 89 D CB -1.053 39.756 40.800 0.016 0.000 0.912 89 D HN -0.348 8.001 8.370 0.021 0.033 0.521 90 G N 0.084 108.867 108.800 -0.028 0.000 2.234 90 G HA2 -0.545 nan 3.960 nan 0.000 0.260 90 G HA3 -0.545 nan 3.960 nan 0.000 0.260 90 G C -0.787 174.078 174.900 -0.060 0.000 0.987 90 G CA 0.266 45.340 45.100 -0.043 0.000 0.625 90 G HN 0.158 8.239 8.290 -0.032 0.190 0.532 91 R N 1.203 121.671 120.500 -0.054 0.000 2.340 91 R HA 0.244 nan 4.340 nan 0.000 0.300 91 R C -1.998 174.238 176.300 -0.107 0.000 1.069 91 R CA -2.544 53.526 56.100 -0.049 0.000 0.984 91 R CB -0.100 30.194 30.300 -0.010 0.000 1.003 91 R HN -0.577 7.858 8.270 -0.038 -0.187 0.459 92 P HA 0.095 nan 4.420 nan 0.000 0.271 92 P C 0.557 177.821 177.300 -0.061 0.000 1.216 92 P CA -0.186 62.822 63.100 -0.153 0.000 0.771 92 P CB 0.376 32.025 31.700 -0.085 0.000 0.864 93 F N 3.443 123.355 119.950 -0.062 0.000 2.111 93 F HA -0.381 nan 4.527 nan 0.000 0.300 93 F C -0.264 175.485 175.800 -0.085 0.000 1.088 93 F CA 4.880 62.833 58.000 -0.079 0.000 1.243 93 F CB -3.348 35.595 39.000 -0.096 0.000 0.996 93 F HN 0.608 8.661 8.300 -0.411 0.000 0.483 94 P HA -0.308 nan 4.420 nan 0.000 0.218 94 P C 1.456 178.767 177.300 0.018 0.000 1.148 94 P CA 3.316 66.419 63.100 0.006 0.000 0.822 94 P CB -0.343 31.325 31.700 -0.054 0.000 0.784 95 Q N -1.745 118.069 119.800 0.024 0.000 2.083 95 Q HA -0.260 nan 4.340 nan 0.000 0.198 95 Q C 2.231 178.252 176.000 0.035 0.000 0.969 95 Q CA 3.272 59.088 55.803 0.021 0.000 0.838 95 Q CB 0.066 28.810 28.738 0.010 0.000 0.900 95 Q HN -0.036 8.124 8.270 0.021 0.123 0.436 96 V N 0.452 120.405 119.914 0.065 0.000 2.343 96 V HA -0.431 nan 4.120 nan 0.000 0.247 96 V C 2.330 178.447 176.094 0.039 0.000 1.051 96 V CA 4.318 66.659 62.300 0.068 0.000 1.036 96 V CB -0.758 31.146 31.823 0.134 0.000 0.654 96 V HN -0.592 7.564 8.190 0.089 0.087 0.451 97 I N -1.703 118.887 120.570 0.033 0.000 2.179 97 I HA -0.627 nan 4.170 nan 0.000 0.242 97 I C 1.797 177.927 176.117 0.021 0.000 1.088 97 I CA 4.357 65.666 61.300 0.015 0.000 1.357 97 I CB -0.301 37.701 38.000 0.003 0.000 1.051 97 I HN -0.033 8.207 8.210 0.050 0.000 0.409 98 K N -0.611 119.803 120.400 0.022 0.000 2.147 98 K HA -0.334 nan 4.320 nan 0.000 0.205 98 K C 3.174 179.786 176.600 0.019 0.000 1.049 98 K CA 3.448 59.749 56.287 0.022 0.000 0.936 98 K CB -0.380 32.132 32.500 0.020 0.000 0.722 98 K HN -0.344 7.919 8.250 0.022 0.000 0.446 99 S N 0.355 116.067 115.700 0.019 0.000 2.419 99 S HA -0.134 nan 4.470 nan 0.000 0.233 99 S C 0.621 175.230 174.600 0.015 0.000 1.016 99 S CA 2.875 61.085 58.200 0.017 0.000 0.974 99 S CB -0.210 63.000 63.200 0.018 0.000 0.786 99 S HN -0.203 8.098 8.310 0.021 0.021 0.492 100 K N -0.915 119.494 120.400 0.016 0.000 2.446 100 K HA 0.189 nan 4.320 nan 0.000 0.203 100 K C -0.189 176.419 176.600 0.013 0.000 1.027 100 K CA -0.793 55.502 56.287 0.014 0.000 1.166 100 K CB -0.058 32.451 32.500 0.016 0.000 0.869 100 K HN -0.799 7.326 8.250 0.018 0.136 0.504 101 G N -2.313 106.495 108.800 0.013 0.000 2.159 101 G HA2 -0.335 nan 3.960 nan 0.000 0.256 101 G HA3 -0.335 nan 3.960 nan 0.000 0.256 101 G C -0.158 174.750 174.900 0.012 0.000 0.977 101 G CA 0.080 45.186 45.100 0.011 0.000 0.652 101 G HN -0.302 7.806 8.290 0.015 0.191 0.531 102 G N -1.175 107.637 108.800 0.020 0.000 2.477 102 G HA2 0.557 nan 3.960 nan 0.000 0.304 102 G HA3 0.557 nan 3.960 nan 0.000 0.304 102 G C -1.125 173.807 174.900 0.053 0.000 1.175 102 G CA -1.502 43.616 45.100 0.029 0.000 0.907 102 G HN -0.614 7.643 8.290 0.021 0.045 0.509 103 V N 0.883 120.850 119.914 0.089 0.000 2.532 103 V HA 0.280 nan 4.120 nan 0.000 0.295 103 V C -0.630 175.629 176.094 0.275 0.000 1.041 103 V CA -0.475 61.924 62.300 0.166 0.000 0.926 103 V CB 1.896 33.820 31.823 0.169 0.000 0.992 103 V HN 0.028 8.145 8.190 0.069 0.114 0.457 104 V N 4.306 124.314 119.914 0.157 0.000 2.439 104 V HA 0.582 nan 4.120 nan 0.000 0.282 104 V C -0.523 175.361 176.094 -0.349 0.000 1.039 104 V CA -1.202 61.083 62.300 -0.024 0.000 0.913 104 V CB 0.684 32.459 31.823 -0.080 0.000 0.983 104 V HN 0.636 8.900 8.190 0.124 0.000 0.460 105 G N 5.229 113.555 108.800 -0.789 0.000 2.568 105 G HA2 0.988 nan 3.960 nan 0.000 0.313 105 G HA3 0.988 nan 3.960 nan 0.000 0.313 105 G C -3.139 171.314 174.900 -0.745 0.000 1.227 105 G CA -1.921 42.247 45.100 -1.553 0.000 0.979 105 G HN 0.658 8.670 8.290 -0.463 0.000 0.486 106 I N -0.913 119.281 120.570 -0.626 0.000 2.607 106 I HA 0.432 nan 4.170 nan 0.000 0.290 106 I C -2.585 173.357 176.117 -0.291 0.000 1.129 106 I CA -1.883 59.132 61.300 -0.474 0.000 1.042 106 I CB 4.357 41.920 38.000 -0.728 0.000 1.242 106 I HN -0.086 7.722 8.210 -0.671 0.000 0.421 107 K N 8.952 129.236 120.400 -0.192 0.000 2.339 107 K HA 0.199 nan 4.320 nan 0.000 0.286 107 K C -0.603 175.952 176.600 -0.076 0.000 1.050 107 K CA 0.852 57.092 56.287 -0.079 0.000 0.956 107 K CB 0.711 33.209 32.500 -0.005 0.000 0.990 107 K HN 0.150 8.283 8.250 -0.195 0.000 0.475 108 V N -1.860 118.058 119.914 0.006 0.000 3.477 108 V HA 0.432 nan 4.120 nan 0.000 0.297 108 V C -1.020 175.067 176.094 -0.012 0.000 1.433 108 V CA -1.651 60.711 62.300 0.103 0.000 1.052 108 V CB 0.572 32.585 31.823 0.316 0.000 0.895 108 V HN 0.508 8.712 8.190 0.024 0.000 0.438 109 D N -0.011 120.200 120.400 -0.314 0.000 2.354 109 D HA 0.106 nan 4.640 nan 0.000 0.247 109 D C 0.155 176.181 176.300 -0.457 0.000 1.138 109 D CA -0.269 53.221 54.000 -0.850 0.000 0.958 109 D CB 1.085 40.984 40.800 -1.500 0.000 1.144 109 D HN -0.637 7.571 8.370 -0.271 0.000 0.458 110 K N 0.259 120.381 120.400 -0.463 0.000 2.593 110 K HA 0.076 nan 4.320 nan 0.000 0.208 110 K C -0.135 176.343 176.600 -0.204 0.000 1.051 110 K CA -0.701 55.452 56.287 -0.225 0.000 1.111 110 K CB 0.263 32.683 32.500 -0.132 0.000 0.849 110 K HN 0.422 8.167 8.250 -0.682 0.096 0.479 111 G N -0.510 108.125 108.800 -0.275 0.000 2.756 111 G HA2 -0.312 nan 3.960 nan 0.000 0.678 111 G HA3 -0.312 nan 3.960 nan 0.000 0.678 111 G C -2.422 172.370 174.900 -0.180 0.000 1.349 111 G CA -0.665 44.317 45.100 -0.196 0.000 0.847 111 G HN -0.591 7.650 8.290 -0.396 -0.189 0.548 112 V N -4.323 115.520 119.914 -0.118 0.000 2.743 112 V HA 0.732 nan 4.120 nan 0.000 0.301 112 V C -0.576 175.490 176.094 -0.046 0.000 1.057 112 V CA -1.988 60.267 62.300 -0.076 0.000 1.006 112 V CB 1.002 32.792 31.823 -0.055 0.000 1.024 112 V HN -0.183 7.944 8.190 -0.104 0.000 0.473 113 V N -2.614 117.286 119.914 -0.024 0.000 2.841 113 V HA 0.680 nan 4.120 nan 0.000 0.310 113 V C -2.624 173.469 176.094 -0.001 0.000 1.090 113 V CA -4.091 58.203 62.300 -0.011 0.000 0.930 113 V CB 2.952 34.773 31.823 -0.003 0.000 1.014 113 V HN 0.852 9.033 8.190 -0.015 0.000 0.425 114 P HA 0.307 nan 4.420 nan 0.000 0.269 114 P C -1.267 176.039 177.300 0.010 0.000 1.209 114 P CA -0.207 62.896 63.100 0.005 0.000 0.776 114 P CB 0.502 32.203 31.700 0.003 0.000 0.876 115 L N 2.934 124.165 121.223 0.013 0.000 2.272 115 L HA 0.225 nan 4.340 nan 0.000 0.289 115 L C -0.399 176.479 176.870 0.013 0.000 1.032 115 L CA -1.135 53.714 54.840 0.015 0.000 0.810 115 L CB 1.066 43.136 42.059 0.017 0.000 1.205 115 L HN 0.402 8.639 8.230 0.012 0.000 0.422 116 A N 5.324 128.151 122.820 0.012 0.000 2.462 116 A HA -0.055 nan 4.320 nan 0.000 0.243 116 A C 0.699 178.289 177.584 0.010 0.000 1.076 116 A CA 1.112 53.155 52.037 0.010 0.000 0.773 116 A CB -0.028 18.977 19.000 0.009 0.000 1.010 116 A HN 0.609 8.767 8.150 0.012 0.000 0.493 117 G N 1.410 110.216 108.800 0.010 0.000 2.141 117 G HA2 -0.248 nan 3.960 nan 0.000 0.242 117 G HA3 -0.248 nan 3.960 nan 0.000 0.242 117 G C -0.487 174.419 174.900 0.011 0.000 0.982 117 G CA -0.168 44.937 45.100 0.008 0.000 0.662 117 G HN 0.301 8.596 8.290 0.010 0.000 0.527 118 T N -3.352 111.211 114.554 0.016 0.000 2.940 118 T HA 0.184 nan 4.350 nan 0.000 0.288 118 T C -0.639 174.079 174.700 0.031 0.000 1.045 118 T CA -2.122 59.993 62.100 0.024 0.000 1.018 118 T CB 2.464 71.346 68.868 0.023 0.000 1.151 118 T HN -0.558 7.651 8.240 0.015 0.041 0.529 119 N N 2.837 121.564 118.700 0.045 0.000 3.245 119 N HA -0.104 nan 4.740 nan 0.000 0.296 119 N C 0.401 175.930 175.510 0.031 0.000 1.254 119 N CA -0.834 52.246 53.050 0.050 0.000 1.190 119 N CB -0.752 37.784 38.487 0.083 0.000 1.460 119 N HN 0.517 8.928 8.380 0.051 0.000 0.538 120 G N 1.272 110.086 108.800 0.022 0.000 2.198 120 G HA2 -0.367 nan 3.960 nan 0.000 0.260 120 G HA3 -0.367 nan 3.960 nan 0.000 0.260 120 G C -0.184 174.723 174.900 0.012 0.000 1.025 120 G CA 0.263 45.371 45.100 0.015 0.000 0.769 120 G HN -0.357 7.887 8.290 0.022 0.059 0.507 121 E N -0.813 119.396 120.200 0.016 0.000 2.314 121 E HA 0.425 nan 4.350 nan 0.000 0.262 121 E C -1.028 175.578 176.600 0.011 0.000 1.093 121 E CA -0.563 55.845 56.400 0.014 0.000 0.908 121 E CB 1.480 31.191 29.700 0.018 0.000 1.091 121 E HN -0.571 7.781 8.360 0.019 0.019 0.425 122 T N -3.944 110.616 114.554 0.010 0.000 2.864 122 T HA 0.692 nan 4.350 nan 0.000 0.289 122 T C -1.456 173.256 174.700 0.020 0.000 1.082 122 T CA -2.098 60.008 62.100 0.010 0.000 1.009 122 T CB 2.667 71.535 68.868 0.000 0.000 1.234 122 T HN 0.236 8.482 8.240 0.010 0.000 0.526 123 T N 0.406 114.976 114.554 0.027 0.000 2.831 123 T HA 0.448 nan 4.350 nan 0.000 0.287 123 T C -1.824 172.909 174.700 0.054 0.000 1.070 123 T CA -1.835 60.297 62.100 0.054 0.000 1.010 123 T CB 3.036 71.942 68.868 0.063 0.000 1.264 123 T HN 0.450 8.701 8.240 0.019 0.000 0.532 124 T N 2.959 117.584 114.554 0.119 0.000 2.863 124 T HA 0.668 nan 4.350 nan 0.000 0.285 124 T C -0.912 173.880 174.700 0.153 0.000 1.009 124 T CA -0.413 61.717 62.100 0.050 0.000 0.989 