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 1j8f_1_C DATA FIRST_RESID 54 DATA SEQUENCE QKERLLDELT LEGVARYMQS ERCRRVICLV GAGISTSAGI PDFRSPSTGL DATA SEQUENCE YDNLEKYHLP YPEAIFEISY FKKHPEPFFA LAKELYPGQF KPTICHYFMR DATA SEQUENCE LLKDKGLLLR CYTQNIDTLE RIAGLEQEDL VEAHGTFYTS HCVSASCRHE DATA SEQUENCE YPLSWMKEKI FSEVTPKCED CQSLVKPDIV FFGESLPARF FSCMQSDFLK DATA SEQUENCE VDLLLVMGTS LQVQPFASLI SKAPLSTPRL LINKEKAGQS DPFLGMIMGL DATA SEQUENCE GGGMDFDSKK AYRDVAWLGE CDQGCLALAE LLGWKKELED LVRREHASID DATA SEQUENCE AQS 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 54 Q HA 0.000 nan 4.340 nan 0.000 0.214 54 Q C 0.000 175.966 176.000 -0.056 0.000 1.003 54 Q CA 0.000 55.777 55.803 -0.044 0.000 1.022 54 Q CB 0.000 28.706 28.738 -0.054 0.000 1.108 55 K N 1.346 121.661 120.400 -0.140 0.000 3.101 55 K HA 0.147 nan 4.320 nan 0.000 0.229 55 K C -0.843 175.555 176.600 -0.336 0.000 1.232 55 K CA -1.067 55.053 56.287 -0.279 0.000 1.210 55 K CB -1.314 30.868 32.500 -0.529 0.000 1.284 55 K HN 0.033 8.193 8.250 -0.151 0.000 0.448 56 E N 0.925 121.061 120.200 -0.107 0.000 2.415 56 E HA -0.118 nan 4.350 nan 0.000 0.262 56 E C -1.703 174.931 176.600 0.056 0.000 1.038 56 E CA -0.338 56.032 56.400 -0.050 0.000 0.921 56 E CB 0.794 30.490 29.700 -0.007 0.000 0.950 56 E HN -0.044 8.213 8.360 -0.052 0.071 0.438 57 R N 2.270 122.808 120.500 0.063 0.000 2.202 57 R HA 0.163 nan 4.340 nan 0.000 0.334 57 R C -0.130 176.203 176.300 0.056 0.000 1.036 57 R CA -0.035 56.145 56.100 0.133 0.000 0.878 57 R CB 0.165 30.535 30.300 0.116 0.000 1.067 57 R HN 0.199 8.477 8.270 0.012 0.000 0.457 58 L N 4.188 125.417 121.223 0.011 0.000 2.408 58 L HA 0.040 nan 4.340 nan 0.000 0.215 58 L C 0.517 177.356 176.870 -0.052 0.000 1.081 58 L CA -0.168 54.663 54.840 -0.014 0.000 0.840 58 L CB 0.758 42.788 42.059 -0.048 0.000 1.002 58 L HN 0.304 8.531 8.230 -0.005 0.000 0.468 59 L N -1.801 119.344 121.223 -0.130 0.000 2.397 59 L HA -0.050 nan 4.340 nan 0.000 0.271 59 L C 0.525 177.393 176.870 -0.004 0.000 1.148 59 L CA -0.452 54.333 54.840 -0.092 0.000 0.825 59 L CB 0.797 42.782 42.059 -0.124 0.000 1.117 59 L HN -0.538 7.609 8.230 -0.140 0.000 0.456 60 D N -0.543 119.874 120.400 0.029 0.000 2.347 60 D HA -0.271 nan 4.640 nan 0.000 0.215 60 D C -1.142 175.172 176.300 0.023 0.000 0.976 60 D CA 1.509 55.528 54.000 0.033 0.000 0.884 60 D CB 0.263 41.089 40.800 0.042 0.000 0.915 60 D HN 0.638 9.036 8.370 0.047 0.000 0.526 61 E N -4.636 115.574 120.200 0.017 0.000 2.388 61 E HA 0.007 nan 4.350 nan 0.000 0.282 61 E C -1.483 175.124 176.600 0.012 0.000 1.026 61 E CA -1.446 54.964 56.400 0.017 0.000 0.820 61 E CB 2.373 32.086 29.700 0.022 0.000 1.226 61 E HN -0.842 7.476 8.360 0.012 0.049 0.432 62 L N 2.136 123.369 121.223 0.016 0.000 2.423 62 L HA 0.107 nan 4.340 nan 0.000 0.249 62 L C -0.987 175.906 176.870 0.039 0.000 1.276 62 L CA -0.328 54.523 54.840 0.018 0.000 1.199 62 L CB -2.022 40.049 42.059 0.021 0.000 1.407 62 L HN 0.410 8.652 8.230 0.020 0.000 0.410 63 T N -4.734 109.844 114.554 0.040 0.000 2.816 63 T HA 0.324 nan 4.350 nan 0.000 0.299 63 T C -0.229 174.509 174.700 0.063 0.000 1.230 63 T CA -1.544 60.592 62.100 0.060 0.000 1.007 63 T CB 3.116 72.015 68.868 0.051 0.000 1.289 63 T HN -0.568 7.636 8.240 0.028 0.053 0.508 64 L N 1.541 122.820 121.223 0.093 0.000 2.083 64 L HA -0.276 nan 4.340 nan 0.000 0.209 64 L C 0.952 177.827 176.870 0.008 0.000 1.083 64 L CA 3.351 58.221 54.840 0.049 0.000 0.752 64 L CB 0.063 42.154 42.059 0.054 0.000 0.899 64 L HN 0.466 8.776 8.230 0.134 0.000 0.433 65 E N -1.887 118.326 120.200 0.021 0.000 2.106 65 E HA -0.343 nan 4.350 nan 0.000 0.192 65 E C 2.560 179.168 176.600 0.014 0.000 0.984 65 E CA 3.712 60.115 56.400 0.005 0.000 0.806 65 E CB -1.233 28.475 29.700 0.013 0.000 0.750 65 E HN 0.181 8.541 8.360 0.043 0.026 0.458 66 G N -0.470 108.345 108.800 0.026 0.000 2.418 66 G HA2 -0.293 nan 3.960 nan 0.000 0.217 66 G HA3 -0.293 nan 3.960 nan 0.000 0.217 66 G C 1.308 176.243 174.900 0.058 0.000 1.158 66 G CA 2.032 47.153 45.100 0.036 0.000 0.771 66 G HN -0.236 7.962 8.290 0.029 0.109 0.545 67 V N 3.007 122.946 119.914 0.043 0.000 2.358 67 V HA -0.378 nan 4.120 nan 0.000 0.246 67 V C 2.052 178.200 176.094 0.090 0.000 1.047 67 V CA 3.593 65.938 62.300 0.076 0.000 1.035 67 V CB -0.977 30.870 31.823 0.040 0.000 0.658 67 V HN -0.189 7.939 8.190 0.029 0.079 0.452 68 A N -0.952 121.876 122.820 0.013 0.000 1.902 68 A HA -0.355 nan 4.320 nan 0.000 0.217 68 A C 2.096 179.662 177.584 -0.029 0.000 1.181 68 A CA 3.364 55.373 52.037 -0.047 0.000 0.623 68 A CB -0.728 18.216 19.000 -0.093 0.000 0.818 68 A HN 0.101 8.174 8.150 -0.000 0.077 0.443 69 R N -2.302 118.205 120.500 0.012 0.000 2.081 69 R HA -0.329 nan 4.340 nan 0.000 0.235 69 R C 2.868 179.196 176.300 0.048 0.000 1.131 69 R CA 3.003 59.114 56.100 0.019 0.000 0.960 69 R CB -0.067 30.253 30.300 0.034 0.000 0.856 69 R HN -0.328 7.955 8.270 0.021 0.000 0.436 70 Y N 2.427 122.713 120.300 -0.024 0.000 2.128 70 Y HA -0.377 nan 4.550 nan 0.000 0.284 70 Y C 1.364 177.255 175.900 -0.016 0.000 1.154 70 Y CA 3.205 61.297 58.100 -0.013 0.000 1.149 70 Y CB -0.095 38.361 38.460 -0.007 0.000 0.976 70 Y HN -0.293 8.012 8.280 0.205 0.098 0.505 71 M N -5.635 113.930 119.600 -0.059 0.000 2.267 71 M HA -0.383 nan 4.480 nan 0.000 0.263 71 M C 0.745 176.960 176.300 -0.141 0.000 1.063 71 M CA 2.845 58.069 55.300 -0.126 0.000 1.090 71 M CB 0.135 32.708 32.600 -0.046 0.000 1.392 71 M HN -0.383 7.864 8.290 0.076 0.088 0.422 72 Q N -4.518 115.211 119.800 -0.117 0.000 2.204 72 Q HA 0.136 nan 4.340 nan 0.000 0.209 72 Q C -0.115 175.835 176.000 -0.084 0.000 0.861 72 Q CA -0.785 54.969 55.803 -0.081 0.000 0.971 72 Q CB 0.863 29.562 28.738 -0.066 0.000 1.095 72 Q HN -0.636 7.414 8.270 -0.098 0.161 0.486 73 S N 0.263 115.879 115.700 -0.139 0.000 2.687 73 S HA 0.136 nan 4.470 nan 0.000 0.283 73 S C 0.985 175.502 174.600 -0.138 0.000 1.170 73 S CA -0.967 57.161 58.200 -0.119 0.000 1.008 73 S CB 2.491 65.618 63.200 -0.122 0.000 1.026 73 S HN -0.343 7.648 8.310 -0.209 0.193 0.541 74 E N 2.078 122.225 120.200 -0.090 0.000 2.338 74 E HA -0.215 nan 4.350 nan 0.000 0.197 74 E C 1.526 178.067 176.600 -0.098 0.000 1.007 74 E CA 2.512 58.867 56.400 -0.076 0.000 0.849 74 E CB -0.734 28.941 29.700 -0.043 0.000 0.774 74 E HN 0.602 8.923 8.360 -0.065 0.000 0.506 75 R N -1.238 119.179 120.500 -0.139 0.000 2.153 75 R HA -0.061 nan 4.340 nan 0.000 0.218 75 R C 0.126 176.288 176.300 -0.230 0.000 1.072 75 R CA 1.350 57.369 56.100 -0.135 0.000 0.990 75 R CB 0.622 30.877 30.300 -0.074 0.000 0.889 75 R HN -0.665 7.449 8.270 -0.155 0.063 0.452 76 C N -1.267 117.791 119.300 -0.403 0.000 2.168 76 C HA 0.160 nan 4.460 nan 0.000 0.333 76 C C 0.013 174.899 174.990 -0.173 0.000 1.106 76 C CA -1.037 57.745 59.018 -0.393 0.000 1.574 76 C CB -1.811 25.523 27.740 -0.677 0.000 2.055 76 C HN -0.499 7.483 8.230 -0.413 0.000 0.473 77 R N 5.294 125.737 120.500 -0.095 0.000 2.287 77 R HA 0.177 nan 4.340 nan 0.000 0.197 77 R C -0.239 176.038 176.300 -0.037 0.000 0.900 77 R CA 0.213 56.279 56.100 -0.057 0.000 1.052 77 R CB 1.816 32.089 30.300 -0.046 0.000 1.117 77 R HN 0.225 8.758 8.270 -0.079 -0.310 0.568 78 R N 0.073 120.554 120.500 -0.031 0.000 2.388 78 R HA 0.316 nan 4.340 nan 0.000 0.314 78 R C -1.766 174.523 176.300 -0.020 0.000 0.959 78 R CA -1.493 54.589 56.100 -0.031 0.000 0.851 78 R CB 1.495 31.770 30.300 -0.041 0.000 1.168 78 R HN -0.162 8.430 8.270 -0.030 -0.339 0.472 79 V N 6.064 125.970 119.914 -0.013 0.000 2.513 79 V HA 0.770 nan 4.120 nan 0.000 0.299 79 V C -1.394 174.687 176.094 -0.022 0.000 1.035 79 V CA -1.126 61.178 62.300 0.008 0.000 0.889 79 V CB 2.567 34.420 31.823 0.049 0.000 0.988 79 V HN 0.981 9.161 8.190 -0.018 0.000 0.440 80 I N 5.375 125.920 120.570 -0.041 0.000 2.404 80 I HA 0.572 nan 4.170 nan 0.000 0.293 80 I C -1.466 174.657 176.117 0.010 0.000 0.992 80 I CA -1.494 59.768 61.300 -0.063 0.000 1.149 80 I CB 3.092 40.948 38.000 -0.241 0.000 1.315 80 I HN 0.705 8.898 8.210 -0.028 0.000 0.446 81 C N 7.340 126.669 119.300 0.048 0.000 2.355 81 C HA 0.768 nan 4.460 nan 0.000 0.332 81 C C -1.293 173.746 174.990 0.082 0.000 1.255 81 C CA -1.277 57.785 59.018 0.074 0.000 1.792 81 C CB 0.580 28.371 27.740 0.085 0.000 2.300 81 C HN 0.578 8.835 8.230 0.046 0.000 0.515 82 L N 4.490 125.759 121.223 0.078 0.000 2.343 82 L HA 0.780 nan 4.340 nan 0.000 0.278 82 L C -1.750 175.183 176.870 0.105 0.000 0.996 82 L CA -0.721 54.171 54.840 0.086 0.000 0.831 82 L CB 1.386 43.491 42.059 0.076 0.000 1.232 82 L HN 0.875 9.150 8.230 0.076 0.000 0.413 83 V N -1.202 118.787 119.914 0.124 0.000 2.914 83 V HA 0.942 nan 4.120 nan 0.000 0.314 83 V C -1.755 174.422 176.094 0.138 0.000 1.084 83 V CA -3.361 59.002 62.300 0.104 0.000 0.963 83 V CB 3.571 35.432 31.823 0.063 0.000 1.025 83 V HN 0.831 9.106 8.190 0.141 0.000 0.432 84 G N -0.253 108.612 108.800 0.107 0.000 3.222 84 G HA2 0.319 nan 3.960 nan 0.000 0.263 84 G HA3 0.319 nan 3.960 nan 0.000 0.263 84 G C -1.076 173.880 174.900 0.092 0.000 1.312 84 G CA -0.444 44.724 45.100 0.114 0.000 0.934 84 G HN 0.003 8.340 8.290 0.077 0.000 0.577 85 A N 0.248 123.122 122.820 0.089 0.000 1.986 85 A HA -0.122 nan 4.320 nan 0.000 0.220 85 A C 2.461 180.077 177.584 0.053 0.000 1.171 85 A CA 2.861 54.943 52.037 0.076 0.000 0.640 85 A CB -0.273 18.770 19.000 0.071 0.000 0.811 85 A HN 0.394 8.600 8.150 0.094 0.000 0.451 86 G N -1.812 107.016 108.800 0.045 0.000 2.448 86 G HA2 -0.227 nan 3.960 nan 0.000 0.219 86 G HA3 -0.227 nan 3.960 nan 0.000 0.219 86 G C 1.122 176.034 174.900 0.020 0.000 1.127 86 G CA 1.409 46.529 45.100 0.033 0.000 0.766 86 G HN -0.383 7.908 8.290 0.052 0.030 0.552 87 I N -5.164 115.407 120.570 0.001 0.000 3.428 87 I HA 0.012 nan 4.170 nan 0.000 0.286 87 I C -0.054 176.062 176.117 -0.001 0.000 1.287 87 I CA 1.478 62.737 61.300 -0.068 0.000 1.396 87 I CB 0.004 37.872 38.000 -0.220 0.000 1.062 87 I HN -0.459 7.735 8.210 0.015 0.024 0.471 88 S N -0.753 115.000 115.700 0.088 0.000 2.559 88 S HA 0.212 nan 4.470 nan 0.000 0.226 88 S C 1.381 176.017 174.600 0.060 0.000 1.000 88 S CA 1.287 59.584 58.200 0.161 0.000 0.948 88 S CB 0.219 63.511 63.200 0.152 0.000 0.870 88 S HN -0.243 7.933 8.310 0.062 0.171 0.497 89 T N 4.808 119.385 114.554 0.039 0.000 2.699 89 T HA -0.299 nan 4.350 nan 0.000 0.268 89 T C 1.616 176.334 174.700 0.030 0.000 1.036 89 T CA 4.729 66.837 62.100 0.013 0.000 1.147 89 T CB -0.580 68.299 68.868 0.019 0.000 0.862 89 T HN -0.506 7.760 8.240 0.043 0.000 0.446 90 S N 1.086 116.825 115.700 0.066 0.000 2.555 90 S HA -0.050 nan 4.470 nan 0.000 0.230 90 S C 0.739 175.411 174.600 