124 T CB 1.745 70.587 68.868 -0.043 0.000 1.004 124 T HN 0.310 8.664 8.240 0.189 0.000 0.455 125 Q N 2.065 121.848 119.800 -0.028 0.000 2.240 125 Q HA 0.472 nan 4.340 nan 0.000 0.260 125 Q C 0.180 176.121 176.000 -0.099 0.000 1.018 125 Q CA -1.690 54.147 55.803 0.056 0.000 0.898 125 Q CB 2.068 30.815 28.738 0.016 0.000 1.301 125 Q HN 0.670 8.853 8.270 -0.145 0.000 0.469 126 G N -1.886 106.995 108.800 0.135 0.000 2.559 126 G HA2 -0.163 nan 3.960 nan 0.000 0.202 126 G HA3 -0.163 nan 3.960 nan 0.000 0.202 126 G C 0.033 175.182 174.900 0.416 0.000 0.992 126 G CA 0.504 45.679 45.100 0.125 0.000 0.764 126 G HN 0.413 8.820 8.290 0.197 0.000 0.525 127 L N 0.149 121.627 121.223 0.425 0.000 2.156 127 L HA -0.102 nan 4.340 nan 0.000 0.208 127 L C -0.700 176.269 176.870 0.164 0.000 1.095 127 L CA 1.379 56.384 54.840 0.274 0.000 0.770 127 L CB -0.289 41.873 42.059 0.173 0.000 0.914 127 L HN -0.037 8.433 8.230 0.400 0.000 0.439 128 D N -0.104 120.373 120.400 0.129 0.000 2.434 128 D HA -0.073 nan 4.640 nan 0.000 0.252 128 D C 1.152 177.493 176.300 0.069 0.000 1.185 128 D CA 1.548 55.596 54.000 0.080 0.000 0.886 128 D CB -0.727 40.107 40.800 0.057 0.000 1.148 128 D HN -0.246 8.206 8.370 0.137 0.000 0.483 129 G N 3.964 112.796 108.800 0.052 0.000 2.168 129 G HA2 -0.416 nan 3.960 nan 0.000 0.257 129 G HA3 -0.416 nan 3.960 nan 0.000 0.257 129 G C 0.782 175.712 174.900 0.050 0.000 0.997 129 G CA 0.868 45.989 45.100 0.035 0.000 0.708 129 G HN 0.505 8.825 8.290 0.049 0.000 0.520 130 L N 0.130 121.407 121.223 0.091 0.000 2.046 130 L HA -0.360 nan 4.340 nan 0.000 0.208 130 L C 0.823 177.750 176.870 0.094 0.000 1.077 130 L CA 3.063 57.983 54.840 0.133 0.000 0.747 130 L CB -0.312 41.861 42.059 0.191 0.000 0.896 130 L HN -0.357 7.880 8.230 0.097 0.051 0.432 131 S N -0.631 115.105 115.700 0.061 0.000 2.359 131 S HA -0.421 nan 4.470 nan 0.000 0.224 131 S C 1.915 176.527 174.600 0.019 0.000 1.035 131 S CA 3.420 61.643 58.200 0.040 0.000 1.018 131 S CB -0.741 62.475 63.200 0.026 0.000 0.876 131 S HN 0.471 8.815 8.310 0.057 0.000 0.448 132 E N 2.985 123.187 120.200 0.002 0.000 2.110 132 E HA -0.277 nan 4.350 nan 0.000 0.193 132 E C 2.340 178.895 176.600 -0.076 0.000 0.988 132 E CA 3.224 59.607 56.400 -0.028 0.000 0.804 132 E CB -0.718 28.965 29.700 -0.030 0.000 0.745 132 E HN -0.062 8.304 8.360 0.010 0.000 0.458 133 R N 0.020 120.468 120.500 -0.087 0.000 2.092 133 R HA -0.238 nan 4.340 nan 0.000 0.231 133 R C 2.464 178.606 176.300 -0.263 0.000 1.119 133 R CA 3.485 59.434 56.100 -0.252 0.000 0.970 133 R CB -0.131 30.091 30.300 -0.130 0.000 0.864 133 R HN -0.359 7.819 8.270 -0.030 0.074 0.440 134 C N -0.824 118.489 119.300 0.021 0.000 2.429 134 C HA -0.245 nan 4.460 nan 0.000 0.277 134 C C 1.922 176.959 174.990 0.077 0.000 1.262 134 C CA 4.143 63.247 59.018 0.144 0.000 1.733 134 C CB -1.963 25.856 27.740 0.133 0.000 2.010 134 C HN 0.319 8.498 8.230 0.044 0.078 0.483 135 A N -0.616 122.213 122.820 0.017 0.000 1.908 135 A HA -0.377 nan 4.320 nan 0.000 0.218 135 A C 1.903 179.488 177.584 0.001 0.000 1.181 135 A CA 3.488 55.531 52.037 0.011 0.000 0.627 135 A CB -0.990 18.008 19.000 -0.004 0.000 0.818 135 A HN 0.296 8.448 8.150 0.005 0.000 0.445 136 Q N -0.814 118.947 119.800 -0.065 0.000 2.016 136 Q HA -0.269 nan 4.340 nan 0.000 0.200 136 Q C 2.355 178.371 176.000 0.026 0.000 0.978 136 Q CA 2.675 58.437 55.803 -0.068 0.000 0.833 136 Q CB -0.306 28.323 28.738 -0.182 0.000 0.895 136 Q HN -0.406 7.797 8.270 -0.111 0.000 0.427 137 Y N -0.976 119.366 120.300 0.070 0.000 2.165 137 Y HA -0.466 nan 4.550 nan 0.000 0.286 137 Y C 2.385 178.283 175.900 -0.004 0.000 1.155 137 Y CA 2.178 60.294 58.100 0.026 0.000 1.164 137 Y CB -0.736 37.733 38.460 0.015 0.000 0.978 137 Y HN 0.228 8.377 8.280 -0.217 0.000 0.513 138 K N -0.904 119.599 120.400 0.172 0.000 2.032 138 K HA -0.376 nan 4.320 nan 0.000 0.209 138 K C 2.667 179.309 176.600 0.070 0.000 1.048 138 K CA 2.769 59.115 56.287 0.098 0.000 0.927 138 K CB -0.403 32.143 32.500 0.077 0.000 0.712 138 K HN 0.293 8.647 8.250 0.173 0.000 0.441 139 K N -1.249 119.191 120.400 0.066 0.000 2.097 139 K HA -0.228 nan 4.320 nan 0.000 0.206 139 K C 1.405 178.039 176.600 0.056 0.000 1.049 139 K CA 2.596 58.914 56.287 0.051 0.000 0.933 139 K CB -0.086 32.440 32.500 0.043 0.000 0.717 139 K HN -0.658 7.633 8.250 0.069 0.000 0.442 140 D N -3.849 116.598 120.400 0.078 0.000 2.324 140 D HA 0.023 nan 4.640 nan 0.000 0.235 140 D C 0.268 176.560 176.300 -0.012 0.000 1.095 140 D CA 0.068 54.101 54.000 0.056 0.000 0.871 140 D CB -0.161 40.709 40.800 0.116 0.000 0.906 140 D HN -0.341 7.985 8.370 0.106 0.108 0.522 141 G N -2.781 106.021 108.800 0.003 0.000 2.201 141 G HA2 -0.375 nan 3.960 nan 0.000 0.212 141 G HA3 -0.375 nan 3.960 nan 0.000 0.212 141 G C -1.113 173.768 174.900 -0.030 0.000 0.994 141 G CA -0.083 45.006 45.100 -0.018 0.000 0.644 141 G HN -0.325 7.798 8.290 0.029 0.184 0.508 142 A N 0.011 122.809 122.820 -0.036 0.000 2.331 142 A HA 0.307 nan 4.320 nan 0.000 0.283 142 A C -1.196 176.386 177.584 -0.004 0.000 1.142 142 A CA -0.280 51.709 52.037 -0.080 0.000 0.812 142 A CB 0.704 19.607 19.000 -0.163 0.000 1.074 142 A HN -0.258 7.891 8.150 -0.003 0.000 0.497 143 D N 0.057 120.476 120.400 0.031 0.000 2.449 143 D HA 0.433 nan 4.640 nan 0.000 0.210 143 D C -0.886 175.551 176.300 0.228 0.000 1.094 143 D CA 1.144 55.222 54.000 0.131 0.000 0.846 143 D CB 3.143 44.040 40.800 0.162 0.000 1.003 143 D HN 0.531 8.902 8.370 0.002 0.000 0.504 144 F N -3.394 116.562 119.950 0.009 0.000 2.643 144 F HA 0.924 nan 4.527 nan 0.000 0.314 144 F C -2.862 172.958 175.800 0.034 0.000 1.096 144 F CA -2.112 55.899 58.000 0.019 0.000 0.953 144 F CB 3.132 42.135 39.000 0.004 0.000 1.345 144 F HN -0.657 7.578 8.300 -0.108 0.000 0.468 145 A N -2.212 120.710 122.820 0.170 0.000 2.486 145 A HA 0.783 nan 4.320 nan 0.000 0.289 145 A C -2.421 175.344 177.584 0.302 0.000 1.176 145 A CA -1.544 50.564 52.037 0.118 0.000 0.757 145 A CB 3.413 22.566 19.000 0.256 0.000 1.337 145 A HN 0.817 9.173 8.150 0.343 0.000 0.423 146 K N -1.283 119.255 120.400 0.231 0.000 2.501 146 K HA 0.714 nan 4.320 nan 0.000 0.252 146 K C -2.742 173.909 176.600 0.084 0.000 0.934 146 K CA -1.204 55.210 56.287 0.212 0.000 0.797 146 K CB 4.238 36.819 32.500 0.134 0.000 1.270 146 K HN -0.025 8.310 8.250 0.142 0.000 0.431 147 W N 5.968 127.077 121.300 -0.318 0.000 2.900 147 W HA 0.305 nan 4.660 nan 0.000 0.336 147 W C -3.102 173.235 176.519 -0.303 0.000 1.064 147 W CA -1.353 55.656 57.345 -0.560 0.000 1.237 147 W CB 3.792 32.344 29.460 -1.513 0.000 1.391 147 W HN 0.009 8.248 8.180 0.099 0.000 0.468 148 R N 6.507 126.904 120.500 -0.172 0.000 2.338 148 R HA 0.494 nan 4.340 nan 0.000 0.317 148 R C -1.091 175.187 176.300 -0.037 0.000 0.968 148 R CA -0.988 55.080 56.100 -0.054 0.000 0.849 148 R CB 2.123 32.371 30.300 -0.086 0.000 1.128 148 R HN -0.090 8.189 8.270 -0.469 -0.291 0.448 149 C N 7.707 127.053 119.300 0.078 0.000 2.411 149 C HA 0.348 nan 4.460 nan 0.000 0.330 149 C C -1.648 173.359 174.990 0.028 0.000 1.224 149 C CA -0.676 58.389 59.018 0.079 0.000 1.770 149 C CB 2.322 30.136 27.740 0.124 0.000 2.297 149 C HN 0.605 8.889 8.230 0.089 0.000 0.507 150 V N 3.678 123.599 119.914 0.012 0.000 2.448 150 V HA 0.716 nan 4.120 nan 0.000 0.295 150 V C -1.660 174.436 176.094 0.004 0.000 1.025 150 V CA -0.717 61.585 62.300 0.002 0.000 0.859 150 V CB 1.035 32.852 31.823 -0.010 0.000 0.988 150 V HN 0.546 8.745 8.190 0.014 0.000 0.431 151 L N 5.866 127.089 121.223 -0.000 0.000 2.341 151 L HA 0.534 nan 4.340 nan 0.000 0.267 151 L C -1.804 175.057 176.870 -0.015 0.000 1.009 151 L CA -0.893 53.944 54.840 -0.005 0.000 0.819 151 L CB 3.783 45.837 42.059 -0.007 0.000 1.323 151 L HN 0.916 9.146 8.230 -0.000 0.000 0.425 152 K N 0.313 120.702 120.400 -0.020 0.000 2.427 152 K HA 0.311 nan 4.320 nan 0.000 0.252 152 K C -1.320 175.247 176.600 -0.055 0.000 0.931 152 K CA -1.309 54.960 56.287 -0.031 0.000 0.793 152 K CB 3.094 35.586 32.500 -0.014 0.000 1.211 152 K HN 0.196 8.438 8.250 -0.014 0.000 0.426 153 I N 4.918 125.423 120.570 -0.109 0.000 2.365 153 I HA 0.148 nan 4.170 nan 0.000 0.291 153 I C -0.797 175.262 176.117 -0.098 0.000 1.004 153 I CA -0.415 60.781 61.300 -0.173 0.000 1.311 153 I CB 0.814 38.522 38.000 -0.486 0.000 1.401 153 I HN 0.453 8.595 8.210 -0.112 0.000 0.491 154 G N 4.668 113.425 108.800 -0.071 0.000 2.561 154 G HA2 0.204 nan 3.960 nan 0.000 0.310 154 G HA3 0.204 nan 3.960 nan 0.000 0.310 154 G C -0.539 174.310 174.900 -0.085 0.000 1.292 154 G CA 0.119 45.185 45.100 -0.056 0.000 0.811 154 G HN 0.077 8.327 8.290 -0.067 0.000 0.482 155 E N 1.742 121.841 120.200 -0.168 0.000 2.038 155 E HA -0.304 nan 4.350 nan 0.000 0.195 155 E C 1.101 177.553 176.600 -0.247 0.000 1.000 155 E CA 2.783 59.009 56.400 -0.290 0.000 0.803 155 E CB 0.190 29.568 29.700 -0.537 0.000 0.750 155 E HN 0.641 8.898 8.360 -0.171 0.000 0.448 156 H N -5.316 113.759 119.070 0.007 0.000 2.528 156 H HA 0.255 nan 4.556 nan 0.000 0.282 156 H C -1.527 173.806 175.328 0.008 0.000 1.097 156 H CA -1.214 54.840 56.048 0.009 0.000 1.121 156 H CB 1.038 30.805 29.762 0.008 0.000 1.590 156 H HN 0.033 8.157 8.280 -0.261 0.000 0.553 157 T N -2.663 111.929 114.554 0.064 0.000 2.893 157 T HA 0.355 nan 4.350 nan 0.000 0.291 157 T C -2.279 172.427 174.700 0.009 0.000 1.028 157 T CA -3.689 58.434 62.100 0.037 0.000 0.995 157 T CB 1.964 70.843 68.868 0.019 0.000 1.051 157 T HN -0.911 7.168 8.240 0.011 0.167 0.470 158 P HA 0.200 nan 4.420 nan 0.000 0.275 158 P C -1.387 175.934 177.300 0.035 0.000 1.227 158 P CA -0.775 62.335 63.100 0.017 0.000 0.781 158 P CB 0.932 32.633 31.700 0.003 0.000 0.906 159 S N 3.062 118.784 115.700 0.037 0.000 2.669 159 S HA 0.064 nan 4.470 nan 0.000 0.270 159 S C 1.394 176.010 174.600 0.027 0.000 1.225 159 S CA -1.139 57.085 58.200 0.040 0.000 0.991 159 S CB 2.795 66.018 63.200 0.039 0.000 0.987 159 S HN 0.182 8.990 8.310 0.033 -0.478 0.552 160 A N 2.901 125.736 122.820 0.025 0.000 1.917 160 A HA -0.216 nan 4.320 nan 0.000 0.219 160 A C 2.143 179.735 177.584 0.013 0.000 1.182 160 A CA 3.018 55.066 52.037 0.018 0.000 0.633 160 A CB -0.768 18.242 19.000 0.017 0.000 0.819 160 A HN 0.732 8.899 8.150 0.028 0.000 0.448 161 L N -1.107 120.125 121.223 0.014 0.000 2.017 161 L HA -0.289 nan 4.340 nan 0.000 0.208 161 L C 1.653 178.531 176.870 0.013 0.000 1.073 161 L CA 2.330 57.178 54.840 0.013 0.000 0.745 161 L CB -0.541 41.527 42.059 0.014 0.000 0.894 161 L HN -0.506 7.725 8.230 0.016 0.009 0.432 162 A N -0.680 122.149 122.820 0.015 0.000 1.902 162 A HA -0.344 nan 4.320 nan 0.000 0.217 162 A C 2.226 179.815 177.584 0.009 0.000 1.181 162 A CA 3.091 55.137 52.037 0.014 0.000 0.623 162 A CB -0.863 18.147 19.000 0.016 0.000 0.818 162 A HN -0.671 7.489 8.150 0.017 0.000 0.443 163 I N -1.143 119.430 120.570 0.005 0.000 2.202 163 I HA -0.578 nan 4.170 nan 0.000 0.242 163 I C 1.826 177.937 176.117 -0.010 0.000 1.091 163 I CA 4.282 65.579 61.300 -0.005 0.000 1.368 163 I CB -0.030 37.966 38.000 -0.007 0.000 1.058 163 I HN -0.162 8.053 8.210 0.008 0.000 0.410 164 M N 0.063 119.661 119.600 -0.003 0.000 2.086 164 M HA -0.477 nan 4.480 nan 0.000 0.261 164 M C 1.784 178.081 176.300 -0.005 0.000 1.067 164 M CA 4.056 59.354 55.300 -0.004 0.000 1.116 164 M CB 0.039 32.642 32.600 0.005 0.000 1.348 164 M HN -0.128 8.164 8.290 0.002 0.000 0.407 165 E N -0.320 119.882 120.200 0.003 0.000 2.028 165 E HA -0.362 nan 4.350 nan 0.000 0.191 165 E C 2.285 178.886 176.600 0.002 0.000 0.988 165 E CA 3.020 59.425 56.400 0.008 0.000 0.799 165 E CB -0.575 29.137 29.700 0.020 0.000 0.755 165 E HN 0.152 8.516 8.360 0.007 0.000 0.447 166 N N -0.529 118.175 118.700 0.007 0.000 2.166 166 N HA -0.314 nan 4.740 nan 0.000 0.186 166 N C 2.241 177.731 175.510 -0.033 0.000 1.019 166 N CA 3.275 56.333 53.050 0.013 0.000 0.856 166 N CB 0.001 38.501 38.487 0.022 0.000 0.993 166 N HN -0.113 8.272 8.380 0.008 0.000 0.426 167 A N -0.637 122.150 122.820 -0.055 0.000 1.930 167 A HA -0.251 nan 4.320 nan 0.000 0.217 167 A C 1.998 179.492 177.584 -0.151 0.000 1.175 167 A CA 3.072 55.048 52.037 -0.102 0.000 0.627 167 A CB -0.534 18.415 19.000 -0.085 0.000 0.815 167 A HN 0.005 8.133 8.150 -0.038 0.000 0.443 168 N N -1.763 116.868 118.700 -0.116 0.000 2.188 168 N HA -0.211 nan 4.740 nan 0.000 0.184 168 N C 2.078 177.439 175.510 -0.249 0.000 1.018 168 N CA 2.979 55.932 53.050 -0.162 0.000 0.858 168 N CB 0.409 38.877 38.487 -0.032 0.000 0.989 168 N HN -0.429 7.825 8.380 -0.067 0.086 0.426 169 V N 0.889 120.705 119.914 -0.163 0.000 2.548 169 V HA -0.292 nan 4.120 nan 0.000 0.249 169 V C 1.225 177.074 176.094 -0.408 0.000 1.055 169 V CA 3.211 65.389 62.300 -0.202 0.000 1.065 169 V CB -0.572 31.239 31.823 -0.019 0.000 0.681 169 V HN -0.111 8.022 8.190 -0.096 0.000 0.462 170 L N -0.893 120.132 121.223 -0.330 0.000 2.046 170 L HA -0.434 nan 4.340 nan 0.000 0.208 170 L C 1.722 178.422 176.870 -0.283 0.000 1.077 170 L CA 3.612 58.262 54.840 -0.317 0.000 0.747 170 L CB -0.737 41.216 42.059 -0.176 0.000 0.896 170 L HN -0.295 7.804 8.230 -0.218 0.000 0.432 171 A N -1.253 121.339 122.820 -0.380 0.000 1.908 171 A HA -0.366 nan 4.320 nan 0.000 0.218 171 A C 2.189 179.486 177.584 -0.479 0.000 1.181 171 A CA 3.299 55.045 52.037 -0.485 0.000 0.627 171 A CB -0.947 17.590 19.000 -0.772 0.000 0.818 171 A HN -0.208 7.719 8.150 -0.373 0.000 0.445 172 R N -1.740 118.467 120.500 -0.488 0.000 2.083 172 R HA -0.319 nan 4.340 nan 0.000 0.237 172 R C 2.116 178.276 176.300 -0.232 0.000 1.137 172 R CA 2.541 58.485 56.100 -0.260 0.000 0.951 172 R CB -0.496 29.693 30.300 -0.185 0.000 0.851 172 R HN -0.387 7.567 8.270 -0.526 0.000 0.434 173 Y N 0.676 120.673 120.300 -0.505 0.000 2.181 173 Y HA -0.434 nan 4.550 nan 0.000 0.288 173 Y C 1.173 176.913 175.900 -0.267 0.000 1.146 173 Y CA 3.171 60.960 58.100 -0.518 0.000 1.164 173 Y CB -0.509 37.292 38.460 -1.099 0.000 0.982 173 Y HN -0.197 7.843 8.280 -0.400 0.000 0.515 174 A N -1.999 120.373 122.820 -0.746 0.000 1.902 174 A HA -0.446 nan 4.320 nan 0.000 0.217 174 A C 2.047 179.420 177.584 -0.351 0.000 1.181 174 A CA 3.010 54.641 52.037 -0.677 0.000 0.623 174 A CB -1.303 17.468 19.000 -0.382 0.000 0.818 174 A HN 0.342 8.222 8.150 -0.448 0.000 0.443 175 S N -0.989 114.579 115.700 -0.220 0.000 2.356 175 S HA -0.293 nan 4.470 nan 0.000 0.223 175 S C 2.125 176.678 174.600 -0.078 0.000 1.032 175 S CA 3.382 61.531 58.200 -0.085 0.000 1.005 175 S CB -0.181 63.014 63.200 -0.008 0.000 0.867 175 S HN -0.395 7.771 8.310 -0.240 0.000 0.449 176 I N 1.011 121.523 120.570 -0.098 0.000 2.226 176 I HA -0.527 nan 4.170 nan 0.000 0.245 176 I C 1.663 177.749 176.117 -0.052 0.000 1.100 176 I CA 3.852 65.124 61.300 -0.048 0.000 1.374 176 I CB -0.025 37.966 38.000 -0.014 0.000 1.057 176 I HN -0.544 7.587 8.210 -0.131 0.000 0.413 177 C N -0.844 118.378 119.300 -0.131 0.000 2.432 177 C HA -0.445 nan 4.460 nan 0.000 0.277 177 C C 2.515 177.478 174.990 -0.046 0.000 1.249 177 C CA 4.190 63.152 59.018 -0.094 0.000 1.725 177 C CB -1.766 25.838 27.740 -0.226 0.000 2.028 177 C HN -0.201 7.882 8.230 -0.246 0.000 0.477 178 Q N -1.575 118.187 119.800 -0.063 0.000 2.226 178 Q HA -0.357 nan 4.340 nan 0.000 0.204 178 Q C 3.182 179.182 176.000 0.000 0.000 0.975 178 Q CA 3.113 58.911 55.803 -0.009 0.000 0.866 178 Q CB -0.418 28.328 28.738 0.013 0.000 0.915 178 Q HN -0.151 8.049 8.270 -0.115 0.000 0.440 179 Q N -1.840 117.957 119.800 -0.005 0.000 2.369 179 Q HA -0.147 nan 4.340 nan 0.000 0.206 179 Q C 0.696 176.700 176.000 0.007 0.000 0.963 179 Q CA 1.873 57.677 55.803 0.002 0.000 0.894 179 Q CB -0.243 28.497 28.738 0.004 0.000 0.965 179 Q HN -0.419 7.733 8.270 -0.017 0.107 0.475 180 N N -2.468 116.241 118.700 0.014 0.000 2.275 180 N HA 0.087 nan 4.740 nan 0.000 0.236 180 N C -0.470 175.061 175.510 0.034 0.000 1.154 180 N CA -0.116 52.950 53.050 0.026 0.000 0.866 180 N CB 0.757 39.267 38.487 0.038 0.000 1.093 180 N HN -0.560 7.656 8.380 0.010 0.171 0.515 181 G N -0.048 108.770 108.800 0.029 0.000 2.198 181 G HA2 -0.512 nan 3.960 nan 0.000 0.260 181 G HA3 -0.512 nan 3.960 nan 0.000 0.260 181 G C -1.397 173.538 174.900 0.058 0.000 1.025 181 G CA 1.031 46.154 45.100 0.039 0.000 0.769 181 G HN -0.424 7.719 8.290 0.020 0.159 0.507 182 I N -0.458 120.146 120.570 0.057 0.000 2.378 182 I HA 0.352 nan 4.170 nan 0.000 0.291 182 I C -0.730 175.430 176.117 0.072 0.000 0.992 182 I CA -0.895 60.452 61.300 0.079 0.000 1.154 182 I CB 2.060 40.110 38.000 0.083 0.000 1.315 182 I HN -0.386 7.824 8.210 0.040 0.024 0.448 183 V N 8.099 128.085 119.914 0.119 0.000 2.470 183 V HA 0.159 nan 4.120 nan 0.000 0.276 183 V C -1.924 174.239 176.094 0.116 0.000 1.040 183 V CA -2.660 59.700 62.300 0.100 0.000 1.008 183 V CB -0.062 31.819 31.823 0.098 0.000 0.990 183 V HN 0.550 8.836 8.190 0.159 0.000 0.477 184 P HA 0.521 nan 4.420 nan 0.000 0.296 184 P C -1.472 175.904 177.300 0.127 0.000 1.306 184 P CA -1.551 61.557 63.100 0.014 0.000 0.818 184 P CB 0.904 32.362 31.700 -0.404 0.000 0.969 185 I N 3.639 124.380 120.570 0.285 0.000 2.312 185 I HA 0.185 nan 4.170 nan 0.000 0.291 185 I C -0.123 176.147 176.117 0.255 0.000 1.031 185 I CA -0.503 60.916 61.300 0.198 0.000 1.293 185 I CB 0.532 38.654 38.000 0.204 0.000 1.403 185 I HN 0.351 8.696 8.210 0.404 0.108 0.484 186 V N 9.978 129.975 119.914 0.139 0.000 2.389 186 V HA 0.053 nan 4.120 nan 0.000 0.264 186 V C -1.631 174.493 176.094 0.050 0.000 1.049 186 V CA -0.263 62.105 62.300 0.114 0.000 0.932 186 V CB -0.691 31.118 31.823 -0.023 0.000 1.011 186 V HN 0.936 9.162 8.190 0.060 0.000 0.475 187 E N 8.432 128.679 120.200 0.078 0.000 2.173 187 E HA 0.601 nan 4.350 nan 0.000 0.249 187 E C -2.713 173.913 176.600 0.044 0.000 0.923 187 E CA -4.001 52.430 56.400 0.051 0.000 0.754 187 E CB 2.782 32.521 29.700 0.065 0.000 1.177 187 E HN -0.090 8.342 8.360 0.119 0.000 0.430 188 P HA 0.216 nan 4.420 nan 0.000 0.227 188 P C -1.816 175.493 177.300 0.015 0.000 1.815 188 P CA -0.907 62.198 63.100 0.007 0.000 1.134 188 P CB -0.698 30.985 31.700 -0.027 0.000 1.795 189 E N 3.789 124.004 120.200 0.025 0.000 2.257 189 E HA 0.028 nan 4.350 nan 0.000 0.278 189 E C -1.355 175.254 176.600 0.016 0.000 1.049 189 E CA -0.801 55.616 56.400 0.028 0.000 0.876 189 E CB 0.925 30.644 29.700 0.032 0.000 1.035 189 E HN -0.005 8.372 8.360 0.029 0.000 0.419 190 I N 7.253 127.834 120.570 0.018 0.000 2.297 190 I HA 0.129 nan 4.170 nan 0.000 0.291 190 I C 0.055 176.175 176.117 0.003 0.000 1.033 190 I CA -0.659 60.642 61.300 0.001 0.000 1.253 190 I CB 0.097 38.094 38.000 -0.005 0.000 1.396 190 I HN -0.066 8.454 8.210 0.031 -0.292 0.476 191 L N 8.960 130.178 121.223 -0.010 0.000 2.514 191 L HA -0.015 nan 4.340 nan 0.000 0.280 191 L C -0.167 176.690 176.870 -0.022 0.000 1.223 191 L CA -0.447 54.379 54.840 -0.023 0.000 0.864 191 L CB -0.521 41.523 42.059 -0.025 0.000 1.118 191 L HN 0.602 8.824 8.230 -0.014 0.000 0.494 192 P HA 0.091 nan 4.420 nan 0.000 0.249 192 P C -1.295 175.863 177.300 -0.236 0.000 1.229 192 P CA -0.050 62.947 63.100 -0.172 0.000 0.788 192 P CB 0.266 31.730 31.700 -0.394 0.000 1.072 193 D N 0.060 120.373 120.400 -0.145 0.000 2.425 193 D HA -0.106 nan 4.640 nan 0.000 0.247 193 D C -0.286 176.073 