0.120 0.000 0.978 90 S CA 1.907 60.161 58.200 0.089 0.000 0.934 90 S CB -0.467 62.795 63.200 0.103 0.000 0.766 90 S HN 0.065 8.412 8.310 0.073 0.007 0.533 91 A N 0.497 123.388 122.820 0.118 0.000 2.208 91 A HA 0.094 nan 4.320 nan 0.000 0.209 91 A C 0.229 177.931 177.584 0.197 0.000 1.161 91 A CA -0.030 52.103 52.037 0.160 0.000 0.782 91 A CB -0.034 19.042 19.000 0.128 0.000 0.816 91 A HN -0.464 7.553 8.150 0.090 0.187 0.477 92 G N -2.863 105.994 108.800 0.096 0.000 2.141 92 G HA2 -0.290 nan 3.960 nan 0.000 0.231 92 G HA3 -0.290 nan 3.960 nan 0.000 0.231 92 G C -0.140 174.764 174.900 0.006 0.000 0.984 92 G CA -0.112 45.061 45.100 0.122 0.000 0.660 92 G HN -0.505 7.653 8.290 0.048 0.161 0.525 93 I N 2.415 122.804 120.570 -0.301 0.000 2.517 93 I HA 0.006 nan 4.170 nan 0.000 0.285 93 I C -0.811 175.115 176.117 -0.319 0.000 1.106 93 I CA -1.887 59.087 61.300 -0.543 0.000 1.402 93 I CB -0.048 37.610 38.000 -0.570 0.000 1.399 93 I HN -0.561 7.465 8.210 -0.242 0.039 0.535 94 P HA -0.005 nan 4.420 nan 0.000 0.269 94 P C -1.673 175.213 177.300 -0.690 0.000 1.215 94 P CA -0.641 62.124 63.100 -0.559 0.000 0.780 94 P CB 0.712 31.996 31.700 -0.693 0.000 0.898 95 D N 0.178 120.333 120.400 -0.408 0.000 2.393 95 D HA 0.019 nan 4.640 nan 0.000 0.232 95 D C 0.402 176.563 176.300 -0.232 0.000 1.192 95 D CA -0.735 53.128 54.000 -0.227 0.000 0.882 95 D CB -0.369 40.369 40.800 -0.103 0.000 1.038 95 D HN 0.062 8.251 8.370 -0.301 0.000 0.499 96 F N 4.108 124.085 119.950 0.046 0.000 2.816 96 F HA -0.058 nan 4.527 nan 0.000 0.302 96 F C 0.502 176.341 175.800 0.066 0.000 1.178 96 F CA 0.644 58.685 58.000 0.068 0.000 1.421 96 F CB -0.211 38.844 39.000 0.092 0.000 1.114 96 F HN -0.023 8.304 8.300 0.045 0.000 0.573 97 R N -2.488 118.108 120.500 0.160 0.000 2.235 97 R HA -0.152 nan 4.340 nan 0.000 0.213 97 R C 0.198 176.539 176.300 0.068 0.000 1.059 97 R CA 1.182 57.350 56.100 0.114 0.000 0.997 97 R CB 0.168 30.512 30.300 0.072 0.000 0.884 97 R HN -0.416 8.128 8.270 0.110 -0.207 0.462 98 S N -0.931 114.792 115.700 0.038 0.000 2.480 98 S HA 0.344 nan 4.470 nan 0.000 0.286 98 S C -0.849 173.713 174.600 -0.062 0.000 1.180 98 S CA -3.534 54.652 58.200 -0.024 0.000 1.075 98 S CB 1.153 64.325 63.200 -0.048 0.000 0.996 98 S HN -0.622 7.623 8.310 0.054 0.097 0.487 99 P HA 0.006 nan 4.420 nan 0.000 0.237 99 P C -0.071 176.881 177.300 -0.580 0.000 1.178 99 P CA 0.801 63.518 63.100 -0.638 0.000 0.766 99 P CB 0.247 31.526 31.700 -0.701 0.000 0.876 100 S N 2.216 117.774 115.700 -0.237 0.000 3.548 100 S HA 0.132 nan 4.470 nan 0.000 0.195 100 S C -0.981 173.603 174.600 -0.027 0.000 1.432 100 S CA 0.094 58.220 58.200 -0.123 0.000 1.087 100 S CB -0.964 62.181 63.200 -0.091 0.000 1.337 100 S HN -0.336 7.866 8.310 -0.179 0.000 0.505 101 T N -2.667 111.920 114.554 0.054 0.000 2.906 101 T HA 0.420 nan 4.350 nan 0.000 0.295 101 T C 0.631 175.438 174.700 0.178 0.000 1.075 101 T CA -1.857 60.312 62.100 0.115 0.000 1.005 101 T CB 3.513 72.494 68.868 0.189 0.000 1.136 101 T HN -0.748 7.487 8.240 0.059 0.041 0.498 102 G N 0.498 109.394 108.800 0.160 0.000 2.422 102 G HA2 -0.218 nan 3.960 nan 0.000 0.218 102 G HA3 -0.218 nan 3.960 nan 0.000 0.218 102 G C 0.643 175.656 174.900 0.188 0.000 1.146 102 G CA 2.191 47.382 45.100 0.152 0.000 0.769 102 G HN 0.671 9.043 8.290 0.136 0.000 0.547 103 L N 1.225 122.604 121.223 0.260 0.000 2.017 103 L HA -0.299 nan 4.340 nan 0.000 0.208 103 L C 0.889 177.878 176.870 0.198 0.000 1.073 103 L CA 1.901 56.880 54.840 0.231 0.000 0.745 103 L CB -0.306 41.932 42.059 0.298 0.000 0.894 103 L HN -0.592 7.825 8.230 0.320 0.005 0.432 104 Y N -0.683 119.698 120.300 0.135 0.000 2.114 104 Y HA -0.642 nan 4.550 nan 0.000 0.282 104 Y C 1.665 177.593 175.900 0.047 0.000 1.165 104 Y CA 3.866 62.016 58.100 0.083 0.000 1.148 104 Y CB -0.120 38.392 38.460 0.087 0.000 0.972 104 Y HN -0.330 8.201 8.280 0.418 0.000 0.504 105 D N -2.695 117.868 120.400 0.272 0.000 2.144 105 D HA -0.338 nan 4.640 nan 0.000 0.199 105 D C 2.368 178.678 176.300 0.017 0.000 0.984 105 D CA 3.030 57.117 54.000 0.145 0.000 0.834 105 D CB -0.596 40.289 40.800 0.143 0.000 0.955 105 D HN -0.574 7.993 8.370 0.329 0.000 0.465 106 N N -0.915 117.809 118.700 0.039 0.000 2.381 106 N HA -0.162 nan 4.740 nan 0.000 0.182 106 N C 2.177 177.683 175.510 -0.007 0.000 1.025 106 N CA 2.497 55.556 53.050 0.014 0.000 0.888 106 N CB 0.357 38.886 38.487 0.070 0.000 0.965 106 N HN -0.161 8.185 8.380 0.088 0.087 0.438 107 L N -1.208 120.012 121.223 -0.005 0.000 2.375 107 L HA -0.152 nan 4.340 nan 0.000 0.215 107 L C 1.866 178.681 176.870 -0.092 0.000 1.108 107 L CA 2.270 57.151 54.840 0.067 0.000 0.830 107 L CB -0.444 41.599 42.059 -0.027 0.000 0.959 107 L HN -0.104 7.953 8.230 -0.035 0.152 0.457 108 E N 0.105 120.162 120.200 -0.238 0.000 2.097 108 E HA -0.429 nan 4.350 nan 0.000 0.196 108 E C 2.032 178.461 176.600 -0.285 0.000 1.000 108 E CA 3.588 59.812 56.400 -0.292 0.000 0.804 108 E CB -0.627 28.927 29.700 -0.243 0.000 0.740 108 E HN -0.363 7.828 8.360 -0.221 0.037 0.454 109 K N -1.446 118.788 120.400 -0.277 0.000 2.360 109 K HA -0.220 nan 4.320 nan 0.000 0.201 109 K C 2.569 179.131 176.600 -0.063 0.000 1.046 109 K CA 2.166 58.331 56.287 -0.204 0.000 0.945 109 K CB -0.752 31.533 32.500 -0.358 0.000 0.750 109 K HN 0.106 8.164 8.250 -0.304 0.009 0.464 110 Y N -2.015 118.344 120.300 0.097 0.000 2.546 110 Y HA -0.244 nan 4.550 nan 0.000 0.287 110 Y C -0.560 175.447 175.900 0.178 0.000 1.158 110 Y CA 0.177 58.347 58.100 0.116 0.000 1.307 110 Y CB -0.151 38.340 38.460 0.052 0.000 1.036 110 Y HN -0.548 7.450 8.280 -0.202 0.161 0.532 111 H N -5.034 114.055 119.070 0.031 0.000 2.604 111 H HA -0.348 nan 4.556 nan 0.000 0.321 111 H C -0.202 175.116 175.328 -0.018 0.000 1.132 111 H CA 0.701 56.743 56.048 -0.010 0.000 1.129 111 H CB -3.210 26.544 29.762 -0.014 0.000 1.526 111 H HN -0.563 7.584 8.280 0.056 0.166 0.415 112 L N -0.718 120.503 121.223 -0.003 0.000 2.578 112 L HA -0.161 nan 4.340 nan 0.000 0.279 112 L C -0.410 176.366 176.870 -0.157 0.000 1.227 112 L CA 0.210 54.950 54.840 -0.165 0.000 0.900 112 L CB -0.361 41.530 42.059 -0.279 0.000 1.144 112 L HN 0.125 8.334 8.230 -0.035 0.000 0.496 113 P HA -0.095 nan 4.420 nan 0.000 0.217 113 P C -1.941 175.412 177.300 0.088 0.000 1.151 113 P CA 1.580 64.671 63.100 -0.015 0.000 0.828 113 P CB 0.324 32.070 31.700 0.076 0.000 0.788 114 Y N -9.303 110.926 120.300 -0.118 0.000 2.592 114 Y HA 0.368 nan 4.550 nan 0.000 0.334 114 Y C -1.886 173.933 175.900 -0.136 0.000 1.136 114 Y CA -3.568 54.472 58.100 -0.100 0.000 1.042 114 Y CB -0.653 37.758 38.460 -0.083 0.000 1.325 114 Y HN -0.620 7.227 8.280 -0.689 0.020 0.457 115 P HA -0.278 nan 4.420 nan 0.000 0.216 115 P C 0.727 178.004 177.300 -0.037 0.000 1.153 115 P CA 2.453 65.537 63.100 -0.026 0.000 0.858 115 P CB 0.310 32.043 31.700 0.055 0.000 0.789 116 E N -1.410 118.852 120.200 0.105 0.000 2.418 116 E HA -0.122 nan 4.350 nan 0.000 0.197 116 E C 1.410 178.022 176.600 0.021 0.000 1.026 116 E CA 2.048 58.538 56.400 0.149 0.000 0.862 116 E CB -1.420 28.296 29.700 0.026 0.000 0.799 116 E HN 0.264 8.753 8.360 0.214 0.000 0.518 117 A N 0.236 122.795 122.820 -0.434 0.000 2.024 117 A HA -0.204 nan 4.320 nan 0.000 0.220 117 A C 1.859 179.161 177.584 -0.471 0.000 1.164 117 A CA 2.739 54.319 52.037 -0.762 0.000 0.643 117 A CB -0.728 17.210 19.000 -1.770 0.000 0.806 117 A HN -0.278 7.397 8.150 -0.526 0.159 0.451 118 I N -2.637 117.658 120.570 -0.459 0.000 2.756 118 I HA -0.343 nan 4.170 nan 0.000 0.262 118 I C 0.222 176.045 176.117 -0.491 0.000 1.225 118 I CA 2.230 63.275 61.300 -0.424 0.000 1.472 118 I CB 0.364 38.011 38.000 -0.588 0.000 1.094 118 I HN -0.642 7.268 8.210 -0.466 0.020 0.454 119 F N -2.855 117.003 119.950 -0.153 0.000 2.654 119 F HA 0.256 nan 4.527 nan 0.000 0.303 119 F C -1.384 174.338 175.800 -0.130 0.000 1.099 119 F CA -1.249 56.456 58.000 -0.491 0.000 1.270 119 F CB 1.202 40.017 39.000 -0.308 0.000 1.024 119 F HN -0.503 7.584 8.300 -0.108 0.149 0.548 120 E N 0.508 120.907 120.200 0.331 0.000 2.134 120 E HA 0.260 nan 4.350 nan 0.000 0.278 120 E C -0.044 176.905 176.600 0.582 0.000 0.959 120 E CA -1.024 55.670 56.400 0.490 0.000 0.783 120 E CB 1.084 31.028 29.700 0.407 0.000 1.095 120 E HN -0.438 7.865 8.360 0.205 0.180 0.399 121 I N 6.921 127.810 120.570 0.532 0.000 2.286 121 I HA -0.468 nan 4.170 nan 0.000 0.248 121 I C 0.420 176.724 176.117 0.312 0.000 1.115 121 I CA 2.445 63.959 61.300 0.356 0.000 1.392 121 I CB 0.209 38.288 38.000 0.132 0.000 1.065 121 I HN 0.364 8.866 8.210 0.487 0.000 0.418 122 S N 0.659 116.529 115.700 0.283 0.000 2.383 122 S HA -0.352 nan 4.470 nan 0.000 0.227 122 S C 1.880 176.611 174.600 0.218 0.000 1.026 122 S CA 3.655 61.981 58.200 0.209 0.000 0.981 122 S CB -0.921 62.394 63.200 0.191 0.000 0.818 122 S HN 0.078 8.539 8.310 0.314 0.038 0.472 123 Y N 3.800 124.221 120.300 0.203 0.000 2.163 123 Y HA -0.356 nan 4.550 nan 0.000 0.288 123 Y C 1.111 177.114 175.900 0.171 0.000 1.136 123 Y CA 3.331 61.543 58.100 0.187 0.000 1.147 123 Y CB 0.117 38.666 38.460 0.148 0.000 0.987 123 Y HN -0.962 7.599 8.280 0.468 0.000 0.509 124 F N 0.389 120.499 119.950 0.267 0.000 2.120 124 F HA -0.477 nan 4.527 nan 0.000 0.300 124 F C 1.064 176.858 175.800 -0.009 0.000 1.095 124 F CA 3.388 61.482 58.000 0.157 0.000 1.249 124 F CB 0.116 39.215 39.000 0.165 0.000 0.995 124 F HN 0.089 8.774 8.300 0.641 0.000 0.480 125 K N -3.216 117.130 120.400 -0.089 0.000 2.283 125 K HA -0.236 nan 4.320 nan 0.000 0.202 125 K C 1.071 177.470 176.600 -0.335 0.000 1.048 125 K CA 2.122 58.275 56.287 -0.223 0.000 0.948 125 K CB 0.189 32.663 32.500 -0.044 0.000 0.742 125 K HN -0.396 7.945 8.250 0.151 0.000 0.458 126 K N -3.332 116.810 120.400 -0.429 0.000 2.276 126 K HA -0.048 nan 4.320 nan 0.000 0.198 126 K C 0.693 176.697 176.600 -0.992 0.000 1.052 126 K CA 1.221 57.084 56.287 -0.706 0.000 0.984 126 K CB 1.790 33.775 32.500 -0.858 0.000 0.836 126 K HN -0.578 7.314 8.250 -0.360 0.142 0.490 127 H N -1.957 116.844 119.070 -0.448 0.000 2.488 127 H HA 0.371 nan 4.556 nan 0.000 0.237 127 H C -1.893 173.283 175.328 -0.254 0.000 1.395 127 H CA -3.095 52.724 56.048 -0.380 0.000 1.491 127 H CB -0.086 29.319 29.762 -0.595 0.000 1.567 127 H HN -0.086 7.808 8.280 -0.643 0.000 0.508 128 P HA -0.123 nan 4.420 nan 0.000 0.233 128 P C 0.546 177.933 177.300 0.146 0.000 1.167 128 P CA 1.354 64.327 63.100 -0.212 0.000 0.770 128 P CB 0.721 32.133 31.700 -0.479 0.000 0.837 129 E N 0.743 120.953 120.200 0.017 0.000 2.058 129 E HA -0.231 nan 4.350 nan 0.000 0.194 129 E C -0.825 175.515 176.600 -0.433 0.000 0.997 129 E CA 5.442 61.771 56.400 -0.117 0.000 0.801 129 E CB -2.490 27.107 29.700 -0.172 0.000 0.746 129 E HN 0.405 8.707 8.360 -0.014 0.050 0.450 130 P HA -0.247 nan 4.420 nan 0.000 0.215 130 P C 0.913 178.092 177.300 -0.201 0.000 1.157 130 P CA 2.661 65.400 63.100 -0.601 0.000 0.868 130 P CB -0.451 31.099 31.700 -0.251 0.000 0.788 131 F N -1.068 118.817 119.950 -0.108 0.000 2.134 131 F HA -0.337 nan 4.527 nan 0.000 0.299 131 F C 1.299 177.053 175.800 -0.076 0.000 1.097 131 F CA 3.241 61.186 58.000 -0.091 0.000 1.264 131 F CB 0.026 39.068 39.000 0.069 0.000 1.001 131 F HN -0.398 8.053 8.300 0.251 0.000 0.479 132 F N -1.876 118.119 119.950 0.075 0.000 2.365 132 F HA -0.463 nan 4.527 nan 0.000 0.300 132 F C 1.746 177.417 175.800 -0.215 0.000 1.090 132 F CA 3.619 61.579 58.000 -0.067 0.000 1.408 132 F CB -0.512 38.519 39.000 0.051 0.000 1.060 132 F HN -0.336 8.100 8.300 0.227 0.000 0.534 133 A N 0.489 123.275 122.820 -0.057 0.000 1.929 133 A HA -0.246 nan 4.320 nan 0.000 0.216 133 A C 1.406 178.916 177.584 -0.123 0.000 1.176 133 A CA 2.981 54.984 52.037 -0.056 0.000 0.628 133 A CB -0.991 18.039 19.000 0.050 0.000 0.816 133 A HN -0.002 7.947 8.150 -0.099 0.142 0.444 134 L N -1.233 119.848 121.223 -0.237 0.000 2.027 134 L HA -0.360 nan 4.340 nan 0.000 0.206 134 L C 1.574 178.269 176.870 -0.293 0.000 1.074 134 L CA 2.767 57.436 54.840 -0.286 0.000 0.745 134 L CB -0.126 41.695 42.059 -0.397 0.000 0.898 134 L HN -0.433 7.538 8.230 -0.283 0.089 0.433 135 A N -1.425 121.133 122.820 -0.436 0.000 1.892 135 A HA -0.462 nan 4.320 nan 0.000 0.218 135 A C 1.497 179.003 177.584 -0.131 0.000 1.188 135 A CA 3.279 55.131 52.037 -0.307 0.000 0.631 135 A CB -0.980 17.977 19.000 -0.072 0.000 0.822 135 A HN 0.561 8.216 8.150 -0.637 0.112 0.447 136 K N -2.143 118.158 120.400 -0.164 0.000 2.097 136 K HA -0.298 nan 4.320 nan 0.000 0.206 136 K C 2.625 179.250 176.600 0.040 0.000 1.049 136 K CA 3.019 59.166 56.287 -0.234 0.000 0.933 136 K CB -0.084 32.139 32.500 -0.461 0.000 0.717 136 K HN -0.174 7.859 8.250 -0.175 0.113 0.442 137 E N -1.048 119.170 120.200 0.030 0.000 2.106 137 E HA -0.178 nan 4.350 nan 0.000 0.192 137 E C 1.234 178.006 176.600 0.285 0.000 0.984 137 E CA 2.364 58.858 56.400 0.156 0.000 0.806 137 E CB 0.133 29.926 29.700 0.155 0.000 0.750 137 E HN -0.618 7.603 8.360 -0.046 0.111 0.458 138 L N -3.291 118.029 121.223 0.161 0.000 2.693 138 L HA 0.013 nan 4.340 nan 0.000 0.235 138 L C -0.184 176.715 176.870 0.049 0.000 1.127 138 L CA -0.456 54.501 54.840 0.196 0.000 0.914 138 L CB 0.800 42.862 42.059 0.004 0.000 1.193 138 L HN -0.801 7.342 8.230 0.007 0.092 0.502 139 Y N 2.223 122.469 120.300 -0.090 0.000 2.702 139 Y HA -0.201 nan 4.550 nan 0.000 0.336 139 Y C -2.162 173.755 175.900 0.028 0.000 1.235 139 Y CA -0.017 58.030 58.100 -0.088 0.000 1.492 139 Y CB 0.903 39.466 38.460 0.171 0.000 1.308 139 Y HN -0.679 7.579 8.280 0.234 0.162 0.589 140 P HA -0.368 nan 4.420 nan 0.000 0.260 140 P C -1.201 176.078 177.300 -0.035 0.000 1.172 140 P CA 1.570 64.574 63.100 -0.159 0.000 0.760 140 P CB -0.338 31.215 31.700 -0.244 0.000 0.773 141 G N 3.408 112.199 108.800 -0.015 0.000 2.278 141 G HA2 -0.323 nan 3.960 nan 0.000 0.210 141 G HA3 -0.323 nan 3.960 nan 0.000 0.210 141 G C 0.789 175.616 174.900 -0.121 0.000 1.000 141 G CA 0.463 45.526 45.100 -0.062 0.000 0.635 141 G HN 0.254 8.553 8.290 0.014 0.000 0.495 142 Q N -1.034 118.695 119.800 -0.118 0.000 2.245 142 Q HA -0.089 nan 4.340 nan 0.000 0.201 142 Q C 0.272 175.825 176.000 -0.746 0.000 0.955 142 Q CA 1.234 56.804 55.803 -0.389 0.000 0.870 142 Q CB 0.884 29.409 28.738 -0.355 0.000 0.945 142 Q HN -0.017 8.171 8.270 -0.011 0.075 0.461 143 F N -2.432 117.515 119.950 -0.006 0.000 2.599 143 F HA 0.149 nan 4.527 nan 0.000 0.311 143 F C -1.719 174.050 175.800 -0.052 0.000 1.076 143 F CA -1.112 56.878 58.000 -0.017 0.000 0.937 143 F CB 3.153 42.158 39.000 0.008 0.000 1.282 143 F HN -0.607 7.717 8.300 0.078 0.023 0.460 144 K N 2.514 122.977 120.400 0.104 0.000 2.123 144 K HA 0.335 nan 4.320 nan 0.000 0.259 144 K C -2.261 174.385 176.600 0.078 0.000 0.960 144 K CA -2.287 53.989 56.287 -0.020 0.000 0.872 144 K CB 0.174 32.449 32.500 -0.376 0.000 1.079 144 K HN 0.241 8.579 8.250 0.146 0.000 0.440 145 P HA -0.029 nan 4.420 nan 0.000 0.270 145 P C -1.526 175.988 177.300 0.357 0.000 1.223 145 P CA -0.136 62.919 63.100 -0.074 0.000 0.785 145 P CB 0.756 32.203 31.700 -0.421 0.000 0.923 146 T N -5.304 109.547 114.554 0.495 0.000 2.910 146 T HA 0.423 nan 4.350 nan 0.000 0.279 146 T C 1.650 176.602 174.700 0.421 0.000 0.989 146 T CA -2.912 59.461 62.100 0.455 0.000 0.968 146 T CB 3.074 72.140 68.868 0.330 0.000 1.135 146 T HN -0.130 8.672 8.240 0.938 0.000 0.562 147 I N -0.275 120.481 120.570 0.310 0.000 2.194 147 I HA -0.467 nan 4.170 nan 0.000 0.246 147 I C 1.372 177.622 176.117 0.222 0.000 1.093 147 I CA 3.884 65.342 61.300 0.264 0.000 1.355 147 I CB -0.194 37.892 38.000 0.143 0.000 1.046 147 I HN 0.469 8.833 8.210 0.257 0.000 0.413 148 C N -1.794 117.558 119.300 0.088 0.000 2.429 148 C HA -0.404 nan 4.460 nan 0.000 0.277 148 C C 2.372 177.359 174.990 -0.006 0.000 1.262 148 C CA 4.019 63.027 59.018 -0.018 0.000 1.733 148 C CB -1.912 25.717 27.740 -0.185 0.000 2.010 148 C HN -0.365 7.903 8.230 0.079 0.010 0.483 149 H N -0.168 118.924 119.070 0.037 0.000 2.357 149 H HA -0.304 nan 4.556 nan 0.000 0.301 149 H C 2.474 177.728 175.328 -0.124 0.000 1.082 149 H CA 4.160 60.153 56.048 -0.092 0.000 1.342 149 H CB -0.218 29.391 29.762 -0.255 0.000 1.389 149 H HN -0.722 7.447 8.280 -0.044 0.084 0.511 150 Y N -1.476 118.964 120.300 0.235 0.000 2.373 150 Y HA -0.358 nan 4.550 nan 0.000 0.293 150 Y C 1.701 177.679 175.900 0.130 0.000 1.129 150 Y CA 2.963 61.148 58.100 0.142 0.000 1.226 150 Y CB -0.842 37.677 38.460 0.098 0.000 1.000 150 Y HN -0.152 8.226 8.280 0.163 0.000 0.549 151 F N 1.541 121.588 119.950 0.163 0.000 2.146 151 F HA -0.479 nan 4.527 nan 0.000 0.298 151 F C 1.227 177.089 175.800 0.104 0.000 1.096 151 F CA 4.035 62.119 58.000 0.140 0.000 1.275 151 F CB 0.343 39.410 39.000 0.111 0.000 1.008 151 F HN 0.003 8.405 8.300 0.405 0.141 0.480 152 M N -1.639 118.057 119.600 0.161 0.000 2.229 152 M HA -0.478 nan 4.480 nan 0.000 0.264 152 M C 1.927 178.195 176.300 -0.053 0.000 1.063 152 M CA 3.924 59.245 55.300 0.035 0.000 1.114 152 M CB -0.409 32.241 32.600 0.084 0.000 1.387 152 M HN -0.443 7.913 8.290 0.252 0.085 0.420 153 R N 0.240 120.733 120.500 -0.011 0.000 2.081 153 R HA -0.241 nan 4.340 nan 0.000 0.235 153 R C 2.193 178.421 176.300 -0.121 0.000 1.131 153 R CA 2.701 58.789 56.100 -0.019 0.000 0.960 153 R CB -1.032 29.331 30.300 0.105 0.000 0.856 153 R HN -0.437 7.744 8.270 0.049 0.118 0.436 154 L N -1.283 119.815 121.223 -0.208 0.000 2.056 154 L HA -0.341 nan 4.340 nan 0.000 0.207 154 L C 2.127 178.686 176.870 -0.519 0.000 1.078 154 L CA 3.050 57.628 54.840 -0.438 0.000 0.749 154 L CB -0.330 41.356 42.059 -0.621 0.000 0.901 154 L HN -0.167 7.885 8.230 -0.147 0.090 0.433 155 L N -2.064 118.894 121.223 -0.442 0.000 2.043 155 L HA -0.548 nan 4.340 nan 0.000 0.212 155 L C 1.870 178.630 176.870 -0.184 0.000 1.075 155 L CA 3.469 58.147 54.840 -0.270 0.000 0.752 155 L CB -0.799 41.160 42.059 -0.166 0.000 0.891 155 L HN 0.049 7.941 8.230 -0.453 0.066 0.432 156 K N -0.724 119.583 120.400 -0.155 0.000 2.026 156 K HA -0.388 nan 4.320 nan 0.000 0.208 156 K C 2.809 179.333 176.600 -0.126 0.000 1.048 156 K CA 3.457 59.678 56.287 -0.111 0.000 0.929 156 K CB -0.330 32.120 32.500 -0.082 0.000 0.713 156 K HN -0.135 7.931 8.250 -0.161 0.087 0.439 157 D N -0.287 120.015 120.400 -0.162 0.000 2.269 157 D HA -0.085 nan 4.640 nan 0.000 0.208 157 D C 1.667 177.858 176.300 -0.183 0.000 0.963 157 D CA 2.435 56.339 54.000 -0.159 0.000 0.864 157 D CB -0.193 40.508 40.800 -0.165 0.000 0.936 157 D HN -0.177 8.084 8.370 -0.182 0.000 0.505 158 K N -2.609 117.649 120.400 -0.237 0.000 2.387 158 K HA 0.202 nan 4.320 nan 0.000 0.198 158 K C 0.195 176.729 176.600 -0.108 0.000 1.022 158 K CA -0.619 55.544 56.287 -0.207 0.000 1.128 158 K CB 0.379 32.681 32.500 -0.331 0.000 0.853 158 K HN -0.348 7.700 8.250 -0.274 0.036 0.523 159 G N -2.081 106.660 108.800 -0.097 0.000 2.153 159 G HA2 -0.315 nan 3.960 nan 0.000 0.252 159 G HA3 -0.315 nan 3.960 nan 0.000 0.252 159 G C 0.091 174.965 174.900 -0.045 0.000 0.994 159 G CA 0.672 45.735 45.100 -0.063 0.000 0.698 159 G HN -0.325 7.702 8.290 -0.116 0.193 0.521 160 L N -1.575 119.624 121.223 -0.041 0.000 2.463 160 L HA 0.092 nan 4.340 nan 0.000 0.219 160 L C -0.900 175.957 176.870 -0.020 0.000 1.088 160 L CA -0.007 54.825 54.840 -0.012 0.000 0.849 160 L CB 0.745 42.828 42.059 0.039 0.000 1.012 160 L HN -0.043 8.110 8.230 -0.063 0.039 0.468 161 L N -0.467 120.733 121.223 -0.038 0.000 2.325 161 L HA 0.038 nan 4.340 nan 0.000 0.284 161 L C -0.220 176.624 176.870 -0.044 0.000 1.089 161 L CA 0.202 55.020 54.840 -0.037 0.000 0.836 161 L CB 0.520 42.551 42.059 -0.046 0.000 1.184 161 L HN -0.782 7.416 8.230 -0.055 0.000 0.444 162 L N 7.848 129.042 121.223 -0.047 0.000 2.102 162 L HA -0.006 nan 4.340 nan 0.000 0.202 162 L C -0.807 176.025 176.870 -0.064 0.000 1.076 162 L CA 1.233 56.038 54.840 -0.060 0.000 0.761 162 L CB 0.818 42.828 42.059 -0.080 0.000 0.921 162 L HN 0.849 8.949 8.230 -0.042 0.104 0.444 163 R N -6.559 113.905 120.500 -0.059 0.000 2.687 163 R HA 0.229 nan 4.340 nan 0.000 0.265 163 R C -2.792 173.482 176.300 -0.043 0.000 1.048 163 R CA -0.822 55.231 56.100 -0.078 0.000 0.884 163 R CB 3.468 33.715 30.300 -0.088 0.000 1.258 163 R HN -0.833 7.407 8.270 -0.050 0.000 0.469 164 C N 3.884 123.121 119.300 -0.105 0.000 2.301 164 C HA 0.802 nan 4.460 nan 0.000 0.323 164 C C -1.739 173.143 174.990 -0.180 0.000 1.265 164 C CA -2.668 56.319 59.018 -0.051 0.000 1.503 164 C CB 0.879 28.601 27.740 -0.029 0.000 2.195 164 C HN 0.653 8.777 8.230 -0.177 0.000 0.477 165 Y N 7.763 127.920 120.300 -0.237 0.000 2.367 165 Y HA 0.360 nan 4.550 nan 0.000 0.342 165 Y C -1.515 174.283 175.900 -0.170 0.000 0.979 165 Y CA -1.153 56.673 58.100 -0.457 0.000 1.161 165 Y CB 0.827 38.665 38.460 -1.036 0.000 1.155 165 Y HN 1.104 9.493 8.280 0.181 0.000 0.503 166 T N 5.719 120.334 114.554 0.102 0.000 2.863 166 T HA 0.507 nan 4.350 nan 0.000 0.285 166 T C -0.789 174.103 174.700 0.320 0.000 1.009 166 T CA -2.151 60.077 62.100 0.213 0.000 0.989 166 T CB 2.212 71.162 68.868 0.136 0.000 1.004 166 T HN 0.703 8.940 8.240 -0.004 0.000 0.455 167 Q N 5.734 125.701 119.800 0.278 0.000 2.408 167 Q HA 0.111 nan 4.340 nan 0.000 0.205 167 Q C -0.158 175.981 176.000 0.232 0.000 0.919 167 Q CA 0.238 56.169 55.803 0.213 0.000 0.932 