176.300 0.099 0.000 1.147 193 D CA 2.582 56.553 54.000 -0.048 0.000 0.879 193 D CB 0.005 40.798 40.800 -0.013 0.000 1.179 193 D HN -0.373 7.850 8.370 -0.113 0.079 0.456 194 G N 0.536 109.381 108.800 0.075 0.000 2.355 194 G HA2 -0.224 nan 3.960 nan 0.000 0.619 194 G HA3 -0.224 nan 3.960 nan 0.000 0.619 194 G C -2.117 172.777 174.900 -0.010 0.000 1.337 194 G CA -0.346 44.822 45.100 0.113 0.000 0.993 194 G HN -0.536 7.785 8.290 0.051 0.000 0.599 195 D N -3.267 117.139 120.400 0.010 0.000 2.395 195 D HA 0.047 nan 4.640 nan 0.000 0.213 195 D C -0.587 175.669 176.300 -0.073 0.000 1.110 195 D CA -0.294 53.676 54.000 -0.050 0.000 0.835 195 D CB -0.587 40.214 40.800 0.002 0.000 0.965 195 D HN 0.179 8.597 8.370 0.080 0.000 0.505 196 H N -2.725 116.362 119.070 0.028 0.000 2.836 196 H HA -0.073 nan 4.556 nan 0.000 0.368 196 H C -0.320 175.033 175.328 0.041 0.000 1.164 196 H CA -1.011 55.053 56.048 0.026 0.000 1.425 196 H CB 1.178 30.949 29.762 0.014 0.000 1.414 196 H HN -0.473 7.744 8.280 0.017 0.074 0.614 197 D N -0.863 119.607 120.400 0.117 0.000 2.511 197 D HA 0.026 nan 4.640 nan 0.000 0.276 197 D C 0.609 176.928 176.300 0.032 0.000 1.220 197 D CA -0.841 53.208 54.000 0.082 0.000 1.077 197 D CB 0.913 41.813 40.800 0.167 0.000 1.126 197 D HN 0.162 8.630 8.370 0.163 0.000 0.583 198 L N -0.567 120.550 121.223 -0.176 0.000 2.017 198 L HA -0.256 nan 4.340 nan 0.000 0.208 198 L C 1.484 178.320 176.870 -0.056 0.000 1.073 198 L CA 3.509 58.178 54.840 -0.284 0.000 0.745 198 L CB 0.205 41.826 42.059 -0.729 0.000 0.894 198 L HN -0.261 7.852 8.230 -0.194 0.000 0.432 199 K N -2.073 118.334 120.400 0.012 0.000 2.097 199 K HA -0.441 nan 4.320 nan 0.000 0.206 199 K C 2.340 178.998 176.600 0.097 0.000 1.049 199 K CA 3.634 59.958 56.287 0.062 0.000 0.933 199 K CB -0.485 32.055 32.500 0.067 0.000 0.717 199 K HN -0.102 8.212 8.250 0.023 -0.051 0.442 200 R N -0.504 120.056 120.500 0.099 0.000 2.073 200 R HA -0.246 nan 4.340 nan 0.000 0.234 200 R C 1.934 178.301 176.300 0.113 0.000 1.134 200 R CA 3.292 59.456 56.100 0.107 0.000 0.952 200 R CB -0.165 30.200 30.300 0.108 0.000 0.850 200 R HN -0.211 8.414 8.270 0.097 -0.297 0.433 201 C N -0.388 118.986 119.300 0.123 0.000 2.429 201 C HA -0.283 nan 4.460 nan 0.000 0.277 201 C C 1.710 176.740 174.990 0.067 0.000 1.262 201 C CA 3.131 62.195 59.018 0.076 0.000 1.733 201 C CB -1.928 25.892 27.740 0.134 0.000 2.010 201 C HN -0.345 7.991 8.230 0.177 0.000 0.483 202 Q N 0.297 120.144 119.800 0.078 0.000 2.084 202 Q HA -0.396 nan 4.340 nan 0.000 0.202 202 Q C 1.740 177.794 176.000 0.090 0.000 0.978 202 Q CA 3.467 59.314 55.803 0.073 0.000 0.844 202 Q CB -0.143 28.638 28.738 0.071 0.000 0.898 202 Q HN -0.107 8.207 8.270 0.074 0.000 0.426 203 Y N 0.103 120.410 120.300 0.011 0.000 2.128 203 Y HA -0.496 nan 4.550 nan 0.000 0.284 203 Y C 2.067 177.969 175.900 0.004 0.000 1.154 203 Y CA 3.942 62.049 58.100 0.011 0.000 1.149 203 Y CB 0.125 38.591 38.460 0.010 0.000 0.976 203 Y HN -0.115 8.309 8.280 0.240 0.000 0.505 204 V N -1.848 118.117 119.914 0.085 0.000 2.295 204 V HA -0.564 nan 4.120 nan 0.000 0.246 204 V C 1.964 178.023 176.094 -0.058 0.000 1.049 204 V CA 4.656 66.952 62.300 -0.006 0.000 1.024 204 V CB -1.208 30.623 31.823 0.013 0.000 0.648 204 V HN 0.010 8.310 8.190 0.183 0.000 0.447 205 T N 1.904 116.443 114.554 -0.025 0.000 2.720 205 T HA -0.415 nan 4.350 nan 0.000 0.268 205 T C 1.861 176.539 174.700 -0.038 0.000 1.037 205 T CA 5.267 67.358 62.100 -0.016 0.000 1.144 205 T CB -0.721 68.158 68.868 0.018 0.000 0.864 205 T HN 0.300 8.542 8.240 0.003 0.000 0.444 206 E N 0.959 121.116 120.200 -0.071 0.000 2.077 206 E HA -0.379 nan 4.350 nan 0.000 0.193 206 E C 2.449 178.979 176.600 -0.116 0.000 0.989 206 E CA 3.292 59.640 56.400 -0.087 0.000 0.800 206 E CB -0.221 29.412 29.700 -0.112 0.000 0.746 206 E HN -0.181 8.134 8.360 -0.074 0.000 0.452 207 K N -1.053 119.230 120.400 -0.195 0.000 2.057 207 K HA -0.151 nan 4.320 nan 0.000 0.206 207 K C 2.671 179.222 176.600 -0.081 0.000 1.050 207 K CA 2.064 58.250 56.287 -0.167 0.000 0.935 207 K CB -0.537 31.825 32.500 -0.230 0.000 0.715 207 K HN -0.605 7.491 8.250 -0.256 0.000 0.439 208 V N 0.928 120.803 119.914 -0.065 0.000 2.307 208 V HA -0.325 nan 4.120 nan 0.000 0.245 208 V C 1.940 178.019 176.094 -0.026 0.000 1.045 208 V CA 4.720 66.996 62.300 -0.039 0.000 1.024 208 V CB -0.657 31.147 31.823 -0.032 0.000 0.651 208 V HN 0.119 8.262 8.190 -0.078 0.000 0.449 209 L N -2.144 119.077 121.223 -0.003 0.000 2.083 209 L HA -0.427 nan 4.340 nan 0.000 0.209 209 L C 1.947 178.888 176.870 0.119 0.000 1.083 209 L CA 3.312 58.187 54.840 0.058 0.000 0.752 209 L CB -1.000 41.111 42.059 0.085 0.000 0.899 209 L HN 0.097 8.319 8.230 -0.013 0.000 0.433 210 A N -1.181 121.676 122.820 0.061 0.000 1.902 210 A HA -0.366 nan 4.320 nan 0.000 0.217 210 A C 1.751 179.365 177.584 0.050 0.000 1.181 210 A CA 3.111 55.189 52.037 0.068 0.000 0.623 210 A CB -1.098 17.911 19.000 0.015 0.000 0.818 210 A HN -0.261 7.899 8.150 0.017 0.000 0.443 211 A N -1.968 120.855 122.820 0.005 0.000 1.902 211 A HA -0.279 nan 4.320 nan 0.000 0.217 211 A C 2.069 179.623 177.584 -0.049 0.000 1.181 211 A CA 3.093 55.120 52.037 -0.016 0.000 0.623 211 A CB -0.653 18.331 19.000 -0.026 0.000 0.818 211 A HN -0.520 7.625 8.150 -0.007 0.000 0.443 212 V N -0.078 119.779 119.914 -0.094 0.000 2.255 212 V HA -0.470 nan 4.120 nan 0.000 0.247 212 V C 1.983 177.875 176.094 -0.338 0.000 1.051 212 V CA 4.988 67.146 62.300 -0.237 0.000 1.018 212 V CB -0.879 30.750 31.823 -0.323 0.000 0.641 212 V HN -0.017 8.068 8.190 -0.064 0.067 0.445 213 Y N -2.086 118.189 120.300 -0.041 0.000 2.352 213 Y HA -0.395 nan 4.550 nan 0.000 0.292 213 Y C 2.062 177.950 175.900 -0.019 0.000 1.136 213 Y CA 3.694 61.774 58.100 -0.033 0.000 1.227 213 Y CB -0.715 37.727 38.460 -0.030 0.000 0.991 213 Y HN -0.070 8.213 8.280 0.005 0.000 0.545 214 K N 0.179 120.623 120.400 0.074 0.000 2.057 214 K HA -0.338 nan 4.320 nan 0.000 0.206 214 K C 1.930 178.544 176.600 0.022 0.000 1.050 214 K CA 1.847 58.164 56.287 0.049 0.000 0.935 214 K CB -0.769 31.751 32.500 0.034 0.000 0.715 214 K HN -0.221 8.068 8.250 0.065 0.000 0.439 215 A N -0.585 122.227 122.820 -0.014 0.000 1.902 215 A HA -0.191 nan 4.320 nan 0.000 0.217 215 A C 2.363 179.944 177.584 -0.005 0.000 1.181 215 A CA 3.054 55.089 52.037 -0.004 0.000 0.623 215 A CB -0.894 18.052 19.000 -0.090 0.000 0.818 215 A HN -0.194 7.934 8.150 -0.037 0.000 0.443 216 L N -3.173 118.000 121.223 -0.082 0.000 2.083 216 L HA -0.431 nan 4.340 nan 0.000 0.209 216 L C 2.025 178.905 176.870 0.017 0.000 1.083 216 L CA 2.935 57.734 54.840 -0.068 0.000 0.752 216 L CB -0.641 41.346 42.059 -0.120 0.000 0.899 216 L HN 0.146 8.299 8.230 -0.129 0.000 0.433 217 S N -0.823 114.900 115.700 0.039 0.000 2.368 217 S HA -0.275 nan 4.470 nan 0.000 0.224 217 S C 2.613 177.193 174.600 -0.034 0.000 1.029 217 S CA 3.483 61.709 58.200 0.043 0.000 0.988 217 S CB -0.266 62.970 63.200 0.061 0.000 0.838 217 S HN -0.150 8.090 8.310 0.042 0.094 0.462 218 D N 2.253 122.628 120.400 -0.042 0.000 2.144 218 D HA -0.202 nan 4.640 nan 0.000 0.199 218 D C 1.704 177.745 176.300 -0.431 0.000 0.984 218 D CA 2.835 56.742 54.000 -0.155 0.000 0.834 218 D CB -0.059 40.712 40.800 -0.048 0.000 0.955 218 D HN -0.027 8.282 8.370 0.012 0.068 0.465 219 H N -3.877 114.993 119.070 -0.332 0.000 2.524 219 H HA 0.165 nan 4.556 nan 0.000 0.280 219 H C -1.254 173.910 175.328 -0.274 0.000 1.018 219 H CA 0.183 56.032 56.048 -0.332 0.000 1.165 219 H CB 0.154 29.819 29.762 -0.162 0.000 1.411 219 H HN -0.600 7.716 8.280 0.090 0.018 0.569 220 H N -5.156 113.971 119.070 0.096 0.000 2.826 220 H HA -0.380 nan 4.556 nan 0.000 0.306 220 H C -0.661 174.720 175.328 0.090 0.000 1.235 220 H CA 0.301 56.397 56.048 0.079 0.000 1.150 220 H CB -2.445 27.353 29.762 0.059 0.000 1.409 220 H HN -0.582 7.288 8.280 -0.353 0.198 0.420 221 I N -1.769 118.886 120.570 0.141 0.000 2.529 221 I HA -0.147 nan 4.170 nan 0.000 0.284 221 I C -0.221 175.998 176.117 0.171 0.000 1.082 221 I CA -1.704 59.666 61.300 0.116 0.000 1.406 221 I CB 0.137 38.156 38.000 0.031 0.000 1.405 221 I HN -0.327 7.941 8.210 0.096 0.000 0.548 222 Y N 8.420 128.744 120.300 0.039 0.000 2.600 222 Y HA 0.051 nan 4.550 nan 0.000 0.351 222 Y C -0.362 175.562 175.900 0.040 0.000 1.042 222 Y CA -1.176 56.949 58.100 0.042 0.000 1.333 222 Y CB -0.531 37.948 38.460 0.032 0.000 1.172 222 Y HN 0.002 8.756 8.280 0.252 -0.323 0.517 223 L N 7.600 128.711 121.223 -0.186 0.000 2.079 223 L HA -0.521 nan 4.340 nan 0.000 0.210 223 L C 1.665 178.342 176.870 -0.321 0.000 1.081 223 L CA 3.216 57.957 54.840 -0.166 0.000 0.752 223 L CB -0.760 41.270 42.059 -0.048 0.000 0.896 223 L HN 0.219 8.401 8.230 -0.080 0.000 0.433 224 E N -1.358 118.440 120.200 -0.669 0.000 2.265 224 E HA -0.190 nan 4.350 nan 0.000 0.196 224 E C 1.486 177.850 176.600 -0.393 0.000 0.996 224 E CA 2.750 58.820 56.400 -0.549 0.000 0.832 224 E CB -0.786 28.534 29.700 -0.632 0.000 0.756 224 E HN 0.449 8.221 8.360 -0.952 0.018 0.491 225 G N -3.924 104.617 108.800 -0.431 0.000 3.591 225 G HA2 0.178 nan 3.960 nan 0.000 0.282 225 G HA3 0.178 nan 3.960 nan 0.000 0.282 225 G C -0.846 174.044 174.900 -0.018 0.000 1.238 225 G CA -0.683 44.425 45.100 0.014 0.000 0.993 225 G HN -0.409 7.252 8.290 -0.793 0.153 0.542 226 T N -2.549 111.951 114.554 -0.090 0.000 2.865 226 T HA 0.417 nan 4.350 nan 0.000 0.294 226 T C -1.964 172.681 174.700 -0.092 0.000 1.119 226 T CA -2.122 59.940 62.100 -0.065 0.000 1.007 226 T CB 3.171 72.011 68.868 -0.047 0.000 1.225 226 T HN -0.691 7.381 8.240 -0.146 0.080 0.515 