167 Q CB 1.026 29.871 28.738 0.179 0.000 1.058 167 Q HN 0.351 8.769 8.270 0.247 0.000 0.517 168 N N -0.290 118.532 118.700 0.204 0.000 2.483 168 N HA -0.018 nan 4.740 nan 0.000 0.269 168 N C 0.122 175.755 175.510 0.206 0.000 1.209 168 N CA 0.477 53.643 53.050 0.193 0.000 0.969 168 N CB 0.720 39.317 38.487 0.183 0.000 1.173 168 N HN -0.565 7.889 8.380 0.197 0.044 0.475 169 I N -4.947 115.750 120.570 0.211 0.000 3.569 169 I HA 0.333 nan 4.170 nan 0.000 0.334 169 I C -0.531 175.797 176.117 0.352 0.000 1.570 169 I CA -1.012 60.461 61.300 0.287 0.000 1.082 169 I CB -0.305 37.867 38.000 0.287 0.000 1.323 169 I HN 0.086 8.411 8.210 0.191 0.000 0.489 170 D N -0.332 120.205 120.400 0.228 0.000 2.360 170 D HA -0.070 nan 4.640 nan 0.000 0.210 170 D C 0.269 176.655 176.300 0.143 0.000 1.047 170 D CA -0.235 53.861 54.000 0.160 0.000 0.854 170 D CB -0.004 40.833 40.800 0.061 0.000 0.936 170 D HN -0.039 8.382 8.370 0.200 0.069 0.514 171 T N -2.601 112.057 114.554 0.173 0.000 5.221 171 T HA -0.329 nan 4.350 nan 0.000 0.299 171 T C 0.968 175.696 174.700 0.047 0.000 1.489 171 T CA 1.436 63.627 62.100 0.151 0.000 2.593 171 T CB -1.958 67.028 68.868 0.195 0.000 1.859 171 T HN 0.045 8.359 8.240 0.206 0.049 0.982 172 L N -1.112 120.077 121.223 -0.057 0.000 2.291 172 L HA -0.365 nan 4.340 nan 0.000 0.214 172 L C 1.210 177.912 176.870 -0.280 0.000 1.120 172 L CA 3.228 57.887 54.840 -0.302 0.000 0.799 172 L CB -0.637 40.966 42.059 -0.760 0.000 0.925 172 L HN -0.047 8.457 8.230 -0.015 -0.283 0.446 173 E N -0.997 119.177 120.200 -0.042 0.000 2.047 173 E HA -0.345 nan 4.350 nan 0.000 0.191 173 E C 2.358 178.937 176.600 -0.035 0.000 0.987 173 E CA 3.882 60.306 56.400 0.040 0.000 0.799 173 E CB -1.165 28.587 29.700 0.087 0.000 0.752 173 E HN 0.221 8.560 8.360 0.018 0.032 0.449 174 R N -0.972 119.504 120.500 -0.041 0.000 2.092 174 R HA -0.198 nan 4.340 nan 0.000 0.231 174 R C 3.056 179.334 176.300 -0.037 0.000 1.119 174 R CA 2.999 59.039 56.100 -0.099 0.000 0.970 174 R CB -0.380 29.787 30.300 -0.223 0.000 0.864 174 R HN -0.031 8.233 8.270 -0.011 0.000 0.440 175 I N -0.453 120.121 120.570 0.006 0.000 2.394 175 I HA -0.352 nan 4.170 nan 0.000 0.251 175 I C 0.765 176.896 176.117 0.023 0.000 1.136 175 I CA 2.933 64.261 61.300 0.046 0.000 1.425 175 I CB -0.105 37.918 38.000 0.037 0.000 1.079 175 I HN -0.369 7.759 8.210 -0.008 0.076 0.425 176 A N -3.760 119.004 122.820 -0.092 0.000 2.206 176 A HA -0.073 nan 4.320 nan 0.000 0.211 176 A C -0.232 177.366 177.584 0.022 0.000 1.158 176 A CA 0.987 52.926 52.037 -0.164 0.000 0.761 176 A CB 0.228 18.938 19.000 -0.484 0.000 0.801 176 A HN -0.165 7.792 8.150 -0.129 0.115 0.473 177 G N -4.652 104.154 108.800 0.009 0.000 2.192 177 G HA2 -0.238 nan 3.960 nan 0.000 0.193 177 G HA3 -0.238 nan 3.960 nan 0.000 0.193 177 G C -0.442 174.445 174.900 -0.022 0.000 0.999 177 G CA -0.460 44.650 45.100 0.017 0.000 0.659 177 G HN -0.467 7.623 8.290 -0.016 0.191 0.503 178 L N 0.493 121.693 121.223 -0.039 0.000 2.426 178 L HA -0.075 nan 4.340 nan 0.000 0.271 178 L C 0.107 176.929 176.870 -0.081 0.000 1.169 178 L CA 0.911 55.721 54.840 -0.050 0.000 0.836 178 L CB 0.493 42.528 42.059 -0.039 0.000 1.112 178 L HN -0.489 7.718 8.230 -0.039 0.000 0.465 179 E N 3.078 123.233 120.200 -0.076 0.000 2.267 179 E HA 0.163 nan 4.350 nan 0.000 0.258 179 E C -0.325 176.221 176.600 -0.089 0.000 1.074 179 E CA -1.455 54.888 56.400 -0.095 0.000 0.915 179 E CB 1.105 30.767 29.700 -0.064 0.000 1.186 179 E HN 0.170 8.864 8.360 -0.061 -0.370 0.439 180 Q N 1.103 120.846 119.800 -0.094 0.000 2.112 180 Q HA -0.347 nan 4.340 nan 0.000 0.206 180 Q C 1.875 177.868 176.000 -0.012 0.000 0.987 180 Q CA 3.943 59.717 55.803 -0.048 0.000 0.858 180 Q CB -0.271 28.448 28.738 -0.031 0.000 0.905 180 Q HN 0.470 8.673 8.270 -0.111 0.000 0.420 181 E N -4.001 116.186 120.200 -0.021 0.000 2.265 181 E HA -0.247 nan 4.350 nan 0.000 0.196 181 E C 1.497 178.077 176.600 -0.034 0.000 0.996 181 E CA 2.605 58.996 56.400 -0.015 0.000 0.832 181 E CB -1.161 28.528 29.700 -0.019 0.000 0.756 181 E HN 0.559 8.887 8.360 -0.030 0.014 0.491 182 D N -0.613 119.758 120.400 -0.048 0.000 2.355 182 D HA 0.058 nan 4.640 nan 0.000 0.218 182 D C -1.229 175.010 176.300 -0.102 0.000 1.004 182 D CA 1.299 55.258 54.000 -0.068 0.000 0.880 182 D CB 0.585 41.349 40.800 -0.060 0.000 0.911 182 D HN -0.300 7.894 8.370 -0.047 0.148 0.528 183 L N -2.317 118.852 121.223 -0.089 0.000 2.354 183 L HA 0.609 nan 4.340 nan 0.000 0.269 183 L C -1.516 175.238 176.870 -0.193 0.000 1.005 183 L CA -0.844 53.914 54.840 -0.136 0.000 0.819 183 L CB 3.810 45.842 42.059 -0.045 0.000 1.311 183 L HN -0.570 7.452 8.230 -0.046 0.180 0.423 184 V N 2.452 122.055 119.914 -0.517 0.000 2.409 184 V HA 0.295 nan 4.120 nan 0.000 0.290 184 V C -1.604 174.069 176.094 -0.702 0.000 1.017 184 V CA -1.023 60.684 62.300 -0.989 0.000 0.841 184 V CB 2.091 33.052 31.823 -1.438 0.000 1.003 184 V HN 0.585 8.463 8.190 -0.519 0.000 0.426 185 E N 6.966 126.803 120.200 -0.604 0.000 2.109 185 E HA 0.344 nan 4.350 nan 0.000 0.278 185 E C 0.433 177.012 176.600 -0.035 0.000 0.954 185 E CA -1.217 55.145 56.400 -0.063 0.000 0.779 185 E CB 0.610 30.429 29.700 0.198 0.000 1.093 185 E HN 0.402 8.315 8.360 -0.745 0.000 0.401 186 A N 7.136 129.964 122.820 0.013 0.000 1.986 186 A HA -0.237 nan 4.320 nan 0.000 0.220 186 A C 0.411 177.721 177.584 -0.457 0.000 1.171 186 A CA 2.980 54.811 52.037 -0.344 0.000 0.640 186 A CB -0.039 18.552 19.000 -0.680 0.000 0.811 186 A HN 0.893 9.141 8.150 0.164 0.000 0.451 187 H N -4.988 114.075 119.070 -0.011 0.000 2.581 187 H HA 0.251 nan 4.556 nan 0.000 0.275 187 H C -0.683 174.641 175.328 -0.006 0.000 1.126 187 H CA -1.075 54.933 56.048 -0.067 0.000 1.097 187 H CB 0.195 29.859 29.762 -0.164 0.000 1.626 187 H HN -0.009 8.250 8.280 0.003 0.023 0.565 188 G N -0.550 108.366 108.800 0.194 0.000 2.632 188 G HA2 -0.408 nan 3.960 nan 0.000 0.224 188 G HA3 -0.408 nan 3.960 nan 0.000 0.224 188 G C -1.620 173.363 174.900 0.138 0.000 1.341 188 G CA -0.200 45.005 45.100 0.175 0.000 0.880 188 G HN -0.491 7.829 8.290 0.236 0.111 0.566 189 T N -0.927 113.679 114.554 0.086 0.000 2.868 189 T HA 0.324 nan 4.350 nan 0.000 0.306 189 T C -1.407 173.334 174.700 0.069 0.000 1.224 189 T CA -1.295 60.876 62.100 0.119 0.000 1.012 189 T CB 2.080 71.073 68.868 0.208 0.000 1.221 189 T HN -0.058 8.115 8.240 0.066 0.107 0.499 190 F N 1.801 121.869 119.950 0.197 0.000 2.776 190 F HA 0.122 nan 4.527 nan 0.000 0.300 190 F C 0.747 176.623 175.800 0.126 0.000 1.116 190 F CA 1.385 59.485 58.000 0.167 0.000 1.375 190 F CB 0.871 39.883 39.000 0.020 0.000 1.109 190 F HN 0.560 9.099 8.300 0.398 0.000 0.585 191 Y N -0.099 120.323 120.300 0.203 0.000 2.224 191 Y HA -0.335 nan 4.550 nan 0.000 0.289 191 Y C -1.191 174.803 175.900 0.156 0.000 1.146 191 Y CA 3.227 61.410 58.100 0.139 0.000 1.182 191 Y CB 0.640 39.164 38.460 0.107 0.000 0.983 191 Y HN -0.471 8.010 8.280 0.424 0.053 0.524 192 T N -7.554 107.194 114.554 0.323 0.000 2.932 192 T HA 0.337 nan 4.350 nan 0.000 0.289 192 T C -1.518 173.299 174.700 0.196 0.000 1.039 192 T CA -2.549 59.683 62.100 0.220 0.000 1.024 192 T CB 3.428 72.441 68.868 0.241 0.000 1.090 192 T HN -0.847 7.598 8.240 0.342 0.000 0.496 193 S N 1.047 116.794 115.700 0.079 0.000 2.564 193 S HA 0.815 nan 4.470 nan 0.000 0.274 193 S C -1.921 172.611 174.600 -0.115 0.000 1.124 193 S CA -0.299 57.984 58.200 0.137 0.000 0.869 193 S CB 4.041 67.406 63.200 0.275 0.000 1.105 193 S HN 0.082 8.362 8.310 -0.050 0.000 0.472 194 H N 0.461 119.627 119.070 0.160 0.000 2.961 194 H HA 0.449 nan 4.556 nan 0.000 0.371 194 H C -1.437 173.982 175.328 0.152 0.000 1.190 194 H CA -0.266 55.869 56.048 0.146 0.000 1.138 194 H CB 4.341 34.145 29.762 0.070 0.000 1.816 194 H HN 0.560 8.999 8.280 0.265 0.000 0.551 195 C N 3.177 122.660 119.300 0.304 0.000 2.611 195 C HA 0.031 nan 4.460 nan 0.000 0.416 195 C C 0.774 175.865 174.990 0.168 0.000 1.366 195 C CA 1.194 60.346 59.018 0.223 0.000 1.761 195 C CB 0.087 27.969 27.740 0.237 0.000 2.619 195 C HN 0.042 8.469 8.230 0.328 0.000 0.606 196 V N 2.464 122.455 119.914 0.128 0.000 3.380 196 V HA 0.090 nan 4.120 nan 0.000 0.268 196 V C 0.137 176.263 176.094 0.054 0.000 1.168 196 V CA 0.355 62.699 62.300 0.075 0.000 1.156 196 V CB -0.500 31.375 31.823 0.086 0.000 0.785 196 V HN 0.506 8.782 8.190 0.143 0.000 0.487 197 S N 1.015 116.756 115.700 0.068 0.000 2.481 197 S HA -0.034 nan 4.470 nan 0.000 0.276 197 S C 0.973 175.595 174.600 0.037 0.000 1.247 197 S CA -0.517 57.712 58.200 0.048 0.000 1.053 197 S CB 0.642 63.875 63.200 0.055 0.000 0.925 197 S HN -0.755 7.553 8.310 0.090 0.057 0.491 198 A N 8.509 131.340 122.820 0.018 0.000 1.978 198 A HA -0.193 nan 4.320 nan 0.000 0.220 198 A C 0.936 178.524 177.584 0.007 0.000 1.170 198 A CA 2.818 54.858 52.037 0.005 0.000 0.636 198 A CB -0.376 18.623 19.000 -0.002 0.000 0.810 198 A HN 0.897 9.057 8.150 0.017 0.000 0.448 199 S N -4.646 111.062 115.700 0.014 0.000 2.593 199 S HA -0.008 nan 4.470 nan 0.000 0.217 199 S C 0.549 175.162 174.600 0.021 0.000 0.966 199 S CA 1.309 59.516 58.200 0.012 0.000 0.914 199 S CB 0.292 63.499 63.200 0.012 0.000 0.776 199 S HN -0.333 7.945 8.310 0.019 0.044 0.523 200 C N 2.354 121.678 119.300 0.040 0.000 2.617 200 C HA 0.208 nan 4.460 nan 0.000 0.297 200 C C -0.770 174.268 174.990 0.079 0.000 1.689 200 C CA -0.103 58.953 59.018 0.062 0.000 2.073 200 C CB 1.260 29.058 27.740 0.098 0.000 1.751 200 C HN -0.226 7.890 8.230 0.046 0.142 0.731 201 R N -1.398 119.167 120.500 0.108 0.000 3.758 201 R HA -0.377 nan 4.340 nan 0.000 0.299 201 R C -0.933 175.515 176.300 0.247 0.000 1.182 201 R CA 0.993 57.177 56.100 0.140 0.000 0.809 201 R CB -2.849 27.476 30.300 0.041 0.000 1.249 201 R HN -0.087 8.247 8.270 0.106 0.000 0.497 202 H N -0.707 118.410 119.070 0.078 0.000 2.964 202 H HA -0.172 nan 4.556 nan 0.000 0.328 202 H C -1.577 173.660 175.328 -0.152 0.000 1.030 202 H CA -0.714 55.294 56.048 -0.066 0.000 1.445 202 H CB 1.603 31.298 29.762 -0.112 0.000 1.449 202 H HN -0.834 7.565 8.280 0.272 0.045 0.581 203 E N 6.054 126.284 120.200 0.051 0.000 2.266 203 E HA 0.260 nan 4.350 nan 0.000 0.277 203 E C -1.354 174.878 176.600 -0.613 0.000 1.018 203 E CA -1.300 54.876 56.400 -0.373 0.000 0.840 203 E CB 1.353 30.861 29.700 -0.321 0.000 1.082 203 E HN 0.193 8.622 8.360 0.115 0.000 0.395 204 Y N 3.828 123.904 120.300 -0.372 0.000 2.409 204 Y HA 0.341 nan 4.550 nan 0.000 0.343 204 Y C -2.086 173.722 175.900 -0.153 0.000 0.973 204 Y CA -2.787 55.064 58.100 -0.416 0.000 1.064 204 Y CB 2.361 40.393 38.460 -0.713 0.000 1.207 204 Y HN 0.149 8.276 8.280 -0.254 0.000 0.452 205 P HA 0.095 nan 4.420 nan 0.000 0.274 205 P C 0.284 177.690 177.300 0.176 0.000 1.237 205 P CA -0.489 62.663 63.100 0.087 0.000 0.793 205 P CB 1.324 33.072 31.700 0.081 0.000 0.977 206 L N 1.858 123.104 121.223 0.039 0.000 2.043 206 L HA -0.457 nan 4.340 nan 0.000 0.212 206 L C 1.550 178.525 176.870 0.175 0.000 1.075 206 L CA 3.524 58.392 54.840 0.047 0.000 0.752 206 L CB -0.676 41.209 42.059 -0.290 0.000 0.891 206 L HN 0.563 8.752 8.230 -0.069 0.000 0.432 207 S N -1.753 114.029 115.700 0.137 0.000 2.368 207 S HA -0.296 nan 4.470 nan 0.000 0.225 207 S C 1.929 176.651 174.600 0.203 0.000 1.030 207 S CA 2.960 61.246 58.200 0.144 0.000 0.999 207 S CB -1.241 62.027 63.200 0.112 0.000 0.844 207 S HN 0.021 8.376 8.310 0.093 0.011 0.459 208 W N 2.573 123.916 121.300 0.071 0.000 2.355 208 W HA -0.260 nan 4.660 nan 0.000 0.309 208 W C 1.420 177.966 176.519 0.044 0.000 1.206 208 W CA 3.733 61.119 57.345 0.068 0.000 1.284 208 W CB 0.198 29.736 29.460 0.129 0.000 1.145 208 W HN -0.705 7.708 8.180 0.410 0.013 0.502 209 M N -2.156 117.721 119.600 0.462 0.000 2.132 209 M HA -0.456 nan 4.480 nan 0.000 0.263 209 M C 2.168 178.493 176.300 0.042 0.000 1.065 209 M CA 2.150 57.622 55.300 0.287 0.000 1.122 209 M CB -1.056 31.842 32.600 0.496 0.000 1.365 209 M HN -0.372 8.259 8.290 0.569 0.000 0.411 210 K N 0.185 120.677 120.400 0.152 0.000 2.063 210 K HA -0.410 nan 4.320 nan 0.000 0.208 210 K C 2.247 178.874 176.600 0.045 0.000 1.048 210 K CA 3.848 60.202 56.287 0.110 0.000 0.928 210 K CB -0.195 32.412 32.500 0.178 0.000 0.713 210 K HN 0.229 8.633 8.250 0.257 0.000 0.442 211 E N -1.382 118.783 120.200 -0.059 0.000 2.110 211 E HA -0.302 nan 4.350 nan 0.000 0.193 211 E C 2.523 178.986 176.600 -0.229 0.000 0.988 211 E CA 2.879 59.200 56.400 -0.132 0.000 0.804 211 E CB -0.385 29.201 29.700 -0.190 0.000 0.745 211 E HN -0.425 7.908 8.360 -0.037 0.005 0.458 212 K N -1.053 119.111 120.400 -0.393 0.000 2.007 212 K HA -0.183 nan 4.320 nan 0.000 0.206 212 K C 2.685 179.062 176.600 -0.372 0.000 1.047 212 K CA 1.948 57.955 56.287 -0.467 0.000 0.937 212 K CB -0.319 31.767 32.500 -0.689 0.000 0.718 212 K HN -0.599 7.310 8.250 -0.444 0.074 0.438 213 I N -0.604 119.747 120.570 -0.366 0.000 2.226 213 I HA -0.415 nan 4.170 nan 0.000 0.245 213 I C 2.689 178.500 176.117 -0.511 0.000 1.100 213 I CA 3.962 64.981 61.300 -0.469 0.000 1.374 213 I CB 0.193 37.860 38.000 -0.554 0.000 1.057 213 I HN 0.150 8.163 8.210 -0.327 0.000 0.413 214 F N -3.730 116.068 119.950 -0.252 0.000 2.797 214 F HA -0.082 nan 4.527 nan 0.000 0.302 214 F C 0.209 175.919 175.800 -0.150 0.000 1.130 214 F CA 1.041 58.936 58.000 -0.174 0.000 1.387 214 F CB -0.598 38.314 39.000 -0.146 0.000 1.107 214 F HN -0.190 8.174 8.300 0.107 0.000 0.577 215 S N -2.370 113.271 115.700 -0.099 0.000 2.557 215 S HA 0.067 nan 4.470 nan 0.000 0.223 215 S C -0.327 174.187 174.600 -0.142 0.000 0.969 215 S CA -0.434 57.701 58.200 -0.108 0.000 0.927 215 S CB 0.860 63.976 63.200 -0.139 0.000 0.806 215 S HN -0.551 7.444 8.310 -0.166 0.215 0.489 216 E N -1.760 118.329 120.200 -0.186 0.000 2.513 216 E HA -0.406 nan 4.350 nan 0.000 0.257 216 E C -0.873 175.616 176.600 -0.184 0.000 1.098 216 E CA 1.182 57.475 56.400 -0.178 0.000 0.752 216 E CB -1.814 27.818 29.700 -0.113 0.000 1.324 216 E HN -0.478 7.560 8.360 -0.228 0.185 0.403 217 V N -1.227 118.538 119.914 -0.249 0.000 2.495 217 V HA 0.179 nan 4.120 nan 0.000 0.298 217 V C -0.285 175.590 176.094 -0.365 0.000 1.031 217 V CA -0.925 61.219 62.300 -0.260 0.000 0.871 217 V CB 1.655 33.319 31.823 -0.264 0.000 0.988 217 V HN -0.422 7.580 8.190 -0.288 0.016 0.432 218 T N 8.211 122.577 114.554 -0.314 0.000 2.752 218 T HA 0.296 nan 4.350 nan 0.000 0.295 218 T C -1.741 172.750 174.700 -0.349 0.000 0.923 218 T CA -1.663 60.197 62.100 -0.400 0.000 1.112 218 T CB -0.384 68.364 68.868 -0.200 0.000 0.884 218 T HN 0.130 8.235 8.240 -0.224 0.000 0.525 219 P HA -0.009 nan 4.420 nan 0.000 0.267 219 P C -1.402 175.874 177.300 -0.039 0.000 1.209 219 P CA -0.308 62.651 63.100 -0.236 0.000 0.763 219 P CB 0.606 32.221 31.700 -0.142 0.000 0.816 220 K N 3.382 123.781 120.400 -0.002 0.000 2.259 220 K HA 0.466 nan 4.320 nan 0.000 0.252 220 K C -0.858 175.764 176.600 0.036 0.000 0.936 220 K CA -2.178 54.122 56.287 0.023 0.000 0.810 220 K CB 2.329 34.827 32.500 -0.002 0.000 1.143 220 K HN -0.017 8.224 8.250 -0.015 0.000 0.427 221 C N 5.326 124.616 119.300 -0.016 0.000 2.648 221 C HA -0.081 nan 4.460 nan 0.000 0.419 221 C C 1.674 176.707 174.990 0.071 0.000 1.352 221 C CA -0.219 58.774 59.018 -0.042 0.000 1.816 221 C CB 0.679 28.472 27.740 0.087 0.000 2.598 221 C HN 0.622 8.763 8.230 0.015 0.099 0.598 222 E N 7.938 128.217 120.200 0.132 0.000 2.347 222 E HA -0.271 nan 4.350 nan 0.000 0.196 222 E C 0.066 176.764 176.600 0.164 0.000 1.008 222 E CA 2.160 58.664 56.400 0.173 0.000 0.852 222 E CB 0.103 29.941 29.700 0.230 0.000 0.783 222 E HN 0.625 9.085 8.360 0.166 0.000 0.505 223 D N -1.827 118.691 120.400 0.197 0.000 2.323 223 D HA 0.023 nan 4.640 nan 0.000 0.218 223 D C 0.313 176.678 176.300 0.109 0.000 0.973 223 D CA 1.620 55.713 54.000 0.155 0.000 0.890 223 D CB 1.009 41.922 40.800 0.189 0.000 1.011 223 D HN -0.221 8.248 8.370 0.247 0.049 0.499 224 C N -4.120 115.248 119.300 0.113 0.000 3.392 224 C HA 0.480 nan 4.460 nan 0.000 0.301 224 C C -0.062 174.963 174.990 0.059 0.000 1.354 224 C CA -1.217 57.849 59.018 0.079 0.000 1.732 224 C CB 1.538 29.330 27.740 0.086 0.000 2.269 224 C HN -0.692 7.505 8.230 0.116 0.103 0.673 225 Q N -3.496 116.340 119.800 0.060 0.000 2.305 225 Q HA -0.470 nan 4.340 nan 0.000 0.203 225 Q C -0.954 175.063 176.000 0.029 0.000 0.663 225 Q CA 1.085 56.911 55.803 0.038 0.000 1.389 225 Q CB -2.694 26.059 28.738 0.025 0.000 1.566 225 Q HN 0.271 8.493 8.270 0.077 0.094 0.755 226 S N -2.040 113.686 115.700 0.043 0.000 2.624 226 S HA 0.011 nan 4.470 nan 0.000 0.263 226 S C -0.329 174.302 174.600 0.052 0.000 1.287 226 S CA 0.239 58.464 58.200 0.041 0.000 0.990 226 S CB 0.939 64.174 63.200 0.058 0.000 0.950 226 S HN -0.109 8.167 8.310 0.058 0.068 0.561 227 L N 0.009 121.270 121.223 0.062 0.000 2.461 227 L HA 0.064 nan 4.340 nan 0.000 0.272 227 L C -0.987 175.995 176.870 0.186 0.000 1.197 227 L CA 1.030 55.940 54.840 0.118 0.000 0.836 227 L CB 0.282 42.419 42.059 0.129 0.000 1.105 227 L HN 0.054 8.311 8.230 0.045 0.000 0.477 228 V N 2.477 122.532 119.914 0.235 0.000 2.417 228 V HA 0.431 nan 4.120 nan 0.000 0.291 228 V C -1.327 175.025 176.094 0.430 0.000 1.024 228 V CA -1.110 61.334 62.300 0.240 0.000 0.861 228 V CB 0.604 32.486 31.823 0.099 0.000 0.985 228 V HN 0.063 8.399 8.190 0.244 0.000 0.436 229 K N 5.762 126.350 120.400 0.313 0.000 2.375 229 K HA 0.691 nan 4.320 nan 0.000 0.249 229 K C -2.687 174.026 176.600 0.188 0.000 0.942 229 K CA -3.515 52.917 56.287 0.242 0.000 0.806 229 K CB 1.996 34.302 32.500 -0.325 0.000 1.227 229 K HN 0.775 9.161 8.250 0.226 0.000 0.430 230 P HA -0.119 nan 4.420 nan 0.000 0.269 230 P C -0.526 176.816 177.300 0.069 0.000 1.217 230 P CA -0.022 63.252 63.100 0.290 0.000 0.783 230 P CB 0.355 32.357 31.700 0.504 0.000 0.898 231 D N 1.384 121.844 120.400 0.100 0.000 2.652 231 D HA 0.046 nan 4.640 nan 0.000 0.247 231 D C -0.541 175.746 176.300 -0.022 0.000 1.232 231 D CA 0.030 54.061 54.000 0.051 0.000 0.863 231 D CB -1.346 39.536 40.800 0.137 0.000 1.023 231 D HN 0.235 8.708 8.370 0.171 0.000 0.474 232 I N 0.001 120.516 120.570 -0.091 0.000 2.529 232 I HA -0.062 nan 4.170 nan 0.000 0.284 232 I C -0.320 175.842 176.117 0.075 0.000 1.082 232 I CA -0.959 60.300 61.300 -0.068 0.000 1.406 232 I CB 0.382 38.311 38.000 -0.117 0.000 1.405 232 I HN -0.599 7.457 8.210 -0.123 0.081 0.548 233 V N 8.171 128.120 119.914 0.058 0.000 2.372 233 V HA -0.050 nan 4.120 nan 0.000 0.261 233 V C -0.489 175.647 176.094 0.070 0.000 1.055 233 V CA 0.041 62.377 62.300 0.061 0.000 0.930 233 V CB -1.376 30.461 31.823 0.024 0.000 1.031 233 V HN 0.347 8.430 8.190 0.036 0.128 0.479 234 F N 6.423 126.236 119.950 -0.227 0.000 2.378 234 F HA 0.257 nan 4.527 nan 0.000 0.319 234 F C 0.598 176.307 175.800 -0.153 0.000 1.155 234 F CA -2.598 55.276 58.000 -0.211 0.000 1.157 234 F CB 1.527 40.427 39.000 -0.166 0.000 1.252 234 F HN 0.502 9.374 8.300 0.310 -0.386 0.550 235 F N 0.352 120.408 119.950 0.177 0.000 2.572 235 F HA -0.174 nan 4.527 nan 0.000 0.370 235 F C 1.088 176.985 175.800 0.161 0.000 1.103 235 F CA 2.394 60.475 58.000 0.136 0.000 1.286 235 F CB 0.042 39.123 39.000 0.134 0.000 1.105 235 F HN 0.640 8.941 8.300 0.002 0.000 0.583 236 G N 1.371 110.344 108.800 0.289 0.000 2.194 236 G HA2 -0.357 nan 3.960 nan 0.000 0.236 236 G HA3 -0.357 nan 3.960 nan 0.000 0.236 236 G C -0.833 174.136 174.900 0.116 0.000 0.987 236 G CA -0.163 45.052 45.100 0.192 0.000 0.635 236 G HN 0.335 8.788 8.290 0.272 0.000 0.520 237 E N -0.149 120.109 120.200 0.097 0.000 2.316 237 E HA 0.331 nan 4.350 nan 0.000 0.258 237 E C -1.353 175.260 176.600 0.023 0.000 0.952 237 E CA -1.193 55.227 56.400 0.033 0.000 0.818 237 E CB 2.090 31.791 29.700 0.001 0.000 1.260 237 E HN -0.230 8.133 8.360 0.125 0.071 0.416 238 S N -0.516 115.182 115.700 -0.004 0.000 2.671 238 S HA 0.213 nan 4.470 nan 0.000 0.299 238 S C -0.990 173.601 174.600 -0.014 0.000 1.116 238 S CA -0.589 57.607 58.200 -0.006 0.000 0.912 238 S CB 1.228 64.419 63.200 -0.015 0.000 1.130 238 S HN -0.058 8.240 8.310 -0.020 0.000 0.501 239 L N 1.230 122.457 121.223 0.007 0.000 2.516 239 L HA 0.047 nan 4.340 nan 0.000 0.288 239 L C 0.346 177.183 176.870 -0.055 0.000 1.246 239 L CA -0.301 54.557 54.840 0.030 0.000 0.844 239 L CB -0.549 41.589 42.059 0.131 0.000 1.106 239 L HN 0.262 8.497 8.230 0.008 0.000 0.509 240 P HA -0.204 nan 4.420 nan 0.000 0.228 240 P C -0.091 177.087 177.300 -0.204 0.000 1.151 240 P CA 0.798 63.747 63.100 -0.252 0.000 0.770 240 P CB 0.039 31.468 31.700 -0.451 0.000 0.786 241 A N -2.319 120.428 122.820 -0.122 0.000 1.760 241 A HA -0.400 nan 4.320 nan 0.000 0.219 241 A C 1.339 178.922 177.584 -0.002 0.000 0.582 241 A CA 1.255 53.276 52.037 -0.027 0.000 1.165 241 A CB -1.453 17.522 19.000 -0.042 0.000 1.428 241 A HN -0.007 8.036 8.150 -0.052 0.076 0.712 242 R N 0.264 120.687 120.500 -0.128 0.000 2.140 242 R HA -0.361 nan 4.340 nan 0.000 0.250 242 R C 1.115 177.481 176.300 0.111 0.000 1.150 242 R CA 2.470 58.522 56.100 -0.080 0.000 0.966 242 R CB -0.456 29.710 30.300 -0.223 0.000 0.869 242 R HN -0.280 7.774 8.270 -0.189 0.103 0.445 243 F N -3.114 116.887 119.950 0.084 0.000 1.979 243 F HA -0.212 nan 4.527 nan 0.000 0.295 243 F C 1.970 177.886 175.800 0.192 0.000 1.222 243 F CA 0.818 58.890 58.000 