227 L N -1.621 119.555 121.223 -0.077 0.000 2.371 227 L HA 0.931 nan 4.340 nan 0.000 0.262 227 L C -2.208 174.611 176.870 -0.085 0.000 1.006 227 L CA -1.123 53.647 54.840 -0.116 0.000 0.818 227 L CB 4.448 46.417 42.059 -0.149 0.000 1.354 227 L HN -0.169 8.035 8.230 -0.043 0.000 0.415 228 L N 1.474 122.616 121.223 -0.133 0.000 2.329 228 L HA 0.668 nan 4.340 nan 0.000 0.279 228 L C -2.524 174.239 176.870 -0.179 0.000 1.014 228 L CA -1.228 53.538 54.840 -0.124 0.000 0.814 228 L CB 3.315 45.297 42.059 -0.127 0.000 1.257 228 L HN 0.643 8.759 8.230 -0.190 0.000 0.424 229 K N 7.190 127.524 120.400 -0.110 0.000 2.540 229 K HA 0.474 nan 4.320 nan 0.000 0.218 229 K C -2.511 174.059 176.600 -0.050 0.000 1.017 229 K CA -3.267 52.964 56.287 -0.092 0.000 1.029 229 K CB 1.197 33.691 32.500 -0.009 0.000 1.348 229 K HN 0.435 8.547 8.250 -0.064 0.099 0.508 230 P HA 0.273 nan 4.420 nan 0.000 0.293 230 P C -1.766 175.635 177.300 0.167 0.000 1.305 230 P CA -1.792 61.321 63.100 0.020 0.000 0.874 230 P CB 2.760 34.451 31.700 -0.015 0.000 1.288 231 N N -2.047 116.754 118.700 0.169 0.000 2.513 231 N HA 0.068 nan 4.740 nan 0.000 0.274 231 N C -0.085 175.584 175.510 0.264 0.000 1.189 231 N CA -0.384 52.786 53.050 0.201 0.000 0.975 231 N CB 0.520 39.076 38.487 0.115 0.000 1.157 231 N HN 0.125 8.571 8.380 0.110 0.000 0.465 232 M N -1.571 118.147 119.600 0.197 0.000 2.202 232 M HA 0.034 nan 4.480 nan 0.000 0.316 232 M C 0.284 176.619 176.300 0.057 0.000 1.138 232 M CA 0.436 55.768 55.300 0.053 0.000 1.151 232 M CB 1.429 33.954 32.600 -0.124 0.000 1.422 232 M HN 0.174 8.565 8.290 0.168 0.000 0.471 233 V N 2.388 122.319 119.914 0.029 0.000 2.389 233 V HA 0.067 nan 4.120 nan 0.000 0.264 233 V C -0.832 175.253 176.094 -0.015 0.000 1.049 233 V CA -0.134 62.181 62.300 0.024 0.000 0.932 233 V CB -1.564 30.274 31.823 0.025 0.000 1.011 233 V HN 0.255 8.450 8.190 0.008 0.000 0.475 234 T N 3.939 118.491 114.554 -0.004 0.000 2.864 234 T HA 0.524 nan 4.350 nan 0.000 0.299 234 T C -2.839 171.828 174.700 -0.055 0.000 1.166 234 T CA -3.233 58.839 62.100 -0.046 0.000 1.007 234 T CB 1.562 70.440 68.868 0.016 0.000 1.219 234 T HN -0.404 7.858 8.240 0.038 0.000 0.506 235 P HA 0.124 nan 4.420 nan 0.000 0.274 235 P C -0.502 176.692 177.300 -0.177 0.000 1.256 235 P CA -1.040 61.962 63.100 -0.162 0.000 0.795 235 P CB 0.783 32.421 31.700 -0.104 0.000 1.038 236 G N -2.316 106.146 108.800 -0.564 0.000 2.594 236 G HA2 -0.012 nan 3.960 nan 0.000 0.243 236 G HA3 -0.012 nan 3.960 nan 0.000 0.243 236 G C 1.250 176.107 174.900 -0.072 0.000 1.229 236 G CA -0.584 44.180 45.100 -0.559 0.000 0.843 236 G HN 0.217 8.088 8.290 -0.698 0.000 0.578 237 H N 4.286 123.306 119.070 -0.084 0.000 2.422 237 H HA -0.425 nan 4.556 nan 0.000 0.298 237 H C 1.186 176.502 175.328 -0.020 0.000 1.098 237 H CA 2.429 58.466 56.048 -0.019 0.000 1.315 237 H CB 0.351 30.130 29.762 0.029 0.000 1.382 237 H HN 0.869 9.066 8.280 0.029 0.100 0.523 238 A N -2.742 120.129 122.820 0.086 0.000 2.307 238 A HA 0.092 nan 4.320 nan 0.000 0.218 238 A C -1.088 176.499 177.584 0.005 0.000 1.228 238 A CA -0.628 51.432 52.037 0.038 0.000 0.857 238 A CB 0.082 19.099 19.000 0.030 0.000 0.897 238 A HN -0.137 8.017 8.150 0.053 0.028 0.495 239 C N -0.984 118.308 119.300 -0.014 0.000 2.637 239 C HA 0.016 nan 4.460 nan 0.000 0.418 239 C C 1.566 176.571 174.990 0.025 0.000 1.319 239 C CA 1.070 60.087 59.018 -0.001 0.000 1.949 239 C CB 0.226 27.966 27.740 -0.000 0.000 2.639 239 C HN -0.298 7.731 8.230 -0.017 0.190 0.594 240 T N 2.977 117.541 114.554 0.017 0.000 3.065 240 T HA -0.042 nan 4.350 nan 0.000 0.252 240 T C -0.298 174.391 174.700 -0.018 0.000 1.099 240 T CA 0.549 62.650 62.100 0.001 0.000 1.063 240 T CB -0.235 68.629 68.868 -0.007 0.000 0.948 240 T HN 0.217 8.467 8.240 0.017 0.000 0.506 241 Q N 2.052 121.843 119.800 -0.015 0.000 2.304 241 Q HA -0.057 nan 4.340 nan 0.000 0.260 241 Q C -0.675 175.208 176.000 -0.194 0.000 0.965 241 Q CA 0.086 55.809 55.803 -0.134 0.000 0.898 241 Q CB 0.745 29.371 28.738 -0.186 0.000 1.196 241 Q HN -0.615 7.675 8.270 0.034 0.000 0.402 242 K N 4.206 124.449 120.400 -0.262 0.000 2.249 242 K HA 0.060 nan 4.320 nan 0.000 0.280 242 K C -0.962 175.397 176.600 -0.402 0.000 1.033 242 K CA 0.102 56.268 56.287 -0.203 0.000 0.946 242 K CB 0.780 33.196 32.500 -0.141 0.000 1.005 242 K HN 0.263 8.365 8.250 -0.246 0.000 0.469 243 Y N 0.664 120.923 120.300 -0.068 0.000 2.545 243 Y HA 0.396 nan 4.550 nan 0.000 0.348 243 Y C -0.591 175.226 175.900 -0.138 0.000 1.002 243 Y CA -1.609 56.448 58.100 -0.073 0.000 1.039 243 Y CB 2.813 41.245 38.460 -0.046 0.000 1.271 243 Y HN -0.082 8.248 8.280 0.082 0.000 0.467 244 S N 1.122 116.846 115.700 0.040 0.000 2.672 244 S HA 0.366 nan 4.470 nan 0.000 0.276 244 S C 0.615 175.162 174.600 -0.088 0.000 1.207 244 S CA -1.134 57.007 58.200 -0.099 0.000 1.002 244 S CB 2.396 65.581 63.200 -0.025 0.000 0.998 244 S HN 0.704 9.471 8.310 0.119 -0.386 0.542 245 H N 2.915 122.022 119.070 0.060 0.000 2.457 245 H HA -0.170 nan 4.556 nan 0.000 0.294 245 H C 2.309 177.661 175.328 0.040 0.000 1.064 245 H CA 3.196 59.270 56.048 0.044 0.000 1.330 245 H CB -0.281 29.504 29.762 0.037 0.000 1.395 245 H HN 0.862 8.961 8.280 -0.303 0.000 0.541 246 E N -0.613 119.668 120.200 0.135 0.000 2.107 246 E HA -0.221 nan 4.350 nan 0.000 0.191 246 E C 2.397 179.046 176.600 0.080 0.000 0.982 246 E CA 3.218 59.676 56.400 0.096 0.000 0.809 246 E CB -1.069 28.677 29.700 0.076 0.000 0.756 246 E HN 0.644 9.044 8.360 0.111 0.027 0.459 247 E N 0.561 120.811 120.200 0.084 0.000 2.072 247 E HA -0.275 nan 4.350 nan 0.000 0.191 247 E C 2.526 179.156 176.600 0.049 0.000 0.985 247 E CA 2.879 59.333 56.400 0.089 0.000 0.801 247 E CB -0.082 29.719 29.700 0.169 0.000 0.750 247 E HN -0.675 7.641 8.360 0.084 0.095 0.452 248 I N -0.277 120.319 120.570 0.042 0.000 2.179 248 I HA -0.522 nan 4.170 nan 0.000 0.242 248 I C 1.854 177.979 176.117 0.012 0.000 1.088 248 I CA 3.850 65.155 61.300 0.008 0.000 1.357 248 I CB -0.287 37.736 38.000 0.038 0.000 1.051 248 I HN -0.235 8.014 8.210 0.066 0.000 0.409 249 A N -0.382 122.461 122.820 0.038 0.000 1.877 249 A HA -0.334 nan 4.320 nan 0.000 0.216 249 A C 1.853 179.466 177.584 0.049 0.000 1.186 249 A CA 3.176 55.233 52.037 0.033 0.000 0.620 249 A CB -0.788 18.245 19.000 0.055 0.000 0.822 249 A HN 0.108 8.189 8.150 0.065 0.108 0.443 250 M N -0.733 118.901 119.600 0.055 0.000 2.086 250 M HA -0.374 nan 4.480 nan 0.000 0.261 250 M C 2.017 178.353 176.300 0.060 0.000 1.067 250 M CA 1.931 57.267 55.300 0.061 0.000 1.116 250 M CB -0.454 32.182 32.600 0.060 0.000 1.348 250 M HN 0.027 8.351 8.290 0.057 0.000 0.407 251 A N -1.795 121.051 122.820 0.044 0.000 1.877 251 A HA -0.362 nan 4.320 nan 0.000 0.216 251 A C 2.036 179.651 177.584 0.051 0.000 1.186 251 A CA 3.566 55.626 52.037 0.038 0.000 0.620 251 A CB -1.060 17.942 19.000 0.003 0.000 0.822 251 A HN 0.320 8.491 8.150 0.035 0.000 0.443 252 T N 2.231 116.811 114.554 0.045 0.000 2.643 252 T HA -0.324 nan 4.350 nan 0.000 0.264 252 T C 1.989 176.763 174.700 0.123 0.000 1.045 252 T CA 5.046 67.187 62.100 0.069 0.000 1.155 252 T CB -0.320 68.548 68.868 0.001 0.000 0.863 252 T HN -0.185 8.070 8.240 0.026 0.000 0.420 253 V N 0.940 120.935 119.914 0.134 0.000 2.407 253 V HA -0.408 nan 4.120 nan 0.000 0.248 253 V C 1.825 178.028 176.094 0.182 0.000 1.055 253 V CA 4.836 67.255 62.300 0.197 0.000 1.049 253 V CB -1.071 30.863 31.823 0.184 0.000 0.662 253 V HN 0.206 8.457 8.190 0.101 0.000 0.455 254 T N 1.204 115.833 114.554 0.125 0.000 2.746 254 T HA -0.312 nan 4.350 nan 0.000 0.267 254 T C 1.449 176.210 174.700 0.102 0.000 1.039 254 T CA 5.010 67.174 62.100 0.107 0.000 1.142 254 T CB -0.592 68.324 68.868 0.080 0.000 0.866 254 T HN 0.006 8.309 8.240 0.106 0.000 0.444 255 A N 1.317 124.189 122.820 0.087 0.000 1.902 255 A HA -0.225 nan 4.320 nan 0.000 0.217 255 A C 1.870 179.489 177.584 0.058 0.000 1.181 255 A CA 3.172 55.246 52.037 0.063 0.000 0.623 255 A CB -0.914 18.118 19.000 0.053 0.000 0.818 255 A HN -0.246 7.956 8.150 0.086 0.000 0.443 256 L N -2.604 118.659 121.223 0.065 0.000 2.056 256 L HA -0.456 nan 4.340 nan 0.000 0.207 256 L C 2.490 179.459 176.870 0.165 0.000 1.078 256 L CA 3.059 57.881 54.840 -0.029 0.000 0.749 256 L CB -0.630 41.298 42.059 -0.218 0.000 0.901 256 L HN -0.228 8.059 8.230 0.096 0.000 0.433 257 R N -0.983 119.716 120.500 0.332 0.000 2.120 257 R HA -0.315 nan 4.340 nan 0.000 0.234 257 R C 2.204 178.610 176.300 0.178 0.000 1.123 257 R CA 3.197 59.500 56.100 0.338 0.000 0.975 257 R CB -0.274 30.154 30.300 0.213 0.000 0.866 257 R HN -0.036 8.408 8.270 0.290 0.000 0.446 258 R N -4.114 116.455 120.500 0.114 0.000 2.299 258 R HA -0.010 nan 4.340 nan 0.000 0.197 258 R C 0.694 177.018 176.300 0.040 0.000 0.971 258 R CA 1.755 57.893 56.100 0.063 0.000 1.030 258 R CB 0.322 30.649 30.300 0.046 0.000 0.932 258 R HN -0.336 7.984 8.270 0.115 0.019 0.477 259 T N -8.182 106.391 114.554 0.032 0.000 3.098 259 T HA 0.132 nan 4.350 nan 0.000 0.256 259 T C 0.111 174.731 174.700 -0.134 0.000 0.921 259 T CA 0.256 62.351 62.100 -0.008 0.000 0.916 259 T CB 1.697 70.579 68.868 0.023 0.000 1.246 259 T HN -0.521 7.580 8.240 0.056 0.173 0.511 260 V N 5.442 125.255 119.914 -0.169 0.000 2.372 260 V HA 0.397 nan 4.120 nan 0.000 0.261 260 V C -2.009 174.029 176.094 -0.093 0.000 1.055 260 V CA -2.729 59.313 62.300 -0.429 0.000 0.930 260 V CB -1.160 30.300 31.823 -0.604 0.000 1.031 260 V HN 0.049 8.098 8.190 -0.057 0.106 0.479 261 P HA 0.175 nan 4.420 nan 0.000 0.268 261 P C -1.117 176.270 177.300 0.146 0.000 1.208 261 P CA -0.676 62.384 