0.120 0.000 1.165 243 F CB -0.975 38.112 39.000 0.145 0.000 0.968 243 F HN -0.747 7.512 8.300 -0.097 -0.017 0.493 244 F N -1.103 119.038 119.950 0.317 0.000 2.085 244 F HA -0.638 nan 4.527 nan 0.000 0.293 244 F C 1.478 177.383 175.800 0.175 0.000 1.062 244 F CA 3.614 61.740 58.000 0.210 0.000 1.267 244 F CB -0.353 38.733 39.000 0.142 0.000 1.001 244 F HN 0.110 8.750 8.300 0.567 0.000 0.492 245 S N -0.852 114.935 115.700 0.145 0.000 2.377 245 S HA -0.463 nan 4.470 nan 0.000 0.224 245 S C 2.179 176.768 174.600 -0.020 0.000 1.042 245 S CA 4.320 62.533 58.200 0.021 0.000 1.086 245 S CB -0.248 63.002 63.200 0.083 0.000 0.995 245 S HN -0.203 8.195 8.310 0.276 0.078 0.428 246 C N -2.529 116.810 119.300 0.065 0.000 2.481 246 C HA 0.059 nan 4.460 nan 0.000 0.275 246 C C 1.711 176.784 174.990 0.139 0.000 1.419 246 C CA 1.055 60.116 59.018 0.071 0.000 1.773 246 C CB -1.632 26.149 27.740 0.070 0.000 1.862 246 C HN 0.838 9.053 8.230 0.161 0.111 0.530 247 M N 1.254 120.954 119.600 0.165 0.000 2.374 247 M HA -0.460 nan 4.480 nan 0.000 0.264 247 M C 1.580 177.933 176.300 0.089 0.000 1.067 247 M CA 3.571 59.030 55.300 0.265 0.000 1.103 247 M CB -0.546 32.209 32.600 0.257 0.000 1.402 247 M HN -0.536 7.880 8.290 0.209 0.000 0.444 248 Q N -2.738 116.988 119.800 -0.123 0.000 2.392 248 Q HA -0.097 nan 4.340 nan 0.000 0.203 248 Q C 0.501 176.476 176.000 -0.042 0.000 0.917 248 Q CA 1.751 57.451 55.803 -0.171 0.000 0.939 248 Q CB 0.415 28.903 28.738 -0.417 0.000 1.063 248 Q HN -0.359 7.769 8.270 -0.215 0.012 0.516 249 S N -1.180 114.525 115.700 0.008 0.000 2.619 249 S HA 0.144 nan 4.470 nan 0.000 0.238 249 S C 1.818 176.425 174.600 0.012 0.000 1.068 249 S CA 1.268 59.474 58.200 0.011 0.000 0.926 249 S CB 2.445 65.640 63.200 -0.009 0.000 0.864 249 S HN -0.504 7.636 8.310 0.018 0.180 0.493 250 D N 4.149 124.558 120.400 0.014 0.000 2.123 250 D HA -0.209 nan 4.640 nan 0.000 0.196 250 D C 1.914 178.039 176.300 -0.291 0.000 0.992 250 D CA 3.379 57.298 54.000 -0.135 0.000 0.833 250 D CB -0.294 40.400 40.800 -0.178 0.000 0.954 250 D HN 0.598 8.898 8.370 0.073 0.114 0.455 251 F N -3.691 116.224 119.950 -0.058 0.000 2.748 251 F HA -0.017 nan 4.527 nan 0.000 0.299 251 F C 1.292 177.065 175.800 -0.044 0.000 1.154 251 F CA 1.534 59.490 58.000 -0.074 0.000 1.446 251 F CB -0.062 38.870 39.000 -0.114 0.000 1.112 251 F HN -0.278 8.180 8.300 0.263 0.000 0.584 252 L N -2.123 119.142 121.223 0.070 0.000 2.179 252 L HA -0.196 nan 4.340 nan 0.000 0.208 252 L C 0.815 177.692 176.870 0.013 0.000 1.096 252 L CA 2.186 57.051 54.840 0.042 0.000 0.779 252 L CB -0.018 42.057 42.059 0.027 0.000 0.922 252 L HN -0.506 7.588 8.230 0.056 0.170 0.443 253 K N -4.830 115.558 120.400 -0.019 0.000 2.373 253 K HA 0.071 nan 4.320 nan 0.000 0.202 253 K C -0.425 176.151 176.600 -0.040 0.000 1.025 253 K CA -0.542 55.730 56.287 -0.026 0.000 1.115 253 K CB 0.285 32.766 32.500 -0.032 0.000 0.858 253 K HN -0.706 7.484 8.250 -0.037 0.037 0.525 254 V N 2.065 121.941 119.914 -0.063 0.000 2.614 254 V HA 0.002 nan 4.120 nan 0.000 0.291 254 V C -0.532 175.565 176.094 0.006 0.000 1.049 254 V CA 0.265 62.523 62.300 -0.071 0.000 1.038 254 V CB 1.127 32.850 31.823 -0.167 0.000 0.980 254 V HN -0.766 7.336 8.190 -0.055 0.054 0.481 255 D N 7.905 128.326 120.400 0.036 0.000 2.366 255 D HA 0.312 nan 4.640 nan 0.000 0.205 255 D C -0.984 175.451 176.300 0.226 0.000 1.022 255 D CA 2.166 56.244 54.000 0.130 0.000 0.868 255 D CB 1.840 42.696 40.800 0.093 0.000 0.953 255 D HN 0.471 8.846 8.370 0.008 0.000 0.514 256 L N -2.150 119.155 121.223 0.138 0.000 2.592 256 L HA 0.420 nan 4.340 nan 0.000 0.258 256 L C -2.949 173.961 176.870 0.066 0.000 0.926 256 L CA 0.592 55.520 54.840 0.147 0.000 0.885 256 L CB 3.557 45.763 42.059 0.245 0.000 1.380 256 L HN -0.796 7.474 8.230 0.067 0.000 0.415 257 L N 4.137 125.391 121.223 0.051 0.000 2.296 257 L HA 0.692 nan 4.340 nan 0.000 0.286 257 L C -1.441 175.466 176.870 0.063 0.000 1.023 257 L CA -1.029 53.839 54.840 0.046 0.000 0.812 257 L CB 1.878 43.970 42.059 0.055 0.000 1.223 257 L HN 0.267 8.521 8.230 0.040 0.000 0.421 258 L N 3.603 124.869 121.223 0.072 0.000 2.295 258 L HA 0.552 nan 4.340 nan 0.000 0.281 258 L C -1.275 175.639 176.870 0.073 0.000 1.018 258 L CA -0.967 53.920 54.840 0.079 0.000 0.841 258 L CB 0.683 42.809 42.059 0.111 0.000 1.218 258 L HN 0.724 8.994 8.230 0.066 0.000 0.424 259 V N 5.822 125.781 119.914 0.075 0.000 2.333 259 V HA 0.489 nan 4.120 nan 0.000 0.274 259 V C -1.295 174.840 176.094 0.067 0.000 1.028 259 V CA -0.691 61.658 62.300 0.082 0.000 0.851 259 V CB 0.130 32.014 31.823 0.102 0.000 1.000 259 V HN 1.132 9.369 8.190 0.079 0.000 0.456 260 M N 6.132 125.765 119.600 0.055 0.000 2.259 260 M HA 0.489 nan 4.480 nan 0.000 0.304 260 M C 0.347 176.669 176.300 0.037 0.000 1.019 260 M CA -1.266 54.052 55.300 0.030 0.000 0.922 260 M CB 3.197 35.791 32.600 -0.010 0.000 1.600 260 M HN 0.782 9.109 8.290 0.063 0.000 0.433 261 G N 1.881 110.704 108.800 0.039 0.000 2.179 261 G HA2 -0.492 nan 3.960 nan 0.000 0.257 261 G HA3 -0.492 nan 3.960 nan 0.000 0.257 261 G C -1.733 173.202 174.900 0.059 0.000 1.010 261 G CA 0.946 46.071 45.100 0.043 0.000 0.736 261 G HN 0.643 8.958 8.290 0.042 0.000 0.513 262 T N -3.362 111.233 114.554 0.068 0.000 2.661 262 T HA 0.231 nan 4.350 nan 0.000 0.305 262 T C -2.337 172.413 174.700 0.083 0.000 1.441 262 T CA -1.018 61.131 62.100 0.082 0.000 0.999 262 T CB 2.833 71.767 68.868 0.110 0.000 1.650 262 T HN -0.410 7.831 8.240 0.065 0.038 0.489 263 S N -0.648 115.106 115.700 0.090 0.000 2.568 263 S HA 0.347 nan 4.470 nan 0.000 0.293 263 S C 0.931 175.588 174.600 0.095 0.000 1.089 263 S CA -2.131 56.126 58.200 0.095 0.000 0.945 263 S CB 1.500 64.749 63.200 0.082 0.000 1.077 263 S HN 0.142 8.506 8.310 0.091 0.000 0.485 264 L N 5.151 126.430 121.223 0.094 0.000 2.265 264 L HA -0.198 nan 4.340 nan 0.000 0.215 264 L C 0.407 177.302 176.870 0.042 0.000 1.117 264 L CA 2.070 56.946 54.840 0.060 0.000 0.782 264 L CB -0.162 41.918 42.059 0.035 0.000 0.914 264 L HN 0.549 8.851 8.230 0.120 0.000 0.441 265 Q N -3.138 116.694 119.800 0.053 0.000 2.297 265 Q HA -0.167 nan 4.340 nan 0.000 0.204 265 Q C 0.547 176.569 176.000 0.036 0.000 0.962 265 Q CA 0.872 56.699 55.803 0.040 0.000 0.879 265 Q CB 0.806 29.575 28.738 0.051 0.000 0.947 265 Q HN -0.691 7.580 8.270 0.072 0.043 0.462 266 V N 1.104 121.046 119.914 0.046 0.000 2.614 266 V HA 0.028 nan 4.120 nan 0.000 0.291 266 V C -0.929 175.167 176.094 0.004 0.000 1.049 266 V CA -0.271 62.049 62.300 0.033 0.000 1.038 266 V CB 0.857 32.709 31.823 0.048 0.000 0.980 266 V HN -0.664 7.456 8.190 0.060 0.105 0.481 267 Q N 7.465 127.247 119.800 -0.029 0.000 2.256 267 Q HA 0.308 nan 4.340 nan 0.000 0.232 267 Q C -1.329 174.542 176.000 -0.216 0.000 0.965 267 Q CA -2.265 53.484 55.803 -0.089 0.000 0.908 267 Q CB -0.346 28.358 28.738 -0.056 0.000 1.209 267 Q HN 0.270 8.533 8.270 -0.012 0.000 0.489 268 P HA 0.147 nan 4.420 nan 0.000 0.245 268 P C 0.401 177.584 177.300 -0.196 0.000 1.206 268 P CA 0.781 63.706 63.100 -0.292 0.000 0.781 268 P CB 0.428 31.923 31.700 -0.343 0.000 0.994 269 F N 0.329 120.243 119.950 -0.061 0.000 2.407 269 F HA -0.144 nan 4.527 nan 0.000 0.299 269 F C 1.319 177.007 175.800 -0.186 0.000 1.097 269 F CA 0.627 58.552 58.000 -0.125 0.000 1.422 269 F CB -1.751 37.197 39.000 -0.088 0.000 1.067 269 F HN -0.244 7.670 8.300 -0.566 0.047 0.539 270 A N -0.606 122.234 122.820 0.034 0.000 2.032 270 A HA -0.358 nan 4.320 nan 0.000 0.221 270 A C 1.894 179.434 177.584 -0.074 0.000 1.165 270 A CA 3.056 55.079 52.037 -0.023 0.000 0.645 270 A CB -1.236 17.760 19.000 -0.008 0.000 0.807 270 A HN -0.188 7.924 8.150 0.018 0.048 0.453 271 S N -1.866 113.797 115.700 -0.063 0.000 2.383 271 S HA -0.219 nan 4.470 nan 0.000 0.227 271 S C 1.926 176.437 174.600 -0.148 0.000 1.026 271 S CA 3.494 61.653 58.200 -0.070 0.000 0.981 271 S CB -0.182 63.006 63.200 -0.020 0.000 0.818 271 S HN -0.596 7.766 8.310 -0.035 -0.073 0.472 272 L N 0.592 121.655 121.223 -0.266 0.000 2.209 272 L HA -0.167 nan 4.340 nan 0.000 0.207 272 L C 2.104 178.494 176.870 -0.800 0.000 1.094 272 L CA 2.117 56.621 54.840 -0.561 0.000 0.790 272 L CB -0.228 41.325 42.059 -0.843 0.000 0.932 272 L HN -0.492 7.494 8.230 -0.185 0.134 0.447 273 I N 0.334 120.528 120.570 -0.626 0.000 2.151 273 I HA -0.617 nan 4.170 nan 0.000 0.243 273 I C 2.092 178.077 176.117 -0.220 0.000 1.080 273 I CA 4.148 65.203 61.300 -0.409 0.000 1.339 273 I CB -0.613 37.267 38.000 -0.199 0.000 1.039 273 I HN -0.195 7.747 8.210 -0.446 0.000 0.409 274 S N -0.287 115.309 115.700 -0.172 0.000 2.493 274 S HA -0.234 nan 4.470 nan 0.000 0.243 274 S C 0.953 175.507 174.600 -0.077 0.000 0.991 274 S CA 2.816 60.957 58.200 -0.098 0.000 0.957 274 S CB -0.562 62.591 63.200 -0.079 0.000 0.756 274 S HN -0.171 8.028 8.310 -0.185 0.000 0.521 275 K N -0.215 120.117 120.400 -0.114 0.000 2.365 275 K HA -0.032 nan 4.320 nan 0.000 0.197 275 K C -0.149 176.475 176.600 0.039 0.000 1.042 275 K CA -0.137 56.125 56.287 -0.041 0.000 0.987 275 K CB 0.533 32.999 32.500 -0.056 0.000 0.779 275 K HN -0.260 7.691 8.250 -0.210 0.174 0.484 276 A N 1.587 124.449 122.820 0.071 0.000 2.407 276 A HA 0.171 nan 4.320 nan 0.000 0.248 276 A C -1.890 175.732 177.584 0.063 0.000 1.082 276 A CA -2.390 49.723 52.037 0.127 0.000 0.785 276 A CB -0.975 18.138 19.000 0.189 0.000 1.020 276 A HN -0.431 7.561 8.150 0.002 0.159 0.489 277 P HA -0.064 nan 4.420 nan 0.000 0.266 277 P C 0.857 178.189 177.300 0.053 0.000 1.193 277 P CA -0.092 63.036 63.100 0.047 0.000 0.770 277 P CB 0.582 32.310 31.700 0.047 0.000 0.836 278 L N 0.805 122.065 121.223 0.062 0.000 2.353 278 L HA -0.257 nan 4.340 nan 0.000 0.220 278 L C 0.973 177.953 176.870 0.185 0.000 1.133 278 L CA 2.456 57.363 54.840 0.112 0.000 0.798 278 L CB -0.470 41.652 42.059 0.105 0.000 0.922 278 L HN 0.462 8.720 8.230 0.048 0.000 0.445 279 S N -3.601 112.173 115.700 0.124 0.000 2.558 279 S HA -0.008 nan 4.470 nan 0.000 0.217 279 S C -0.141 174.487 174.600 0.047 0.000 0.975 279 S CA 0.415 58.694 58.200 0.131 0.000 0.912 279 S CB 0.278 63.529 63.200 0.083 0.000 0.776 279 S HN -0.296 8.013 8.310 0.083 0.051 0.526 280 T N 6.840 121.408 114.554 0.023 0.000 2.784 280 T HA 0.236 nan 4.350 nan 0.000 0.291 280 T C -1.983 172.660 174.700 -0.095 0.000 0.942 280 T CA -0.369 61.724 62.100 -0.012 0.000 1.161 280 T CB -0.352 68.529 68.868 0.021 0.000 0.885 280 T HN -0.640 7.452 8.240 0.043 0.173 0.534 281 P HA 0.264 nan 4.420 nan 0.000 0.271 281 P C -1.731 175.493 177.300 -0.128 0.000 1.218 281 P CA 0.030 62.986 63.100 -0.241 0.000 0.780 281 P CB 0.552 31.985 31.700 -0.445 0.000 0.901 282 R N -0.510 119.920 120.500 -0.117 0.000 2.538 282 R HA 0.785 nan 4.340 nan 0.000 0.292 282 R C -1.883 174.430 176.300 0.022 0.000 1.008 282 R CA -0.930 55.146 56.100 -0.039 0.000 0.896 282 R CB 3.653 33.912 30.300 -0.068 0.000 1.187 282 R HN 0.558 8.731 8.270 -0.160 0.000 0.440 283 L N 4.119 125.381 121.223 0.065 0.000 2.313 283 L HA 0.829 nan 4.340 nan 0.000 0.283 283 L C -2.697 174.251 176.870 0.130 0.000 1.013 283 L CA -1.581 53.322 54.840 0.104 0.000 0.816 283 L CB 3.264 45.360 42.059 0.061 0.000 1.236 283 L HN 0.642 8.906 8.230 0.056 0.000 0.419 284 L N 7.305 128.637 121.223 0.182 0.000 2.272 284 L HA 0.743 nan 4.340 nan 0.000 0.289 284 L C -2.366 174.566 176.870 0.103 0.000 1.032 284 L CA -1.063 53.859 54.840 0.137 0.000 0.810 284 L CB 2.476 44.610 42.059 0.126 0.000 1.205 284 L HN 0.981 9.239 8.230 0.223 0.106 0.422 285 I N 7.599 128.223 120.570 0.090 0.000 2.382 285 I HA 0.464 nan 4.170 nan 0.000 0.285 285 I C -2.238 173.944 176.117 0.108 0.000 1.007 285 I CA -0.749 60.633 61.300 0.136 0.000 1.142 285 I CB 0.846 38.857 38.000 0.018 0.000 1.289 285 I HN 1.016 9.268 8.210 0.070 0.000 0.453 286 N N 5.484 124.255 118.700 0.119 0.000 3.127 286 N HA 0.179 nan 4.740 nan 0.000 0.239 286 N C 0.018 175.543 175.510 0.024 0.000 1.407 286 N CA -0.398 52.688 53.050 0.060 0.000 0.891 286 N CB 3.217 41.720 38.487 0.026 0.000 1.447 286 N HN -0.229 8.245 8.380 0.155 0.000 0.507 287 K N 1.256 121.661 120.400 0.008 0.000 2.148 287 K HA -0.196 nan 4.320 nan 0.000 0.204 287 K C -0.769 175.791 176.600 -0.067 0.000 1.050 287 K CA 3.122 59.391 56.287 -0.029 0.000 0.942 287 K CB 0.448 32.938 32.500 -0.016 0.000 0.724 287 K HN 0.607 8.869 8.250 0.019 0.000 0.446 288 E N -5.108 115.057 120.200 -0.058 0.000 2.433 288 E HA 0.246 nan 4.350 nan 0.000 0.278 288 E C -2.055 174.494 176.600 -0.085 0.000 0.976 288 E CA -1.529 54.824 56.400 -0.079 0.000 0.793 288 E CB 3.896 33.565 29.700 -0.052 0.000 1.311 288 E HN -0.608 7.715 8.360 -0.034 0.016 0.460 289 K N -1.774 118.560 120.400 -0.111 0.000 2.235 289 K HA 0.293 nan 4.320 nan 0.000 0.266 289 K C -0.807 175.776 176.600 -0.028 0.000 0.980 289 K CA -1.028 55.198 56.287 -0.102 0.000 0.849 289 K CB 0.583 32.940 32.500 -0.238 0.000 1.098 289 K HN 0.178 8.363 8.250 -0.108 0.000 0.445 290 A N 3.961 126.790 122.820 0.014 0.000 2.598 290 A HA -0.143 nan 4.320 nan 0.000 0.239 290 A C -0.156 177.448 177.584 0.034 0.000 1.032 290 A CA 1.015 53.069 52.037 0.030 0.000 0.760 290 A CB 0.316 19.345 19.000 0.049 0.000 0.946 290 A HN 0.464 8.628 8.150 0.023 0.000 0.512 291 G N 0.397 109.212 108.800 0.024 0.000 2.356 291 G HA2 0.097 nan 3.960 nan 0.000 0.322 291 G HA3 0.097 nan 3.960 nan 0.000 0.322 291 G C -0.881 174.037 174.900 0.030 0.000 1.125 291 G CA -0.558 44.557 45.100 0.025 0.000 0.885 291 G HN -0.096 8.205 8.290 0.020 0.000 0.467 292 Q N 3.815 123.635 119.800 0.034 0.000 2.398 292 Q HA -0.184 nan 4.340 nan 0.000 0.329 292 Q C -0.910 175.110 176.000 0.032 0.000 1.079 292 Q CA 0.848 56.672 55.803 0.035 0.000 1.041 292 Q CB 0.104 28.863 28.738 0.034 0.000 1.084 292 Q HN 0.155 8.447 8.270 0.035 0.000 0.386 293 S N 4.408 120.129 115.700 0.036 0.000 3.039 293 S HA 0.008 nan 4.470 nan 0.000 0.251 293 S C -0.510 174.114 174.600 0.041 0.000 1.064 293 S CA 0.742 58.962 58.200 0.034 0.000 0.822 293 S CB 1.087 64.306 63.200 0.032 0.000 0.802 293 S HN 0.217 8.551 8.310 0.041 0.000 0.519 294 D N 2.580 123.012 120.400 0.053 0.000 2.441 294 D HA 0.460 nan 4.640 nan 0.000 0.231 294 D C -1.118 175.240 176.300 0.097 0.000 1.073 294 D CA -2.661 51.383 54.000 0.074 0.000 0.850 294 D CB 2.186 43.035 40.800 0.082 0.000 1.062 294 D HN -0.327 8.074 8.370 0.052 0.000 0.524 295 P HA -0.142 nan 4.420 nan 0.000 0.221 295 P C 0.850 178.227 177.300 0.128 0.000 1.150 295 P CA 1.199 64.354 63.100 0.092 0.000 0.800 295 P CB 0.341 32.087 31.700 0.077 0.000 0.787 296 F N 0.248 120.200 119.950 0.004 0.000 2.113 296 F HA -0.295 nan 4.527 nan 0.000 0.297 296 F C 1.261 177.062 175.800 0.002 0.000 1.103 296 F CA 3.938 61.939 58.000 0.003 0.000 1.248 296 F CB 0.191 39.193 39.000 0.003 0.000 0.999 296 F HN -0.507 8.070 8.300 0.288 -0.104 0.475 297 L N -2.435 118.958 121.223 0.283 0.000 2.191 297 L HA -0.312 nan 4.340 nan 0.000 0.212 297 L C 2.455 179.346 176.870 0.034 0.000 1.103 297 L CA 2.456 57.381 54.840 0.142 0.000 0.769 297 L CB -0.974 41.169 42.059 0.139 0.000 0.908 297 L HN -0.101 8.661 8.230 0.323 -0.338 0.438 298 G N -1.299 107.524 108.800 0.038 0.000 2.418 298 G HA2 -0.360 nan 3.960 nan 0.000 0.217 298 G HA3 -0.360 nan 3.960 nan 0.000 0.217 298 G C 1.115 175.997 174.900 -0.030 0.000 1.158 298 G CA 2.089 47.194 45.100 0.009 0.000 0.771 298 G HN -0.059 8.142 8.290 0.075 0.134 0.545 299 M N 2.075 121.636 119.600 -0.066 0.000 2.159 299 M HA -0.408 nan 4.480 nan 0.000 0.263 299 M C 2.098 178.325 176.300 -0.121 0.000 1.063 299 M CA 4.055 59.293 55.300 -0.104 0.000 1.110 299 M CB -0.113 32.392 32.600 -0.160 0.000 1.374 299 M HN -0.453 7.801 8.290 -0.060 0.000 0.411 300 I N -0.481 119.998 120.570 -0.151 0.000 2.286 300 I HA -0.564 nan 4.170 nan 0.000 0.248 300 I C 1.971 178.044 176.117 -0.073 0.000 1.115 300 I CA 3.752 64.976 61.300 -0.126 0.000 1.392 300 I CB -0.376 37.553 38.000 -0.117 0.000 1.065 300 I HN -0.607 7.497 8.210 -0.177 0.000 0.418 301 M N -1.618 117.951 119.600 -0.052 0.000 2.132 301 M HA -0.339 nan 4.480 nan 0.000 0.263 301 M C 2.325 178.598 176.300 -0.044 0.000 1.065 301 M CA 4.010 59.286 55.300 -0.040 0.000 1.122 301 M CB -0.327 32.258 32.600 -0.024 0.000 1.365 301 M HN -0.460 7.689 8.290 -0.048 0.112 0.411 302 G N -1.225 107.548 108.800 -0.044 0.000 2.440 302 G HA2 -0.292 nan 3.960 nan 0.000 0.218 302 G HA3 -0.292 nan 3.960 nan 0.000 0.218 302 G C 1.910 176.786 174.900 -0.041 0.000 1.154 302 G CA 1.985 47.062 45.100 -0.039 0.000 0.767 302 G HN 0.009 8.194 8.290 -0.046 0.077 0.552 303 L N 0.519 121.711 121.223 -0.052 0.000 2.201 303 L HA -0.208 nan 4.340 nan 0.000 0.212 303 L C 1.631 178.476 176.870 -0.042 0.000 1.105 303 L CA 1.723 56.533 54.840 -0.050 0.000 0.775 303 L CB -0.140 41.880 42.059 -0.065 0.000 0.913 303 L HN 0.180 8.354 8.230 -0.063 0.018 0.440 304 G N -5.105 103.668 108.800 -0.044 0.000 2.920 304 G HA2 0.074 nan 3.960 nan 0.000 0.208 304 G HA3 0.074 nan 3.960 nan 0.000 0.208 304 G C -0.188 174.691 174.900 -0.035 0.000 1.159 304 G CA -0.496 44.579 45.100 -0.041 0.000 0.784 304 G HN -0.401 7.730 8.290 -0.049 0.130 0.535 305 G N -0.702 108.081 108.800 -0.029 0.000 3.134 305 G HA2 -0.122 nan 3.960 nan 0.000 0.195 305 G HA3 -0.122 nan 3.960 nan 0.000 0.195 305 G C -0.302 174.584 174.900 -0.025 0.000 1.054 305 G CA -0.741 44.348 45.100 -0.017 0.000 0.828 305 G HN -0.774 7.318 8.290 -0.032 0.179 0.462 306 G N 0.268 109.042 108.800 -0.044 0.000 2.877 306 G HA2 -0.339 nan 3.960 nan 0.000 0.279 306 G HA3 -0.339 nan 3.960 nan 0.000 0.279 306 G C -2.198 172.641 174.900 -0.102 0.000 1.431 306 G CA -0.203 44.863 45.100 -0.057 0.000 0.883 306 G HN 0.004 8.266 8.290 -0.047 0.000 0.547 307 M N -2.197 117.325 119.600 -0.130 0.000 2.446 307 M HA 0.697 nan 4.480 nan 0.000 0.294 307 M C -2.343 173.797 176.300 -0.266 0.000 1.158 307 M CA -1.016 54.125 55.300 -0.265 0.000 0.899 307 M CB 3.763 36.197 32.600 -0.276 0.000 1.687 307 M HN -0.001 8.234 8.290 -0.092 0.000 0.455 308 D N 2.871 123.026 120.400 -0.408 0.000 2.365 308 D HA 0.284 nan 4.640 nan 0.000 0.235 308 D C -1.632 174.494 176.300 -0.290 0.000 1.368 308 D CA 0.046 53.904 54.000 -0.237 0.000 1.001 308 D CB 1.869 42.605 40.800 -0.106 0.000 1.364 308 D HN 0.423 8.831 8.370 -0.557 -0.373 0.577 309 F N 1.818 121.744 119.950 -0.041 0.000 2.317 309 F HA -0.044 nan 4.527 nan 0.000 0.290 309 F C 0.047 175.830 175.800 -0.029 0.000 1.075 309 F CA 1.342 59.317 58.000 -0.042 0.000 1.380 309 F CB 0.934 39.914 39.000 -0.034 0.000 1.093 309 F HN 0.043 8.411 8.300 0.112 0.000 0.524 310 D N -1.407 119.110 120.400 0.196 0.000 2.471 310 D HA 0.265 nan 4.640 nan 0.000 0.245 310 D C -0.914 175.425 176.300 0.066 0.000 1.116 310 D CA -0.439 53.623 54.000 0.103 0.000 0.853 310 D CB 0.717 41.566 40.800 0.082 0.000 1.123 310 D HN -0.198 8.310 8.370 0.230 0.000 0.540 311 S N 2.072 117.801 115.700 0.049 0.000 2.785 311 S HA -0.048 nan 4.470 nan 0.000 0.286 311 S C 0.309 174.930 174.600 0.035 0.000 0.918 311 S CA 0.431 58.653 58.200 0.036 0.000 0.866 311 S CB 1.541 64.761 63.200 0.034 0.000 1.087 311 S HN -0.235 8.106 8.310 0.051 0.000 0.472 312 K N 4.224 124.640 120.400 0.027 0.000 2.189 312 K HA -0.247 nan 4.320 nan 0.000 0.207 312 K C 0.567 177.187 176.600 0.033 0.000 1.046 312 K CA 2.295 58.597 56.287 0.025 0.000 0.928 312 K CB -0.149 32.361 32.500 0.017 0.000 0.720 312 K HN 0.455 8.719 8.250 0.024 0.000 0.458 313 K N -2.609 117.816 120.400 0.042 0.000 2.397 313 K HA 0.060 nan 4.320 nan 0.000 0.202 313 K C -0.401 176.274 176.600 0.125 0.000 1.022 313 K CA -0.883 55.441 56.287 0.062 0.000 1.141 313 K CB 0.572 33.100 32.500 0.045 0.000 0.857 313 K HN -0.253 7.998 8.250 0.037 0.021 0.514 314 A N 0.353 123.227 122.820 0.089 0.000 2.498 314 A HA -0.092 nan 4.320 nan 0.000 0.239 314 A C -0.986 176.675 177.584 0.129 0.000 1.068 314 A CA 1.347 53.423 52.037 0.064 0.000 0.766 314 A CB 0.345 19.355 19.000 0.016 0.000 1.003 314 A HN -0.162 7.865 8.150 0.062 0.161 0.497 315 Y N -2.712 117.555 120.300 -0.054 0.000 2.648 315 Y HA 0.250 nan 4.550 nan 0.000 0.270 315 Y C -1.369 174.488 175.900 -0.071 0.000 1.043 315 Y CA -0.234 57.834 58.100 -0.053 0.000 1.238 315 Y CB 1.776 40.206 38.460 -0.051 0.000 1.385 315 Y HN 0.323 8.444 8.280 -0.265 0.000 0.569 316 R N -4.400 115.703 120.500 -0.662 0.000 2.495 316 R HA 0.215 nan 4.340 nan 0.000 0.299 316 R C -1.383 174.686 176.300 -0.384 0.000 0.902 316 R CA -0.133 55.653 56.100 -0.524 0.000 1.103 316 R CB 1.486 31.352 30.300 -0.723 0.000 1.750 316 R HN -0.119 7.725 8.270 -0.709 0.000 0.480 317 D N 0.797 120.963 120.400 -0.390 0.000 2.233 317 D HA 0.561 nan 4.640 nan 0.000 0.240 317 D C -0.380 175.938 176.300 0.030 0.000 1.074 317 D CA 0.133 53.936 54.000 -0.328 0.000 0.838 317 D CB 1.769 42.062 40.800 -0.844 0.000 1.124 317 D HN -0.363 7.737 8.370 -0.449 0.000 0.475 318 V N 3.391 123.446 119.914 0.236 0.000 2.656 318 V HA 0.328 nan 4.120 nan 0.000 0.307 318 V C -1.859 174.434 176.094 0.331 0.000 1.051 318 V CA -1.491 60.977 62.300 0.281 0.000 0.893 318 V CB 4.129 36.025 31.823 0.121 0.000 0.999 318 V HN 0.668 8.968 8.190 0.182 0.000 0.426 319 A N 4.879 127.765 122.820 0.110 0.000 2.343 319 A HA 0.702 nan 4.320 nan 0.000 0.316 319 A C -1.973 175.606 177.584 -0.009 0.000 1.104 319 A CA -1.201 50.753 52.037 -0.139 