63.100 -0.066 0.000 0.777 261 P CB -0.632 30.974 31.700 -0.155 0.000 0.875 262 P HA -0.173 nan 4.420 nan 0.000 0.219 262 P C -0.427 176.899 177.300 0.043 0.000 1.146 262 P CA 1.953 65.041 63.100 -0.020 0.000 0.808 262 P CB -0.149 31.480 31.700 -0.119 0.000 0.779 263 A N -3.629 119.201 122.820 0.017 0.000 2.024 263 A HA -0.086 nan 4.320 nan 0.000 0.220 263 A C 0.355 177.931 177.584 -0.013 0.000 1.164 263 A CA 0.538 52.568 52.037 -0.012 0.000 0.643 263 A CB -0.238 18.737 19.000 -0.043 0.000 0.806 263 A HN -0.359 7.767 8.150 -0.000 0.024 0.451 264 V N -0.468 119.467 119.914 0.035 0.000 2.493 264 V HA -0.211 nan 4.120 nan 0.000 0.292 264 V C 0.921 177.029 176.094 0.023 0.000 1.016 264 V CA 1.311 63.611 62.300 -0.000 0.000 1.097 264 V CB -0.810 30.978 31.823 -0.058 0.000 0.947 264 V HN -0.758 7.439 8.190 0.069 0.035 0.479 265 T N 6.825 121.312 114.554 -0.112 0.000 2.759 265 T HA -0.119 nan 4.350 nan 0.000 0.269 265 T C -0.383 174.231 174.700 -0.144 0.000 1.042 265 T CA 3.801 65.768 62.100 -0.221 0.000 1.140 265 T CB 0.565 69.150 68.868 -0.471 0.000 0.864 265 T HN 0.280 8.432 8.240 -0.147 0.000 0.455 266 G N -3.884 104.833 108.800 -0.138 0.000 2.601 266 G HA2 0.361 nan 3.960 nan 0.000 0.291 266 G HA3 0.361 nan 3.960 nan 0.000 0.291 266 G C -3.330 171.430 174.900 -0.234 0.000 1.456 266 G CA 0.478 45.495 45.100 -0.137 0.000 0.804 266 G HN -0.809 7.389 8.290 -0.154 0.000 0.499 267 V N -0.037 119.701 119.914 -0.293 0.000 2.409 267 V HA 0.720 nan 4.120 nan 0.000 0.291 267 V C -1.250 174.546 176.094 -0.496 0.000 1.020 267 V CA -1.764 60.243 62.300 -0.488 0.000 0.848 267 V CB 2.121 33.521 31.823 -0.704 0.000 0.990 267 V HN 0.693 8.760 8.190 -0.205 0.000 0.430 268 T N 3.361 117.653 114.554 -0.436 0.000 2.893 268 T HA 0.568 nan 4.350 nan 0.000 0.324 268 T C -0.198 174.368 174.700 -0.225 0.000 1.082 268 T CA -2.918 58.999 62.100 -0.304 0.000 0.983 268 T CB -0.006 68.721 68.868 -0.235 0.000 1.005 268 T HN 0.571 8.580 8.240 -0.385 0.000 0.475 269 F N 6.095 126.054 119.950 0.016 0.000 2.518 269 F HA 0.132 nan 4.527 nan 0.000 0.359 269 F C -0.527 175.433 175.800 0.266 0.000 1.118 269 F CA 0.735 58.811 58.000 0.127 0.000 1.287 269 F CB 0.883 39.993 39.000 0.183 0.000 1.132 269 F HN 0.581 8.880 8.300 -0.000 0.000 0.587 270 L N -2.737 118.750 121.223 0.441 0.000 2.379 270 L HA 0.440 nan 4.340 nan 0.000 0.269 270 L C -0.262 176.812 176.870 0.341 0.000 1.084 270 L CA -0.885 54.180 54.840 0.375 0.000 0.802 270 L CB 0.703 42.889 42.059 0.212 0.000 1.175 270 L HN -0.283 8.184 8.230 0.395 0.000 0.448 271 S N 1.023 116.805 115.700 0.137 0.000 2.436 271 S HA -0.161 nan 4.470 nan 0.000 0.228 271 S C 1.344 175.930 174.600 -0.023 0.000 1.014 271 S CA 1.368 59.474 58.200 -0.157 0.000 0.950 271 S CB -0.076 62.791 63.200 -0.555 0.000 0.784 271 S HN 0.569 8.981 8.310 0.170 0.000 0.504 272 G N 1.813 110.638 108.800 0.041 0.000 2.356 272 G HA2 -0.386 nan 3.960 nan 0.000 0.296 272 G HA3 -0.386 nan 3.960 nan 0.000 0.296 272 G C -0.126 174.845 174.900 0.119 0.000 1.022 272 G CA 0.300 45.444 45.100 0.073 0.000 0.961 272 G HN 0.226 8.550 8.290 0.057 0.000 0.510 273 G N -3.225 105.619 108.800 0.072 0.000 2.176 273 G HA2 -0.525 nan 3.960 nan 0.000 0.253 273 G HA3 -0.525 nan 3.960 nan 0.000 0.253 273 G C -0.143 174.765 174.900 0.014 0.000 0.979 273 G CA -0.288 44.866 45.100 0.090 0.000 0.641 273 G HN 0.175 8.479 8.290 0.024 0.000 0.530 274 Q N 0.322 120.112 119.800 -0.017 0.000 2.394 274 Q HA 0.051 nan 4.340 nan 0.000 0.248 274 Q C -0.598 175.348 176.000 -0.090 0.000 0.992 274 Q CA 0.141 55.910 55.803 -0.057 0.000 0.888 274 Q CB 1.089 29.780 28.738 -0.078 0.000 1.257 274 Q HN -0.657 7.430 8.270 -0.016 0.173 0.462 275 S N 1.782 117.440 115.700 -0.071 0.000 2.593 275 S HA 0.027 nan 4.470 nan 0.000 0.269 275 S C 1.281 175.826 174.600 -0.092 0.000 1.334 275 S CA -1.060 57.102 58.200 -0.064 0.000 1.015 275 S CB 2.324 65.503 63.200 -0.036 0.000 0.912 275 S HN 0.111 8.672 8.310 -0.054 -0.284 0.541 276 E N 4.108 124.262 120.200 -0.078 0.000 2.086 276 E HA -0.508 nan 4.350 nan 0.000 0.200 276 E C 2.048 178.595 176.600 -0.089 0.000 1.012 276 E CA 3.844 60.189 56.400 -0.092 0.000 0.812 276 E CB -0.469 29.204 29.700 -0.044 0.000 0.743 276 E HN 0.659 8.987 8.360 -0.053 0.000 0.453 277 E N -1.688 118.486 120.200 -0.043 0.000 2.072 277 E HA -0.277 nan 4.350 nan 0.000 0.191 277 E C 1.897 178.478 176.600 -0.031 0.000 0.985 277 E CA 2.667 59.061 56.400 -0.010 0.000 0.801 277 E CB -0.520 29.197 29.700 0.029 0.000 0.750 277 E HN -0.088 8.254 8.360 -0.029 0.000 0.452 278 E N 0.006 120.184 120.200 -0.037 0.000 2.058 278 E HA -0.378 nan 4.350 nan 0.000 0.194 278 E C 2.090 178.644 176.600 -0.077 0.000 0.997 278 E CA 3.017 59.397 56.400 -0.035 0.000 0.801 278 E CB -0.105 29.598 29.700 0.004 0.000 0.746 278 E HN -0.619 7.722 8.360 -0.031 0.000 0.450 279 A N -1.749 121.000 122.820 -0.119 0.000 1.940 279 A HA -0.250 nan 4.320 nan 0.000 0.219 279 A C 2.861 180.427 177.584 -0.031 0.000 1.176 279 A CA 3.247 55.191 52.037 -0.155 0.000 0.631 279 A CB -0.826 17.883 19.000 -0.485 0.000 0.814 279 A HN 0.309 8.379 8.150 -0.133 0.000 0.446 280 S N -0.019 115.627 115.700 -0.090 0.000 2.355 280 S HA -0.265 nan 4.470 nan 0.000 0.222 280 S C 2.194 176.738 174.600 -0.094 0.000 1.031 280 S CA 3.779 61.868 58.200 -0.186 0.000 0.993 280 S CB -0.160 62.748 63.200 -0.488 0.000 0.859 280 S HN -0.655 7.503 8.310 -0.120 0.080 0.453 281 I N 2.615 123.159 120.570 -0.044 0.000 2.179 281 I HA -0.566 nan 4.170 nan 0.000 0.242 281 I C 1.625 177.656 176.117 -0.145 0.000 1.088 281 I CA 4.442 65.694 61.300 -0.080 0.000 1.357 281 I CB -0.338 37.465 38.000 -0.329 0.000 1.051 281 I HN 0.307 8.481 8.210 -0.060 0.000 0.409 282 N N -0.239 118.372 118.700 -0.149 0.000 2.120 282 N HA -0.274 nan 4.740 nan 0.000 0.188 282 N C 2.403 177.883 175.510 -0.051 0.000 1.024 282 N CA 3.177 56.191 53.050 -0.060 0.000 0.852 282 N CB -0.422 38.054 38.487 -0.018 0.000 1.003 282 N HN -0.053 8.236 8.380 -0.152 0.000 0.424 283 L N 0.189 121.397 121.223 -0.026 0.000 2.046 283 L HA -0.306 nan 4.340 nan 0.000 0.208 283 L C 1.380 178.270 176.870 0.035 0.000 1.077 283 L CA 3.182 58.023 54.840 0.002 0.000 0.747 283 L CB -0.143 41.972 42.059 0.093 0.000 0.896 283 L HN -0.307 7.919 8.230 -0.008 0.000 0.432 284 N N -0.730 117.997 118.700 0.044 0.000 2.106 284 N HA -0.353 nan 4.740 nan 0.000 0.188 284 N C 2.072 177.622 175.510 0.067 0.000 1.029 284 N CA 3.293 56.393 53.050 0.084 0.000 0.848 284 N CB -0.050 38.531 38.487 0.156 0.000 1.007 284 N HN -0.138 8.184 8.380 0.028 0.075 0.423 285 A N -0.290 122.558 122.820 0.046 0.000 1.902 285 A HA -0.279 nan 4.320 nan 0.000 0.217 285 A C 2.226 179.842 177.584 0.054 0.000 1.181 285 A CA 2.855 54.925 52.037 0.055 0.000 0.623 285 A CB -0.623 18.420 19.000 0.073 0.000 0.818 285 A HN 0.051 8.216 8.150 0.026 0.000 0.443 286 I N -2.564 118.025 120.570 0.032 0.000 2.208 286 I HA -0.550 nan 4.170 nan 0.000 0.245 286 I C 2.562 178.734 176.117 0.092 0.000 1.097 286 I CA 4.097 65.421 61.300 0.040 0.000 1.363 286 I CB -0.273 37.704 38.000 -0.040 0.000 1.051 286 I HN 0.085 8.300 8.210 0.008 0.000 0.413 287 N N -1.216 117.541 118.700 0.095 0.000 2.457 287 N HA -0.154 nan 4.740 nan 0.000 0.180 287 N C 1.604 177.163 175.510 0.081 0.000 1.050 287 N CA 2.679 55.792 53.050 0.105 0.000 0.906 287 N CB -0.018 38.532 38.487 0.106 0.000 0.968 287 N HN -0.402 7.939 8.380 0.082 0.088 0.445 288 K N -1.697 118.746 120.400 0.071 0.000 2.400 288 K HA 0.009 nan 4.320 nan 0.000 0.194 288 K C -0.025 176.609 176.600 0.056 0.000 1.033 288 K CA -0.470 55.852 56.287 0.058 0.000 1.021 288 K CB -0.294 32.239 32.500 0.055 0.000 0.808 288 K HN -0.569 7.546 8.250 0.071 0.177 0.505 289 C N 4.656 123.995 119.300 0.065 0.000 2.592 289 C HA 0.101 nan 4.460 nan 0.000 0.408 289 C C -0.039 174.983 174.990 0.053 0.000 1.436 289 C CA -1.455 57.601 59.018 0.063 0.000 1.595 289 C CB -0.423 27.364 27.740 0.078 0.000 2.487 289 C HN -0.316 7.798 8.230 0.073 0.160 0.610 290 P HA -0.176 nan 4.420 nan 0.000 0.225 290 P C -0.624 176.691 177.300 0.025 0.000 1.148 290 P CA 0.962 64.081 63.100 0.030 0.000 0.779 290 P CB -0.170 31.546 31.700 0.027 0.000 0.780 291 L N -0.559 120.685 121.223 0.035 0.000 2.467 291 L HA -0.048 nan 4.340 nan 0.000 0.270 291 L C -0.075 176.798 176.870 0.006 0.000 1.205 291 L CA -0.710 54.145 54.840 0.027 0.000 0.828 291 L CB 0.456 42.545 42.059 0.050 0.000 1.101 291 L HN -0.786 7.409 8.230 0.047 0.063 0.479 292 L N 1.057 122.262 121.223 -0.030 0.000 2.410 292 L HA -0.050 nan 4.340 nan 0.000 0.273 292 L C -0.803 175.970 176.870 -0.162 0.000 1.144 292 L CA 0.518 55.306 54.840 -0.086 0.000 0.863 292 L CB 0.384 42.380 42.059 -0.105 0.000 1.140 292 L HN 0.134 8.349 8.230 -0.025 0.000 0.463 293 K N 7.399 127.682 120.400 -0.196 0.000 2.507 293 K HA 0.346 nan 4.320 nan 0.000 0.253 293 K C -1.873 174.413 176.600 -0.523 0.000 0.969 293 K CA -2.095 53.976 56.287 -0.359 0.000 0.908 293 K CB 0.023 32.539 32.500 0.027 0.000 1.127 293 K HN 0.332 8.503 8.250 -0.132 0.000 0.437 294 P HA 0.007 nan 4.420 nan 0.000 0.245 294 P C -1.912 175.046 177.300 -0.571 0.000 1.212 294 P CA 0.433 63.084 63.100 -0.748 0.000 0.774 294 P CB 0.434 31.658 31.700 -0.792 0.000 0.999 295 W N -3.420 117.856 121.300 -0.041 0.000 2.882 295 W HA 0.134 nan 4.660 nan 0.000 0.345 295 W C -1.301 175.188 176.519 -0.051 0.000 1.125 295 W CA -2.339 54.967 57.345 -0.064 0.000 1.167 295 W CB 1.322 30.725 29.460 -0.095 0.000 1.431 295 W HN -0.902 6.929 8.180 -0.463 0.071 0.543 296 A N -0.361 122.577 122.820 0.197 0.000 2.477 296 A HA 0.142 nan 4.320 nan 0.000 0.246 296 A C -1.721 175.926 177.584 0.105 0.000 1.078 296 A CA 0.416 52.512 52.037 0.099 0.000 0.770 296 A CB 0.852 19.852 19.000 -0.002 0.000 1.011 296 A HN 0.287 8.530 8.150 0.155 0.000 0.494 297 L N 4.259 125.566 121.223 0.140 0.000 2.337 297 L HA 0.529 nan 4.340 nan 0.000 0.269 297 L C -1.143 175.840 176.870 0.187 0.000 1.018 297 L CA -0.968 53.992 54.840 0.199 0.000 0.876 297 L CB -0.153 42.123 42.059 0.362 0.000 1.236 297 L HN 0.409 8.723 8.230 0.140 0.000 0.436 298 T N 2.733 117.336 114.554 0.082 0.000 2.604 298 T HA 0.507 nan 4.350 nan 0.000 0.267 298 T C -2.302 172.430 174.700 0.053 0.000 0.923 298 T CA -2.315 59.812 62.100 0.046 0.000 1.077 298 T CB 3.331 72.090 68.868 -0.182 0.000 1.392 298 T HN 0.503 8.720 8.240 -0.038 0.000 0.531 299 F N -4.455 115.352 119.950 -0.238 0.000 2.556 299 F HA 1.007 nan 4.527 nan 0.000 0.327 299 F C -1.619 173.974 175.800 -0.345 0.000 1.059 299 F CA -3.414 54.273 58.000 -0.522 0.000 0.953 299 F CB 2.930 41.158 39.000 -1.287 0.000 1.227 299 F HN -0.058 7.852 8.300 -0.650 0.000 0.478 300 S N 0.229 115.876 115.700 -0.088 0.000 2.440 300 S HA 0.204 nan 4.470 nan 0.000 0.142 300 S C -1.794 173.006 174.600 0.334 0.000 1.578 300 S CA -0.573 57.659 58.200 0.054 0.000 1.260 300 S CB 0.206 63.425 63.200 0.032 0.000 1.407 300 S HN 0.324 8.623 8.310 -0.017 0.000 0.392 301 Y N 2.891 123.373 120.300 0.303 0.000 2.308 301 Y HA 0.170 nan 4.550 nan 0.000 0.329 301 Y C -0.525 175.462 175.900 0.146 0.000 1.111 301 Y CA -1.827 56.400 58.100 0.211 0.000 1.179 301 Y CB 1.047 39.617 38.460 0.183 0.000 1.201 301 Y HN -0.262 8.298 8.280 0.467 0.000 0.483 302 G N 2.268 111.219 108.800 0.251 0.000 2.651 302 G HA2 0.032 nan 3.960 nan 0.000 0.226 302 G HA3 0.032 nan 3.960 nan 0.000 0.226 302 G C 1.256 176.219 174.900 0.104 0.000 1.542 302 G CA 0.667 45.853 45.100 0.143 0.000 0.868 302 G HN 0.338 8.768 8.290 0.232 0.000 0.588 303 R N 2.957 123.492 120.500 0.058 0.000 2.096 303 R HA -0.265 nan 4.340 nan 0.000 0.235 303 R C 1.642 177.946 176.300 0.007 0.000 1.127 303 R CA 2.265 58.384 56.100 0.031 0.000 0.968 303 R CB -0.261 30.042 30.300 0.004 0.000 0.861 303 R HN 0.379 8.680 8.270 0.052 0.000 0.440 304 A N -2.865 119.920 122.820 -0.059 0.000 2.172 304 A HA -0.119 nan 4.320 nan 0.000 0.216 304 A C 0.896 178.488 177.584 0.013 0.000 1.154 304 A CA 2.297 54.256 52.037 -0.130 0.000 0.701 304 A CB -0.470 18.223 19.000 -0.513 0.000 0.789 304 A HN -0.371 7.713 8.150 -0.079 0.019 0.465 305 L N -7.547 113.748 121.223 0.120 0.000 2.731 305 L HA 0.081 nan 4.340 nan 0.000 0.240 305 L C 0.424 177.415 176.870 0.202 0.000 1.120 305 L CA 0.056 55.014 54.840 0.196 0.000 0.913 305 L CB 0.514 42.754 42.059 0.302 0.000 1.213 305 L HN -0.740 7.516 8.230 0.127 0.050 0.515 306 Q N -3.383 116.495 119.800 0.130 0.000 2.280 306 Q HA 0.088 nan 4.340 nan 0.000 0.244 306 Q C 1.359 177.440 176.000 0.135 0.000 0.847 306 Q CA 0.489 56.371 55.803 0.132 0.000 0.945 306 Q CB 1.932 30.757 28.738 0.145 0.000 1.115 306 Q HN -0.663 7.549 8.270 0.105 0.121 0.513 307 A N 1.871 124.745 122.820 0.090 0.000 1.869 307 A HA -0.383 nan 4.320 nan 0.000 0.218 307 A C 1.836 179.466 177.584 0.078 0.000 1.203 307 A CA 3.753 55.830 52.037 0.066 0.000 0.638 307 A CB -0.733 18.286 19.000 0.031 0.000 0.831 307 A HN 0.118 8.339 8.150 0.074 -0.027 0.450 308 S N -1.233 114.517 115.700 0.082 0.000 2.387 308 S HA -0.279 nan 4.470 nan 0.000 0.226 308 S C 1.945 176.619 174.600 0.124 0.000 1.026 308 S CA 3.475 61.727 58.200 0.087 0.000 0.972 308 S CB -0.229 63.014 63.200 0.073 0.000 0.814 308 S HN -0.363 8.435 8.310 0.076 -0.442 0.477 309 A N 2.119 125.031 122.820 0.154 0.000 1.908 309 A HA -0.237 nan 4.320 nan 0.000 0.218 309 A C 2.116 179.848 177.584 0.248 0.000 1.181 309 A CA 2.784 54.935 52.037 0.190 0.000 0.627 309 A CB -0.881 18.226 19.000 0.179 0.000 0.818 309 A HN -0.044 8.197 8.150 0.151 0.000 0.445 310 L N -1.503 119.855 121.223 0.226 0.000 1.994 310 L HA -0.370 nan 4.340 nan 0.000 0.208 310 L C 1.569 178.557 176.870 0.197 0.000 1.071 310 L CA 3.411 58.378 54.840 0.212 0.000 0.745 310 L CB -0.133 41.975 42.059 0.081 0.000 0.892 310 L HN 0.042 8.381 8.230 0.192 0.006 0.431 311 K N -1.533 118.935 120.400 0.114 0.000 2.097 311 K HA -0.273 nan 4.320 nan 0.000 0.205 311 K C 2.012 178.663 176.600 0.085 0.000 1.050 311 K CA 2.750 59.075 56.287 0.063 0.000 0.938 311 K CB -0.482 32.039 32.500 0.035 0.000 0.718 311 K HN -0.571 7.741 8.250 0.103 0.000 0.442 312 A N -1.243 121.656 122.820 0.132 0.000 1.930 312 A HA -0.179 nan 4.320 nan 0.000 0.217 312 A C 1.449 179.155 177.584 0.203 0.000 1.175 312 A CA 1.797 53.917 52.037 0.138 0.000 0.627 312 A CB -0.490 18.593 19.000 0.140 0.000 0.815 312 A HN -0.144 8.092 8.150 0.142 0.000 0.443 313 W N -0.154 121.176 121.300 0.051 0.000 2.378 313 W HA -0.298 nan 4.660 nan 0.000 0.313 313 W C 1.221 177.766 176.519 0.044 0.000 1.197 313 W CA 0.965 58.353 57.345 0.072 0.000 1.304 313 W CB 0.998 30.515 29.460 0.094 0.000 1.148 313 W HN -0.489 7.914 8.180 0.387 0.009 0.494 314 G N -2.881 105.822 108.800 -0.162 0.000 2.258 314 G HA2 -0.498 nan 3.960 nan 0.000 0.274 314 G HA3 -0.498 nan 3.960 nan 0.000 0.274 314 G C -0.002 174.490 174.900 -0.680 0.000 1.021 314 G CA 0.962 45.849 45.100 -0.356 0.000 0.798 314 G HN -0.212 8.103 8.290 0.042 0.000 0.507 315 G N -2.937 104.954 108.800 -1.515 0.000 2.184 315 G HA2 -0.446 nan 3.960 nan 0.000 0.264 315 G HA3 -0.446 nan 3.960 nan 0.000 0.264 315 G C -0.291 174.189 174.900 -0.700 0.000 0.975 315 G CA 0.274 44.540 45.100 -1.391 0.000 0.642 315 G HN 0.394 7.285 8.290 -2.270 0.037 0.536 316 K N 1.892 122.003 120.400 -0.481 0.000 2.263 316 K HA 0.185 nan 4.320 nan 0.000 0.272 316 K C 0.269 176.972 176.600 0.171 0.000 1.033 316 K CA -1.681 54.540 56.287 -0.110 0.000 0.884 316 K CB 0.353 32.810 32.500 -0.070 0.000 1.107 316 K HN -0.521 7.304 8.250 -0.584 0.074 0.460 317 K N 5.945 126.461 120.400 0.194 0.000 2.160 317 K HA -0.399 nan 4.320 nan 0.000 0.206 317 K C 2.129 178.914 176.600 0.309 0.000 1.047 317 K CA 3.468 59.965 56.287 0.350 0.000 0.930 317 K CB -0.639 31.938 32.500 0.129 0.000 0.720 317 K HN 0.786 9.063 8.250 0.044 0.000 0.450 318 E N -1.418 118.891 120.200 0.181 0.000 2.118 318 E HA -0.285 nan 4.350 nan 0.000 0.195 318 E C 1.671 178.371 176.600 0.166 0.000 0.992 318 E CA 2.790 59.275 56.400 0.141 0.000 0.804 318 E CB -0.680 29.071 29.700 0.084 0.000 0.741 318 E HN 0.442 8.850 8.360 0.126 0.028 0.458 319 N N -1.192 117.629 118.700 0.203 0.000 2.501 319 N HA -0.079 nan 4.740 nan 0.000 0.195 319 N C 0.897 176.574 175.510 0.278 0.000 1.213 319 N CA 0.296 53.475 53.050 0.215 0.000 0.864 319 N CB -0.664 37.945 38.487 0.203 0.000 0.999 319 N HN -0.363 8.028 8.380 0.201 0.110 0.454 320 L N 1.858 123.258 121.223 0.295 0.000 1.971 320 L HA -0.408 nan 4.340 nan 0.000 0.215 320 L C 0.816 177.756 176.870 0.117 0.000 1.072 320 L CA 4.356 59.324 54.840 0.215 0.000 0.758 320 L CB -0.109 42.063 42.059 0.189 0.000 0.889 320 L HN -0.187 8.013 8.230 0.299 0.210 0.433 321 K N -2.465 117.997 120.400 0.104 0.000 2.063 321 K HA -0.398 nan 4.320 nan 0.000 0.208 321 K C 2.145 178.793 176.600 0.081 0.000 1.048 321 K CA 2.535 58.867 56.287 0.074 0.000 0.928 321 K CB -1.460 31.078 32.500 0.065 0.000 0.713 321 K HN 0.054 8.374 8.250 0.118 0.000 0.442 322 A N -1.644 121.235 122.820 0.098 0.000 1.908 322 A HA -0.213 nan 4.320 nan 0.000 0.218 322 A C 2.109 179.760 177.584 0.111 0.000 1.181 322 A CA 2.777 54.872 52.037 0.096 0.000 0.627 322 A CB -1.023 18.038 19.000 0.101 0.000 0.818 322 A HN -0.064 8.152 8.150 0.109 0.000 0.445 323 A N -2.175 120.731 122.820 0.143 0.000 1.877 323 A HA -0.369 nan 4.320 nan 0.000 0.216 323 A C 2.366 180.022 177.584 0.121 0.000 1.186 323 A CA 2.987 55.117 52.037 0.156 0.000 0.620 323 A CB -0.864 18.257 19.000 0.201 0.000 0.822 323 A HN -0.088 8.158 8.150 0.163 0.002 0.443 324 Q N -1.811 118.040 119.800 0.084 0.000 2.170 324 Q HA -0.402 nan 4.340 nan 0.000 0.203 324 Q C 2.567 178.636 176.000 0.115 0.000 0.976 324 Q CA 3.097 58.959 55.803 0.099 0.000 0.858 324 Q CB -0.052 28.715 28.738 0.047 0.000 0.907 324 Q HN 0.039 8.351 8.270 0.070 0.000 0.433 325 E N 0.142 120.389 120.200 0.079 0.000 2.072 325 E HA -0.311 nan 4.350 nan 0.000 0.191 325 E C 2.361 178.991 176.600 0.050 0.000 0.985 325 E CA 2.941 59.371 56.400 0.050 0.000 0.801 325 E CB -0.477 29.250 29.700 0.045 0.000 0.750 325 E HN -0.025 8.277 8.360 0.078 0.105 0.452 326 E N -0.781 119.469 120.200 0.083 0.000 2.085 326 E HA -0.357 nan 4.350 nan 0.000 0.194 326 E C 2.326 178.987 176.600 0.100 0.000 0.994 326 E CA 2.871 59.322 56.400 0.085 0.000 0.801 326 E CB -0.434 29.329 29.700 0.106 0.000 0.743 326 E HN -0.516 7.901 8.360 0.095 0.000 0.453 327 Y N 0.688 120.994 120.300 0.009 0.000 2.145 327 Y HA -0.390 nan 4.550 nan 0.000 0.286 327 Y C 1.945 177.836 175.900 -0.015 0.000 1.145 327 Y CA 3.122 61.218 58.100 -0.006 0.000 1.148 327 Y CB -0.236 38.208 38.460 -0.026 0.000 0.981 327 Y HN -0.484 7.937 8.280 0.235 0.000 0.507 328 V N -0.717 119.016 119.914 -0.301 0.000 2.392 328 V HA -0.595 nan 4.120 nan 0.000 0.249 328 V C 2.097 178.050 176.094 -0.234 0.000 1.059 328 V CA 4.562 66.645 62.300 -0.362 0.000 1.051 328 V CB -1.233 30.494 31.823 -0.161 0.000 0.658 328 V HN 0.004 8.158 8.190 -0.060 0.000 0.455 329 K N -0.829 119.498 120.400 -0.122 0.000 2.026 329 K HA -0.370 nan 4.320 nan 0.000 0.208 329 K C 2.521 179.060 176.600 -0.101 0.000 1.048 329 K CA 3.703 59.946 56.287 -0.073 0.000 0.929 329 K CB -0.415 32.074 32.500 -0.019 0.000 0.713 329 K HN -0.015 8.177 8.250 -0.080 0.009 0.439 330 R N -1.806 118.630 120.500 -0.106 0.000 2.092 330 R HA -0.216 nan 4.340 nan 0.000 0.231 330 R C 2.414 178.579 176.300 -0.225 0.000 1.119 330 R CA 1.521 57.544 56.100 -0.127 0.000 0.970 330 R CB -1.087 29.189 30.300 -0.040 0.000 0.864 330 R HN -0.334 7.891 8.270 -0.076 0.000 0.440 331 A N -0.032 122.620 122.820 -0.281 0.000 1.933 331 A HA -0.177 nan 4.320 nan 0.000 0.218 331 A C 2.462 179.920 177.584 -0.211 0.000 1.175 331 A CA 2.995 54.858 52.037 -0.289 0.000 0.628 331 A CB -0.876 17.852 19.000 -0.454 0.000 0.814 331 A HN 0.259 8.208 8.150 -0.334 0.000 0.444 332 L N -2.109 119.007 121.223 -0.179 0.000 2.056 332 L HA -0.398 nan 4.340 nan 0.000 0.207 332 L C 2.154 178.958 176.870 -0.110 0.000 1.078 332 L CA 2.823 57.601 54.840 -0.103 0.000 0.749 332 L CB -0.338 41.680 42.059 -0.068 0.000 0.901 332 L HN 0.081 8.191 8.230 -0.199 0.000 0.433 333 A N -1.129 121.589 122.820 -0.171 0.000 1.908 333 A HA -0.401 nan 4.320 nan 0.000 0.218 333 A C 2.195 179.471 177.584 -0.514 0.000 1.181 333 A CA 3.328 55.175 52.037 -0.317 0.000 0.627 333 A CB -0.837 17.925 19.000 -0.395 0.000 0.818 333 A HN 0.178 8.231 8.150 -0.161 0.000 0.445 334 N N -2.455 115.949 118.700 -0.493 0.000 2.354 334 N HA -0.201 nan 4.740 nan 0.000 0.179 334 N C 2.189 177.557 175.510 -0.236 0.000 1.021 334 N CA 2.758 55.439 53.050 -0.616 0.000 0.887 334 N CB -0.331 37.349 38.487 -1.346 0.000 0.974 334 N HN -0.137 7.973 8.380 -0.449 0.000 0.437 335 S N 1.643 117.302 115.700 -0.069 0.000 2.368 335 S HA -0.224 nan 4.470 nan 0.000 0.225 335 S C 1.588 176.231 174.600 0.071 0.000 1.030 335 S CA 3.033 61.301 58.200 0.114 0.000 0.999 335 S CB 0.044 63.284 63.200 0.067 0.000 0.844 335 S HN -0.445 7.689 8.310 -0.148 0.086 0.459 336 L N -0.893 120.346 121.223 0.027 0.000 2.072 336 L HA -0.146 nan 4.340 nan 0.000 0.205 336 L C 1.528 178.452 176.870 0.090 0.000 1.079 336 L CA 2.490 57.377 54.840 0.078 0.000 0.752 336 L CB 0.230 42.379 42.059 0.149 0.000 0.906 336 L HN -0.578 7.641 8.230 -0.019 0.000 0.436 337 A N -0.157 122.671 122.820 0.014 0.000 1.908 337 A HA -0.271 nan 4.320 nan 0.000 0.218 337 A C 2.172 179.804 177.584 0.080 0.000 1.181 337 A CA 3.069 55.121 52.037 0.025 0.000 0.627 337 A CB -0.906 18.002 19.000 -0.154 0.000 0.818 337 A HN 0.042 8.061 8.150 -0.109 0.065 0.445 338 C N -5.463 113.905 119.300 0.114 0.000 2.511 338 C HA -0.042 nan 4.460 nan 0.000 0.277 338 C C 0.718 175.773 174.990 0.109 0.000 1.451 338 C CA -0.068 59.041 59.018 0.150 0.000 1.735 338 C CB -2.021 25.844 27.740 0.208 0.000 1.704 338 C HN -0.078 8.218 8.230 0.110 0.000 0.571 339 Q N -0.414 119.442 119.800 0.094 0.000 2.164 339 Q HA 0.055 nan 4.340 nan 0.000 0.226 339 Q C 0.679 176.724 176.000 0.075 0.000 0.813 339 Q CA -1.078 54.770 55.803 0.076 0.000 0.978 339 Q CB 1.529 30.306 28.738 0.065 0.000 1.149 339 Q HN -0.345 7.762 8.270 0.096 0.221 0.489 340 G N 0.143 108.996 108.800 0.088 0.000 2.198 340 G HA2 -0.452 nan 3.960 nan 0.000 0.260 340 G HA3 -0.452 nan 3.960 nan 0.000 0.260 340 G C -0.613 174.335 174.900 0.081 0.000 1.025 340 G CA 0.945 46.096 45.100 0.085 0.000 0.769 340 G HN 0.005 8.222 8.290 0.097 0.131 0.507 341 K N -2.167 118.292 120.400 0.097 0.000 2.455 341 K HA 0.167 nan 4.320 nan 0.000 0.206 341 K C -0.761 175.912 176.600 0.122 0.000 1.027 341 K CA -1.486 54.852 56.287 0.085 0.000 1.113 341 K CB 0.602 33.144 32.500 0.069 0.000 0.850 341 K HN -0.071 8.124 8.250 0.109 0.121 0.503 342 Y N 1.462 121.762 120.300 -0.001 0.000 2.320 342 Y HA -0.018 nan 4.550 nan 0.000 0.324 342 Y C -1.444 174.446 175.900 -0.016 0.000 1.190 342 Y CA 0.373 58.465 58.100 -0.014 0.000 1.215 342 Y CB 1.740 40.186 38.460 -0.023 0.000 1.221 342 Y HN -0.202 8.480 8.280 0.214 -0.273 0.486 343 T N 3.007 117.082 114.554 -0.798 0.000 2.912 343 T HA 0.360 nan 4.350 nan 0.000 0.299 343 T C -2.021 172.165 174.700 -0.857 0.000 1.052 343 T CA -1.896 59.841 62.100 -0.606 0.000 0.996 343 T CB 1.459 70.153 68.868 -0.289 0.000 1.070 343 T HN -0.009 7.611 8.240 -1.033 0.000 0.465 344 S N 2.261 117.675 115.700 -0.476 0.000 2.690 344 S HA 0.357 nan 4.470 nan 0.000 0.291 344 S C 0.174 174.678 174.600 -0.160 0.000 1.138 344 S CA -1.062 56.959 58.200 -0.300 0.000 1.013 344 S CB 1.980 65.093 63.200 -0.145 0.000 1.053 344 S HN 0.136 8.254 8.310 -0.320 0.000 0.539 345 S N 2.051 117.697 115.700 -0.091 0.000 2.501 345 S HA 0.059 nan 4.470 nan 0.000 0.220 345 S C 0.791 175.372 174.600 -0.032 0.000 0.997 345 S CA 1.211 59.379 58.200 -0.054 0.000 0.919 345 S CB 0.130 63.312 63.200 -0.029 0.000 0.778 345 S HN 0.464 8.734 8.310 -0.067 0.000 0.523 346 G N -0.443 108.342 108.800 -0.024 0.000 2.617 346 G HA2 -0.232 nan 3.960 nan 0.000 0.197 346 G HA3 -0.232 nan 3.960 nan 0.000 0.197 346 G C -0.821 174.086 174.900 0.012 0.000 1.017 346 G CA -0.137 44.959 45.100 -0.006 0.000 0.713 346 G HN 0.101 8.335 8.290 -0.029 0.039 0.481 347 Q N 0.122 119.931 119.800 0.014 0.000 3.065 347 Q HA 0.271 nan 4.340 nan 0.000 0.208 347 Q C 0.545 176.563 176.000 0.031 0.000 1.163 347 Q CA -0.634 55.182 55.803 0.023 0.000 0.338 347 Q CB 0.359 29.105 28.738 0.015 0.000 5.725 347 Q HN -0.349 7.926 8.270 0.008 0.000 0.301 348 A N -0.143 122.692 122.820 0.024 0.000 1.909 348 A HA 0.195 nan 4.320 nan 0.000 0.209 348 A C 0.286 177.885 177.584 0.024 0.000 1.247 348 A CA -0.223 51.829 52.037 0.025 0.000 0.660 348 A CB 0.700 19.710 19.000 0.018 0.000 0.910 348 A HN 0.120 8.281 8.150 0.019 0.000 0.465 349 G N -0.580 108.232 108.800 0.020 0.000 2.584 349 G HA2 -0.256 nan 3.960 nan 0.000 0.229 349 G HA3 -0.256 nan 3.960 nan 0.000 0.229 349 G C 0.279 175.190 174.900 0.019 0.000 1.320 349 G CA -0.325 44.789 45.100 0.022 0.000 0.891 349 G HN -0.451 8.115 8.290 0.017 -0.266 0.573 350 A N 2.180 125.013 122.820 0.022 0.000 2.840 350 A HA 0.144 nan 4.320 nan 0.000 0.269 350 A C -2.036 175.558 177.584 0.017 0.000 1.439 350 A CA -0.723 51.327 52.037 0.021 0.000 1.083 350 A CB -1.096 17.920 19.000 0.026 0.000 1.019 350 A HN 0.356 8.523 8.150 0.027 0.000 0.607 351 A N -2.842 119.985 122.820 0.011 0.000 2.497 351 A HA 0.250 nan 4.320 nan 0.000 0.280 351 A C -1.944 175.638 177.584 -0.003 0.000 1.065 351 A CA 0.556 52.593 52.037 0.001 0.000 0.781 351 A CB 1.185 20.182 19.000 -0.006 0.000 1.289 351 A HN -0.638 7.423 8.150 0.012 0.097 0.415 352 A N 1.941 124.756 122.820 -0.008 0.000 3.091 352 A HA -0.141 nan 4.320 nan 0.000 0.187 352 A C 0.494 178.069 177.584 -0.014 0.000 1.645 352 A CA 1.344 53.373 52.037 -0.013 0.000 1.370 352 A CB -0.167 18.829 19.000 -0.006 0.000 1.098 352 A HN 0.118 8.264 8.150 -0.007 0.000 0.374 353 S N -0.109 115.586 115.700 -0.008 0.000 2.736 353 S HA -0.490 nan 4.470 nan 0.000 0.347 353 S C 1.545 176.137 174.600 -0.013 0.000 1.380 353 S CA 2.988 61.184 58.200 -0.008 0.000 1.092 353 S CB -0.782 62.416 63.200 -0.003 0.000 1.167 353 S HN 0.486 8.793 8.310 -0.004 0.000 0.444 354 E N -0.015 120.174 120.200 -0.019 0.000 2.042 354 E HA -0.013 nan 4.350 nan 0.000 0.189 354 E C 0.019 176.605 176.600 -0.023 0.000 0.974 354 E CA 0.103 56.488 56.400 -0.025 0.000 0.806 354 E CB 0.568 30.247 29.700 -0.035 0.000 0.769 354 E HN -0.138 8.168 8.360 -0.020 0.041 0.451 355 S N -2.368 113.315 115.700 -0.029 0.000 3.662 355 S HA -0.346 nan 4.470 nan 0.000 0.787 355 S C -0.759 173.839 174.600 -0.002 0.000 1.315 355 S CA 0.482 58.668 58.200 -0.024 0.000 1.186 355 S CB 0.392 63.589 63.200 -0.006 0.000 0.500 355 S HN -0.407 7.882 8.310 -0.035 0.000 0.528 356 L N 1.317 122.545 121.223 0.008 0.000 2.452 356 L HA 0.170 nan 4.340 nan 0.000 0.267 356 L C -0.825 176.188 176.870 0.240 0.000 1.188 356 L CA 0.818 55.716 54.840 0.097 0.000 0.821 356 L CB 0.463 42.534 42.059 0.021 0.000 1.102 356 L HN -0.210 8.006 8.230 -0.023 0.000 0.470 357 F N 5.247 125.220 119.950 0.039 0.000 2.824 357 F HA 0.347 nan 4.527 nan 0.000 0.330 357 F C -2.237 173.593 175.800 0.050 0.000 1.175 357 F CA -2.664 55.364 58.000 0.046 0.000 0.974 357 F CB 2.055 41.094 39.000 0.065 0.000 1.430 357 F HN -0.094 8.586 8.300 0.634 0.000 0.507 358 I N -1.355 118.858 120.570 -0.595 0.000 2.605 358 I HA 0.201 nan 4.170 nan 0.000 0.268 358 I C -0.344 175.403 176.117 -0.615 0.000 1.265 358 I CA 0.506 61.402 61.300 -0.672 0.000 1.049 358 I CB -0.027 37.823 38.000 -0.249 0.000 1.329 358 I HN 0.055 8.061 8.210 -0.341 0.000 0.494 359 S N 1.773 116.927 115.700 -0.910 0.000 3.635 359 S HA -0.353 nan 4.470 nan 0.000 0.328 359 S C -0.135 174.411 174.600 -0.090 0.000 1.135 359 S CA 0.517 58.504 58.200 -0.355 0.000 0.942 359 S CB -0.341 62.744 63.200 -0.191 0.000 0.930 359 S HN 0.179 7.522 8.310 -1.611 0.000 0.512 360 N N 0.563 119.281 118.700 0.030 0.000 2.043 360 N HA -0.117 nan 4.740 nan 0.000 0.193 360 N C -0.580 175.130 175.510 0.334 0.000 1.037 360 N CA 1.862 55.057 53.050 0.241 0.000 0.851 360 N CB 0.702 39.448 38.487 0.432 0.000 1.027 360 N HN -0.017 8.229 8.380 -0.176 0.028 0.422 361 H N -6.939 112.279 119.070 0.246 0.000 3.139 361 H HA 0.042 nan 4.556 nan 0.000 0.325 361 H C -2.077 173.403 175.328 0.253 0.000 1.146 361 H CA -0.660 55.501 56.048 0.188 0.000 1.351 361 H CB 0.986 30.831 29.762 0.138 0.000 2.005 361 H HN -0.520 8.143 8.280 0.639 0.000 0.517 362 A N 6.158 128.975 122.820 -0.005 0.000 2.981 362 A HA 0.047 nan 4.320 nan 0.000 0.280 362 A C -1.159 176.311 177.584 -0.190 0.000 1.743 362 A CA 0.562 52.559 52.037 -0.066 0.000 1.430 362 A CB -1.667 17.326 19.000 -0.013 0.000 1.085 362 A HN 0.567 8.765 8.150 0.080 0.000 0.597 363 Y N 0.000 119.969 120.300 -0.551 0.000 2.660 363 Y HA 0.000 nan 4.550 nan 0.000 0.201 363 Y CA 0.000 57.837 58.100 -0.439 0.000 1.940 363 Y CB 0.000 38.276 38.460 -0.307 0.000 1.050 363 Y HN 0.000 7.980 8.280 -0.453 0.028 0.758