0.000 0.768 319 A CB 2.016 20.590 19.000 -0.711 0.000 1.213 319 A HN -0.060 8.156 8.150 0.111 0.000 0.456 320 W N 5.842 127.067 121.300 -0.126 0.000 2.336 320 W HA 0.294 nan 4.660 nan 0.000 0.315 320 W C -2.584 173.868 176.519 -0.111 0.000 1.016 320 W CA -1.099 56.186 57.345 -0.099 0.000 1.318 320 W CB 2.020 31.433 29.460 -0.078 0.000 1.247 320 W HN 0.954 9.232 8.180 0.164 0.000 0.414 321 L N 6.868 127.790 121.223 -0.501 0.000 2.275 321 L HA 0.532 nan 4.340 nan 0.000 0.288 321 L C -0.033 176.430 176.870 -0.678 0.000 1.046 321 L CA -0.558 54.035 54.840 -0.412 0.000 0.805 321 L CB -0.047 41.816 42.059 -0.325 0.000 1.193 321 L HN 0.224 8.078 8.230 -0.627 0.000 0.426 322 G N 2.674 111.289 108.800 -0.308 0.000 2.327 322 G HA2 -0.128 nan 3.960 nan 0.000 0.291 322 G HA3 -0.128 nan 3.960 nan 0.000 0.291 322 G C -2.594 172.390 174.900 0.140 0.000 1.290 322 G CA -0.362 44.625 45.100 -0.188 0.000 0.857 322 G HN -0.068 8.049 8.290 -0.090 0.119 0.520 323 E N -1.110 119.200 120.200 0.183 0.000 2.392 323 E HA 0.120 nan 4.350 nan 0.000 0.264 323 E C 1.274 177.993 176.600 0.198 0.000 1.024 323 E CA -0.237 56.255 56.400 0.152 0.000 0.903 323 E CB 0.835 30.603 29.700 0.112 0.000 0.963 323 E HN 0.160 8.612 8.360 0.152 0.000 0.432 324 C N 3.056 122.418 119.300 0.103 0.000 2.413 324 C HA -0.289 nan 4.460 nan 0.000 0.276 324 C C 1.689 176.659 174.990 -0.033 0.000 1.236 324 C CA 3.603 62.642 59.018 0.037 0.000 1.735 324 C CB -0.302 27.439 27.740 0.002 0.000 2.031 324 C HN 0.539 8.816 8.230 0.078 0.000 0.474 325 D N -0.962 119.438 120.400 0.001 0.000 2.116 325 D HA -0.323 nan 4.640 nan 0.000 0.193 325 D C 1.931 178.198 176.300 -0.055 0.000 0.998 325 D CA 4.045 58.038 54.000 -0.011 0.000 0.836 325 D CB -0.935 39.891 40.800 0.043 0.000 0.951 325 D HN 0.311 8.701 8.370 0.033 0.000 0.449 326 Q N -1.791 118.008 119.800 -0.000 0.000 2.124 326 Q HA -0.212 nan 4.340 nan 0.000 0.202 326 Q C 2.595 178.405 176.000 -0.317 0.000 0.977 326 Q CA 2.558 58.356 55.803 -0.008 0.000 0.850 326 Q CB -0.713 28.150 28.738 0.208 0.000 0.901 326 Q HN 0.239 8.545 8.270 0.061 0.000 0.429 327 G N -0.697 107.773 108.800 -0.550 0.000 2.402 327 G HA2 -0.319 nan 3.960 nan 0.000 0.216 327 G HA3 -0.319 nan 3.960 nan 0.000 0.216 327 G C 1.116 175.511 174.900 -0.842 0.000 1.162 327 G CA 2.008 46.300 45.100 -1.346 0.000 0.777 327 G HN -0.035 8.039 8.290 -0.182 0.106 0.539 328 C N 2.806 121.766 119.300 -0.566 0.000 2.446 328 C HA -0.200 nan 4.460 nan 0.000 0.277 328 C C 2.166 176.882 174.990 -0.456 0.000 1.275 328 C CA 3.865 62.485 59.018 -0.663 0.000 1.727 328 C CB -1.687 25.735 27.740 -0.531 0.000 2.010 328 C HN -0.037 7.944 8.230 -0.415 0.000 0.486 329 L N -0.408 120.652 121.223 -0.271 0.000 2.012 329 L HA -0.486 nan 4.340 nan 0.000 0.210 329 L C 1.993 178.755 176.870 -0.180 0.000 1.073 329 L CA 3.512 58.270 54.840 -0.137 0.000 0.748 329 L CB -0.582 41.434 42.059 -0.073 0.000 0.891 329 L HN 0.109 8.183 8.230 -0.261 0.000 0.431 330 A N -0.961 121.674 122.820 -0.310 0.000 1.902 330 A HA -0.300 nan 4.320 nan 0.000 0.217 330 A C 2.159 179.570 177.584 -0.288 0.000 1.181 330 A CA 3.036 54.899 52.037 -0.290 0.000 0.623 330 A CB -0.883 17.865 19.000 -0.420 0.000 0.818 330 A HN -0.106 7.709 8.150 -0.420 0.083 0.443 331 L N -1.691 119.296 121.223 -0.395 0.000 2.056 331 L HA -0.352 nan 4.340 nan 0.000 0.207 331 L C 1.874 178.635 176.870 -0.183 0.000 1.078 331 L CA 2.508 57.158 54.840 -0.317 0.000 0.749 331 L CB -0.142 41.660 42.059 -0.429 0.000 0.901 331 L HN -0.079 7.839 8.230 -0.521 0.000 0.433 332 A N -1.786 120.996 122.820 -0.064 0.000 1.908 332 A HA -0.427 nan 4.320 nan 0.000 0.218 332 A C 1.726 179.309 177.584 -0.002 0.000 1.181 332 A CA 3.412 55.539 52.037 0.149 0.000 0.627 332 A CB -1.063 18.147 19.000 0.349 0.000 0.818 332 A HN 0.324 8.370 8.150 -0.174 0.000 0.445 333 E N -0.764 119.416 120.200 -0.033 0.000 2.051 333 E HA -0.274 nan 4.350 nan 0.000 0.192 333 E C 2.886 179.439 176.600 -0.079 0.000 0.991 333 E CA 2.447 58.828 56.400 -0.033 0.000 0.799 333 E CB -0.413 29.266 29.700 -0.036 0.000 0.748 333 E HN -0.364 7.950 8.360 -0.058 0.011 0.449 334 L N -0.975 120.176 121.223 -0.121 0.000 2.191 334 L HA -0.270 nan 4.340 nan 0.000 0.212 334 L C 1.963 178.717 176.870 -0.193 0.000 1.103 334 L CA 2.705 57.467 54.840 -0.130 0.000 0.769 334 L CB 0.064 42.047 42.059 -0.127 0.000 0.908 334 L HN -0.501 7.650 8.230 -0.131 0.000 0.438 335 L N -5.774 115.246 121.223 -0.338 0.000 2.558 335 L HA -0.002 nan 4.340 nan 0.000 0.225 335 L C 0.234 176.836 176.870 -0.447 0.000 1.128 335 L CA -0.034 54.451 54.840 -0.592 0.000 0.868 335 L CB 0.165 41.428 42.059 -1.326 0.000 1.006 335 L HN -0.517 7.380 8.230 -0.318 0.142 0.454 336 G N -2.999 105.695 108.800 -0.178 0.000 2.136 336 G HA2 -0.263 nan 3.960 nan 0.000 0.242 336 G HA3 -0.263 nan 3.960 nan 0.000 0.242 336 G C 0.369 175.424 174.900 0.258 0.000 0.989 336 G CA 0.647 45.768 45.100 0.036 0.000 0.682 336 G HN -0.437 7.572 8.290 -0.160 0.185 0.522 337 W N -2.171 119.143 121.300 0.024 0.000 3.127 337 W HA 0.306 nan 4.660 nan 0.000 0.344 337 W C 0.121 176.659 176.519 0.031 0.000 1.151 337 W CA -3.210 54.149 57.345 0.023 0.000 1.765 337 W CB -0.537 28.941 29.460 0.030 0.000 1.085 337 W HN 0.387 8.564 8.180 0.060 0.038 0.596 338 K N 1.514 122.047 120.400 0.221 0.000 2.020 338 K HA -0.542 nan 4.320 nan 0.000 0.212 338 K C 1.155 177.816 176.600 0.103 0.000 1.050 338 K CA 4.447 60.818 56.287 0.140 0.000 0.929 338 K CB -0.584 31.963 32.500 0.078 0.000 0.714 338 K HN -0.338 8.018 8.250 0.177 0.000 0.443 339 K N -2.025 118.424 120.400 0.083 0.000 2.026 339 K HA -0.330 nan 4.320 nan 0.000 0.208 339 K C 1.934 178.553 176.600 0.031 0.000 1.048 339 K CA 3.323 59.638 56.287 0.046 0.000 0.929 339 K CB -0.680 31.843 32.500 0.037 0.000 0.713 339 K HN 0.070 8.375 8.250 0.093 0.000 0.439 340 E N -0.263 119.961 120.200 0.040 0.000 2.077 340 E HA -0.279 nan 4.350 nan 0.000 0.193 340 E C 2.385 178.978 176.600 -0.013 0.000 0.989 340 E CA 2.765 59.160 56.400 -0.008 0.000 0.800 340 E CB -0.259 29.412 29.700 -0.049 0.000 0.746 340 E HN -0.300 8.103 8.360 0.072 0.000 0.452 341 L N -0.517 120.736 121.223 0.049 0.000 2.027 341 L HA -0.339 nan 4.340 nan 0.000 0.206 341 L C 1.536 178.411 176.870 0.009 0.000 1.074 341 L CA 3.232 58.111 54.840 0.066 0.000 0.745 341 L CB -0.186 41.987 42.059 0.191 0.000 0.898 341 L HN 0.033 8.324 8.230 0.102 0.000 0.433 342 E N -1.917 118.291 120.200 0.013 0.000 2.106 342 E HA -0.429 nan 4.350 nan 0.000 0.192 342 E C 2.233 178.786 176.600 -0.078 0.000 0.984 342 E CA 3.121 59.505 56.400 -0.026 0.000 0.806 342 E CB -0.809 28.890 29.700 -0.002 0.000 0.750 342 E HN 0.051 8.435 8.360 0.040 0.000 0.458 343 D N 0.737 121.098 120.400 -0.066 0.000 2.178 343 D HA -0.163 nan 4.640 nan 0.000 0.202 343 D C 2.347 178.563 176.300 -0.140 0.000 0.974 343 D CA 2.812 56.761 54.000 -0.085 0.000 0.841 343 D CB -0.282 40.484 40.800 -0.057 0.000 0.953 343 D HN -0.152 8.195 8.370 -0.038 0.000 0.478 344 L N 0.557 121.685 121.223 -0.160 0.000 2.046 344 L HA -0.267 nan 4.340 nan 0.000 0.208 344 L C 1.633 178.211 176.870 -0.487 0.000 1.077 344 L CA 3.309 58.005 54.840 -0.240 0.000 0.747 344 L CB -0.255 41.702 42.059 -0.170 0.000 0.896 344 L HN -0.155 7.898 8.230 -0.115 0.108 0.432 345 V N -0.377 119.226 119.914 -0.518 0.000 2.261 345 V HA -0.537 nan 4.120 nan 0.000 0.246 345 V C 2.097 177.798 176.094 -0.656 0.000 1.047 345 V CA 4.671 66.488 62.300 -0.805 0.000 1.015 345 V CB -1.031 30.516 31.823 -0.460 0.000 0.642 345 V HN -0.010 7.990 8.190 -0.317 0.000 0.446 346 R N -1.010 119.277 120.500 -0.354 0.000 2.081 346 R HA -0.406 nan 4.340 nan 0.000 0.235 346 R C 1.996 178.218 176.300 -0.129 0.000 1.131 346 R CA 3.710 59.692 56.100 -0.197 0.000 0.960 346 R CB -0.156 30.079 30.300 -0.107 0.000 0.856 346 R HN -0.354 7.746 8.270 -0.284 0.000 0.436 347 R N -1.188 119.223 120.500 -0.150 0.000 2.075 347 R HA -0.303 nan 4.340 nan 0.000 0.232 347 R C 2.588 178.848 176.300 -0.066 0.000 1.126 347 R CA 3.415 59.461 56.100 -0.091 0.000 0.963 347 R CB -0.188 30.057 30.300 -0.092 0.000 0.858 347 R HN 0.035 8.192 8.270 -0.188 0.000 0.435 348 E N -1.644 118.472 120.200 -0.141 0.000 2.107 348 E HA -0.225 nan 4.350 nan 0.000 0.191 348 E C 2.793 179.477 176.600 0.139 0.000 0.982 348 E CA 2.470 58.854 56.400 -0.026 0.000 0.809 348 E CB -0.642 28.993 29.700 -0.109 0.000 0.756 348 E HN -0.067 8.123 8.360 -0.283 0.000 0.459 349 H N 0.115 119.152 119.070 -0.055 0.000 2.353 349 H HA -0.200 nan 4.556 nan 0.000 0.300 349 H C 2.126 177.462 175.328 0.013 0.000 1.090 349 H CA 2.562 58.623 56.048 0.021 0.000 1.327 349 H CB -0.603 29.169 29.762 0.017 0.000 1.383 349 H HN 0.108 8.378 8.280 -0.017 0.000 0.508 350 A N -1.311 121.582 122.820 0.123 0.000 1.902 350 A HA -0.314 nan 4.320 nan 0.000 0.217 350 A C 2.254 179.867 177.584 0.048 0.000 1.181 350 A CA 3.211 55.286 52.037 0.063 0.000 0.623 350 A CB -1.051 17.968 19.000 0.032 0.000 0.818 350 A HN -0.114 8.004 8.150 0.095 0.089 0.443 351 S N -1.121 114.609 115.700 0.051 0.000 2.368 351 S HA -0.273 nan 4.470 nan 0.000 0.225 351 S C 2.178 176.807 174.600 0.048 0.000 1.030 351 S CA 3.229 61.456 58.200 0.045 0.000 0.999 351 S CB -0.233 62.996 63.200 0.050 0.000 0.844 351 S HN -0.497 7.764 8.310 0.053 0.081 0.459 352 I N 1.507 122.116 120.570 0.066 0.000 2.226 352 I HA -0.463 nan 4.170 nan 0.000 0.245 352 I C 1.491 177.615 176.117 0.012 0.000 1.100 352 I CA 3.634 64.961 61.300 0.044 0.000 1.374 352 I CB -0.180 37.848 38.000 0.045 0.000 1.057 352 I HN -0.061 8.109 8.210 0.092 0.095 0.413 353 D N -0.164 120.243 120.400 0.013 0.000 2.218 353 D HA -0.182 nan 4.640 nan 0.000 0.204 353 D C 1.374 177.673 176.300 -0.002 0.000 0.976 353 D CA 2.666 56.665 54.000 -0.002 0.000 0.853 353 D CB -0.190 40.613 40.800 0.006 0.000 0.939 353 D HN -0.278 8.038 8.370 0.030 0.072 0.481 354 A N -2.320 120.504 122.820 0.008 0.000 2.066 354 A HA -0.223 nan 4.320 nan 0.000 0.218 354 A C 0.110 177.695 177.584 0.001 0.000 1.157 354 A CA 2.133 54.174 52.037 0.006 0.000 0.670 354 A CB 0.341 19.348 19.000 0.012 0.000 0.804 354 A HN -0.317 7.715 8.150 0.017 0.128 0.453 355 Q N -6.686 113.116 119.800 0.002 0.000 3.737 355 Q HA -0.156 nan 4.340 nan 0.000 0.198 355 Q C 0.055 176.061 176.000 0.010 0.000 0.654 355 Q CA -0.135 55.666 55.803 -0.004 0.000 1.211 355 Q CB -1.651 27.081 28.738 -0.009 0.000 0.687 355 Q HN 0.038 8.313 8.270 0.008 0.000 1.166 356 S N 0.000 115.715 115.700 0.025 0.000 2.498 356 S HA 0.000 nan 4.470 nan 0.000 0.327 356 S CA 0.000 58.225 58.200 0.041 0.000 1.107 356 S CB 0.000 63.232 63.200 0.053 0.000 0.593 356 S HN 0.000 8.326 8.310 0.027 0.000 0.517